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 ### CCP4 6.3: Refmac_5.7.0032     version 5.7.0032 : 05/09/12##
 ###############################################################
 User: unknown  Run date: 24/ 4/2013 Run time: 19:32:38 


 Please reference: Collaborative Computational Project, Number 4. 1994.
 "The CCP4 Suite: Programs for Protein Crystallography". Acta Cryst. D50, 760-763.
 as well as any specific reference in the program write-up.


 $TEXT:Reference1: $$ Main reference $$ 
   "REFMAC5 for the refinement of macromolecular crystal structures:"
   G.N.Murshudov, P.Skubak, A.A.Lebedev, N.S.Pannu, R.A.Steiner, R.A.Nicholls, M.D.Winn, F.Long and A.A.Vagin,(2011) 
   Acta Crystallogr. D67, 355-367

 $$
 $SUMMARY :Reference1:  $$ Refmac: $$
 :TEXT:Reference1: $$

 $TEXT:Reference2: $$ Secondary reference $$ 
   "Refinement of Macromolecular Structures by the  Maximum-Likelihood Method:"
   G.N. Murshudov, A.A.Vagin and E.J.Dodson,(1997)
   Acta Crystallogr. D53, 240-255
   EU  Validation contract: BIO2CT-92-0524

 $$
 $SUMMARY :Reference2:  $$ Refmac: $$
 :TEXT:Reference2: $$

  Data line--- make check NONE
  Data line--- make     hydrogen ALL     hout NO     peptide NO     cispeptide YES     ssbridge YES     symmetry YES     sugar YES     connectivity NO     link NO     newligand continue
  Data line--- NCSR LOCAL
  Data line--- refi     type REST     resi MLKF     meth CGMAT     bref ISOT
  Data line--- ncyc 300
  Data line--- weight     MATRIX 0.005
  Data line--- ridg dist sigma 0.05
  Data line--- scal     type SIMP     LSSC     ANISO     EXPE
  Data line--- solvent YES
  Data line--- monitor MEDIUM     torsion 10.0     distance 10.0     angle 10.0     plane 10.0     chiral 10.0     bfactor 10.0     bsphere 10.0     rbond 10.0     ncsr 10.0
  Data line--- labin  FP=F_sls SIGFP=SIGF_sls FREE=FreeR_flag
  Data line--- labout  FC=FC FWT=FWT PHIC=PHIC PHWT=PHWT DELFWT=DELFWT PHDELWT=PHDELWT FOM=FOM
  Data line--- NOHARVEST
  Data line--- END

 OPENED INPUT MTZ FILE 
 Logical Name: HKLIN   Filename: tpp_tutorial_data.mtz 


 Spacegroup information obtained from library file: 
 Logical Name: SYMINFO   Filename: /xtal/Suites/CCP4/ccp4-6.3.0/lib/data/syminfo.lib


    ****                     Input and Default parameters#                      ****


Input coordinate file.  Logical name - XYZIN actual file name  - 1dbi_ssm-AB.pdb
Output coordinate file. Logical name - XYZOUT actual file name - refmac_prosmart.pdb
Input reflection file.  Logical name - HKLIN actual file name  - tpp_tutorial_data.mtz
Output reflection file. Logical name - HKLOUT actual file name - refmac_prosmart.mtz

Cell from mtz :   113.450   128.930   100.500    90.000    90.000    90.000
Space group from mtz: number -   18; name - P 21 21 2

  Refinement type                        : Restrained


    ****                           Makecif parameters                           ****

Dictionary files for restraints : /xtal/Suites/CCP4/ccp4-6.3.0/lib/data/monomers/mon*cif
Parameters for new entry and VDW: /xtal/Suites/CCP4/ccp4-6.3.0/lib/data/monomers/ener_lib.cif
    Program will rely on residue and atom names. No checking
    If this option is used then monomers should be checked carefully before using
    Hydrogens will be restored in their riding positions
    Links between monomers will be checked. Only those links present in the coordinate file will be used
    All links to sugar will be analysed and used
    For new ligands "ideal restraint" values will be taken from the energetic libary ener_lib.cif
    Symmetry related links will be analysed and used
    Cis peptides will be found and used automatically


  Residual                               : Rice Maximum Likelihood for Fs

    ****                    Least-square scaling parameters                     ****

Overall scale
Overall B value
Overall anisotropic B with tr(B) = 0.0
Constant bulk solvent in non protein region
Probe radii for non-ions     1.200
Probe radii for ions         0.800
Shrinkage of the mask  by    0.800


    ****                 Map sharpening parameters and methods                  ****

No map sharpening will be performed

  Method of minimisation                 : Sparse Matrix
  Experimental sigmas used for weighting
  Number of Bins and width:    20       0.0091
  Refinement of individual isotropic Bfactors
  Refinement resln        :    42.6014  2.3500
  Estimated number of reflections :      81119
  Free R exclusion - flag equals:     0
  Weighting by comparison of trace of matrix
  Weighting parameters   :     0.0050
  Refinement cycles       :   300
  Scaling type                           :
          Wilson using 1 Gaussian

  Estimation of D/Sigma in resolution bins
  using  free set of reflns with experimental sigmas
  using  free set of reflns with experimental sigmas

  Scaling and SigmaA resln:    42.6014  2.3500

  Damping factors:     1.0000  1.0000


    ****                    Geometry restraints and weights                     ****


                                              Sigma:
 Bonding distances
          Weight =  1.00

 Bond angles
          Weight =  1.00

 Planar groups
          WEIGHT= 1.00

 Chiral centers
          Weight= 1.00

 NON-BONDED CONTACTS
          Overall weight                          =  1.00
          Sigma for simple VDW                    =  0.20
          Sigma for VDW trhough torsion angle     =  0.20
          Sigma for HBOND                         =  0.20
          Sigma for metal-ion                     =  0.20
          Sigma for DUMMY and other atom          =  0.30
          Distance for donor-accepetor = vdw1+vdw2+(-0.30)
          Distance for acceptor - H    = vdw1+     ( 0.10)
          VDW distance through torsion = vdw1+vdw2+(-0.30)
          Distance for DUMMY-others    = vdw1+vdw2+(-0.70)

 TORSION ANGLES
          Weight= 1.00

 THERMAL FACTORS
          Weight= 1.00
     Main chain bond (1-2 neighbour)          1.5A**2
     Main chain angle (1-3 neighbour)         2.0A**2
     Side chain bond                          3.0A**2
     Side chain angle                         4.5A**2

 NCS will defined automatically and applied

    ****                          Alignment parameters                          ****

     Alignment leve                   80.000%
     Aligment cut                    2.000A
     Iterative aligment              N

    ****                          Local NCS parameters                          ****

     Maximum distance                 4.2000A
     Maximum difference of distances  1.0000A
     Geman-Mcclure parameter          0.1000
     Weights
                       sigx =   0.0500                         if dist1+dist2<8.0
                       sigx =   0.0500*sqrt((dist1+dist2)/8.0) if dist1+dist2>=8.0

 RESTRAINTS AGAINST EXCESSIVE SHIFTS
     Positional parameters                   0.00A
     Thermal parameters                      0.00A
     Occupancy parameters                    0.00

 RADIUS OF CONFIDENCE
     Positional parameters 0.00A
     Thermal parameters    0.00A**2
     Occupancy parameters  0.00

Restraints on changes of interatomic distances is appplied

    ****                    Distance shift penlty parameters                    ****

     Sigma:           0.0500
     Maximum distance 4.2000

Monitoring style is "MEDIUM". Complete information will be printed out in the
first and last cycle. In all other cycles minimum information will be printed out
Sigma cutoffs for printing out outliers
If deviation of restraint parameter > alpha*sigma then information will be printed out
Distance outliers      10.000
Angle outliers         10.000
Torsion outliers       10.000
Chiral volume outliers 10.000
Plane outliers         10.000
Non-bonding outliers   10.000
B value  outliers      10.000
---------------------------------------------------------------

 Input file :1dbi_ssm-AB.pdb
  ------------------------------
  ---  LIBRARY OF MONOMERS   ---
 _lib_name         mon_lib
 _lib_version      5.39
 _lib_update       06/11/12
  ------------------------------
  NUMBER OF MONOMERS IN THE LIBRARY          : 11462
                with complete description    : 11462
  NUMBER OF MODIFICATIONS                    :    53
  NUMBER OF LINKS                            :    66
  I am reading libraries. Please wait.
      - energy parameters
      - monomer"s description (links & mod )

FORMATTED      OLD     file opened on unit  45

Logical name: ATOMSF, Filename: /xtal/Suites/CCP4/ccp4-6.3.0/lib/data/atomsf.lib


  Number of atoms    :    4062
  Number of residues :     542
  Number of chains   :       2
  I am reading library. Please wait.
                mon_lib.cif
  WARNING : link:SS       is found dist =     2.035 ideal_dist=     2.031
            ch:AA   res: 137  CYS              at:SG  .->AA   res: 139  CYS              at:SG  .
  WARNING : link:SS       is found dist =     2.035 ideal_dist=     2.031
            ch:BB   res: 137  CYS              at:SG  .->BB   res: 139  CYS              at:SG  .
  --------------------------------
  --- title of input coord file ---

  PDB_code:1DBI
  PDB_name:HYDROLASE
  PDB_date:02-NOV-99
  --------------------------------
  ATTENTION: atom:CG   GLN                 9  AA   is missing in the structure
  ATTENTION: atom:CD   GLN                 9  AA   is missing in the structure
  ATTENTION: atom:OE1  GLN                 9  AA   is missing in the structure
  ATTENTION: atom:NE2  GLN                 9  AA   is missing in the structure
  ATTENTION: atom:CG   ASP               106  AA   is missing in the structure
  ATTENTION: atom:OD1  ASP               106  AA   is missing in the structure
  ATTENTION: atom:OD2  ASP               106  AA   is missing in the structure
  ATTENTION: atom:CG   ARG               107  AA   is missing in the structure
  ATTENTION: atom:CD   ARG               107  AA   is missing in the structure
  ATTENTION: atom:NE   ARG               107  AA   is missing in the structure
  ATTENTION: atom:CZ   ARG               107  AA   is missing in the structure
  ATTENTION: atom:NH1  ARG               107  AA   is missing in the structure
  ATTENTION: atom:NH2  ARG               107  AA   is missing in the structure
  ATTENTION: atom:CG   ASN               108  AA   is missing in the structure
  ATTENTION: atom:OD1  ASN               108  AA   is missing in the structure
  ATTENTION: atom:ND2  ASN               108  AA   is missing in the structure
  ATTENTION: atom:CG   GLN                 9  BB   is missing in the structure
  ATTENTION: atom:CD   GLN                 9  BB   is missing in the structure
  ATTENTION: atom:OE1  GLN                 9  BB   is missing in the structure
  ATTENTION: atom:NE2  GLN                 9  BB   is missing in the structure
   ... and more ...
  Number of chains                  :       2
  Total number of monomers          :     542
  Number of atoms                   :    7972
  Number of missing atoms           :      32
  Number of rebuilt atoms           :    3848
  Number of unknown atoms           :       0
  Number of deleted atoms           :       0


                                             ********* Alignment results *********
 -----------------------------------------------------------------------------------------------------------------------
:      Ncsr group :        Chain 1 :        Chain 2 :  No of aligned :          Score :           RMS  :    Ave(RmsLoc) : 
 -----------------------------------------------------------------------------------------------------------------------
:               1 : A(   1 - 280 ) : B(   1 - 280 ) :            271 :         1.0000 :         0.2221 :         0.0642 : 
 -----------------------------------------------------------------------------------------------------------------------

--------------------------------------------------------------------------------

    ****                Assign all residues to one of the chains                ****

--------------------------------------------------------------------------------

     The program will use local ncs restraints
     I.e. corresonding distances between ncs related molecules will be restrained.
     Covalent bonds and angles will not be included in these restraints.
 ----------------------------------------------------------------------------------------------



 loop_
     _atom_type_symbol
     _atom_type_scat_Cromer_Mann_a1
     _atom_type_scat_Cromer_Mann_b1
     _atom_type_scat_Cromer_Mann_a2
     _atom_type_scat_Cromer_Mann_b2
     _atom_type_scat_Cromer_Mann_a3
     _atom_type_scat_Cromer_Mann_b3
     _atom_type_scat_Cromer_Mann_a4
     _atom_type_scat_Cromer_Mann_b4
     _atom_type_scat_Cromer_Mann_c


  N     12.2126   0.0057   3.1322   9.8933   2.0125  28.9975   1.1663   0.5826 -11.5290
  C      2.3100  20.8439   1.0200  10.2075   1.5886   0.5687   0.8650  51.6512   0.2156
  H      0.4930  10.5109   0.3229  26.1257   0.1402   3.1424   0.0408  57.7997   0.0030
  O      3.0485  13.2771   2.2868   5.7011   1.5463   0.3239   0.8670  32.9089   0.2508
  S      6.9053   1.4679   5.2034  22.2151   1.4379   0.2536   1.5863  56.1720   0.8669



--------------------------------------------------------------------------------
 External restraints group   :            1
 External restraints file    :input_keywords
 Fail if one of the atoms involved in the restraints is missing in the pdb file
 Use restraints for all defined atoms
 Ignore restraints if abs(dmod-drest) >    50.000000     *sigma
 Ignore retraints if input dist >   1.00000003E+32
 Weight scale sigmas         :   500.00000    
 Weight min sigma            :   0.0000000    
 Weight max sigma            :   100.00000    
 GM parameter                :  0.10000000    
 Number of distances         :       23442
 Number of angles            :           0
 Number of torsions          :           0
 Number of planes            :           0
 Number of chirals           :           0
 Number of intervals         :           0
--------------------------------------------------------------------------------
---------------------------------------
                        Standard  External       All
                Bonds:      7862     23442     31304
               Angles:     14170         0     14170
              Chirals:       644         0       644
               Planes:      1324         0      1324
             Torsions:      3220         0      3220
---------------------------------------


    ****                           Info from mtz file                           ****

FreeR flag                            0
Number of "free" reflections       3167
Number of   all  reflections      62056
--------------------------------------------------------------------------------
 Number of reflections in file      62056
 Number of reflections read          62056


     CGMAT cycle number =      1

    ****                         Bond distance outliers                         ****

Bond distance deviations from the ideal >10.000Sigma will be monitored

A     36 ALA CA  . - A    132 ASN N   . mod.= 4.897 id.= 4.899 dev=  0.002 sig.= 0.000
A     36 ALA C   . - A    132 ASN N   . mod.= 4.030 id.= 4.032 dev=  0.002 sig.= 0.000
A     37 VAL C   . - A    100 LEU C   . mod.= 5.304 id.= 5.306 dev=  0.002 sig.= 0.000
A     39 ASP N   . - A    102 VAL N   . mod.= 5.397 id.= 5.399 dev=  0.002 sig.= 0.000
A     62 ASN N   . - A     63 ASP CA  . mod.= 4.338 id.= 4.340 dev=  0.002 sig.= 0.000
A     62 ASN CA  . - A     63 ASP CA  . mod.= 3.782 id.= 3.784 dev=  0.002 sig.= 0.000
A     75 HIS CA  . - A     78 GLY C   . mod.= 5.913 id.= 5.915 dev=  0.002 sig.= 0.000
A     77 ALA N   . - A     77 ALA O   . mod.= 3.499 id.= 3.501 dev=  0.002 sig.= 0.000
A     77 ALA N   . - A     79 ILE C   . mod.= 5.741 id.= 5.743 dev=  0.002 sig.= 0.000
A     77 ALA N   . - A     80 ALA CA  . mod.= 5.744 id.= 5.747 dev=  0.002 sig.= 0.000
A     77 ALA CA  . - A     79 ILE C   . mod.= 5.601 id.= 5.603 dev=  0.002 sig.= 0.000
A    120 ILE N   . - A    121 ILE CA  . mod.= 4.216 id.= 4.218 dev=  0.002 sig.= 0.000
A    120 ILE CA  . - A    121 ILE CA  . mod.= 3.828 id.= 3.830 dev=  0.002 sig.= 0.000
A    131 ILE N   . - A    132 ASN C   . mod.= 5.814 id.= 5.816 dev=  0.002 sig.= 0.000
A    138 ASP C   . - A    139 CYS C   . mod.= 3.065 id.= 3.067 dev=  0.002 sig.= 0.000
A    138 ASP C   . - A    140 HIS C   . mod.= 5.997 id.= 5.999 dev=  0.002 sig.= 0.000
A    138 ASP O   . - A    140 HIS C   . mod.= 5.796 id.= 5.798 dev=  0.002 sig.= 0.000
A    148 VAL O   . - A    151 ALA N   . mod.= 3.230 id.= 3.232 dev=  0.002 sig.= 0.000
A    150 TYR N   . - A    153 ASN CA  . mod.= 5.486 id.= 5.488 dev=  0.002 sig.= 0.000
A    178 ASN O   . - A    180 ILE CA  . mod.= 5.607 id.= 5.609 dev=  0.002 sig.= 0.000
A    229 SER O   . - A    233 ALA C   . mod.= 5.154 id.= 5.157 dev=  0.002 sig.= 0.000
A    232 VAL N   . - A    234 GLY C   . mod.= 5.578 id.= 5.580 dev=  0.002 sig.= 0.000
A    239 LEU O   . - A    243 GLY O   . mod.= 5.818 id.= 5.820 dev=  0.002 sig.= 0.000
A    247 ILE CA  . - A    250 ARG C   . mod.= 5.798 id.= 5.800 dev=  0.002 sig.= 0.000
A    248 GLU N   . - A    250 ARG C   . mod.= 5.605 id.= 5.607 dev=  0.002 sig.= 0.000
A    273 ASN C   . - A    275 TYR O   . mod.= 5.774 id.= 5.776 dev=  0.002 sig.= 0.000
B      5 ASP O   . - B     88 THR C   . mod.= 5.921 id.= 5.924 dev=  0.002 sig.= 0.000
B      6 THR N   . - B     88 THR C   . mod.= 4.113 id.= 4.115 dev=  0.002 sig.= 0.000
B      6 THR N   . - B     90 ILE CA  . mod.= 5.637 id.= 5.640 dev=  0.002 sig.= 0.000
B      8 TYR CA  . - B     10 GLY CA  . mod.= 5.811 id.= 5.813 dev=  0.002 sig.= 0.000
B      8 TYR C   . - B     10 GLY CA  . mod.= 4.693 id.= 4.696 dev=  0.002 sig.= 0.000
B      9 GLN CA  . - B     10 GLY CA  . mod.= 3.753 id.= 3.755 dev=  0.002 sig.= 0.000
B     57 TYR CA  . - B     58 ASP O   . mod.= 4.991 id.= 4.993 dev=  0.002 sig.= 0.000
B     76 VAL O   . - B     79 ILE O   . mod.= 5.181 id.= 5.184 dev=  0.002 sig.= 0.000
B     80 ALA CA  . - B    230 PRO C   . mod.= 4.223 id.= 4.225 dev=  0.002 sig.= 0.000
B     80 ALA CA  . - B    231 HIS CA  . mod.= 5.630 id.= 5.632 dev=  0.002 sig.= 0.000
B     81 ALA O   . - B     94 ALA C   . mod.= 5.595 id.= 5.597 dev=  0.002 sig.= 0.000
B    118 ASP CA  . - B    122 TYR N   . mod.= 5.164 id.= 5.166 dev=  0.002 sig.= 0.000
B    163 GLY O   . - B    165 ASN CA  . mod.= 5.199 id.= 5.201 dev=  0.002 sig.= 0.000
B    164 ASN N   . - B    165 ASN CA  . mod.= 4.797 id.= 4.799 dev=  0.002 sig.= 0.000
B    164 ASN CA  . - B    165 ASN O   . mod.= 4.690 id.= 4.692 dev=  0.002 sig.= 0.000
B    207 GLY O   . - B    223 SER O   . mod.= 4.694 id.= 4.696 dev=  0.002 sig.= 0.000
B    229 SER C   . - B    234 GLY N   . mod.= 5.972 id.= 5.974 dev=  0.002 sig.= 0.000
B    229 SER O   . - B    234 GLY N   . mod.= 5.166 id.= 5.168 dev=  0.002 sig.= 0.000
B    230 PRO CA  . - B    233 ALA C   . mod.= 5.128 id.= 5.130 dev=  0.002 sig.= 0.000
B    230 PRO CA  . - B    234 GLY N   . mod.= 4.714 id.= 4.716 dev=  0.002 sig.= 0.000
B    232 VAL N   . - B    234 GLY C   . mod.= 5.578 id.= 5.580 dev=  0.002 sig.= 0.000

    ****                          Bond angle outliers                           ****

Bond angle deviations from the ideal >10.000Sigma will be monitored

A     31 SER HB2   - A     31 SER OG  B mod.=  78.71 id.= 109.00 dev= 30.290 sig.=  3.000
A     31 SER HB3   - A     31 SER OG  B mod.=  33.62 id.= 109.00 dev= 75.376 sig.=  3.000
A    143 THR HB    - A    143 THR CG2 B mod.=  19.35 id.= 108.00 dev= 88.654 sig.=  3.000
B     31 SER HB2   - B     31 SER OG  B mod.=  78.80 id.= 109.00 dev= 30.198 sig.=  3.000
B     31 SER HB3   - B     31 SER OG  B mod.=  33.58 id.= 109.00 dev= 75.425 sig.=  3.000
B    143 THR HB    - B    143 THR CG2 B mod.=  19.46 id.= 108.00 dev= 88.536 sig.=  3.000


 Limits of asymmetric unit      : 1.00 1.00 0.50
 Grid spacing to be used        :   192  216  180
 Maximuum H,K,L                 :    49   55   43
 Minimum acceptable grid spacing:   123  140  109
 Limits of asymmetric unit      : 1.00 1.00 0.50
 Grid spacing to be used        :   192  216  180
 Maximuum H,K,L                 :    49   55   43
 Minimum acceptable grid spacing:   123  140  109
 fast hessian tabulation
 Weight matrix   4.99999989E-03
 Actual weight    559.46674      is applied to the X-ray term
Norm of X_ray positional gradient                209.
Norm of Geom. positional gradient                56.5
Norm of X_ray B-factor gradient                  341.
Norm of Geom. B-factor gradient                  774.
Product of X_ray and Geom posit. gradients     -0.522E+07
 Cosine of angle between them                      -0.019
Product of X_ray and Geom B-fact gradients      0.596E+08
 Cosine of angle between them                       0.029


Residuals: XRAY=     0.1875E+09 GEOM=     0.7715E+05 TOTAL=     0.1876E+09
 function value   1.87584656E+08

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.014     0.020
Bond distances: others                         3716     0.000     0.020
External distances: refined atoms             23442     0.001     0.010
Bond angles  : refined atoms                   5674     1.799     1.925
Bond angles  : others                          8496     4.516     3.001
Torsion angles, period  1. refined              538     3.685     5.000
Torsion angles, period  2. refined              190    32.629    25.158
Torsion angles, period  3. refined              580    14.633    15.000
Torsion angles, period  3. others                 4    10.779    15.000
Torsion angles, period  4. refined               14    20.269    15.000
Chiral centres: refined atoms                   644     0.157     0.200
Planar groups: refined atoms                   4920     0.014     0.020
Planar groups: others                           970     0.020     0.020
VDW repulsions: refined_atoms                   583     0.102     0.200
VDW repulsions.others                          3315     0.243     0.200
VDW; torsion: refined_atoms                    2045     0.180     0.200
VDW; torsion.others                            1999     0.130     0.200
HBOND: refined_atoms                             78     0.083     0.200
M. chain bond B values: refined atoms          2164     3.323     1.222
M. chain bond B values: others                 2163     3.308     1.222
M. chain angle B values: refined atoms         2698     4.146     1.766
M. chain angle B values: others                2699     4.151     1.766
S. chain bond B values: refined atoms          1982     6.088     1.537
S. chain bond B values: others                 1982     6.088     1.537
S. chain angle B values: refined atoms         2976     6.948     2.115
S. chain angle B values: others                2976     6.947     2.115
Long range B values: refined atoms            35119     5.636    13.390
Long range B values: others                   35117     5.636    13.390
ncsr local: group    1                        16805     0.041     0.050
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    0.992, B  =  42.918
Partial structure    1: scale =    0.374, B  =  76.309
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------

    ****                Things for loggraph, R factor and others                ****


$TABLE: Cycle    1. Rfactor analysis, F distribution v resln  :
$GRAPHS:Cycle    1.  v. resln :N:1,6,7,11,12:
:Cycle    1.  and  v. resln :N:1,4,5,9,10:
:Cycle    1. % observed v. resln :N:1,3:
$$
M(4SSQ/LL) NR_used %_obs M(Fo_used) M(Fc_used) Rf_used WR_used
NR_free M(Fo_free) M(Fc_free) Rf_free   WR_free $$
$$
 0.005     741  91.81   811.3   523.9  0.58  0.67      33   823.5   568.2  0.47  0.50
 0.014    1292  99.85   697.7   527.7  0.56  0.64      85   623.3   518.8  0.61  0.72
 0.023    1633 100.00   485.0   389.2  0.56  0.61      83   509.2   335.5  0.56  0.59
 0.032    1891 100.00   461.8   369.2  0.58  0.61     106   459.1   382.1  0.62  0.67
 0.041    2139  99.96   496.5   402.7  0.57  0.60     114   452.8   384.0  0.56  0.59
 0.050    2358 100.00   489.6   393.0  0.55  0.57     119   445.5   362.9  0.56  0.56
 0.059    2542 100.00   421.7   326.3  0.57  0.57     137   395.8   323.5  0.54  0.50
 0.068    2721 100.00   349.5   264.8  0.57  0.55     135   321.4   262.7  0.57  0.52
 0.077    2868 100.00   299.4   220.8  0.56  0.52     148   295.9   234.2  0.52  0.51
 0.086    3066  99.97   250.7   182.6  0.56  0.52     149   258.1   172.0  0.56  0.52
 0.095    3184 100.00   208.8   145.9  0.56  0.53     159   211.2   145.2  0.54  0.52
 0.104    3330 100.00   167.5   123.1  0.56  0.53     172   153.7   113.6  0.57  0.53
 0.113    3447 100.00   143.7   110.0  0.56  0.52     190   152.9   116.6  0.55  0.53
 0.122    3609 100.00   116.8    95.5  0.55  0.52     185   121.7    84.7  0.53  0.52
 0.131    3716 100.00   100.8    83.1  0.53  0.51     197    98.8    89.2  0.56  0.51
 0.140    3843  99.98    89.6    72.6  0.52  0.51     224    89.9    69.6  0.54  0.52
 0.149    3965 100.00    79.0    63.5  0.52  0.51     214    84.1    64.0  0.52  0.52
 0.159    4015 100.00    71.7    55.4  0.50  0.51     237    73.6    55.0  0.56  0.56
 0.168    4152  99.64    67.6    47.9  0.49  0.51     231    67.6    48.2  0.48  0.47
 0.177    4117  95.90    63.1    43.1  0.50  0.50     232    67.1    43.9  0.48  0.51
$$

    ****                      Fom and SigmaA vs resolution                      ****

 $TABLE: Cycle    1. Fom(-acentric, centric, overall v resln:
 $GRAPHS:Cycle    1. M(Fom) v. resln :N:1,3,5,7,8:
 $$
 <4SSQ/LL> NREFa  FOMa  NREFc FOMc NREFall FOMall  SigmaA_Fc1 $$
 $$
  0.0051   520   0.451   221   0.318   741   0.411  0.661
  0.0141  1036   0.475   256   0.353  1292   0.451  0.612
  0.0231  1377   0.310   256   0.276  1633   0.305  0.575
  0.0321  1635   0.278   256   0.248  1891   0.274  0.514
  0.0412  1876   0.287   263   0.235  2139   0.281  0.447
  0.0502  2094   0.391   264   0.310  2358   0.382  0.535
  0.0592  2280   0.298   262   0.253  2542   0.293  0.394
  0.0682  2464   0.239   257   0.176  2721   0.233  0.189
  0.0773  2597   0.315   271   0.211  2868   0.305  0.529
  0.0863  2809   0.223   257   0.162  3066   0.218  0.387
  0.0953  2928   0.150   256   0.118  3184   0.148  0.280
  0.1044  3070   0.197   260   0.163  3330   0.194  0.333
  0.1134  3187   0.178   260   0.156  3447   0.176  0.147
  0.1224  3345   0.167   264   0.132  3609   0.164  0.284
  0.1314  3454   0.198   262   0.141  3716   0.194  0.300
  0.1405  3576   0.239   267   0.195  3843   0.236  0.206
  0.1495  3701   0.234   264   0.207  3965   0.233  0.093
  0.1585  3756   0.151   259   0.134  4015   0.150  0.204
  0.1675  3899   0.240   253   0.208  4152   0.238  0.317
  0.1766  3883   0.213   235   0.174  4118   0.211  0.391
 $$
Resolution limits                    =     39.241     2.350
Number of used reflections           =      58629
Percentage observed                  =    99.5280
Percentage of free reflections       =     5.0988
Overall R factor                     =     0.5568
Free R factor                        =     0.5527
Overall weighted R factor            =     0.5593
Free weighted R factor               =     0.5531
Overall weighted R2 factor           =     0.6960
Free weighted R2 factor              =     0.6834
Overall correlation coefficient      =     0.5865
Free correlation coefficient         =     0.5981
Cruickshanks DPI for coordinate error=     0.4129
DPI based on free R factor           =     0.3485
Overall figure of merit              =     0.2329
ML based su of positional parameters =     2.2277
ML based su of thermal parameters    =    96.7429
-----------------------------------------------------------------------------
 Trying gamma equal    0.0000000    
 Trying gamma equal   5.00000007E-02
 Gamma decreased to   3.99999991E-02




 fvalues    361089.03       77153.930      1.92496960E+08  2.02094448E+08


     CGMAT cycle number =      2


 fast hessian tabulation
 Weight matrix   4.99999989E-03
 Actual weight    457.97998      is applied to the X-ray term


 function value   1.52899488E+08

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.047     0.020
Bond distances: others                         3716     0.018     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.012, B  =  23.230
Partial structure    1: scale =    0.383, B  =  85.313
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5456
Free R factor                        =     0.5492
Overall figure of merit              =     0.2362
-----------------------------------------------------------------------------
 Trying gamma equal   3.99999991E-02
 Gamma decreased to   3.09090894E-02




 fvalues    336554.75       51389.445      1.53171696E+08  1.54186736E+08


     CGMAT cycle number =      3


 fast hessian tabulation
 Weight matrix   4.99999989E-03
 Actual weight    187.11716      is applied to the X-ray term


 function value    61976420.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.051     0.020
Bond distances: others                         3716     0.017     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.054, B  =  14.064
Partial structure    1: scale =    0.386, B  =  73.629
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5347
Free R factor                        =     0.5440
Overall figure of merit              =     0.2791
-----------------------------------------------------------------------------
 Trying gamma equal   3.09090894E-02
 Gamma decreased to   2.26446278E-02




 fvalues    332514.69       62738.867       61938292.       62281944.    


     CGMAT cycle number =      4


 fast hessian tabulation
 Weight matrix   4.99999989E-03
 Actual weight    123.57804      is applied to the X-ray term


 function value    40686092.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.042     0.020
Bond distances: others                         3716     0.013     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.084, B  =   1.968
Partial structure    1: scale =    0.386, B  =  73.669
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5303
Free R factor                        =     0.5386
Overall figure of merit              =     0.2987
-----------------------------------------------------------------------------
 Trying gamma equal   2.26446278E-02
 Gamma decreased to   1.51314801E-02




 fvalues    328767.22       61044.785       40648792.       40689452.    


     CGMAT cycle number =      5


 fast hessian tabulation
 Weight matrix   4.99999989E-03
 Actual weight    91.249184      is applied to the X-ray term


 function value    29908388.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.036     0.020
Bond distances: others                         3716     0.010     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.107, B  =   0.356
Partial structure    1: scale =    0.386, B  =  71.920
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5247
Free R factor                        =     0.5369
Overall figure of merit              =     0.3131
-----------------------------------------------------------------------------
 Trying gamma equal   1.51314801E-02
 Gamma decreased to   8.30134563E-03




 fvalues    327029.88       67194.211       29893390.       29908404.    


     CGMAT cycle number =      6


 fast hessian tabulation
 Weight matrix   4.99999989E-03
 Actual weight    80.375320      is applied to the X-ray term


 function value    26308254.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.032     0.020
Bond distances: others                         3716     0.009     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.113, B  =  -0.491
Partial structure    1: scale =    0.385, B  =  69.824
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5223
Free R factor                        =     0.5357
Overall figure of merit              =     0.3182
-----------------------------------------------------------------------------
 Trying gamma equal   8.30134563E-03
 Gamma decreased to   2.09213281E-03




 fvalues    326543.38       62432.551       26300756.       26308460.    


     CGMAT cycle number =      7


 fast hessian tabulation
 Weight matrix   5.00000035E-03
 Actual weight    72.718033      is applied to the X-ray term


 function value    23766840.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.030     0.020
Bond distances: others                         3716     0.008     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.121, B  =  -0.413
Partial structure    1: scale =    0.383, B  =  63.907
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5212
Free R factor                        =     0.5348
Overall figure of merit              =     0.3229
-----------------------------------------------------------------------------
 Trying gamma equal   2.09213281E-03
 Gamma decreased to    0.0000000    




 fvalues    325978.97       62470.641       23761728.       23767020.    


     CGMAT cycle number =      8


 fast hessian tabulation
 Weight matrix   4.99999989E-03
 Actual weight    69.297966      is applied to the X-ray term


 function value    22610522.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.029     0.020
Bond distances: others                         3716     0.009     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.130, B  =  -0.621
Partial structure    1: scale =    0.385, B  =  61.741
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5201
Free R factor                        =     0.5337
Overall figure of merit              =     0.3242
-----------------------------------------------------------------------------
 Trying gamma equal    0.0000000    
 Trying gamma equal   2.56579034E-02
 Gamma decreased to   2.05263235E-02




 fvalues    325423.31       59700.352       22607428.       22610874.    


     CGMAT cycle number =      9


 fast hessian tabulation
 Weight matrix   4.99999989E-03
 Actual weight    67.808243      is applied to the X-ray term


 function value    22099328.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.028     0.020
Bond distances: others                         3716     0.008     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.137, B  =  -0.442
Partial structure    1: scale =    0.384, B  =  57.437
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5197
Free R factor                        =     0.5334
Overall figure of merit              =     0.3258
-----------------------------------------------------------------------------
 Trying gamma equal   2.05263235E-02
 Gamma decreased to   1.58612505E-02




 fvalues    325033.78       59707.391       22097260.       22099678.    


     CGMAT cycle number =     10


 fast hessian tabulation
 Weight matrix   5.00000035E-03
 Actual weight    64.669220      is applied to the X-ray term


 function value    21058860.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.027     0.020
Bond distances: others                         3716     0.008     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.142, B  =  -0.446
Partial structure    1: scale =    0.384, B  =  55.810
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5189
Free R factor                        =     0.5330
Overall figure of merit              =     0.3281
-----------------------------------------------------------------------------
 Trying gamma equal   1.58612505E-02
 Gamma decreased to   1.16202747E-02




 fvalues    324735.28       58629.750       21057198.       21059008.    


     CGMAT cycle number =     11


 fast hessian tabulation
 Weight matrix   4.99999989E-03
 Actual weight    64.407501      is applied to the X-ray term


 function value    20952460.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.027     0.020
Bond distances: others                         3716     0.007     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.148, B  =  -0.269
Partial structure    1: scale =    0.386, B  =  54.185
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5186
Free R factor                        =     0.5329
Overall figure of merit              =     0.3280
-----------------------------------------------------------------------------
 Trying gamma equal   1.16202747E-02
 Gamma decreased to   7.76484236E-03




 fvalues    324404.88       58430.531       20952038.       20952538.    


     CGMAT cycle number =     12


 fast hessian tabulation
 Weight matrix   4.99999989E-03
 Actual weight    62.684677      is applied to the X-ray term


 function value    20376822.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.027     0.020
Bond distances: others                         3716     0.007     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.152, B  =  -0.279
Partial structure    1: scale =    0.385, B  =  52.266
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5177
Free R factor                        =     0.5329
Overall figure of merit              =     0.3294
-----------------------------------------------------------------------------
 Trying gamma equal   7.76484236E-03
 Gamma decreased to   4.25990392E-03




 fvalues    324140.16       58379.758       20376826.       20377002.    


     CGMAT cycle number =     13


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999989E-03
 Actual weight    63.287880      is applied to the X-ray term


 function value    20561396.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.027     0.020
Bond distances: others                         3716     0.007     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.156, B  =  -0.049
Partial structure    1: scale =    0.386, B  =  51.482
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5178
Free R factor                        =     0.5326
Overall figure of merit              =     0.3282
-----------------------------------------------------------------------------
 Trying gamma equal   4.25990392E-03
 Gamma decreased to   1.07359653E-03




 fvalues    323959.59       58713.410       20562816.       20561430.    


 fvalues    323959.59       58713.410       20556408.       20561430.    


     CGMAT cycle number =     14


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999989E-03
 Actual weight    60.426296      is applied to the X-ray term


 function value    19628504.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.027     0.020
Bond distances: others                         3716     0.007     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.156, B  =  -0.310
Partial structure    1: scale =    0.386, B  =  51.465
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5169
Free R factor                        =     0.5330
Overall figure of merit              =     0.3292
-----------------------------------------------------------------------------
 Trying gamma equal   1.07359653E-03
 Gamma decreased to    0.0000000    




 fvalues    323873.75       58226.578       19627858.       19628718.    


     CGMAT cycle number =     15


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999989E-03
 Actual weight    59.996189      is applied to the X-ray term


 function value    19488818.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.026     0.020
Bond distances: others                         3716     0.007     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.156, B  =  -0.426
Partial structure    1: scale =    0.386, B  =  51.368
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5167
Free R factor                        =     0.5329
Overall figure of merit              =     0.3300
-----------------------------------------------------------------------------
 Trying gamma equal    0.0000000    
 Trying gamma equal   1.31665589E-02
 Gamma decreased to   1.05332471E-02




 fvalues    323871.59       58037.355       19488700.       19489100.    


     CGMAT cycle number =     16


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999989E-03
 Actual weight    58.193218      is applied to the X-ray term


 function value    18900464.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.026     0.020
Bond distances: others                         3716     0.007     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.157, B  =  -0.318
Partial structure    1: scale =    0.386, B  =  51.345
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5162
Free R factor                        =     0.5327
Overall figure of merit              =     0.3322
-----------------------------------------------------------------------------
 Trying gamma equal   1.05332471E-02
 Gamma decreased to   8.13932717E-03




 fvalues    323776.22       59027.906       18900154.       18900608.    


     CGMAT cycle number =     17


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   5.00000035E-03
 Actual weight    58.133076      is applied to the X-ray term


 function value    18880080.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.026     0.020
Bond distances: others                         3716     0.007     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.157, B  =  -0.441
Partial structure    1: scale =    0.386, B  =  51.330
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5160
Free R factor                        =     0.5329
Overall figure of merit              =     0.3319
-----------------------------------------------------------------------------
 Trying gamma equal   8.13932717E-03
 Gamma decreased to   5.96303632E-03




 fvalues    323761.78       59010.422       18880264.       18880278.    


     CGMAT cycle number =     18


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999989E-03
 Actual weight    56.993443      is applied to the X-ray term


 function value    18507782.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.026     0.020
Bond distances: others                         3716     0.007     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.158, B  =  -0.401
Partial structure    1: scale =    0.386, B  =  51.373
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5154
Free R factor                        =     0.5325
Overall figure of merit              =     0.3329
-----------------------------------------------------------------------------
 Trying gamma equal   5.96303632E-03
 Gamma decreased to   3.98459006E-03




 fvalues    323685.28       60118.160       18507710.       18508056.    


     CGMAT cycle number =     19


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999942E-03
 Actual weight    55.562679      is applied to the X-ray term


 function value    18064840.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.026     0.020
Bond distances: others                         3716     0.007     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.151, B  =  -0.879
Partial structure    1: scale =    0.384, B  =  56.063
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5154
Free R factor                        =     0.5325
Overall figure of merit              =     0.3338
-----------------------------------------------------------------------------
 Trying gamma equal   3.98459006E-03
 Gamma decreased to   2.18600268E-03




 fvalues    324059.06       59775.809       18064428.       18065366.    


     CGMAT cycle number =     20


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999989E-03
 Actual weight    54.721558      is applied to the X-ray term


 function value    17797386.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.026     0.020
Bond distances: others                         3716     0.007     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.148, B  =  -0.795
Partial structure    1: scale =    0.384, B  =  56.859
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5152
Free R factor                        =     0.5320
Overall figure of merit              =     0.3342
-----------------------------------------------------------------------------
 Trying gamma equal   2.18600268E-03
 Gamma decreased to   5.50923171E-04




 fvalues    324161.94       59104.699       17799128.       17797750.    


 fvalues    324161.94       59104.699       17797220.       17797750.    


     CGMAT cycle number =     21


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999989E-03
 Actual weight    54.445599      is applied to the X-ray term


 function value    17716048.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.026     0.020
Bond distances: others                         3716     0.007     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.145, B  =  -0.978
Partial structure    1: scale =    0.384, B  =  59.145
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5151
Free R factor                        =     0.5325
Overall figure of merit              =     0.3341
-----------------------------------------------------------------------------
 Trying gamma equal   5.50923171E-04
 Trying gamma equal   7.98310246E-03
 Gamma decreased to   6.49666693E-03




 fvalues    324303.88       59765.313       17715028.       17716684.    


     CGMAT cycle number =     22


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999989E-03
 Actual weight    54.440777      is applied to the X-ray term


 function value    17716458.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.007     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.144, B  =  -0.866
Partial structure    1: scale =    0.384, B  =  59.291
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5149
Free R factor                        =     0.5324
Overall figure of merit              =     0.3341
-----------------------------------------------------------------------------
 Trying gamma equal   6.49666693E-03
 Gamma decreased to   5.14536165E-03




 fvalues    324364.22       58619.262       17716726.       17717260.    


     CGMAT cycle number =     23


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999989E-03
 Actual weight    54.547001      is applied to the X-ray term


 function value    17750904.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.007     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.144, B  =  -0.841
Partial structure    1: scale =    0.384, B  =  59.253
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5148
Free R factor                        =     0.5324
Overall figure of merit              =     0.3339
-----------------------------------------------------------------------------
 Trying gamma equal   5.14536165E-03
 Gamma decreased to   3.91690247E-03




 fvalues    324358.69       58752.137       17751262.       17751546.    


     CGMAT cycle number =     24


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999989E-03
 Actual weight    54.262722      is applied to the X-ray term


 function value    17660208.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.007     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.144, B  =  -0.844
Partial structure    1: scale =    0.384, B  =  59.223
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5144
Free R factor                        =     0.5325
Overall figure of merit              =     0.3345
-----------------------------------------------------------------------------
 Trying gamma equal   3.91690247E-03
 Gamma decreased to   2.80012120E-03




 fvalues    324375.00       59196.516       17660516.       17660666.    


     CGMAT cycle number =     25


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999942E-03
 Actual weight    54.099808      is applied to the X-ray term


 function value    17605820.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.007     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.144, B  =  -0.920
Partial structure    1: scale =    0.384, B  =  59.180
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5142
Free R factor                        =     0.5323
Overall figure of merit              =     0.3349
-----------------------------------------------------------------------------
 Trying gamma equal   2.80012120E-03
 Gamma decreased to   1.78486563E-03




 fvalues    324342.81       59553.070       17606396.       17606438.    


     CGMAT cycle number =     26


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999989E-03
 Actual weight    54.249798      is applied to the X-ray term


 function value    17651632.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.007     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.145, B  =  -0.817
Partial structure    1: scale =    0.384, B  =  57.740
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5139
Free R factor                        =     0.5322
Overall figure of merit              =     0.3349
-----------------------------------------------------------------------------
 Trying gamma equal   1.78486563E-03
 Gamma decreased to   8.61906039E-04




 fvalues    324277.09       60165.699       17652146.       17652132.    


 fvalues    324277.09       60165.699       17651674.       17652132.    


     CGMAT cycle number =     27


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999989E-03
 Actual weight    54.509102      is applied to the X-ray term


 function value    17731838.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.007     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.147, B  =  -0.806
Partial structure    1: scale =    0.384, B  =  56.676
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5138
Free R factor                        =     0.5324
Overall figure of merit              =     0.3347
-----------------------------------------------------------------------------
 Trying gamma equal   8.61906039E-04
 Gamma decreased to   2.28519202E-05




 fvalues    324203.72       60279.012       17732272.       17732334.    


     CGMAT cycle number =     28


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999942E-03
 Actual weight    54.773323      is applied to the X-ray term


 function value    17811406.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.007     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.149, B  =  -0.743
Partial structure    1: scale =    0.386, B  =  56.633
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5135
Free R factor                        =     0.5325
Overall figure of merit              =     0.3346
-----------------------------------------------------------------------------
 Trying gamma equal   2.28519202E-05
 Trying gamma equal   3.83673422E-03
 Gamma decreased to   3.07395775E-03




 fvalues    324075.16       61055.422       17811806.       17811730.    


 fvalues    324075.16       61055.422       17811730.       17811730.    


     CGMAT cycle number =     29


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   5.00000035E-03
 Actual weight    54.571358      is applied to the X-ray term


 function value    17750878.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.007     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.147, B  =  -0.864
Partial structure    1: scale =    0.384, B  =  56.550
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5134
Free R factor                        =     0.5326
Overall figure of merit              =     0.3347
-----------------------------------------------------------------------------
 Trying gamma equal   3.07395775E-03
 Gamma decreased to   2.38052476E-03




 fvalues    324164.78       61369.230       17751620.       17751482.    


 fvalues    324164.78       61369.230       17751532.       17751482.    


     CGMAT cycle number =     30


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999989E-03
 Actual weight    54.728264      is applied to the X-ray term


 function value    17800980.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.007     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.147, B  =  -0.834
Partial structure    1: scale =    0.383, B  =  55.798
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5133
Free R factor                        =     0.5326
Overall figure of merit              =     0.3346
-----------------------------------------------------------------------------
 Trying gamma equal   2.38052476E-03
 Gamma decreased to   1.75013102E-03




 fvalues    324145.66       61541.070       17801772.       17801472.    


 fvalues    324145.66       61541.070       17801590.       17801472.    


     CGMAT cycle number =     31


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999989E-03
 Actual weight    54.809414      is applied to the X-ray term


 function value    17826522.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.007     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.148, B  =  -0.816
Partial structure    1: scale =    0.383, B  =  55.429
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5133
Free R factor                        =     0.5326
Overall figure of merit              =     0.3346
-----------------------------------------------------------------------------
 Trying gamma equal   1.75013102E-03
 Gamma decreased to   1.17704575E-03




 fvalues    324128.06       61741.508       17827300.       17827012.    


 fvalues    324128.06       61741.508       17827154.       17827012.    


     CGMAT cycle number =     32


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999942E-03
 Actual weight    54.878201      is applied to the X-ray term


 function value    17847568.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.006     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.148, B  =  -0.798
Partial structure    1: scale =    0.384, B  =  55.393
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5132
Free R factor                        =     0.5326
Overall figure of merit              =     0.3345
-----------------------------------------------------------------------------
 Trying gamma equal   1.17704575E-03
 Gamma decreased to   6.56059186E-04




 fvalues    324103.22       61933.391       17848402.       17848136.    


 fvalues    324103.22       61933.391       17848230.       17848136.    


     CGMAT cycle number =     33


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999989E-03
 Actual weight    55.139988      is applied to the X-ray term


 function value    17928252.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.006     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.150, B  =  -0.731
Partial structure    1: scale =    0.385, B  =  55.467
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5132
Free R factor                        =     0.5328
Overall figure of merit              =     0.3343
-----------------------------------------------------------------------------
 Trying gamma equal   6.56059186E-04
 Gamma decreased to   1.82435033E-04




 fvalues    324020.69       62154.012       17929004.       17928650.    


 fvalues    324020.69       62154.012       17928896.       17928650.    


     CGMAT cycle number =     34


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999989E-03
 Actual weight    55.129410      is applied to the X-ray term


 function value    17924804.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.006     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.150, B  =  -0.741
Partial structure    1: scale =    0.385, B  =  55.599
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5131
Free R factor                        =     0.5328
Overall figure of merit              =     0.3343
-----------------------------------------------------------------------------
 Trying gamma equal   1.82435033E-04
 Trying gamma equal   2.33527180E-03
 Gamma decreased to   1.90470438E-03




 fvalues    324015.44       62441.199       17924298.       17925222.    


     CGMAT cycle number =     35


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999989E-03
 Actual weight    55.111401      is applied to the X-ray term


 function value    17918748.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.006     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.150, B  =  -0.779
Partial structure    1: scale =    0.385, B  =  55.707
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5129
Free R factor                        =     0.5329
Overall figure of merit              =     0.3343
-----------------------------------------------------------------------------
 Trying gamma equal   1.90470438E-03
 Gamma decreased to   1.51327951E-03




 fvalues    324018.88       62139.750       17919642.       17919274.    


 fvalues    324018.88       62139.750       17919488.       17919274.    


     CGMAT cycle number =     36


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   5.00000035E-03
 Actual weight    55.091690      is applied to the X-ray term


 function value    17912948.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.006     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.149, B  =  -0.788
Partial structure    1: scale =    0.385, B  =  55.767
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5129
Free R factor                        =     0.5328
Overall figure of merit              =     0.3343
-----------------------------------------------------------------------------
 Trying gamma equal   1.51327951E-03
 Gamma decreased to   1.15743873E-03




 fvalues    324026.91       62347.875       17913884.       17913538.    


 fvalues    324026.91       62347.875       17913708.       17913538.    


     CGMAT cycle number =     37


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999989E-03
 Actual weight    55.091900      is applied to the X-ray term


 function value    17914080.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.006     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.149, B  =  -0.797
Partial structure    1: scale =    0.385, B  =  55.754
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5129
Free R factor                        =     0.5330
Overall figure of merit              =     0.3343
-----------------------------------------------------------------------------
 Trying gamma equal   1.15743873E-03
 Gamma decreased to   8.33947095E-04




 fvalues    324042.25       62562.988       17914960.       17914666.    


 fvalues    324042.25       62562.988       17914842.       17914666.    


     CGMAT cycle number =     38


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999989E-03
 Actual weight    55.087994      is applied to the X-ray term


 function value    17913446.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.006     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.149, B  =  -0.800
Partial structure    1: scale =    0.385, B  =  55.721
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5128
Free R factor                        =     0.5331
Overall figure of merit              =     0.3343
-----------------------------------------------------------------------------
 Trying gamma equal   8.33947095E-04
 Gamma decreased to   5.39863831E-04




 fvalues    324050.13       62767.469       17914288.       17914040.    


 fvalues    324050.13       62767.469       17914194.       17914040.    


     CGMAT cycle number =     39


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999989E-03
 Actual weight    54.769260      is applied to the X-ray term


 function value    17816126.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.006     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.147, B  =  -0.895
Partial structure    1: scale =    0.384, B  =  55.960
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5128
Free R factor                        =     0.5330
Overall figure of merit              =     0.3346
-----------------------------------------------------------------------------
 Trying gamma equal   5.39863831E-04
 Gamma decreased to   2.72515405E-04




 fvalues    324156.38       62962.840       17817012.       17816766.    


 fvalues    324156.38       62962.840       17817004.       17816766.    


     CGMAT cycle number =     40


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   5.00000035E-03
 Actual weight    54.544140      is applied to the X-ray term


 function value    17747112.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.006     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.145, B  =  -0.950
Partial structure    1: scale =    0.384, B  =  56.714
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5127
Free R factor                        =     0.5331
Overall figure of merit              =     0.3347
-----------------------------------------------------------------------------
 Trying gamma equal   2.72515405E-04
 Trying gamma equal   1.48773566E-03
 Gamma decreased to   1.24469167E-03




 fvalues    324225.13       63118.777       17747946.       17747698.    


 fvalues    324225.13       63118.777       17747862.       17747698.    


     CGMAT cycle number =     41


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999989E-03
 Actual weight    54.696766      is applied to the X-ray term


 function value    17794758.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.006     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.146, B  =  -0.893
Partial structure    1: scale =    0.384, B  =  56.644
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5127
Free R factor                        =     0.5331
Overall figure of merit              =     0.3346
-----------------------------------------------------------------------------
 Trying gamma equal   1.24469167E-03
 Gamma decreased to   1.02374249E-03




 fvalues    324187.34       63267.129       17795494.       17795268.    


 fvalues    324187.34       63267.129       17795380.       17795268.    


     CGMAT cycle number =     42


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999989E-03
 Actual weight    54.633396      is applied to the X-ray term


 function value    17776526.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.006     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.145, B  =  -0.907
Partial structure    1: scale =    0.384, B  =  56.669
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5127
Free R factor                        =     0.5331
Overall figure of merit              =     0.3346
-----------------------------------------------------------------------------
 Trying gamma equal   1.02374249E-03
 Gamma decreased to   8.22879665E-04




 fvalues    324226.28       63448.008       17777282.       17777030.    


 fvalues    324226.28       63448.008       17777172.       17777030.    


     CGMAT cycle number =     43


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999942E-03
 Actual weight    54.644035      is applied to the X-ray term


 function value    17781000.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.006     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.145, B  =  -0.901
Partial structure    1: scale =    0.383, B  =  56.593
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5127
Free R factor                        =     0.5333
Overall figure of merit              =     0.3346
-----------------------------------------------------------------------------
 Trying gamma equal   8.22879665E-04
 Gamma decreased to   6.40277111E-04




 fvalues    324242.19       63636.699       17781742.       17781538.    


 fvalues    324242.19       63636.699       17781662.       17781538.    


     CGMAT cycle number =     44


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999989E-03
 Actual weight    54.337349      is applied to the X-ray term


 function value    17686734.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.006     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.143, B  =  -0.981
Partial structure    1: scale =    0.383, B  =  57.766
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5126
Free R factor                        =     0.5333
Overall figure of merit              =     0.3348
-----------------------------------------------------------------------------
 Trying gamma equal   6.40277111E-04
 Gamma decreased to   4.74274770E-04




 fvalues    324336.22       63834.371       17687574.       17687404.    


 fvalues    324336.22       63834.371       17687494.       17687404.    


     CGMAT cycle number =     45


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999989E-03
 Actual weight    54.364803      is applied to the X-ray term


 function value    17696668.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.006     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.143, B  =  -0.966
Partial structure    1: scale =    0.383, B  =  57.724
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5126
Free R factor                        =     0.5334
Overall figure of merit              =     0.3347
-----------------------------------------------------------------------------
 Trying gamma equal   4.74274770E-04
 Trying gamma equal   1.22883078E-03
 Gamma decreased to   1.07791962E-03




 fvalues    324352.00       63949.836       17697418.       17697282.    


 fvalues    324352.00       63949.836       17697344.       17697282.    


     CGMAT cycle number =     46


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999989E-03
 Actual weight    54.336933      is applied to the X-ray term


 function value    17688710.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.006     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.142, B  =  -0.959
Partial structure    1: scale =    0.383, B  =  58.010
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5126
Free R factor                        =     0.5335
Overall figure of merit              =     0.3347
-----------------------------------------------------------------------------
 Trying gamma equal   1.07791962E-03
 Gamma decreased to   9.40727652E-04




 fvalues    324369.16       64112.574       17689494.       17689338.    


 fvalues    324369.16       64112.574       17689410.       17689338.    


     CGMAT cycle number =     47


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999989E-03
 Actual weight    54.095394      is applied to the X-ray term


 function value    17614514.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.006     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.141, B  =  -1.013
Partial structure    1: scale =    0.383, B  =  59.076
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5126
Free R factor                        =     0.5336
Overall figure of merit              =     0.3349
-----------------------------------------------------------------------------
 Trying gamma equal   9.40727652E-04
 Gamma decreased to   8.16007669E-04




 fvalues    324443.00       64251.664       17615274.       17615124.    


 fvalues    324443.00       64251.664       17615214.       17615124.    


     CGMAT cycle number =     48


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999989E-03
 Actual weight    54.083984      is applied to the X-ray term


 function value    17612234.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.006     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.140, B  =  -1.004
Partial structure    1: scale =    0.383, B  =  59.040
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5126
Free R factor                        =     0.5336
Overall figure of merit              =     0.3349
-----------------------------------------------------------------------------
 Trying gamma equal   8.16007669E-04
 Gamma decreased to   7.02625839E-04




 fvalues    324467.19       64401.094       17612992.       17612880.    


 fvalues    324467.19       64401.094       17612960.       17612880.    


     CGMAT cycle number =     49


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999989E-03
 Actual weight    53.978710      is applied to the X-ray term


 function value    17580366.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.006     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.140, B  =  -1.015
Partial structure    1: scale =    0.383, B  =  59.532
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5125
Free R factor                        =     0.5337
Overall figure of merit              =     0.3350
-----------------------------------------------------------------------------
 Trying gamma equal   7.02625839E-04
 Gamma decreased to   5.99551480E-04




 fvalues    324506.63       64545.043       17581052.       17580996.    


 fvalues    324506.63       64545.043       17581008.       17580996.    


     CGMAT cycle number =     50


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999989E-03
 Actual weight    53.997234      is applied to the X-ray term


 function value    17587238.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.006     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.139, B  =  -0.998
Partial structure    1: scale =    0.383, B  =  59.609
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5125
Free R factor                        =     0.5337
Overall figure of merit              =     0.3349
-----------------------------------------------------------------------------
 Trying gamma equal   5.99551480E-04
 Gamma decreased to   5.05847507E-04




 fvalues    324521.66       64661.848       17587964.       17587934.    


 fvalues    324521.66       64661.848       17587890.       17587934.    


     CGMAT cycle number =     51


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999989E-03
 Actual weight    54.010780      is applied to the X-ray term


 function value    17592514.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.006     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.139, B  =  -0.957
Partial structure    1: scale =    0.384, B  =  59.568
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5124
Free R factor                        =     0.5339
Overall figure of merit              =     0.3349
-----------------------------------------------------------------------------
 Trying gamma equal   5.05847507E-04
 Trying gamma equal   9.31774615E-04
 Gamma decreased to   8.46589217E-04




 fvalues    324531.75       64910.813       17593272.       17593124.    


 fvalues    324531.75       64910.813       17593192.       17593124.    


     CGMAT cycle number =     52


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999989E-03
 Actual weight    53.350975      is applied to the X-ray term


 function value    17390184.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.006     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.135, B  =  -1.149
Partial structure    1: scale =    0.382, B  =  61.620
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5124
Free R factor                        =     0.5340
Overall figure of merit              =     0.3354
-----------------------------------------------------------------------------
 Trying gamma equal   8.46589217E-04
 Gamma decreased to   7.69147940E-04




 fvalues    324754.31       65053.570       17391102.       17391014.    


 fvalues    324754.31       65053.570       17391040.       17391014.    


     CGMAT cycle number =     53


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999989E-03
 Actual weight    53.132202      is applied to the X-ray term


 function value    17323804.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.006     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.133, B  =  -1.192
Partial structure    1: scale =    0.383, B  =  62.970
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5124
Free R factor                        =     0.5341
Overall figure of merit              =     0.3355
-----------------------------------------------------------------------------
 Trying gamma equal   7.69147940E-04
 Gamma decreased to   6.98746764E-04




 fvalues    324841.22       65119.203       17324712.       17324650.    


 fvalues    324841.22       65119.203       17324684.       17324650.    


     CGMAT cycle number =     54


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999942E-03
 Actual weight    53.183933      is applied to the X-ray term


 function value    17341154.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.006     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.133, B  =  -1.150
Partial structure    1: scale =    0.383, B  =  63.018
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5124
Free R factor                        =     0.5342
Overall figure of merit              =     0.3354
-----------------------------------------------------------------------------
 Trying gamma equal   6.98746764E-04
 Gamma decreased to   6.34745695E-04




 fvalues    324849.41       65175.625       17341984.       17341946.    


 fvalues    324849.41       65175.625       17341960.       17341946.    


     CGMAT cycle number =     55


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999989E-03
 Actual weight    53.211346      is applied to the X-ray term


 function value    17351170.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.006     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.132, B  =  -1.121
Partial structure    1: scale =    0.383, B  =  62.979
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5123
Free R factor                        =     0.5342
Overall figure of merit              =     0.3354
-----------------------------------------------------------------------------
 Trying gamma equal   6.34745695E-04
 Gamma decreased to   5.76562888E-04




 fvalues    324867.53       65238.930       17351882.       17351876.    


 fvalues    324867.53       65238.930       17351902.       17351876.    


     CGMAT cycle number =     56


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   5.00000035E-03
 Actual weight    53.204693      is applied to the X-ray term


 function value    17350238.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.006     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.132, B  =  -1.103
Partial structure    1: scale =    0.382, B  =  62.992
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5123
Free R factor                        =     0.5342
Overall figure of merit              =     0.3354
-----------------------------------------------------------------------------
 Trying gamma equal   5.76562888E-04
 Gamma decreased to   5.23669471E-04




 fvalues    324890.66       65316.055       17350984.       17351024.    


     CGMAT cycle number =     57


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   5.00000035E-03
 Actual weight    52.204205      is applied to the X-ray term


 function value    17031400.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.006     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.130, B  =  -1.038
Partial structure    1: scale =    0.383, B  =  61.816
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5122
Free R factor                        =     0.5340
Overall figure of merit              =     0.3384
-----------------------------------------------------------------------------
 Trying gamma equal   5.23669471E-04
 Trying gamma equal   7.64094177E-04
 Gamma decreased to   7.16009235E-04




 fvalues    324999.00       65686.398       17031994.       17032000.    


     CGMAT cycle number =     58


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999989E-03
 Actual weight    52.100098      is applied to the X-ray term


 function value    16995006.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.006     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.131, B  =  -1.079
Partial structure    1: scale =    0.383, B  =  62.102
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5118
Free R factor                        =     0.5345
Overall figure of merit              =     0.3386
-----------------------------------------------------------------------------
 Trying gamma equal   7.16009235E-04
 Gamma decreased to   6.72295631E-04




 fvalues    324943.50       66041.602       16995624.       16995630.    


     CGMAT cycle number =     59


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999942E-03
 Actual weight    52.222908      is applied to the X-ray term


 function value    17029776.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.006     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.133, B  =  -0.861
Partial structure    1: scale =    0.385, B  =  61.887
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5116
Free R factor                        =     0.5350
Overall figure of merit              =     0.3386
-----------------------------------------------------------------------------
 Trying gamma equal   6.72295631E-04
 Gamma decreased to   6.32556039E-04




 fvalues    324835.38       66381.195       17030166.       17030230.    


     CGMAT cycle number =     60


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999942E-03
 Actual weight    52.128822      is applied to the X-ray term


 function value    16997984.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.006     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.133, B  =  -0.914
Partial structure    1: scale =    0.385, B  =  61.505
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5114
Free R factor                        =     0.5356
Overall figure of merit              =     0.3387
-----------------------------------------------------------------------------
 Trying gamma equal   6.32556039E-04
 Gamma decreased to   5.96429105E-04




 fvalues    324813.53       66553.586       16998394.       16998700.    


     CGMAT cycle number =     61


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999942E-03
 Actual weight    52.154934      is applied to the X-ray term


 function value    17005030.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.006     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.134, B  =  -0.872
Partial structure    1: scale =    0.385, B  =  61.430
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5113
Free R factor                        =     0.5359
Overall figure of merit              =     0.3388
-----------------------------------------------------------------------------
 Trying gamma equal   5.96429105E-04
 Gamma decreased to   5.63586422E-04




 fvalues    324778.34       66755.023       17005330.       17005550.    


     CGMAT cycle number =     62


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999989E-03
 Actual weight    51.971386      is applied to the X-ray term


 function value    16946866.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.006     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.133, B  =  -0.904
Partial structure    1: scale =    0.385, B  =  61.481
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5111
Free R factor                        =     0.5361
Overall figure of merit              =     0.3391
-----------------------------------------------------------------------------
 Trying gamma equal   5.63586422E-04
 Gamma decreased to   5.33729442E-04




 fvalues    324802.75       66892.117       16947222.       16947342.    


     CGMAT cycle number =     63


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   5.00000035E-03
 Actual weight    51.883251      is applied to the X-ray term


 function value    16919984.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.007     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.132, B  =  -0.893
Partial structure    1: scale =    0.385, B  =  61.987
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5110
Free R factor                        =     0.5362
Overall figure of merit              =     0.3392
-----------------------------------------------------------------------------
 Trying gamma equal   5.33729442E-04
 Gamma decreased to   5.06586744E-04




 fvalues    324835.59       67015.227       16920368.       16920542.    


     CGMAT cycle number =     64


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999989E-03
 Actual weight    51.699711      is applied to the X-ray term


 function value    16863216.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.024     0.020
Bond distances: others                         3716     0.007     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.131, B  =  -0.936
Partial structure    1: scale =    0.385, B  =  62.751
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5109
Free R factor                        =     0.5367
Overall figure of merit              =     0.3394
-----------------------------------------------------------------------------
 Trying gamma equal   5.06586744E-04
 Gamma decreased to   4.81911586E-04




 fvalues    324888.22       67091.547       16863638.       16863718.    


     CGMAT cycle number =     65


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999989E-03
 Actual weight    51.680370      is applied to the X-ray term


 function value    16858420.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.009     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.130, B  =  -0.887
Partial structure    1: scale =    0.385, B  =  62.980
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5109
Free R factor                        =     0.5372
Overall figure of merit              =     0.3395
-----------------------------------------------------------------------------
 Trying gamma equal   4.81911586E-04
 Gamma decreased to   4.59479605E-04




 fvalues    324916.19       67205.734       16858766.       16858994.    


     CGMAT cycle number =     66


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999989E-03
 Actual weight    50.993061      is applied to the X-ray term


 function value    16639590.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.024     0.020
Bond distances: others                         3716     0.008     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.129, B  =  -0.966
Partial structure    1: scale =    0.385, B  =  64.127
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5108
Free R factor                        =     0.5376
Overall figure of merit              =     0.3407
-----------------------------------------------------------------------------
 Trying gamma equal   4.59479605E-04
 Gamma decreased to   4.39086900E-04




 fvalues    325004.59       67185.734       16639971.       16640165.    


     CGMAT cycle number =     67


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999989E-03
 Actual weight    51.090828      is applied to the X-ray term


 function value    16672804.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.024     0.020
Bond distances: others                         3716     0.011     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.128, B  =  -0.927
Partial structure    1: scale =    0.386, B  =  64.176
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5108
Free R factor                        =     0.5377
Overall figure of merit              =     0.3408
-----------------------------------------------------------------------------
 Trying gamma equal   4.39086900E-04
 Gamma decreased to   4.20548080E-04




 fvalues    325031.53       67172.234       16673059.       16673302.    


     CGMAT cycle number =     68


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999989E-03
 Actual weight    50.708817      is applied to the X-ray term


 function value    16549240.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.024     0.020
Bond distances: others                         3716     0.010     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.128, B  =  -0.945
Partial structure    1: scale =    0.386, B  =  64.505
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5107
Free R factor                        =     0.5379
Overall figure of merit              =     0.3413
-----------------------------------------------------------------------------
 Trying gamma equal   4.20548080E-04
 Gamma decreased to   4.03694605E-04




 fvalues    325041.88       67219.734       16549546.       16549709.    


     CGMAT cycle number =     69


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999942E-03
 Actual weight    51.334461      is applied to the X-ray term


 function value    16756643.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.024     0.020
Bond distances: others                         3716     0.012     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.126, B  =  -0.970
Partial structure    1: scale =    0.386, B  =  64.451
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5106
Free R factor                        =     0.5381
Overall figure of merit              =     0.3420
-----------------------------------------------------------------------------
 Trying gamma equal   4.03694605E-04
 Gamma decreased to   3.88373272E-04




 fvalues    325122.63       67238.977       16757065.       16757234.    


     CGMAT cycle number =     70


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   5.00000035E-03
 Actual weight    51.018116      is applied to the X-ray term


 function value    16651114.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.024     0.020
Bond distances: others                         3716     0.011     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.127, B  =  -0.843
Partial structure    1: scale =    0.386, B  =  64.419
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5103
Free R factor                        =     0.5385
Overall figure of merit              =     0.3423
-----------------------------------------------------------------------------
 Trying gamma equal   3.88373272E-04
 Trying gamma equal   4.58015711E-04
 Gamma decreased to   4.44087229E-04




 fvalues    325058.22       67760.867       16651288.       16651619.    


     CGMAT cycle number =     71


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999989E-03
 Actual weight    51.124603      is applied to the X-ray term


 function value    16688030.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.012     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.126, B  =  -0.908
Partial structure    1: scale =    0.387, B  =  64.386
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5103
Free R factor                        =     0.5384
Overall figure of merit              =     0.3424
-----------------------------------------------------------------------------
 Trying gamma equal   4.44087229E-04
 Gamma decreased to   4.31424967E-04




 fvalues    325107.81       67425.961       16688579.       16688434.    


 fvalues    325107.81       67425.961       16688197.       16688434.    


     CGMAT cycle number =     72


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999989E-03
 Actual weight    51.199863      is applied to the X-ray term


 function value    16708152.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.024     0.020
Bond distances: others                         3716     0.010     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.128, B  =  -0.836
Partial structure    1: scale =    0.387, B  =  64.356
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5102
Free R factor                        =     0.5387
Overall figure of merit              =     0.3423
-----------------------------------------------------------------------------
 Trying gamma equal   4.31424967E-04
 Gamma decreased to   4.19913820E-04




 fvalues    325025.38       67403.578       16708023.       16708659.    


     CGMAT cycle number =     73


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999989E-03
 Actual weight    50.837074      is applied to the X-ray term


 function value    16595115.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.007     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.126, B  =  -0.942
Partial structure    1: scale =    0.386, B  =  65.278
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5100
Free R factor                        =     0.5386
Overall figure of merit              =     0.3427
-----------------------------------------------------------------------------
 Trying gamma equal   4.19913820E-04
 Trying gamma equal   4.72237240E-04
 Gamma decreased to   4.61772550E-04




 fvalues    325125.38       67150.211       16595423.       16595573.    


     CGMAT cycle number =     74


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999989E-03
 Actual weight    50.987488      is applied to the X-ray term


 function value    16643311.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.024     0.020
Bond distances: others                         3716     0.007     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.126, B  =  -0.887
Partial structure    1: scale =    0.388, B  =  65.815
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5100
Free R factor                        =     0.5388
Overall figure of merit              =     0.3426
-----------------------------------------------------------------------------
 Trying gamma equal   4.61772550E-04
 Gamma decreased to   4.52259206E-04




 fvalues    325116.84       66903.016       16643569.       16643794.    


     CGMAT cycle number =     75


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   5.00000035E-03
 Actual weight    50.744263      is applied to the X-ray term


 function value    16566433.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.009     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.125, B  =  -0.912
Partial structure    1: scale =    0.388, B  =  66.401
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5099
Free R factor                        =     0.5390
Overall figure of merit              =     0.3429
-----------------------------------------------------------------------------
 Trying gamma equal   4.52259206E-04
 Gamma decreased to   4.43610712E-04




 fvalues    325155.44       67124.648       16566752.       16566898.    


     CGMAT cycle number =     76


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999942E-03
 Actual weight    50.939411      is applied to the X-ray term


 function value    16628726.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.024     0.020
Bond distances: others                         3716     0.009     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.125, B  =  -0.881
Partial structure    1: scale =    0.388, B  =  66.369
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5099
Free R factor                        =     0.5393
Overall figure of merit              =     0.3428
-----------------------------------------------------------------------------
 Trying gamma equal   4.43610712E-04
 Trying gamma equal   4.82922071E-04
 Gamma decreased to   4.75059787E-04




 fvalues    325138.09       66895.930       16629114.       16629239.    


     CGMAT cycle number =     77


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999989E-03
 Actual weight    50.819859      is applied to the X-ray term


 function value    16589273.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.012     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.125, B  =  -0.849
Partial structure    1: scale =    0.388, B  =  66.313
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5098
Free R factor                        =     0.5394
Overall figure of merit              =     0.3430
-----------------------------------------------------------------------------
 Trying gamma equal   4.75059787E-04
 Gamma decreased to   4.67912265E-04




 fvalues    325118.00       67229.516       16589239.       16589681.    


     CGMAT cycle number =     78


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999989E-03
 Actual weight    50.669971      is applied to the X-ray term


 function value    16545067.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.024     0.020
Bond distances: others                         3716     0.010     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.123, B  =  -0.958
Partial structure    1: scale =    0.388, B  =  67.165
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5097
Free R factor                        =     0.5396
Overall figure of merit              =     0.3431
-----------------------------------------------------------------------------
 Trying gamma equal   4.67912265E-04
 Gamma decreased to   4.61414515E-04




 fvalues    325223.41       66739.188       16545478.       16545800.    


     CGMAT cycle number =     79


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999942E-03
 Actual weight    50.154266      is applied to the X-ray term


 function value    16375456.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.010     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.124, B  =  -0.860
Partial structure    1: scale =    0.389, B  =  67.141
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5096
Free R factor                        =     0.5395
Overall figure of merit              =     0.3441
-----------------------------------------------------------------------------
 Trying gamma equal   4.61414515E-04
 Gamma decreased to   4.55507485E-04




 fvalues    325180.03       66806.633       16375860.       16375973.    


     CGMAT cycle number =     80


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999989E-03
 Actual weight    50.173828      is applied to the X-ray term


 function value    16386439.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.024     0.020
Bond distances: others                         3716     0.010     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.122, B  =  -0.981
Partial structure    1: scale =    0.388, B  =  67.193
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5096
Free R factor                        =     0.5397
Overall figure of merit              =     0.3440
-----------------------------------------------------------------------------
 Trying gamma equal   4.55507485E-04
 Gamma decreased to   4.50137450E-04




 fvalues    325281.84       66409.070       16386642.       16387044.    


     CGMAT cycle number =     81


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999989E-03
 Actual weight    50.024483      is applied to the X-ray term


 function value    16338461.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.010     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.122, B  =  -0.954
Partial structure    1: scale =    0.387, B  =  67.160
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5095
Free R factor                        =     0.5395
Overall figure of merit              =     0.3443
-----------------------------------------------------------------------------
 Trying gamma equal   4.50137450E-04
 Gamma decreased to   4.45255602E-04




 fvalues    325293.03       66468.914       16339024.       16339085.    


     CGMAT cycle number =     82


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999989E-03
 Actual weight    49.986134      is applied to the X-ray term


 function value    16328741.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.024     0.020
Bond distances: others                         3716     0.010     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.121, B  =  -0.971
Partial structure    1: scale =    0.389, B  =  68.815
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5095
Free R factor                        =     0.5401
Overall figure of merit              =     0.3442
-----------------------------------------------------------------------------
 Trying gamma equal   4.45255602E-04
 Gamma decreased to   4.40817559E-04




 fvalues    325350.38       66190.211       16328774.       16329197.    


     CGMAT cycle number =     83


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   5.00000035E-03
 Actual weight    51.102345      is applied to the X-ray term


 function value    16692624.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.010     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.120, B  =  -0.950
Partial structure    1: scale =    0.389, B  =  68.777
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5094
Free R factor                        =     0.5397
Overall figure of merit              =     0.3441
-----------------------------------------------------------------------------
 Trying gamma equal   4.40817559E-04
 Gamma decreased to   4.36782982E-04




 fvalues    325369.69       66145.633       16693612.       16693300.    


 fvalues    325369.69       66145.633       16692837.       16693300.    


     CGMAT cycle number =     84


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999989E-03
 Actual weight    50.978050      is applied to the X-ray term


 function value    16650967.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.009     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.121, B  =  -0.864
Partial structure    1: scale =    0.388, B  =  68.578
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5092
Free R factor                        =     0.5399
Overall figure of merit              =     0.3442
-----------------------------------------------------------------------------
 Trying gamma equal   4.36782982E-04
 Gamma decreased to   4.33115172E-04




 fvalues    325343.22       66221.414       16651030.       16651584.    


     CGMAT cycle number =     85


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999989E-03
 Actual weight    50.879955      is applied to the X-ray term


 function value    16618542.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.007     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.121, B  =  -0.793
Partial structure    1: scale =    0.388, B  =  68.523
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5091
Free R factor                        =     0.5398
Overall figure of merit              =     0.3444
-----------------------------------------------------------------------------
 Trying gamma equal   4.33115172E-04
 Gamma decreased to   4.29780805E-04




 fvalues    325333.09       66128.523       16618881.       16619062.    


     CGMAT cycle number =     86


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999989E-03
 Actual weight    50.889980      is applied to the X-ray term


 function value    16622803.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.007     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.120, B  =  -0.813
Partial structure    1: scale =    0.388, B  =  68.507
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5090
Free R factor                        =     0.5401
Overall figure of merit              =     0.3444
-----------------------------------------------------------------------------
 Trying gamma equal   4.29780805E-04
 Gamma decreased to   4.26749553E-04




 fvalues    325355.47       65986.445       16623002.       16623319.    


     CGMAT cycle number =     87


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   5.00000035E-03
 Actual weight    50.861500      is applied to the X-ray term


 function value    16613020.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.007     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.120, B  =  -0.797
Partial structure    1: scale =    0.388, B  =  68.284
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5089
Free R factor                        =     0.5400
Overall figure of merit              =     0.3445
-----------------------------------------------------------------------------
 Trying gamma equal   4.26749553E-04
 Gamma decreased to   4.23993886E-04




 fvalues    325347.75       65902.555       16613441.       16613578.    


     CGMAT cycle number =     88


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999942E-03
 Actual weight    50.852539      is applied to the X-ray term


 function value    16610427.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.007     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.120, B  =  -0.781
Partial structure    1: scale =    0.388, B  =  68.252
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5089
Free R factor                        =     0.5402
Overall figure of merit              =     0.3445
-----------------------------------------------------------------------------
 Trying gamma equal   4.23993886E-04
 Gamma decreased to   4.21488716E-04




 fvalues    325356.84       65800.055       16610562.       16611022.    


     CGMAT cycle number =     89


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999989E-03
 Actual weight    50.919197      is applied to the X-ray term


 function value    16630500.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.007     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.121, B  =  -0.766
Partial structure    1: scale =    0.389, B  =  68.156
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5088
Free R factor                        =     0.5399
Overall figure of merit              =     0.3446
-----------------------------------------------------------------------------
 Trying gamma equal   4.21488716E-04
 Gamma decreased to   4.19211283E-04




 fvalues    325325.13       65637.078       16630866.       16630931.    


     CGMAT cycle number =     90


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999942E-03
 Actual weight    51.087078      is applied to the X-ray term


 function value    16682204.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.007     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.122, B  =  -0.683
Partial structure    1: scale =    0.389, B  =  66.751
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5087
Free R factor                        =     0.5403
Overall figure of merit              =     0.3444
-----------------------------------------------------------------------------
 Trying gamma equal   4.19211283E-04
 Gamma decreased to   4.17140895E-04




 fvalues    325268.66       65615.156       16682193.       16682640.    


     CGMAT cycle number =     91


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   5.00000035E-03
 Actual weight    51.115078      is applied to the X-ray term


 function value    16688501.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.007     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.122, B  =  -0.704
Partial structure    1: scale =    0.390, B  =  66.676
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5086
Free R factor                        =     0.5401
Overall figure of merit              =     0.3445
-----------------------------------------------------------------------------
 Trying gamma equal   4.17140895E-04
 Gamma decreased to   4.15258721E-04




 fvalues    325217.44       65407.809       16689062.       16688923.    


 fvalues    325217.44       65407.809       16688779.       16688923.    


     CGMAT cycle number =     92


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999989E-03
 Actual weight    51.042088      is applied to the X-ray term


 function value    16666037.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.007     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.122, B  =  -0.720
Partial structure    1: scale =    0.389, B  =  66.664
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5086
Free R factor                        =     0.5403
Overall figure of merit              =     0.3446
-----------------------------------------------------------------------------
 Trying gamma equal   4.15258721E-04
 Gamma decreased to   4.13547648E-04




 fvalues    325242.59       65371.508       16666113.       16666433.    


     CGMAT cycle number =     93


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999989E-03
 Actual weight    50.964226      is applied to the X-ray term


 function value    16641700.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.007     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.121, B  =  -0.738
Partial structure    1: scale =    0.388, B  =  66.574
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5085
Free R factor                        =     0.5401
Overall figure of merit              =     0.3447
-----------------------------------------------------------------------------
 Trying gamma equal   4.13547648E-04
 Gamma decreased to   4.11992136E-04




 fvalues    325267.41       65210.344       16641956.       16642212.    


     CGMAT cycle number =     94


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999989E-03
 Actual weight    51.014233      is applied to the X-ray term


 function value    16655614.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.007     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.122, B  =  -0.687
Partial structure    1: scale =    0.389, B  =  66.581
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5085
Free R factor                        =     0.5402
Overall figure of merit              =     0.3447
-----------------------------------------------------------------------------
 Trying gamma equal   4.11992136E-04
 Trying gamma equal   4.19062620E-04
 Trying gamma equal   4.26133105E-04
 Trying gamma equal   4.33203590E-04
 Trying gamma equal   4.40274074E-04
 Trying gamma equal   4.47344559E-04
 Trying gamma equal   4.54415043E-04
 Trying gamma equal   4.61485528E-04
 Gamma decreased to   4.60071431E-04




 fvalues    325221.25       65074.605       16655712.       16655988.    


     CGMAT cycle number =     95


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999942E-03
 Actual weight    50.920731      is applied to the X-ray term


 function value    16625866.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.007     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.122, B  =  -0.716
Partial structure    1: scale =    0.389, B  =  66.668
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5084
Free R factor                        =     0.5401
Overall figure of merit              =     0.3448
-----------------------------------------------------------------------------
 Trying gamma equal   4.60071431E-04
 Gamma decreased to   4.58785886E-04




 fvalues    325238.22       64923.008       16626128.       16626291.    


     CGMAT cycle number =     96


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999989E-03
 Actual weight    50.826618      is applied to the X-ray term


 function value    16598384.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.007     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.121, B  =  -0.735
Partial structure    1: scale =    0.388, B  =  66.875
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5084
Free R factor                        =     0.5403
Overall figure of merit              =     0.3449
-----------------------------------------------------------------------------
 Trying gamma equal   4.58785886E-04
 Gamma decreased to   4.57617221E-04




 fvalues    325306.03       64754.652       16598608.       16598960.    


     CGMAT cycle number =     97


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999989E-03
 Actual weight    50.769306      is applied to the X-ray term


 function value    16580425.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.007     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.120, B  =  -0.740
Partial structure    1: scale =    0.389, B  =  67.271
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5083
Free R factor                        =     0.5401
Overall figure of merit              =     0.3450
-----------------------------------------------------------------------------
 Trying gamma equal   4.57617221E-04
 Gamma decreased to   4.56554786E-04




 fvalues    325323.41       64572.012       16580842.       16581016.    


     CGMAT cycle number =     98


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999942E-03
 Actual weight    50.747742      is applied to the X-ray term


 function value    16575091.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.007     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.120, B  =  -0.714
Partial structure    1: scale =    0.388, B  =  67.291
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5083
Free R factor                        =     0.5404
Overall figure of merit              =     0.3450
-----------------------------------------------------------------------------
 Trying gamma equal   4.56554786E-04
 Gamma decreased to   4.55588946E-04




 fvalues    325355.63       64485.902       16575218.       16575549.    


     CGMAT cycle number =     99


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   5.00000035E-03
 Actual weight    50.627861      is applied to the X-ray term


 function value    16537515.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.007     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.119, B  =  -0.756
Partial structure    1: scale =    0.389, B  =  67.991
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5082
Free R factor                        =     0.5402
Overall figure of merit              =     0.3452
-----------------------------------------------------------------------------
 Trying gamma equal   4.55588946E-04
 Gamma decreased to   4.54710913E-04




 fvalues    325388.25       64302.090       16538078.       16538013.    


 fvalues    325388.25       64302.090       16537875.       16538013.    


     CGMAT cycle number =    100


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999989E-03
 Actual weight    50.775852      is applied to the X-ray term


 function value    16568792.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.007     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.125, B  =  -0.443
Partial structure    1: scale =    0.396, B  =  67.989
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5082
Free R factor                        =     0.5406
Overall figure of merit              =     0.3456
-----------------------------------------------------------------------------
 Trying gamma equal   4.54710913E-04
 Gamma decreased to   4.53912682E-04




 fvalues    325052.34       64268.043       16568811.       16569078.    


     CGMAT cycle number =    101


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999989E-03
 Actual weight    50.322788      is applied to the X-ray term


 function value    16425131.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.007     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.124, B  =  -0.711
Partial structure    1: scale =    0.396, B  =  70.141
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5080
Free R factor                        =     0.5407
Overall figure of merit              =     0.3460
-----------------------------------------------------------------------------
 Trying gamma equal   4.53912682E-04
 Gamma decreased to   4.53187036E-04




 fvalues    325128.63       64189.445       16425371.       16425568.    


     CGMAT cycle number =    102


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999989E-03
 Actual weight    50.432182      is applied to the X-ray term


 function value    16461848.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.007     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.123, B  =  -0.723
Partial structure    1: scale =    0.396, B  =  70.124
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5080
Free R factor                        =     0.5408
Overall figure of merit              =     0.3459
-----------------------------------------------------------------------------
 Trying gamma equal   4.53187036E-04
 Gamma decreased to   4.52527340E-04




 fvalues    325157.00       64010.020       16462206.       16462387.    


     CGMAT cycle number =    103


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999989E-03
 Actual weight    50.308529      is applied to the X-ray term


 function value    16420029.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.007     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.124, B  =  -0.667
Partial structure    1: scale =    0.396, B  =  70.101
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5079
Free R factor                        =     0.5408
Overall figure of merit              =     0.3460
-----------------------------------------------------------------------------
 Trying gamma equal   4.52527340E-04
 Gamma decreased to   4.51927626E-04




 fvalues    325121.34       64082.422       16420395.       16420459.    


     CGMAT cycle number =    104


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999989E-03
 Actual weight    50.469418      is applied to the X-ray term


 function value    16472940.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.007     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.124, B  =  -0.689
Partial structure    1: scale =    0.396, B  =  70.120
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5079
Free R factor                        =     0.5409
Overall figure of merit              =     0.3459
-----------------------------------------------------------------------------
 Trying gamma equal   4.51927626E-04
 Gamma decreased to   4.51382424E-04




 fvalues    325137.81       63896.555       16473197.       16473413.    


     CGMAT cycle number =    105


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   5.00000035E-03
 Actual weight    50.256607      is applied to the X-ray term


 function value    16403499.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.007     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.124, B  =  -0.675
Partial structure    1: scale =    0.396, B  =  70.147
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5078
Free R factor                        =     0.5409
Overall figure of merit              =     0.3461
-----------------------------------------------------------------------------
 Trying gamma equal   4.51382424E-04
 Gamma decreased to   4.50886786E-04




 fvalues    325126.19       64070.859       16403819.       16403810.    


 fvalues    325126.19       64070.859       16403813.       16403810.    


     CGMAT cycle number =    106


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999942E-03
 Actual weight    50.314564      is applied to the X-ray term


 function value    16422752.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.007     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.123, B  =  -0.678
Partial structure    1: scale =    0.396, B  =  70.126
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5078
Free R factor                        =     0.5409
Overall figure of merit              =     0.3460
-----------------------------------------------------------------------------
 Trying gamma equal   4.50886786E-04
 Gamma decreased to   4.50436200E-04




 fvalues    325138.94       64011.875       16423149.       16423236.    


     CGMAT cycle number =    107


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999942E-03
 Actual weight    50.235760      is applied to the X-ray term


 function value    16400001.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.007     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.122, B  =  -0.722
Partial structure    1: scale =    0.396, B  =  71.006
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5077
Free R factor                        =     0.5410
Overall figure of merit              =     0.3461
-----------------------------------------------------------------------------
 Trying gamma equal   4.50436200E-04
 Gamma decreased to   4.50026593E-04




 fvalues    325196.06       63946.594       16400360.       16400418.    


     CGMAT cycle number =    108


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999989E-03
 Actual weight    50.095928      is applied to the X-ray term


 function value    16355922.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.007     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.122, B  =  -0.719
Partial structure    1: scale =    0.396, B  =  70.987
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5077
Free R factor                        =     0.5411
Overall figure of merit              =     0.3462
-----------------------------------------------------------------------------
 Trying gamma equal   4.50026593E-04
 Gamma decreased to   4.49654210E-04




 fvalues    325223.28       64024.512       16356394.       16356387.    


 fvalues    325223.28       64024.512       16356370.       16356387.    


     CGMAT cycle number =    109


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999989E-03
 Actual weight    50.055325      is applied to the X-ray term


 function value    16344474.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.007     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.121, B  =  -0.736
Partial structure    1: scale =    0.396, B  =  71.332
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5077
Free R factor                        =     0.5411
Overall figure of merit              =     0.3462
-----------------------------------------------------------------------------
 Trying gamma equal   4.49654210E-04
 Gamma decreased to   4.49315674E-04




 fvalues    325259.78       63991.645       16344899.       16344976.    


     CGMAT cycle number =    110


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999989E-03
 Actual weight    50.071037      is applied to the X-ray term


 function value    16349991.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.007     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.121, B  =  -0.710
Partial structure    1: scale =    0.396, B  =  71.035
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5077
Free R factor                        =     0.5411
Overall figure of merit              =     0.3463
-----------------------------------------------------------------------------
 Trying gamma equal   4.49315674E-04
 Trying gamma equal   4.50854423E-04
 Trying gamma equal   4.52393171E-04
 Gamma decreased to   4.52085427E-04




 fvalues    325269.25       63976.391       16350408.       16350545.    


     CGMAT cycle number =    111


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999989E-03
 Actual weight    50.044292      is applied to the X-ray term


 function value    16341998.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.007     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.121, B  =  -0.705
Partial structure    1: scale =    0.396, B  =  71.010
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5076
Free R factor                        =     0.5412
Overall figure of merit              =     0.3463
-----------------------------------------------------------------------------
 Trying gamma equal   4.52085427E-04
 Gamma decreased to   4.51805652E-04




 fvalues    325279.69       64013.977       16342384.       16342406.    


     CGMAT cycle number =    112


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999989E-03
 Actual weight    49.966537      is applied to the X-ray term


 function value    16318392.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.007     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.120, B  =  -0.728
Partial structure    1: scale =    0.396, B  =  71.199
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5075
Free R factor                        =     0.5411
Overall figure of merit              =     0.3464
-----------------------------------------------------------------------------
 Trying gamma equal   4.51805652E-04
 Gamma decreased to   4.51551314E-04




 fvalues    325316.84       63988.480       16318870.       16318944.    


     CGMAT cycle number =    113


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999989E-03
 Actual weight    49.932049      is applied to the X-ray term


 function value    16308802.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.007     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.119, B  =  -0.728
Partial structure    1: scale =    0.396, B  =  71.174
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5075
Free R factor                        =     0.5411
Overall figure of merit              =     0.3464
-----------------------------------------------------------------------------
 Trying gamma equal   4.51551314E-04
 Gamma decreased to   4.51320084E-04




 fvalues    325347.22       63986.777       16309118.       16309240.    


     CGMAT cycle number =    114


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999989E-03
 Actual weight    50.093880      is applied to the X-ray term


 function value    16362935.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.007     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.119, B  =  -0.739
Partial structure    1: scale =    0.396, B  =  71.154
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5075
Free R factor                        =     0.5411
Overall figure of merit              =     0.3455
-----------------------------------------------------------------------------
 Trying gamma equal   4.51320084E-04
 Gamma decreased to   4.51109896E-04




 fvalues    325379.22       63958.484       16363364.       16363465.    


     CGMAT cycle number =    115


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999942E-03
 Actual weight    50.979694      is applied to the X-ray term


 function value    16653107.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.007     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.118, B  =  -0.720
Partial structure    1: scale =    0.395, B  =  71.137
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5074
Free R factor                        =     0.5412
Overall figure of merit              =     0.3452
-----------------------------------------------------------------------------
 Trying gamma equal   4.51109896E-04
 Gamma decreased to   4.50918800E-04




 fvalues    325414.72       64109.117       16653482.       16653652.    


     CGMAT cycle number =    116


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999989E-03
 Actual weight    50.558514      is applied to the X-ray term


 function value    16517158.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.007     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.117, B  =  -0.614
Partial structure    1: scale =    0.396, B  =  72.176
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5072
Free R factor                        =     0.5411
Overall figure of merit              =     0.3456
-----------------------------------------------------------------------------
 Trying gamma equal   4.50918800E-04
 Gamma decreased to   4.50745079E-04




 fvalues    325422.97       64637.457       16517627.       16517539.    


 fvalues    325422.97       64637.457       16517577.       16517539.    


     CGMAT cycle number =    117


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999989E-03
 Actual weight    50.495071      is applied to the X-ray term


 function value    16499137.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.007     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.116, B  =  -0.660
Partial structure    1: scale =    0.396, B  =  72.922
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5072
Free R factor                        =     0.5411
Overall figure of merit              =     0.3456
-----------------------------------------------------------------------------
 Trying gamma equal   4.50745079E-04
 Gamma decreased to   4.50587162E-04




 fvalues    325479.69       64561.418       16499601.       16499681.    


     CGMAT cycle number =    118


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999989E-03
 Actual weight    50.617752      is applied to the X-ray term


 function value    16540885.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.007     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.116, B  =  -0.661
Partial structure    1: scale =    0.396, B  =  72.911
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5073
Free R factor                        =     0.5412
Overall figure of merit              =     0.3455
-----------------------------------------------------------------------------
 Trying gamma equal   4.50587162E-04
 Gamma decreased to   4.50443593E-04




 fvalues    325517.34       64398.832       16541279.       16541355.    


     CGMAT cycle number =    119


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999989E-03
 Actual weight    50.535027      is applied to the X-ray term


 function value    16512697.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.007     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.116, B  =  -0.622
Partial structure    1: scale =    0.396, B  =  73.094
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5072
Free R factor                        =     0.5411
Overall figure of merit              =     0.3456
-----------------------------------------------------------------------------
 Trying gamma equal   4.50443593E-04
 Gamma decreased to   4.50313091E-04




 fvalues    325488.78       64571.906       16513134.       16513156.    


     CGMAT cycle number =    120


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999989E-03
 Actual weight    50.628826      is applied to the X-ray term


 function value    16543069.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.007     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.116, B  =  -0.622
Partial structure    1: scale =    0.397, B  =  73.070
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5072
Free R factor                        =     0.5415
Overall figure of merit              =     0.3455
-----------------------------------------------------------------------------
 Trying gamma equal   4.50313091E-04
 Trying gamma equal   4.50906344E-04
 Gamma decreased to   4.50787687E-04




 fvalues    325487.47       64492.195       16543345.       16543540.    


     CGMAT cycle number =    121


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999989E-03
 Actual weight    49.715870      is applied to the X-ray term


 function value    16244679.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.007     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.116, B  =  -0.624
Partial structure    1: scale =    0.397, B  =  73.051
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5071
Free R factor                        =     0.5415
Overall figure of merit              =     0.3462
-----------------------------------------------------------------------------
 Trying gamma equal   4.50787687E-04
 Gamma decreased to   4.50679829E-04




 fvalues    325457.06       64630.133       16245037.       16245011.    


 fvalues    325457.06       64630.133       16244957.       16245011.    


     CGMAT cycle number =    122


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999942E-03
 Actual weight    49.911533      is applied to the X-ray term


 function value    16310842.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.007     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.116, B  =  -0.695
Partial structure    1: scale =    0.397, B  =  73.039
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5071
Free R factor                        =     0.5415
Overall figure of merit              =     0.3460
-----------------------------------------------------------------------------
 Trying gamma equal   4.50679829E-04
 Gamma decreased to   4.50581778E-04




 fvalues    325514.28       64323.617       16311171.       16311241.    


     CGMAT cycle number =    123


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999989E-03
 Actual weight    50.292969      is applied to the X-ray term


 function value    16426649.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.007     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.119, B  =  -0.570
Partial structure    1: scale =    0.397, B  =  73.056
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5071
Free R factor                        =     0.5421
Overall figure of merit              =     0.3456
-----------------------------------------------------------------------------
 Trying gamma equal   4.50581778E-04
 Trying gamma equal   4.51027503E-04
 Trying gamma equal   4.51473228E-04
 Trying gamma equal   4.51918953E-04
 Trying gamma equal   4.52364678E-04
 Trying gamma equal   4.52810404E-04
 Trying gamma equal   4.53256129E-04
 Trying gamma equal   4.53701854E-04
 Trying gamma equal   4.54147579E-04
 Trying gamma equal   4.54593304E-04
 Trying gamma equal   4.55039029E-04
 Trying gamma equal   4.55484755E-04
 Trying gamma equal   4.55930480E-04
 Trying gamma equal   4.56376205E-04
 Trying gamma equal   4.56821930E-04
 Trying gamma equal   4.57267655E-04
 Trying gamma equal   4.57713380E-04
 Trying gamma equal   4.58159106E-04
 Trying gamma equal   4.58604831E-04
 Trying gamma equal   4.59050556E-04
 Trying gamma equal   4.59496281E-04
 Trying gamma equal   4.59942006E-04
 Trying gamma equal   4.60387731E-04
 Trying gamma equal   4.60833457E-04
 Trying gamma equal   4.61279182E-04
 Trying gamma equal   4.61724907E-04
 Trying gamma equal   4.62170632E-04
 Trying gamma equal   4.62616357E-04
 Trying gamma equal   4.63062082E-04
 Trying gamma equal   4.63507808E-04
 Trying gamma equal   4.63953533E-04
 Trying gamma equal   4.64399258E-04
 Trying gamma equal   4.64844983E-04
 Trying gamma equal   4.65290708E-04
 Trying gamma equal   4.65736433E-04
 Trying gamma equal   4.66182159E-04
 Trying gamma equal   4.66627884E-04
 Trying gamma equal   4.67073609E-04
 Trying gamma equal   4.67519334E-04
 Trying gamma equal   4.67965059E-04
 Trying gamma equal   4.68410784E-04
 Trying gamma equal   4.68856510E-04
 Trying gamma equal   4.69302235E-04
 Trying gamma equal   4.69747960E-04
 Trying gamma equal   4.70193685E-04
 Trying gamma equal   4.70639410E-04
 Trying gamma equal   4.71085135E-04
 Trying gamma equal   4.71530861E-04
 Trying gamma equal   4.71976586E-04
 Trying gamma equal   4.72422311E-04
 Trying gamma equal   4.72868036E-04
 Trying gamma equal   4.73313761E-04
 Trying gamma equal   4.73759486E-04
 Trying gamma equal   4.74205212E-04
 Trying gamma equal   4.74650937E-04
 Trying gamma equal   4.75096662E-04
 Trying gamma equal   4.75542387E-04
 Trying gamma equal   4.75988112E-04
 Trying gamma equal   4.76433837E-04
 Trying gamma equal   4.76879562E-04
 Trying gamma equal   4.77325288E-04
 Gamma decreased to   4.77236143E-04




 fvalues    325348.69       64264.699       16426990.       16427016.    


     CGMAT cycle number =    124


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999989E-03
 Actual weight    50.259602      is applied to the X-ray term


 function value    16414049.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.007     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.119, B  =  -0.594
Partial structure    1: scale =    0.398, B  =  73.120
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5070
Free R factor                        =     0.5422
Overall figure of merit              =     0.3456
-----------------------------------------------------------------------------
 Trying gamma equal   4.77236143E-04
 Gamma decreased to   4.77155088E-04




 fvalues    325313.63       64320.578       16414316.       16414454.    


     CGMAT cycle number =    125


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999989E-03
 Actual weight    50.035561      is applied to the X-ray term


 function value    16344544.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.007     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.118, B  =  -0.702
Partial structure    1: scale =    0.398, B  =  74.672
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5069
Free R factor                        =     0.5422
Overall figure of merit              =     0.3459
-----------------------------------------------------------------------------
 Trying gamma equal   4.77155088E-04
 Gamma decreased to   4.77081427E-04




 fvalues    325383.94       64277.391       16344995.       16345045.    


     CGMAT cycle number =    126


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   5.00000035E-03
 Actual weight    50.233871      is applied to the X-ray term


 function value    16405414.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.007     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.119, B  =  -0.598
Partial structure    1: scale =    0.401, B  =  74.851
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5069
Free R factor                        =     0.5422
Overall figure of merit              =     0.3457
-----------------------------------------------------------------------------
 Trying gamma equal   4.77081427E-04
 Gamma decreased to   4.77014459E-04




 fvalues    325308.59       64267.094       16405745.       16405777.    


     CGMAT cycle number =    127


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999989E-03
 Actual weight    50.172234      is applied to the X-ray term


 function value    16384745.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.007     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.120, B  =  -0.621
Partial structure    1: scale =    0.401, B  =  74.871
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5068
Free R factor                        =     0.5424
Overall figure of merit              =     0.3458
-----------------------------------------------------------------------------
 Trying gamma equal   4.77014459E-04
 Gamma decreased to   4.76953574E-04




 fvalues    325295.84       64324.410       16384983.       16385143.    


     CGMAT cycle number =    128


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   5.00000035E-03
 Actual weight    50.083149      is applied to the X-ray term


 function value    16358850.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.007     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.118, B  =  -0.677
Partial structure    1: scale =    0.401, B  =  75.932
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5068
Free R factor                        =     0.5424
Overall figure of merit              =     0.3458
-----------------------------------------------------------------------------
 Trying gamma equal   4.76953574E-04
 Gamma decreased to   4.76898218E-04




 fvalues    325358.34       64271.383       16360410.       16359241.    


 fvalues    325358.34       64271.383       16360465.       16359241.    


     CGMAT cycle number =    129


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999989E-03
 Actual weight    50.039505      is applied to the X-ray term


 function value    16346583.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.007     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.118, B  =  -0.687
Partial structure    1: scale =    0.401, B  =  76.078
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5068
Free R factor                        =     0.5424
Overall figure of merit              =     0.3459
-----------------------------------------------------------------------------
 Trying gamma equal   4.76898218E-04
 Gamma decreased to   4.76847898E-04




 fvalues    325372.03       65514.484       16346920.       16346969.    


     CGMAT cycle number =    130


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999989E-03
 Actual weight    50.036224      is applied to the X-ray term


 function value    16344358.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.007     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.119, B  =  -0.654
Partial structure    1: scale =    0.402, B  =  76.039
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5068
Free R factor                        =     0.5424
Overall figure of merit              =     0.3459
-----------------------------------------------------------------------------
 Trying gamma equal   4.76847898E-04
 Gamma decreased to   4.76802146E-04




 fvalues    325349.44       65495.574       16344690.       16344753.    


     CGMAT cycle number =    131


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999942E-03
 Actual weight    50.021191      is applied to the X-ray term


 function value    16340860.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.007     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.118, B  =  -0.666
Partial structure    1: scale =    0.402, B  =  76.010
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5068
Free R factor                        =     0.5423
Overall figure of merit              =     0.3459
-----------------------------------------------------------------------------
 Trying gamma equal   4.76802146E-04
 Gamma decreased to   4.76760557E-04




 fvalues    325379.56       65453.598       16341304.       16341327.    


     CGMAT cycle number =    132


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999989E-03
 Actual weight    49.341770      is applied to the X-ray term


 function value    16118027.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.007     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.118, B  =  -0.649
Partial structure    1: scale =    0.401, B  =  75.338
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5067
Free R factor                        =     0.5422
Overall figure of merit              =     0.3464
-----------------------------------------------------------------------------
 Trying gamma equal   4.76760557E-04
 Gamma decreased to   4.76722751E-04




 fvalues    325341.88       65430.570       16118337.       16118375.    


     CGMAT cycle number =    133


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999989E-03
 Actual weight    49.521259      is applied to the X-ray term


 function value    16179349.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.007     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.117, B  =  -0.804
Partial structure    1: scale =    0.401, B  =  75.345
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5068
Free R factor                        =     0.5421
Overall figure of merit              =     0.3462
-----------------------------------------------------------------------------
 Trying gamma equal   4.76722751E-04
 Gamma decreased to   4.76688379E-04




 fvalues    325414.06       64973.230       16179854.       16179887.    


     CGMAT cycle number =    134


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999989E-03
 Actual weight    50.331860      is applied to the X-ray term


 function value    16440729.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.007     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.118, B  =  -0.718
Partial structure    1: scale =    0.401, B  =  75.121
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5067
Free R factor                        =     0.5422
Overall figure of merit              =     0.3460
-----------------------------------------------------------------------------
 Trying gamma equal   4.76688379E-04
 Gamma decreased to   4.76657122E-04




 fvalues    325365.06       65162.531       16441272.       16441392.    


     CGMAT cycle number =    135


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999942E-03
 Actual weight    50.195793      is applied to the X-ray term


 function value    16396900.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.007     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.118, B  =  -0.619
Partial structure    1: scale =    0.402, B  =  75.079
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5065
Free R factor                        =     0.5423
Overall figure of merit              =     0.3461
-----------------------------------------------------------------------------
 Trying gamma equal   4.76657122E-04
 Gamma decreased to   4.76628717E-04




 fvalues    325363.94       65482.277       16397279.       16397383.    


     CGMAT cycle number =    136


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999989E-03
 Actual weight    49.980835      is applied to the X-ray term


 function value    16328105.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.007     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.118, B  =  -0.680
Partial structure    1: scale =    0.401, B  =  75.088
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5065
Free R factor                        =     0.5422
Overall figure of merit              =     0.3468
-----------------------------------------------------------------------------
 Trying gamma equal   4.76628717E-04
 Gamma decreased to   4.76602901E-04




 fvalues    325389.81       65289.305       16328583.       16328544.    


 fvalues    325389.81       65289.305       16328474.       16328544.    


     CGMAT cycle number =    137


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999989E-03
 Actual weight    49.854794      is applied to the X-ray term


 function value    16287020.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.007     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.118, B  =  -0.701
Partial structure    1: scale =    0.401, B  =  75.504
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5065
Free R factor                        =     0.5423
Overall figure of merit              =     0.3469
-----------------------------------------------------------------------------
 Trying gamma equal   4.76602901E-04
 Gamma decreased to   4.76579415E-04




 fvalues    325387.16       65386.387       16287453.       16287495.    


     CGMAT cycle number =    138


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999989E-03
 Actual weight    49.788612      is applied to the X-ray term


 function value    16264906.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.007     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.118, B  =  -0.732
Partial structure    1: scale =    0.401, B  =  75.598
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5064
Free R factor                        =     0.5423
Overall figure of merit              =     0.3470
-----------------------------------------------------------------------------
 Trying gamma equal   4.76579415E-04
 Gamma decreased to   4.76558082E-04




 fvalues    325376.84       65344.359       16265377.       16265406.    


     CGMAT cycle number =    139


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999942E-03
 Actual weight    49.869915      is applied to the X-ray term


 function value    16289076.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.007     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.119, B  =  -0.695
Partial structure    1: scale =    0.402, B  =  75.443
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5064
Free R factor                        =     0.5422
Overall figure of merit              =     0.3470
-----------------------------------------------------------------------------
 Trying gamma equal   4.76558082E-04
 Gamma decreased to   4.76538669E-04




 fvalues    325330.25       65337.754       16289387.       16289530.    


     CGMAT cycle number =    140


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   5.00000035E-03
 Actual weight    49.902203      is applied to the X-ray term


 function value    16296970.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.007     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.120, B  =  -0.686
Partial structure    1: scale =    0.403, B  =  75.409
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5063
Free R factor                        =     0.5423
Overall figure of merit              =     0.3470
-----------------------------------------------------------------------------
 Trying gamma equal   4.76538669E-04
 Gamma decreased to   4.76521032E-04




 fvalues    325276.03       65359.223       16297311.       16297349.    


     CGMAT cycle number =    141


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999942E-03
 Actual weight    49.928791      is applied to the X-ray term


 function value    16305841.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.007     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.120, B  =  -0.705
Partial structure    1: scale =    0.403, B  =  75.270
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5063
Free R factor                        =     0.5423
Overall figure of merit              =     0.3469
-----------------------------------------------------------------------------
 Trying gamma equal   4.76521032E-04
 Gamma decreased to   4.76504996E-04




 fvalues    325281.34       65391.109       16306202.       16306295.    


     CGMAT cycle number =    142


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   5.00000035E-03
 Actual weight    50.125069      is applied to the X-ray term


 function value    16369638.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.007     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.120, B  =  -0.715
Partial structure    1: scale =    0.403, B  =  75.201
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5063
Free R factor                        =     0.5424
Overall figure of merit              =     0.3467
-----------------------------------------------------------------------------
 Trying gamma equal   4.76504996E-04
 Gamma decreased to   4.76490415E-04




 fvalues    325279.09       65386.137       16369986.       16370023.    


     CGMAT cycle number =    143


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999989E-03
 Actual weight    49.868511      is applied to the X-ray term


 function value    16289035.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.007     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.119, B  =  -0.672
Partial structure    1: scale =    0.403, B  =  75.903
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5062
Free R factor                        =     0.5425
Overall figure of merit              =     0.3469
-----------------------------------------------------------------------------
 Trying gamma equal   4.76490415E-04
 Gamma decreased to   4.76477173E-04




 fvalues    325334.38       65504.219       16289366.       16289445.    


     CGMAT cycle number =    144


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999989E-03
 Actual weight    50.041859      is applied to the X-ray term


 function value    16344466.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.007     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.119, B  =  -0.675
Partial structure    1: scale =    0.403, B  =  75.338
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5062
Free R factor                        =     0.5425
Overall figure of merit              =     0.3468
-----------------------------------------------------------------------------
 Trying gamma equal   4.76477173E-04
 Gamma decreased to   4.76465124E-04




 fvalues    325319.47       65276.980       16344889.       16344868.    


 fvalues    325319.47       65276.980       16344873.       16344868.    


     CGMAT cycle number =    145


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999989E-03
 Actual weight    50.054150      is applied to the X-ray term


 function value    16347870.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.007     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.119, B  =  -0.660
Partial structure    1: scale =    0.402, B  =  74.935
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5062
Free R factor                        =     0.5425
Overall figure of merit              =     0.3468
-----------------------------------------------------------------------------
 Trying gamma equal   4.76465124E-04
 Gamma decreased to   4.76454181E-04




 fvalues    325307.69       65318.875       16348299.       16348319.    


     CGMAT cycle number =    146


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   5.00000035E-03
 Actual weight    50.925152      is applied to the X-ray term


 function value    16631328.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.007     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.119, B  =  -0.661
Partial structure    1: scale =    0.402, B  =  74.903
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5062
Free R factor                        =     0.5425
Overall figure of merit              =     0.3465
-----------------------------------------------------------------------------
 Trying gamma equal   4.76454181E-04
 Gamma decreased to   4.76444227E-04




 fvalues    325307.88       65451.211       16631699.       16631804.    


     CGMAT cycle number =    147


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999989E-03
 Actual weight    50.126221      is applied to the X-ray term


 function value    16367699.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.007     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.121, B  =  -0.506
Partial structure    1: scale =    0.402, B  =  74.213
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5059
Free R factor                        =     0.5425
Overall figure of merit              =     0.3493
-----------------------------------------------------------------------------
 Trying gamma equal   4.76444227E-04
 Gamma decreased to   4.76435176E-04




 fvalues    325217.91       65953.047       16367975.       16367898.    


 fvalues    325217.91       65953.047       16367830.       16367898.    


     CGMAT cycle number =    148


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999942E-03
 Actual weight    50.195419      is applied to the X-ray term


 function value    16391018.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.007     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.121, B  =  -0.569
Partial structure    1: scale =    0.402, B  =  74.180
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5059
Free R factor                        =     0.5424
Overall figure of merit              =     0.3492
-----------------------------------------------------------------------------
 Trying gamma equal   4.76435176E-04
 Gamma decreased to   4.76426940E-04




 fvalues    325239.03       65741.922       16391283.       16391252.    


 fvalues    325239.03       65741.922       16391299.       16391252.    


     CGMAT cycle number =    149


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   5.00000035E-03
 Actual weight    50.139053      is applied to the X-ray term


 function value    16373500.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.007     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.120, B  =  -0.606
Partial structure    1: scale =    0.402, B  =  74.160
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5059
Free R factor                        =     0.5424
Overall figure of merit              =     0.3493
-----------------------------------------------------------------------------
 Trying gamma equal   4.76426940E-04
 Gamma decreased to   4.76419460E-04




 fvalues    325255.66       65719.742       16373741.       16373731.    


 fvalues    325255.66       65719.742       16373771.       16373731.    


     CGMAT cycle number =    150


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999989E-03
 Actual weight    50.166634      is applied to the X-ray term


 function value    16382660.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.007     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.120, B  =  -0.617
Partial structure    1: scale =    0.402, B  =  74.143
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5059
Free R factor                        =     0.5424
Overall figure of merit              =     0.3492
-----------------------------------------------------------------------------
 Trying gamma equal   4.76419460E-04
 Gamma decreased to   4.76412650E-04




 fvalues    325260.88       65698.500       16382913.       16382942.    


     CGMAT cycle number =    151


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999942E-03
 Actual weight    50.115208      is applied to the X-ray term


 function value    16366097.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.007     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.120, B  =  -0.668
Partial structure    1: scale =    0.402, B  =  74.125
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5058
Free R factor                        =     0.5424
Overall figure of merit              =     0.3493
-----------------------------------------------------------------------------
 Trying gamma equal   4.76412650E-04
 Gamma decreased to   4.76406480E-04




 fvalues    325266.94       65686.852       16366452.       16366507.    


     CGMAT cycle number =    152


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999989E-03
 Actual weight    50.133259      is applied to the X-ray term


 function value    16371474.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.007     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.120, B  =  -0.673
Partial structure    1: scale =    0.402, B  =  74.097
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5058
Free R factor                        =     0.5425
Overall figure of merit              =     0.3493
-----------------------------------------------------------------------------
 Trying gamma equal   4.76406480E-04
 Gamma decreased to   4.76400863E-04




 fvalues    325256.75       65692.875       16371879.       16371874.    


 fvalues    325256.75       65692.875       16371870.       16371874.    


     CGMAT cycle number =    153


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999942E-03
 Actual weight    50.137318      is applied to the X-ray term


 function value    16372460.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.006     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.120, B  =  -0.673
Partial structure    1: scale =    0.402, B  =  74.053
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5058
Free R factor                        =     0.5425
Overall figure of merit              =     0.3493
-----------------------------------------------------------------------------
 Trying gamma equal   4.76400863E-04
 Gamma decreased to   4.76395740E-04




 fvalues    325249.72       65715.656       16372856.       16372864.    


     CGMAT cycle number =    154


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999942E-03
 Actual weight    50.138020      is applied to the X-ray term


 function value    16372937.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.006     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.120, B  =  -0.679
Partial structure    1: scale =    0.402, B  =  74.116
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5058
Free R factor                        =     0.5424
Overall figure of merit              =     0.3493
-----------------------------------------------------------------------------
 Trying gamma equal   4.76395740E-04
 Gamma decreased to   4.76391084E-04




 fvalues    325254.13       65744.844       16373274.       16373343.    


     CGMAT cycle number =    155


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999942E-03
 Actual weight    50.133045      is applied to the X-ray term


 function value    16371265.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.006     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.120, B  =  -0.681
Partial structure    1: scale =    0.402, B  =  74.129
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5058
Free R factor                        =     0.5424
Overall figure of merit              =     0.3493
-----------------------------------------------------------------------------
 Trying gamma equal   4.76391084E-04
 Gamma decreased to   4.76386864E-04




 fvalues    325254.50       65735.492       16371634.       16371734.    


     CGMAT cycle number =    156


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   5.00000035E-03
 Actual weight    50.307812      is applied to the X-ray term


 function value    16428740.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.006     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.120, B  =  -0.689
Partial structure    1: scale =    0.402, B  =  74.122
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5057
Free R factor                        =     0.5425
Overall figure of merit              =     0.3490
-----------------------------------------------------------------------------
 Trying gamma equal   4.76386864E-04
 Gamma decreased to   4.76383022E-04




 fvalues    325267.53       65721.828       16429153.       16429220.    


     CGMAT cycle number =    157


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999989E-03
 Actual weight    50.129993      is applied to the X-ray term


 function value    16371061.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.006     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.120, B  =  -0.611
Partial structure    1: scale =    0.402, B  =  74.197
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5056
Free R factor                        =     0.5425
Overall figure of merit              =     0.3492
-----------------------------------------------------------------------------
 Trying gamma equal   4.76383022E-04
 Gamma decreased to   4.76379530E-04




 fvalues    325268.50       65814.445       16370222.       16371522.    


     CGMAT cycle number =    158


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999989E-03
 Actual weight    50.274754      is applied to the X-ray term


 function value    16416327.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.006     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.120, B  =  -0.622
Partial structure    1: scale =    0.402, B  =  74.129
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5056
Free R factor                        =     0.5425
Overall figure of merit              =     0.3491
-----------------------------------------------------------------------------
 Trying gamma equal   4.76379530E-04
 Gamma decreased to   4.76376357E-04




 fvalues    325259.75       64380.227       16416702.       16416734.    


     CGMAT cycle number =    159


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999989E-03
 Actual weight    51.182274      is applied to the X-ray term


 function value    16710163.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.006     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.121, B  =  -0.597
Partial structure    1: scale =    0.402, B  =  73.589
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5055
Free R factor                        =     0.5425
Overall figure of merit              =     0.3487
-----------------------------------------------------------------------------
 Trying gamma equal   4.76376357E-04
 Gamma decreased to   4.76373476E-04




 fvalues    325230.97       64526.090       16710500.       16710587.    


     CGMAT cycle number =    160


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999989E-03
 Actual weight    51.281921      is applied to the X-ray term


 function value    16736036.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.006     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.123, B  =  -0.390
Partial structure    1: scale =    0.402, B  =  72.316
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5054
Free R factor                        =     0.5426
Overall figure of merit              =     0.3487
-----------------------------------------------------------------------------
 Trying gamma equal   4.76373476E-04
 Gamma decreased to   4.76370857E-04




 fvalues    325089.38       65057.211       16736287.       16736265.    


 fvalues    325089.38       65057.211       16736232.       16736265.    


     CGMAT cycle number =    161


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999942E-03
 Actual weight    51.350975      is applied to the X-ray term


 function value    16756894.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.006     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.124, B  =  -0.417
Partial structure    1: scale =    0.403, B  =  72.323
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5054
Free R factor                        =     0.5426
Overall figure of merit              =     0.3486
-----------------------------------------------------------------------------
 Trying gamma equal   4.76370857E-04
 Gamma decreased to   4.76368470E-04




 fvalues    325061.28       64986.863       16757184.       16757201.    


     CGMAT cycle number =    162


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999989E-03
 Actual weight    51.335152      is applied to the X-ray term


 function value    16750728.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.006     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.124, B  =  -0.470
Partial structure    1: scale =    0.403, B  =  72.320
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5053
Free R factor                        =     0.5427
Overall figure of merit              =     0.3486
-----------------------------------------------------------------------------
 Trying gamma equal   4.76368470E-04
 Gamma decreased to   4.76366316E-04




 fvalues    325040.44       65081.168       16751009.       16751081.    


     CGMAT cycle number =    163


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   5.00000035E-03
 Actual weight    51.237076      is applied to the X-ray term


 function value    16720126.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.006     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.124, B  =  -0.517
Partial structure    1: scale =    0.404, B  =  73.158
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5052
Free R factor                        =     0.5427
Overall figure of merit              =     0.3487
-----------------------------------------------------------------------------
 Trying gamma equal   4.76366316E-04
 Gamma decreased to   4.76364337E-04




 fvalues    325062.41       65185.051       16720430.       16720432.    


     CGMAT cycle number =    164


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999989E-03
 Actual weight    51.248611      is applied to the X-ray term


 function value    16724168.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.006     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.124, B  =  -0.513
Partial structure    1: scale =    0.403, B  =  73.149
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5052
Free R factor                        =     0.5427
Overall figure of merit              =     0.3487
-----------------------------------------------------------------------------
 Trying gamma equal   4.76364337E-04
 Gamma decreased to   4.76362533E-04




 fvalues    325066.63       65254.398       16724448.       16724467.    


     CGMAT cycle number =    165


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999989E-03
 Actual weight    51.138290      is applied to the X-ray term


 function value    16689588.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.006     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.123, B  =  -0.541
Partial structure    1: scale =    0.404, B  =  74.153
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5052
Free R factor                        =     0.5427
Overall figure of merit              =     0.3488
-----------------------------------------------------------------------------
 Trying gamma equal   4.76362533E-04
 Gamma decreased to   4.76360903E-04




 fvalues    325091.34       65315.535       16689884.       16689932.    


     CGMAT cycle number =    166


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999989E-03
 Actual weight    50.449345      is applied to the X-ray term


 function value    16468675.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.006     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.122, B  =  -0.585
Partial structure    1: scale =    0.404, B  =  75.134
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5052
Free R factor                        =     0.5428
Overall figure of merit              =     0.3502
-----------------------------------------------------------------------------
 Trying gamma equal   4.76360903E-04
 Gamma decreased to   4.76359419E-04




 fvalues    325151.53       65344.945       16468967.       16469027.    


     CGMAT cycle number =    167


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999989E-03
 Actual weight    50.324184      is applied to the X-ray term


 function value    16426875.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.006     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.122, B  =  -0.692
Partial structure    1: scale =    0.404, B  =  75.108
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5051
Free R factor                        =     0.5426
Overall figure of merit              =     0.3504
-----------------------------------------------------------------------------
 Trying gamma equal   4.76359419E-04
 Gamma decreased to   4.76358080E-04




 fvalues    325132.69       65327.887       16427291.       16427365.    


     CGMAT cycle number =    168


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999989E-03
 Actual weight    50.372097      is applied to the X-ray term


 function value    16442987.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.006     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.122, B  =  -0.705
Partial structure    1: scale =    0.404, B  =  75.126
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5050
Free R factor                        =     0.5425
Overall figure of merit              =     0.3504
-----------------------------------------------------------------------------
 Trying gamma equal   4.76358080E-04
 Gamma decreased to   4.76356858E-04




 fvalues    325142.88       65321.230       16443411.       16443449.    


     CGMAT cycle number =    169


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999989E-03
 Actual weight    50.279835      is applied to the X-ray term


 function value    16413289.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.006     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.122, B  =  -0.711
Partial structure    1: scale =    0.404, B  =  75.411
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5050
Free R factor                        =     0.5425
Overall figure of merit              =     0.3505
-----------------------------------------------------------------------------
 Trying gamma equal   4.76356858E-04
 Gamma decreased to   4.76355752E-04




 fvalues    325146.91       65409.445       16413717.       16413742.    


     CGMAT cycle number =    170


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999989E-03
 Actual weight    50.260036      is applied to the X-ray term


 function value    16408107.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.006     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.122, B  =  -0.732
Partial structure    1: scale =    0.404, B  =  75.394
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5050
Free R factor                        =     0.5425
Overall figure of merit              =     0.3505
-----------------------------------------------------------------------------
 Trying gamma equal   4.76355752E-04
 Gamma decreased to   4.76354733E-04




 fvalues    325171.81       65420.020       16408540.       16408567.    


     CGMAT cycle number =    171


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999989E-03
 Actual weight    50.290543      is applied to the X-ray term


 function value    16417214.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.006     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.122, B  =  -0.707
Partial structure    1: scale =    0.404, B  =  75.381
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5050
Free R factor                        =     0.5424
Overall figure of merit              =     0.3505
-----------------------------------------------------------------------------
 Trying gamma equal   4.76354733E-04
 Gamma decreased to   4.76353802E-04




 fvalues    325153.28       65499.539       16417574.       16417635.    


     CGMAT cycle number =    172


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999989E-03
 Actual weight    50.166519      is applied to the X-ray term


 function value    16380001.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.006     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.121, B  =  -0.773
Partial structure    1: scale =    0.405, B  =  76.940
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5049
Free R factor                        =     0.5425
Overall figure of merit              =     0.3506
-----------------------------------------------------------------------------
 Trying gamma equal   4.76353802E-04
 Gamma decreased to   4.76352958E-04




 fvalues    325216.06       65490.250       16380402.       16380448.    


     CGMAT cycle number =    173


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   5.00000035E-03
 Actual weight    50.085518      is applied to the X-ray term


 function value    16354561.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.006     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.120, B  =  -0.784
Partial structure    1: scale =    0.405, B  =  76.928
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5050
Free R factor                        =     0.5426
Overall figure of merit              =     0.3506
-----------------------------------------------------------------------------
 Trying gamma equal   4.76352958E-04
 Gamma decreased to   4.76352201E-04




 fvalues    325234.44       65533.203       16355092.       16355068.    


 fvalues    325234.44       65533.203       16355071.       16355068.    


     CGMAT cycle number =    174


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999942E-03
 Actual weight    50.068401      is applied to the X-ray term


 function value    16350095.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.006     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.120, B  =  -0.795
Partial structure    1: scale =    0.405, B  =  77.543
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5049
Free R factor                        =     0.5426
Overall figure of merit              =     0.3506
-----------------------------------------------------------------------------
 Trying gamma equal   4.76352201E-04
 Gamma decreased to   4.76351503E-04




 fvalues    325258.66       65520.379       16350706.       16350701.    


 fvalues    325258.66       65520.379       16350702.       16350701.    


     CGMAT cycle number =    175


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999989E-03
 Actual weight    50.038033      is applied to the X-ray term


 function value    16340067.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.006     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.120, B  =  -0.794
Partial structure    1: scale =    0.406, B  =  77.513
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5049
Free R factor                        =     0.5426
Overall figure of merit              =     0.3507
-----------------------------------------------------------------------------
 Trying gamma equal   4.76351503E-04
 Gamma decreased to   4.76350862E-04




 fvalues    325255.50       65524.336       16340645.       16340669.    


     CGMAT cycle number =    176


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999989E-03
 Actual weight    50.145672      is applied to the X-ray term


 function value    16374616.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.006     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.120, B  =  -0.758
Partial structure    1: scale =    0.405, B  =  77.318
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5049
Free R factor                        =     0.5426
Overall figure of merit              =     0.3506
-----------------------------------------------------------------------------
 Trying gamma equal   4.76350862E-04
 Gamma decreased to   4.76350280E-04




 fvalues    325245.47       65516.820       16375208.       16375170.    


 fvalues    325245.47       65516.820       16375164.       16375170.    


     CGMAT cycle number =    177


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999942E-03
 Actual weight    50.127277      is applied to the X-ray term


 function value    16368523.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.006     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.120, B  =  -0.758
Partial structure    1: scale =    0.405, B  =  77.241
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5049
Free R factor                        =     0.5426
Overall figure of merit              =     0.3506
-----------------------------------------------------------------------------
 Trying gamma equal   4.76350280E-04
 Gamma decreased to   4.76349756E-04




 fvalues    325241.88       65551.984       16369069.       16369042.    


 fvalues    325241.88       65551.984       16369094.       16369042.    


     CGMAT cycle number =    178


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999989E-03
 Actual weight    50.090076      is applied to the X-ray term


 function value    16356581.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.006     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.120, B  =  -0.766
Partial structure    1: scale =    0.405, B  =  77.205
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5049
Free R factor                        =     0.5427
Overall figure of merit              =     0.3506
-----------------------------------------------------------------------------
 Trying gamma equal   4.76349756E-04
 Gamma decreased to   4.76349291E-04




 fvalues    325244.88       65561.703       16357137.       16357103.    


 fvalues    325244.88       65561.703       16357133.       16357103.    


     CGMAT cycle number =    179


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999989E-03
 Actual weight    50.092964      is applied to the X-ray term


 function value    16357484.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.006     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.120, B  =  -0.766
Partial structure    1: scale =    0.406, B  =  77.175
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5049
Free R factor                        =     0.5426
Overall figure of merit              =     0.3507
-----------------------------------------------------------------------------
 Trying gamma equal   4.76349291E-04
 Gamma decreased to   4.76348854E-04




 fvalues    325244.31       65559.797       16358027.       16358012.    


 fvalues    325244.31       65559.797       16358006.       16358012.    


     CGMAT cycle number =    180


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999989E-03
 Actual weight    50.157665      is applied to the X-ray term


 function value    16378125.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.006     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.120, B  =  -0.753
Partial structure    1: scale =    0.405, B  =  77.124
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5049
Free R factor                        =     0.5426
Overall figure of merit              =     0.3506
-----------------------------------------------------------------------------
 Trying gamma equal   4.76348854E-04
 Gamma decreased to   4.76348476E-04




 fvalues    325235.69       65597.281       16378618.       16378660.    


     CGMAT cycle number =    181


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999989E-03
 Actual weight    50.152977      is applied to the X-ray term


 function value    16376162.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.006     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.121, B  =  -0.749
Partial structure    1: scale =    0.405, B  =  77.069
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5048
Free R factor                        =     0.5427
Overall figure of merit              =     0.3506
-----------------------------------------------------------------------------
 Trying gamma equal   4.76348476E-04
 Gamma decreased to   4.76348127E-04




 fvalues    325223.84       65689.961       16376659.       16376634.    


 fvalues    325223.84       65689.961       16376626.       16376634.    


     CGMAT cycle number =    182


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999942E-03
 Actual weight    50.122707      is applied to the X-ray term


 function value    16366488.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.006     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.121, B  =  -0.760
Partial structure    1: scale =    0.406, B  =  77.041
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5048
Free R factor                        =     0.5427
Overall figure of merit              =     0.3506
-----------------------------------------------------------------------------
 Trying gamma equal   4.76348127E-04
 Gamma decreased to   4.76347806E-04




 fvalues    325227.13       65709.992       16367052.       16366974.    


 fvalues    325227.13       65709.992       16366983.       16366974.    


     CGMAT cycle number =    183


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999989E-03
 Actual weight    50.150921      is applied to the X-ray term


 function value    16375837.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.006     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.120, B  =  -0.757
Partial structure    1: scale =    0.405, B  =  77.019
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5048
Free R factor                        =     0.5427
Overall figure of merit              =     0.3506
-----------------------------------------------------------------------------
 Trying gamma equal   4.76347806E-04
 Gamma decreased to   4.76347515E-04




 fvalues    325229.63       65720.203       16376375.       16376285.    


 fvalues    325229.63       65720.203       16376316.       16376285.    


     CGMAT cycle number =    184


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   5.00000035E-03
 Actual weight    50.156078      is applied to the X-ray term


 function value    16377534.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.006     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.120, B  =  -0.756
Partial structure    1: scale =    0.405, B  =  76.984
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5048
Free R factor                        =     0.5427
Overall figure of merit              =     0.3506
-----------------------------------------------------------------------------
 Trying gamma equal   4.76347515E-04
 Gamma decreased to   4.76347253E-04




 fvalues    325229.72       65733.328       16378099.       16377980.    


 fvalues    325229.72       65733.328       16378036.       16377980.    


     CGMAT cycle number =    185


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999989E-03
 Actual weight    50.117161      is applied to the X-ray term


 function value    16365055.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.006     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.120, B  =  -0.764
Partial structure    1: scale =    0.406, B  =  76.952
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5048
Free R factor                        =     0.5427
Overall figure of merit              =     0.3507
-----------------------------------------------------------------------------
 Trying gamma equal   4.76347253E-04
 Gamma decreased to   4.76347021E-04




 fvalues    325233.03       65747.383       16365559.       16365503.    


 fvalues    325233.03       65747.383       16365573.       16365503.    


     CGMAT cycle number =    186


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999989E-03
 Actual weight    50.306934      is applied to the X-ray term


 function value    16427054.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.006     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.120, B  =  -0.764
Partial structure    1: scale =    0.406, B  =  76.919
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5048
Free R factor                        =     0.5427
Overall figure of merit              =     0.3503
-----------------------------------------------------------------------------
 Trying gamma equal   4.76347021E-04
 Gamma decreased to   4.76346788E-04




 fvalues    325240.34       65755.148       16427605.       16427600.    


 fvalues    325240.34       65755.148       16427669.       16427600.    


     CGMAT cycle number =    187


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999989E-03
 Actual weight    50.338875      is applied to the X-ray term


 function value    16437074.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.006     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.121, B  =  -0.730
Partial structure    1: scale =    0.405, B  =  76.832
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5048
Free R factor                        =     0.5427
Overall figure of merit              =     0.3503
-----------------------------------------------------------------------------
 Trying gamma equal   4.76346788E-04
 Gamma decreased to   4.76346584E-04




 fvalues    325233.25       65792.953       16437612.       16437669.    


     CGMAT cycle number =    188


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999942E-03
 Actual weight    50.275974      is applied to the X-ray term


 function value    16415756.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.006     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.121, B  =  -0.656
Partial structure    1: scale =    0.405, B  =  76.555
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5047
Free R factor                        =     0.5426
Overall figure of merit              =     0.3504
-----------------------------------------------------------------------------
 Trying gamma equal   4.76346584E-04
 Gamma decreased to   4.76346409E-04




 fvalues    325212.19       65895.828       16416197.       16416256.    


     CGMAT cycle number =    189


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999989E-03
 Actual weight    50.299286      is applied to the X-ray term


 function value    16422985.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.006     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.121, B  =  -0.674
Partial structure    1: scale =    0.406, B  =  76.520
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5048
Free R factor                        =     0.5426
Overall figure of merit              =     0.3503
-----------------------------------------------------------------------------
 Trying gamma equal   4.76346409E-04
 Gamma decreased to   4.76346235E-04




 fvalues    325204.81       65845.703       16423393.       16423416.    


     CGMAT cycle number =    190


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999989E-03
 Actual weight    51.075214      is applied to the X-ray term


 function value    16675000.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.006     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.121, B  =  -0.672
Partial structure    1: scale =    0.406, B  =  76.450
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5047
Free R factor                        =     0.5426
Overall figure of merit              =     0.3500
-----------------------------------------------------------------------------
 Trying gamma equal   4.76346235E-04
 Gamma decreased to   4.76346089E-04




 fvalues    325196.91       65968.688       16675492.       16675471.    


 fvalues    325196.91       65968.688       16675501.       16675471.    


     CGMAT cycle number =    191


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999989E-03
 Actual weight    51.034111      is applied to the X-ray term


 function value    16661035.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.006     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.122, B  =  -0.636
Partial structure    1: scale =    0.406, B  =  76.379
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5046
Free R factor                        =     0.5426
Overall figure of merit              =     0.3500
-----------------------------------------------------------------------------
 Trying gamma equal   4.76346089E-04
 Gamma decreased to   4.76345944E-04




 fvalues    325181.13       66110.289       16661455.       16661440.    


 fvalues    325181.13       66110.289       16661488.       16661440.    


     CGMAT cycle number =    192


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999942E-03
 Actual weight    51.040600      is applied to the X-ray term


 function value    16662255.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.006     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.122, B  =  -0.603
Partial structure    1: scale =    0.405, B  =  75.943
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5046
Free R factor                        =     0.5426
Overall figure of merit              =     0.3500
-----------------------------------------------------------------------------
 Trying gamma equal   4.76345944E-04
 Gamma decreased to   4.76345827E-04




 fvalues    325162.09       66198.430       16662663.       16662666.    


     CGMAT cycle number =    193


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999989E-03
 Actual weight    50.906044      is applied to the X-ray term


 function value    16618422.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.006     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.122, B  =  -0.573
Partial structure    1: scale =    0.406, B  =  75.927
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5045
Free R factor                        =     0.5426
Overall figure of merit              =     0.3501
-----------------------------------------------------------------------------
 Trying gamma equal   4.76345827E-04
 Gamma decreased to   4.76345711E-04




 fvalues    325153.00       66464.656       16618683.       16618718.    


     CGMAT cycle number =    194


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999989E-03
 Actual weight    50.971615      is applied to the X-ray term


 function value    16640142.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.006     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.122, B  =  -0.593
Partial structure    1: scale =    0.405, B  =  75.935
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5045
Free R factor                        =     0.5426
Overall figure of merit              =     0.3501
-----------------------------------------------------------------------------
 Trying gamma equal   4.76345711E-04
 Gamma decreased to   4.76345595E-04




 fvalues    325161.81       66431.922       16640433.       16640455.    


     CGMAT cycle number =    195


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999942E-03
 Actual weight    50.881863      is applied to the X-ray term


 function value    16611000.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.006     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.122, B  =  -0.592
Partial structure    1: scale =    0.406, B  =  75.924
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5044
Free R factor                        =     0.5427
Overall figure of merit              =     0.3502
-----------------------------------------------------------------------------
 Trying gamma equal   4.76345595E-04
 Gamma decreased to   4.76345507E-04




 fvalues    325158.81       66599.336       16611320.       16611285.    


 fvalues    325158.81       66599.336       16611309.       16611285.    


     CGMAT cycle number =    196


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999989E-03
 Actual weight    50.897808      is applied to the X-ray term


 function value    16616324.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.006     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.122, B  =  -0.596
Partial structure    1: scale =    0.406, B  =  75.916
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5044
Free R factor                        =     0.5426
Overall figure of merit              =     0.3502
-----------------------------------------------------------------------------
 Trying gamma equal   4.76345507E-04
 Gamma decreased to   4.76345420E-04




 fvalues    325163.44       66583.711       16616688.       16616690.    


     CGMAT cycle number =    197


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999989E-03
 Actual weight    50.945759      is applied to the X-ray term


 function value    16632634.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.006     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.121, B  =  -0.603
Partial structure    1: scale =    0.405, B  =  75.920
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5044
Free R factor                        =     0.5425
Overall figure of merit              =     0.3501
-----------------------------------------------------------------------------
 Trying gamma equal   4.76345420E-04
 Gamma decreased to   4.76345333E-04




 fvalues    325178.09       66580.500       16633027.       16633026.    


 fvalues    325178.09       66580.500       16632965.       16633026.    


     CGMAT cycle number =    198


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999989E-03
 Actual weight    50.787842      is applied to the X-ray term


 function value    16583652.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.006     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.121, B  =  -0.644
Partial structure    1: scale =    0.406, B  =  77.250
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5044
Free R factor                        =     0.5426
Overall figure of merit              =     0.3503
-----------------------------------------------------------------------------
 Trying gamma equal   4.76345333E-04
 Gamma decreased to   4.76345274E-04




 fvalues    325222.97       66638.133       16584033.       16584011.    


 fvalues    325222.97       66638.133       16584003.       16584011.    


     CGMAT cycle number =    199


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   5.00000035E-03
 Actual weight    50.786713      is applied to the X-ray term


 function value    16583981.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.006     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.120, B  =  -0.642
Partial structure    1: scale =    0.406, B  =  77.234
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5044
Free R factor                        =     0.5425
Overall figure of merit              =     0.3503
-----------------------------------------------------------------------------
 Trying gamma equal   4.76345274E-04
 Gamma decreased to   4.76345216E-04




 fvalues    325236.63       66640.648       16584334.       16584340.    


     CGMAT cycle number =    200


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999989E-03
 Actual weight    50.770699      is applied to the X-ray term


 function value    16579398.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.006     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.120, B  =  -0.632
Partial structure    1: scale =    0.406, B  =  77.303
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5044
Free R factor                        =     0.5424
Overall figure of merit              =     0.3503
-----------------------------------------------------------------------------
 Trying gamma equal   4.76345216E-04
 Gamma decreased to   4.76345158E-04




 fvalues    325248.34       66672.734       16579764.       16579759.    


 fvalues    325248.34       66672.734       16579754.       16579759.    


     CGMAT cycle number =    201


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999989E-03
 Actual weight    50.772541      is applied to the X-ray term


 function value    16580057.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.006     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.120, B  =  -0.627
Partial structure    1: scale =    0.406, B  =  77.239
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5044
Free R factor                        =     0.5423
Overall figure of merit              =     0.3503
-----------------------------------------------------------------------------
 Trying gamma equal   4.76345158E-04
 Gamma decreased to   4.76345100E-04




 fvalues    325248.94       66686.266       16580376.       16580401.    


     CGMAT cycle number =    202


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999942E-03
 Actual weight    50.721298      is applied to the X-ray term


 function value    16563935.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.006     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.120, B  =  -0.635
Partial structure    1: scale =    0.406, B  =  77.222
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5044
Free R factor                        =     0.5422
Overall figure of merit              =     0.3503
-----------------------------------------------------------------------------
 Trying gamma equal   4.76345100E-04
 Gamma decreased to   4.76345042E-04




 fvalues    325260.25       66727.297       16564418.       16564349.    


 fvalues    325260.25       66727.297       16564408.       16564349.    


     CGMAT cycle number =    203


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999942E-03
 Actual weight    50.767548      is applied to the X-ray term


 function value    16579042.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.006     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.120, B  =  -0.627
Partial structure    1: scale =    0.406, B  =  77.227
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5044
Free R factor                        =     0.5421
Overall figure of merit              =     0.3503
-----------------------------------------------------------------------------
 Trying gamma equal   4.76345042E-04
 Gamma decreased to   4.76345012E-04




 fvalues    325261.94       66734.828       16579512.       16579486.    


 fvalues    325261.94       66734.828       16579489.       16579486.    


     CGMAT cycle number =    204


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999989E-03
 Actual weight    50.732342      is applied to the X-ray term


 function value    16567686.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.006     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.120, B  =  -0.632
Partial structure    1: scale =    0.406, B  =  77.210
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5044
Free R factor                        =     0.5421
Overall figure of merit              =     0.3503
-----------------------------------------------------------------------------
 Trying gamma equal   4.76345012E-04
 Gamma decreased to   4.76344983E-04




 fvalues    325263.41       66745.422       16568097.       16568119.    


     CGMAT cycle number =    205


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999989E-03
 Actual weight    50.783104      is applied to the X-ray term


 function value    16584181.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.006     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.120, B  =  -0.620
Partial structure    1: scale =    0.406, B  =  77.228
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5044
Free R factor                        =     0.5421
Overall figure of merit              =     0.3503
-----------------------------------------------------------------------------
 Trying gamma equal   4.76344983E-04
 Gamma decreased to   4.76344954E-04




 fvalues    325261.00       66788.703       16584636.       16584552.    


 fvalues    325261.00       66788.703       16584602.       16584552.    


     CGMAT cycle number =    206


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999989E-03
 Actual weight    50.774590      is applied to the X-ray term


 function value    16581409.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.006     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.120, B  =  -0.619
Partial structure    1: scale =    0.406, B  =  77.224
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5044
Free R factor                        =     0.5421
Overall figure of merit              =     0.3503
-----------------------------------------------------------------------------
 Trying gamma equal   4.76344954E-04
 Gamma decreased to   4.76344925E-04




 fvalues    325261.25       66804.234       16581879.       16581810.    


 fvalues    325261.25       66804.234       16581850.       16581810.    


     CGMAT cycle number =    207


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999989E-03
 Actual weight    50.781242      is applied to the X-ray term


 function value    16583495.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.006     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.120, B  =  -0.617
Partial structure    1: scale =    0.406, B  =  77.237
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5044
Free R factor                        =     0.5421
Overall figure of merit              =     0.3503
-----------------------------------------------------------------------------
 Trying gamma equal   4.76344925E-04
 Gamma decreased to   4.76344896E-04




 fvalues    325260.16       66812.797       16583974.       16583928.    


 fvalues    325260.16       66812.797       16583940.       16583928.    


     CGMAT cycle number =    208


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   5.00000035E-03
 Actual weight    50.256840      is applied to the X-ray term


 function value    16414470.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.006     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.119, B  =  -0.646
Partial structure    1: scale =    0.405, B  =  77.174
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5044
Free R factor                        =     0.5420
Overall figure of merit              =     0.3510
-----------------------------------------------------------------------------
 Trying gamma equal   4.76344896E-04
 Gamma decreased to   4.76344867E-04




 fvalues    325289.66       66813.797       16414908.       16414844.    


 fvalues    325289.66       66813.797       16414904.       16414844.    


     CGMAT cycle number =    209


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999989E-03
 Actual weight    50.432007      is applied to the X-ray term


 function value    16472477.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.006     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.119, B  =  -0.673
Partial structure    1: scale =    0.405, B  =  77.345
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5044
Free R factor                        =     0.5420
Overall figure of merit              =     0.3507
-----------------------------------------------------------------------------
 Trying gamma equal   4.76344867E-04
 Gamma decreased to   4.76344838E-04




 fvalues    325312.13       66782.617       16472950.       16472926.    


 fvalues    325312.13       66782.617       16472893.       16472926.    


     CGMAT cycle number =    210


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999942E-03
 Actual weight    50.381321      is applied to the X-ray term


 function value    16456258.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.006     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.119, B  =  -0.648
Partial structure    1: scale =    0.405, B  =  77.281
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5044
Free R factor                        =     0.5420
Overall figure of merit              =     0.3507
-----------------------------------------------------------------------------
 Trying gamma equal   4.76344838E-04
 Gamma decreased to   4.76344809E-04




 fvalues    325316.72       66820.695       16456782.       16456707.    


 fvalues    325316.72       66820.695       16456750.       16456707.    


     CGMAT cycle number =    211


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   5.00000035E-03
 Actual weight    50.408134      is applied to the X-ray term


 function value    16464035.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.006     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.119, B  =  -0.626
Partial structure    1: scale =    0.406, B  =  77.645
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5044
Free R factor                        =     0.5421
Overall figure of merit              =     0.3507
-----------------------------------------------------------------------------
 Trying gamma equal   4.76344809E-04
 Gamma decreased to   4.76344780E-04




 fvalues    325297.69       66816.734       16464496.       16464467.    


 fvalues    325297.69       66816.734       16464462.       16464467.    


     CGMAT cycle number =    212


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999989E-03
 Actual weight    50.364647      is applied to the X-ray term


 function value    16449830.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.006     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.119, B  =  -0.622
Partial structure    1: scale =    0.406, B  =  77.628
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5044
Free R factor                        =     0.5421
Overall figure of merit              =     0.3508
-----------------------------------------------------------------------------
 Trying gamma equal   4.76344780E-04
 Gamma decreased to   4.76344750E-04




 fvalues    325295.69       66836.688       16450318.       16450239.    


 fvalues    325295.69       66836.688       16450285.       16450239.    


     CGMAT cycle number =    213


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999989E-03
 Actual weight    50.357170      is applied to the X-ray term


 function value    16447330.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.006     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.119, B  =  -0.621
Partial structure    1: scale =    0.406, B  =  77.608
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5044
Free R factor                        =     0.5421
Overall figure of merit              =     0.3508
-----------------------------------------------------------------------------
 Trying gamma equal   4.76344750E-04
 Gamma decreased to   4.76344721E-04




 fvalues    325294.69       66839.609       16447850.       16447760.    


 fvalues    325294.69       66839.609       16447798.       16447760.    


     CGMAT cycle number =    214


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999989E-03
 Actual weight    50.350037      is applied to the X-ray term


 function value    16445339.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.006     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.119, B  =  -0.623
Partial structure    1: scale =    0.406, B  =  77.589
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5044
Free R factor                        =     0.5420
Overall figure of merit              =     0.3508
-----------------------------------------------------------------------------
 Trying gamma equal   4.76344721E-04
 Gamma decreased to   4.76344692E-04




 fvalues    325300.56       66844.633       16445818.       16445740.    


 fvalues    325300.56       66844.633       16445789.       16445740.    


     CGMAT cycle number =    215


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999989E-03
 Actual weight    50.388721      is applied to the X-ray term


 function value    16457897.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.006     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.119, B  =  -0.615
Partial structure    1: scale =    0.406, B  =  77.584
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5044
Free R factor                        =     0.5420
Overall figure of merit              =     0.3508
-----------------------------------------------------------------------------
 Trying gamma equal   4.76344692E-04
 Gamma decreased to   4.76344692E-04




 fvalues    325300.00       66860.031       16458360.       16458311.    


 fvalues    325300.00       66860.031       16458341.       16458311.    


     CGMAT cycle number =    216


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   5.00000035E-03
 Actual weight    50.343941      is applied to the X-ray term


 function value    16443282.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.006     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.119, B  =  -0.620
Partial structure    1: scale =    0.406, B  =  77.563
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5044
Free R factor                        =     0.5420
Overall figure of merit              =     0.3508
-----------------------------------------------------------------------------
 Trying gamma equal   4.76344692E-04
 Gamma decreased to   4.76344692E-04




 fvalues    325299.34       66863.914       16443746.       16443715.    


 fvalues    325299.34       66863.914       16443749.       16443715.    


     CGMAT cycle number =    217


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999989E-03
 Actual weight    50.346573      is applied to the X-ray term


 function value    16444114.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.006     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.119, B  =  -0.618
Partial structure    1: scale =    0.406, B  =  77.542
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5044
Free R factor                        =     0.5420
Overall figure of merit              =     0.3508
-----------------------------------------------------------------------------
 Trying gamma equal   4.76344692E-04
 Gamma decreased to   4.76344692E-04




 fvalues    325298.88       66871.492       16444600.       16444555.    


 fvalues    325298.88       66871.492       16444589.       16444555.    


     CGMAT cycle number =    218


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999989E-03
 Actual weight    50.390232      is applied to the X-ray term


 function value    16458204.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.006     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.119, B  =  -0.609
Partial structure    1: scale =    0.406, B  =  77.540
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5044
Free R factor                        =     0.5419
Overall figure of merit              =     0.3508
-----------------------------------------------------------------------------
 Trying gamma equal   4.76344692E-04
 Gamma decreased to   4.76344692E-04




 fvalues    325296.34       66891.250       16458714.       16458649.    


 fvalues    325296.34       66891.250       16458663.       16458649.    


     CGMAT cycle number =    219


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   5.00000035E-03
 Actual weight    50.335869      is applied to the X-ray term


 function value    16440911.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.006     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.119, B  =  -0.620
Partial structure    1: scale =    0.406, B  =  77.522
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5044
Free R factor                        =     0.5419
Overall figure of merit              =     0.3508
-----------------------------------------------------------------------------
 Trying gamma equal   4.76344692E-04
 Gamma decreased to   4.76344692E-04




 fvalues    325304.44       66904.938       16441426.       16441386.    


 fvalues    325304.44       66904.938       16441393.       16441386.    


     CGMAT cycle number =    220


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999989E-03
 Actual weight    50.295883      is applied to the X-ray term


 function value    16429552.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.006     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.118, B  =  -0.641
Partial structure    1: scale =    0.405, B  =  77.502
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5044
Free R factor                        =     0.5418
Overall figure of merit              =     0.3509
-----------------------------------------------------------------------------
 Trying gamma equal   4.76344692E-04
 Gamma decreased to   4.76344692E-04




 fvalues    325337.84       66915.469       16430063.       16430069.    


     CGMAT cycle number =    221


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999989E-03
 Actual weight    50.023773      is applied to the X-ray term


 function value    16347838.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.006     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.116, B  =  -0.734
Partial structure    1: scale =    0.404, B  =  78.253
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5044
Free R factor                        =     0.5418
Overall figure of merit              =     0.3511
-----------------------------------------------------------------------------
 Trying gamma equal   4.76344692E-04
 Gamma decreased to   4.76344692E-04




 fvalues    325471.94       66948.711       16348290.       16348283.    


 fvalues    325471.94       66948.711       16348261.       16348283.    


     CGMAT cycle number =    222


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999989E-03
 Actual weight    50.027000      is applied to the X-ray term


 function value    16349823.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.006     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.116, B  =  -0.715
Partial structure    1: scale =    0.404, B  =  78.290
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5044
Free R factor                        =     0.5417
Overall figure of merit              =     0.3511
-----------------------------------------------------------------------------
 Trying gamma equal   4.76344692E-04
 Gamma decreased to   4.76344692E-04




 fvalues    325490.25       66924.906       16350225.       16350226.    


     CGMAT cycle number =    223


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   5.00000035E-03
 Actual weight    49.978130      is applied to the X-ray term


 function value    16335587.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.006     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.115, B  =  -0.693
Partial structure    1: scale =    0.404, B  =  78.630
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5045
Free R factor                        =     0.5416
Overall figure of merit              =     0.3512
-----------------------------------------------------------------------------
 Trying gamma equal   4.76344692E-04
 Gamma decreased to   4.76344692E-04




 fvalues    325524.81       66943.070       16336074.       16336065.    


 fvalues    325524.81       66943.070       16336075.       16336065.    


     CGMAT cycle number =    224


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   5.00000035E-03
 Actual weight    50.010902      is applied to the X-ray term


 function value    16345612.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.006     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.115, B  =  -0.675
Partial structure    1: scale =    0.404, B  =  78.428
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5044
Free R factor                        =     0.5416
Overall figure of merit              =     0.3511
-----------------------------------------------------------------------------
 Trying gamma equal   4.76344692E-04
 Gamma decreased to   4.76344692E-04




 fvalues    325511.25       66942.914       16346068.       16346054.    


 fvalues    325511.25       66942.914       16346090.       16346054.    


     CGMAT cycle number =    225


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999989E-03
 Actual weight    49.962791      is applied to the X-ray term


 function value    16330160.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.006     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.115, B  =  -0.681
Partial structure    1: scale =    0.404, B  =  78.403
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5045
Free R factor                        =     0.5416
Overall figure of merit              =     0.3512
-----------------------------------------------------------------------------
 Trying gamma equal   4.76344692E-04
 Gamma decreased to   4.76344692E-04




 fvalues    325515.56       66964.438       16330649.       16330630.    


 fvalues    325515.56       66964.438       16330644.       16330630.    


     CGMAT cycle number =    226


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   5.00000035E-03
 Actual weight    50.056099      is applied to the X-ray term


 function value    16359679.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.006     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.115, B  =  -0.654
Partial structure    1: scale =    0.404, B  =  78.035
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5045
Free R factor                        =     0.5415
Overall figure of merit              =     0.3511
-----------------------------------------------------------------------------
 Trying gamma equal   4.76344692E-04
 Gamma decreased to   4.76344692E-04




 fvalues    325498.34       66956.523       16360128.       16360134.    


     CGMAT cycle number =    227


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   5.00000035E-03
 Actual weight    49.996464      is applied to the X-ray term


 function value    16340357.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.006     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.115, B  =  -0.656
Partial structure    1: scale =    0.404, B  =  78.021
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5045
Free R factor                        =     0.5415
Overall figure of merit              =     0.3512
-----------------------------------------------------------------------------
 Trying gamma equal   4.76344692E-04
 Gamma decreased to   4.76344692E-04




 fvalues    325499.34       66996.000       16340831.       16340812.    


 fvalues    325499.34       66996.000       16340839.       16340812.    


     CGMAT cycle number =    228


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999942E-03
 Actual weight    50.031120      is applied to the X-ray term


 function value    16351919.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.006     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.115, B  =  -0.653
Partial structure    1: scale =    0.404, B  =  78.089
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5045
Free R factor                        =     0.5415
Overall figure of merit              =     0.3511
-----------------------------------------------------------------------------
 Trying gamma equal   4.76344692E-04
 Gamma decreased to   4.76344692E-04




 fvalues    325504.91       66987.750       16352387.       16352363.    


 fvalues    325504.91       66987.750       16352386.       16352363.    


     CGMAT cycle number =    229


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999989E-03
 Actual weight    50.046135      is applied to the X-ray term


 function value    16356569.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.006     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.115, B  =  -0.646
Partial structure    1: scale =    0.404, B  =  78.050
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5045
Free R factor                        =     0.5415
Overall figure of merit              =     0.3511
-----------------------------------------------------------------------------
 Trying gamma equal   4.76344692E-04
 Trying gamma equal   4.76344721E-04
 Trying gamma equal   4.76344750E-04
 Trying gamma equal   4.76344780E-04
 Trying gamma equal   4.76344809E-04
 Trying gamma equal   4.76344838E-04
 Trying gamma equal   4.76344867E-04
 Trying gamma equal   4.76344896E-04
 Trying gamma equal   4.76344925E-04
 Trying gamma equal   4.76344954E-04
 Trying gamma equal   4.76344983E-04
 Trying gamma equal   4.76345012E-04
 Trying gamma equal   4.76345042E-04
 Trying gamma equal   4.76345071E-04
 Trying gamma equal   4.76345100E-04
 Trying gamma equal   4.76345129E-04
 Trying gamma equal   4.76345158E-04
 Trying gamma equal   4.76345187E-04
 Trying gamma equal   4.76345216E-04
 Trying gamma equal   4.76345245E-04
 Trying gamma equal   4.76345274E-04
 Trying gamma equal   4.76345303E-04
 Trying gamma equal   4.76345333E-04
 Trying gamma equal   4.76345362E-04
 Trying gamma equal   4.76345391E-04
 Trying gamma equal   4.76345420E-04
 Trying gamma equal   4.76345449E-04
 Trying gamma equal   4.76345478E-04
 Trying gamma equal   4.76345507E-04
 Trying gamma equal   4.76345536E-04
 Trying gamma equal   4.76345565E-04
 Trying gamma equal   4.76345595E-04
 Trying gamma equal   4.76345624E-04
 Trying gamma equal   4.76345653E-04
 Trying gamma equal   4.76345682E-04
 Trying gamma equal   4.76345711E-04
 Trying gamma equal   4.76345740E-04
 Trying gamma equal   4.76345769E-04
 Trying gamma equal   4.76345798E-04
 Trying gamma equal   4.76345827E-04
 Trying gamma equal   4.76345856E-04
 Trying gamma equal   4.76345886E-04
 Trying gamma equal   4.76345915E-04
 Trying gamma equal   4.76345944E-04
 Trying gamma equal   4.76345973E-04
 Trying gamma equal   4.76346002E-04
 Trying gamma equal   4.76346031E-04
 Trying gamma equal   4.76346060E-04
 Trying gamma equal   4.76346089E-04
 Trying gamma equal   4.76346118E-04
 Trying gamma equal   4.76346147E-04
 Trying gamma equal   4.76346177E-04
 Trying gamma equal   4.76346206E-04
 Trying gamma equal   4.76346235E-04
 Trying gamma equal   4.76346264E-04
 Trying gamma equal   4.76346293E-04
 Trying gamma equal   4.76346322E-04
 Trying gamma equal   4.76346351E-04
 Trying gamma equal   4.76346380E-04
 Trying gamma equal   4.76346409E-04
 Trying gamma equal   4.76346439E-04
 Trying gamma equal   4.76346468E-04
 Trying gamma equal   4.76346497E-04
 Trying gamma equal   4.76346526E-04
 Trying gamma equal   4.76346555E-04
 Trying gamma equal   4.76346584E-04
 Trying gamma equal   4.76346613E-04
 Trying gamma equal   4.76346642E-04
 Trying gamma equal   4.76346671E-04
 Trying gamma equal   4.76346700E-04
 Trying gamma equal   4.76346730E-04
 Trying gamma equal   4.76346759E-04
 Trying gamma equal   4.76346788E-04
 Trying gamma equal   4.76346817E-04
 Trying gamma equal   4.76346846E-04
 Trying gamma equal   4.76346875E-04
 Trying gamma equal   4.76346904E-04
 Trying gamma equal   4.76346933E-04
 Trying gamma equal   4.76346962E-04
 Trying gamma equal   4.76346991E-04
 Trying gamma equal   4.76347021E-04
 Trying gamma equal   4.76347050E-04
 Trying gamma equal   4.76347079E-04
 Trying gamma equal   4.76347108E-04
 Trying gamma equal   4.76347137E-04
 Trying gamma equal   4.76347166E-04
 Trying gamma equal   4.76347195E-04
 Trying gamma equal   4.76347224E-04
 Trying gamma equal   4.76347253E-04
 Trying gamma equal   4.76347283E-04
 Trying gamma equal   4.76347312E-04
 Trying gamma equal   4.76347341E-04
 Trying gamma equal   4.76347370E-04
 Trying gamma equal   4.76347399E-04
 Trying gamma equal   4.76347428E-04
 Trying gamma equal   4.76347457E-04
 Trying gamma equal   4.76347486E-04
 Trying gamma equal   4.76347515E-04
 Trying gamma equal   4.76347544E-04
 Trying gamma equal   4.76347574E-04
 Trying gamma equal   4.76347603E-04
 Trying gamma equal   4.76347632E-04
 Trying gamma equal   4.76347661E-04
 Trying gamma equal   4.76347690E-04
 Trying gamma equal   4.76347719E-04
 Trying gamma equal   4.76347748E-04
 Trying gamma equal   4.76347777E-04
 Trying gamma equal   4.76347806E-04
 Trying gamma equal   4.76347836E-04
 Trying gamma equal   4.76347865E-04
 Trying gamma equal   4.76347894E-04
 Trying gamma equal   4.76347923E-04
 Trying gamma equal   4.76347952E-04
 Trying gamma equal   4.76347981E-04
 Trying gamma equal   4.76348010E-04
 Trying gamma equal   4.76348039E-04
 Trying gamma equal   4.76348068E-04
 Trying gamma equal   4.76348097E-04
 Trying gamma equal   4.76348127E-04
 Trying gamma equal   4.76348156E-04
 Trying gamma equal   4.76348185E-04
 Trying gamma equal   4.76348214E-04
 Trying gamma equal   4.76348243E-04
 Trying gamma equal   4.76348272E-04
 Trying gamma equal   4.76348301E-04
 Trying gamma equal   4.76348330E-04
 Trying gamma equal   4.76348359E-04
 Trying gamma equal   4.76348388E-04
 Trying gamma equal   4.76348418E-04
 Trying gamma equal   4.76348447E-04
 Trying gamma equal   4.76348476E-04
 Trying gamma equal   4.76348505E-04
 Trying gamma equal   4.76348534E-04
 Trying gamma equal   4.76348563E-04
 Trying gamma equal   4.76348592E-04
 Trying gamma equal   4.76348621E-04
 Trying gamma equal   4.76348650E-04
 Trying gamma equal   4.76348680E-04
 Trying gamma equal   4.76348709E-04
 Trying gamma equal   4.76348738E-04
 Trying gamma equal   4.76348767E-04
 Trying gamma equal   4.76348796E-04
 Trying gamma equal   4.76348825E-04
 Trying gamma equal   4.76348854E-04
 Trying gamma equal   4.76348883E-04
 Trying gamma equal   4.76348912E-04
 Trying gamma equal   4.76348941E-04
 Trying gamma equal   4.76348971E-04
 Trying gamma equal   4.76349000E-04
 Trying gamma equal   4.76349029E-04
 Trying gamma equal   4.76349058E-04
 Trying gamma equal   4.76349087E-04
 Trying gamma equal   4.76349116E-04
 Trying gamma equal   4.76349145E-04
 Trying gamma equal   4.76349174E-04
 Trying gamma equal   4.76349203E-04
 Trying gamma equal   4.76349232E-04
 Trying gamma equal   4.76349262E-04
 Trying gamma equal   4.76349291E-04
 Trying gamma equal   4.76349320E-04
 Trying gamma equal   4.76349349E-04
 Trying gamma equal   4.76349378E-04
 Trying gamma equal   4.76349407E-04
 Trying gamma equal   4.76349436E-04
 Trying gamma equal   4.76349465E-04
 Trying gamma equal   4.76349494E-04
 Trying gamma equal   4.76349524E-04
 Trying gamma equal   4.76349553E-04
 Trying gamma equal   4.76349582E-04
 Trying gamma equal   4.76349611E-04
 Trying gamma equal   4.76349640E-04
 Trying gamma equal   4.76349669E-04
 Trying gamma equal   4.76349698E-04
 Trying gamma equal   4.76349727E-04
 Trying gamma equal   4.76349756E-04
 Trying gamma equal   4.76349785E-04
 Trying gamma equal   4.76349815E-04
 Trying gamma equal   4.76349844E-04
 Trying gamma equal   4.76349873E-04
 Trying gamma equal   4.76349902E-04
 Trying gamma equal   4.76349931E-04
 Trying gamma equal   4.76349960E-04
 Trying gamma equal   4.76349989E-04
 Trying gamma equal   4.76350018E-04
 Trying gamma equal   4.76350047E-04
 Trying gamma equal   4.76350076E-04
 Trying gamma equal   4.76350106E-04
 Trying gamma equal   4.76350135E-04
 Trying gamma equal   4.76350164E-04
 Trying gamma equal   4.76350193E-04
 Trying gamma equal   4.76350222E-04
 Trying gamma equal   4.76350251E-04
 Trying gamma equal   4.76350280E-04
 Trying gamma equal   4.76350309E-04
 Trying gamma equal   4.76350338E-04
 Trying gamma equal   4.76350368E-04
 Trying gamma equal   4.76350397E-04
 Trying gamma equal   4.76350426E-04
 Trying gamma equal   4.76350455E-04
 Trying gamma equal   4.76350484E-04
 Trying gamma equal   4.76350513E-04
 Trying gamma equal   4.76350542E-04
 Trying gamma equal   4.76350571E-04
 Trying gamma equal   4.76350600E-04
 Trying gamma equal   4.76350629E-04
 Trying gamma equal   4.76350659E-04
 Trying gamma equal   4.76350688E-04
 Trying gamma equal   4.76350717E-04
 Trying gamma equal   4.76350746E-04
 Trying gamma equal   4.76350775E-04
 Trying gamma equal   4.76350804E-04
 Trying gamma equal   4.76350833E-04
 Trying gamma equal   4.76350862E-04
 Trying gamma equal   4.76350891E-04
 Trying gamma equal   4.76350921E-04
 Trying gamma equal   4.76350950E-04
 Trying gamma equal   4.76350979E-04
 Trying gamma equal   4.76351008E-04
 Trying gamma equal   4.76351037E-04
 Trying gamma equal   4.76351066E-04
 Trying gamma equal   4.76351095E-04
 Trying gamma equal   4.76351124E-04
 Trying gamma equal   4.76351153E-04
 Trying gamma equal   4.76351182E-04
 Trying gamma equal   4.76351212E-04
 Trying gamma equal   4.76351241E-04
 Trying gamma equal   4.76351270E-04
 Trying gamma equal   4.76351299E-04
 Trying gamma equal   4.76351328E-04
 Trying gamma equal   4.76351357E-04
 Trying gamma equal   4.76351386E-04
 Trying gamma equal   4.76351415E-04
 Trying gamma equal   4.76351444E-04
 Trying gamma equal   4.76351473E-04
 Trying gamma equal   4.76351503E-04
 Trying gamma equal   4.76351532E-04
 Trying gamma equal   4.76351561E-04
 Trying gamma equal   4.76351590E-04
 Trying gamma equal   4.76351619E-04
 Trying gamma equal   4.76351648E-04
 Trying gamma equal   4.76351677E-04
 Trying gamma equal   4.76351706E-04
 Trying gamma equal   4.76351735E-04
 Trying gamma equal   4.76351765E-04
 Trying gamma equal   4.76351794E-04
 Trying gamma equal   4.76351823E-04
 Trying gamma equal   4.76351852E-04
 Trying gamma equal   4.76351881E-04
 Trying gamma equal   4.76351910E-04
 Trying gamma equal   4.76351939E-04
 Trying gamma equal   4.76351968E-04
 Trying gamma equal   4.76351997E-04
 Trying gamma equal   4.76352026E-04
 Trying gamma equal   4.76352056E-04
 Trying gamma equal   4.76352085E-04
 Trying gamma equal   4.76352114E-04
 Trying gamma equal   4.76352143E-04
 Trying gamma equal   4.76352172E-04
 Trying gamma equal   4.76352201E-04
 Trying gamma equal   4.76352230E-04
 Trying gamma equal   4.76352259E-04
 Trying gamma equal   4.76352288E-04
 Trying gamma equal   4.76352317E-04
 Trying gamma equal   4.76352347E-04
 Trying gamma equal   4.76352376E-04
 Trying gamma equal   4.76352405E-04
 Trying gamma equal   4.76352434E-04
 Trying gamma equal   4.76352463E-04
 Trying gamma equal   4.76352492E-04
 Trying gamma equal   4.76352521E-04
 Trying gamma equal   4.76352550E-04
 Trying gamma equal   4.76352579E-04
 Trying gamma equal   4.76352609E-04
 Trying gamma equal   4.76352638E-04
 Trying gamma equal   4.76352667E-04
 Trying gamma equal   4.76352696E-04
 Trying gamma equal   4.76352725E-04
 Trying gamma equal   4.76352754E-04
 Trying gamma equal   4.76352783E-04
 Trying gamma equal   4.76352812E-04
 Trying gamma equal   4.76352841E-04
 Trying gamma equal   4.76352870E-04
 Trying gamma equal   4.76352900E-04
 Trying gamma equal   4.76352929E-04
 Trying gamma equal   4.76352958E-04
 Trying gamma equal   4.76352987E-04
 Trying gamma equal   4.76353016E-04
 Trying gamma equal   4.76353045E-04
 Trying gamma equal   4.76353074E-04
 Trying gamma equal   4.76353103E-04
 Trying gamma equal   4.76353132E-04
 Trying gamma equal   4.76353162E-04
 Trying gamma equal   4.76353191E-04
 Trying gamma equal   4.76353220E-04
 Trying gamma equal   4.76353249E-04
 Trying gamma equal   4.76353278E-04
 Trying gamma equal   4.76353307E-04
 Trying gamma equal   4.76353336E-04
 Trying gamma equal   4.76353365E-04
 Trying gamma equal   4.76353394E-04
 Trying gamma equal   4.76353423E-04
 Trying gamma equal   4.76353453E-04
 Trying gamma equal   4.76353482E-04
 Trying gamma equal   4.76353511E-04
 Trying gamma equal   4.76353540E-04
 Trying gamma equal   4.76353569E-04
 Trying gamma equal   4.76353598E-04
 Trying gamma equal   4.76353627E-04
 Trying gamma equal   4.76353656E-04
 Trying gamma equal   4.76353685E-04
 Trying gamma equal   4.76353714E-04
 Trying gamma equal   4.76353744E-04
 Trying gamma equal   4.76353773E-04
 Trying gamma equal   4.76353802E-04
 Trying gamma equal   4.76353831E-04
 Trying gamma equal   4.76353860E-04
 Trying gamma equal   4.76353889E-04
 Trying gamma equal   4.76353918E-04
 Trying gamma equal   4.76353947E-04
 Trying gamma equal   4.76353976E-04
 Trying gamma equal   4.76354006E-04
 Trying gamma equal   4.76354035E-04
 Trying gamma equal   4.76354064E-04
 Trying gamma equal   4.76354093E-04
 Trying gamma equal   4.76354122E-04
 Trying gamma equal   4.76354151E-04
 Trying gamma equal   4.76354180E-04
 Trying gamma equal   4.76354209E-04
 Trying gamma equal   4.76354238E-04
 Trying gamma equal   4.76354267E-04
 Trying gamma equal   4.76354297E-04
 Trying gamma equal   4.76354326E-04
 Trying gamma equal   4.76354355E-04
 Trying gamma equal   4.76354384E-04
 Trying gamma equal   4.76354413E-04
 Trying gamma equal   4.76354442E-04
 Trying gamma equal   4.76354471E-04
 Trying gamma equal   4.76354500E-04
 Trying gamma equal   4.76354529E-04
 Trying gamma equal   4.76354558E-04
 Trying gamma equal   4.76354588E-04
 Trying gamma equal   4.76354617E-04
 Trying gamma equal   4.76354646E-04
 Trying gamma equal   4.76354675E-04
 Trying gamma equal   4.76354704E-04
 Trying gamma equal   4.76354733E-04
 Trying gamma equal   4.76354762E-04
 Trying gamma equal   4.76354791E-04
 Trying gamma equal   4.76354820E-04
 Trying gamma equal   4.76354850E-04
 Trying gamma equal   4.76354879E-04
 Trying gamma equal   4.76354908E-04
 Trying gamma equal   4.76354937E-04
 Trying gamma equal   4.76354966E-04
 Trying gamma equal   4.76354995E-04
 Trying gamma equal   4.76355024E-04
 Trying gamma equal   4.76355053E-04
 Trying gamma equal   4.76355082E-04
 Trying gamma equal   4.76355111E-04
 Trying gamma equal   4.76355141E-04
 Trying gamma equal   4.76355170E-04
 Trying gamma equal   4.76355199E-04
 Trying gamma equal   4.76355228E-04
 Trying gamma equal   4.76355257E-04
 Trying gamma equal   4.76355286E-04
 Trying gamma equal   4.76355315E-04
 Trying gamma equal   4.76355344E-04
 Trying gamma equal   4.76355373E-04
 Trying gamma equal   4.76355402E-04
 Trying gamma equal   4.76355432E-04
 Trying gamma equal   4.76355461E-04
 Trying gamma equal   4.76355490E-04
 Trying gamma equal   4.76355519E-04
 Trying gamma equal   4.76355548E-04
 Trying gamma equal   4.76355577E-04
 Trying gamma equal   4.76355606E-04
 Trying gamma equal   4.76355635E-04
 Trying gamma equal   4.76355664E-04
 Trying gamma equal   4.76355694E-04
 Trying gamma equal   4.76355723E-04
 Trying gamma equal   4.76355752E-04
 Trying gamma equal   4.76355781E-04
 Trying gamma equal   4.76355810E-04
 Trying gamma equal   4.76355839E-04
 Trying gamma equal   4.76355868E-04
 Trying gamma equal   4.76355897E-04
 Trying gamma equal   4.76355926E-04
 Trying gamma equal   4.76355955E-04
 Trying gamma equal   4.76355985E-04
 Trying gamma equal   4.76356014E-04
 Trying gamma equal   4.76356043E-04
 Trying gamma equal   4.76356072E-04
 Trying gamma equal   4.76356101E-04
 Trying gamma equal   4.76356130E-04
 Trying gamma equal   4.76356159E-04
 Trying gamma equal   4.76356188E-04
 Trying gamma equal   4.76356217E-04
 Trying gamma equal   4.76356247E-04
 Trying gamma equal   4.76356276E-04
 Trying gamma equal   4.76356305E-04
 Trying gamma equal   4.76356334E-04
 Trying gamma equal   4.76356363E-04
 Trying gamma equal   4.76356392E-04
 Trying gamma equal   4.76356421E-04
 Trying gamma equal   4.76356450E-04
 Trying gamma equal   4.76356479E-04
 Trying gamma equal   4.76356508E-04
 Trying gamma equal   4.76356538E-04
 Trying gamma equal   4.76356567E-04
 Trying gamma equal   4.76356596E-04
 Trying gamma equal   4.76356625E-04
 Trying gamma equal   4.76356654E-04
 Trying gamma equal   4.76356683E-04
 Trying gamma equal   4.76356712E-04
 Trying gamma equal   4.76356741E-04
 Trying gamma equal   4.76356770E-04
 Trying gamma equal   4.76356799E-04
 Trying gamma equal   4.76356829E-04
 Trying gamma equal   4.76356858E-04
 Trying gamma equal   4.76356887E-04
 Trying gamma equal   4.76356916E-04
 Trying gamma equal   4.76356945E-04
 Trying gamma equal   4.76356974E-04
 Trying gamma equal   4.76357003E-04
 Trying gamma equal   4.76357032E-04
 Trying gamma equal   4.76357061E-04
 Trying gamma equal   4.76357091E-04
 Trying gamma equal   4.76357120E-04
 Trying gamma equal   4.76357149E-04
 Trying gamma equal   4.76357178E-04
 Trying gamma equal   4.76357207E-04
 Trying gamma equal   4.76357236E-04
 Trying gamma equal   4.76357265E-04
 Trying gamma equal   4.76357294E-04
 Trying gamma equal   4.76357323E-04
 Trying gamma equal   4.76357352E-04
 Trying gamma equal   4.76357382E-04
 Trying gamma equal   4.76357411E-04
 Trying gamma equal   4.76357440E-04
 Trying gamma equal   4.76357469E-04
 Trying gamma equal   4.76357498E-04
 Trying gamma equal   4.76357527E-04
 Trying gamma equal   4.76357556E-04
 Trying gamma equal   4.76357585E-04
 Trying gamma equal   4.76357614E-04
 Trying gamma equal   4.76357643E-04
 Trying gamma equal   4.76357673E-04
 Trying gamma equal   4.76357702E-04
 Trying gamma equal   4.76357731E-04
 Trying gamma equal   4.76357760E-04
 Trying gamma equal   4.76357789E-04
 Trying gamma equal   4.76357818E-04
 Trying gamma equal   4.76357847E-04
 Trying gamma equal   4.76357876E-04
 Trying gamma equal   4.76357905E-04
 Trying gamma equal   4.76357935E-04
 Trying gamma equal   4.76357964E-04
 Trying gamma equal   4.76357993E-04
 Trying gamma equal   4.76358022E-04
 Trying gamma equal   4.76358051E-04
 Trying gamma equal   4.76358080E-04
 Trying gamma equal   4.76358109E-04
 Trying gamma equal   4.76358138E-04
 Trying gamma equal   4.76358167E-04
 Trying gamma equal   4.76358196E-04
 Trying gamma equal   4.76358226E-04
 Trying gamma equal   4.76358255E-04
 Trying gamma equal   4.76358284E-04
 Trying gamma equal   4.76358313E-04
 Trying gamma equal   4.76358342E-04
 Trying gamma equal   4.76358371E-04
 Trying gamma equal   4.76358400E-04
 Trying gamma equal   4.76358429E-04
 Trying gamma equal   4.76358458E-04
 Trying gamma equal   4.76358488E-04
 Trying gamma equal   4.76358517E-04
 Trying gamma equal   4.76358546E-04
 Trying gamma equal   4.76358575E-04
 Trying gamma equal   4.76358604E-04
 Trying gamma equal   4.76358633E-04
 Trying gamma equal   4.76358662E-04
 Trying gamma equal   4.76358691E-04
 Trying gamma equal   4.76358720E-04
 Trying gamma equal   4.76358749E-04
 Trying gamma equal   4.76358779E-04
 Trying gamma equal   4.76358808E-04
 Trying gamma equal   4.76358837E-04
 Trying gamma equal   4.76358866E-04
 Trying gamma equal   4.76358895E-04
 Trying gamma equal   4.76358924E-04
 Trying gamma equal   4.76358953E-04
 Trying gamma equal   4.76358982E-04
 Trying gamma equal   4.76359011E-04
 Trying gamma equal   4.76359040E-04
 Trying gamma equal   4.76359070E-04
 Trying gamma equal   4.76359099E-04
 Trying gamma equal   4.76359128E-04
 Trying gamma equal   4.76359157E-04
 Trying gamma equal   4.76359186E-04
 Trying gamma equal   4.76359215E-04




 fvalues    325498.97       66996.383       16357123.       16356961.    


 fvalues    325498.97       66996.383       16357009.       16356961.    


     CGMAT cycle number =    230


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999989E-03
 Actual weight    50.030144      is applied to the X-ray term


 function value    16351816.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.006     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.115, B  =  -0.491
Partial structure    1: scale =    0.404, B  =  78.013
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5045
Free R factor                        =     0.5415
Overall figure of merit              =     0.3512
-----------------------------------------------------------------------------
 Trying gamma equal   4.76359215E-04
 Trying gamma equal   4.76359244E-04
 Trying gamma equal   4.76359273E-04
 Trying gamma equal   4.76359302E-04
 Trying gamma equal   4.76359332E-04
 Trying gamma equal   4.76359361E-04
 Trying gamma equal   4.76359390E-04
 Trying gamma equal   4.76359419E-04
 Trying gamma equal   4.76359448E-04
 Trying gamma equal   4.76359477E-04
 Trying gamma equal   4.76359506E-04
 Trying gamma equal   4.76359535E-04
 Trying gamma equal   4.76359564E-04
 Trying gamma equal   4.76359593E-04
 Trying gamma equal   4.76359623E-04
 Trying gamma equal   4.76359652E-04
 Trying gamma equal   4.76359681E-04
 Trying gamma equal   4.76359710E-04
 Trying gamma equal   4.76359739E-04
 Trying gamma equal   4.76359768E-04
 Trying gamma equal   4.76359797E-04
 Trying gamma equal   4.76359826E-04
 Gamma decreased to   4.76359826E-04




 fvalues    325502.81       67136.125       16352095.       16352088.    


 fvalues    325502.81       67136.125       16352075.       16352088.    


     CGMAT cycle number =    231


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999989E-03
 Actual weight    50.004742      is applied to the X-ray term


 function value    16343741.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.006     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.115, B  =  -0.579
Partial structure    1: scale =    0.404, B  =  77.992
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5045
Free R factor                        =     0.5413
Overall figure of merit              =     0.3512
-----------------------------------------------------------------------------
 Trying gamma equal   4.76359826E-04
 Gamma decreased to   4.76359826E-04




 fvalues    325510.41       67029.594       16344134.       16344094.    


 fvalues    325510.41       67029.594       16344133.       16344094.    


     CGMAT cycle number =    232


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999989E-03
 Actual weight    50.045864      is applied to the X-ray term


 function value    16356851.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.006     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.115, B  =  -0.587
Partial structure    1: scale =    0.404, B  =  77.977
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5045
Free R factor                        =     0.5413
Overall figure of merit              =     0.3512
-----------------------------------------------------------------------------
 Trying gamma equal   4.76359826E-04
 Trying gamma equal   4.76359855E-04
 Trying gamma equal   4.76359884E-04
 Trying gamma equal   4.76359914E-04
 Trying gamma equal   4.76359943E-04
 Trying gamma equal   4.76359972E-04
 Trying gamma equal   4.76360001E-04
 Gamma decreased to   4.76360001E-04




 fvalues    325505.78       67033.359       16357311.       16357251.    


 fvalues    325505.78       67033.359       16357290.       16357251.    


     CGMAT cycle number =    233


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999989E-03
 Actual weight    50.034016      is applied to the X-ray term


 function value    16353191.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.006     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.115, B  =  -0.604
Partial structure    1: scale =    0.404, B  =  78.034
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5045
Free R factor                        =     0.5413
Overall figure of merit              =     0.3512
-----------------------------------------------------------------------------
 Trying gamma equal   4.76360001E-04
 Gamma decreased to   4.76360001E-04




 fvalues    325509.50       67041.680       16353601.       16353589.    


 fvalues    325509.50       67041.680       16353614.       16353589.    


     CGMAT cycle number =    234


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999989E-03
 Actual weight    50.044529      is applied to the X-ray term


 function value    16356410.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.006     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.115, B  =  -0.611
Partial structure    1: scale =    0.404, B  =  78.036
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5045
Free R factor                        =     0.5413
Overall figure of merit              =     0.3512
-----------------------------------------------------------------------------
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04




 fvalues    325504.81       67042.211       16356933.       16356777.    


 fvalues    325504.81       67042.211       16356823.       16356777.    


     CGMAT cycle number =    235


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999989E-03
 Actual weight    50.001587      is applied to the X-ray term


 function value    16342837.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.006     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.115, B  =  -0.468
Partial structure    1: scale =    0.404, B  =  78.020
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5045
Free R factor                        =     0.5413
Overall figure of merit              =     0.3512
-----------------------------------------------------------------------------
 Trying gamma equal   4.76360001E-04
 Gamma decreased to   4.76360001E-04




 fvalues    325507.56       67174.117       16343161.       16343069.    


 fvalues    325507.56       67174.117       16343085.       16343069.    


     CGMAT cycle number =    236


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999942E-03
 Actual weight    50.043537      is applied to the X-ray term


 function value    16356496.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.006     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.115, B  =  -0.510
Partial structure    1: scale =    0.404, B  =  78.001
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5045
Free R factor                        =     0.5412
Overall figure of merit              =     0.3512
-----------------------------------------------------------------------------
 Trying gamma equal   4.76360001E-04
 Gamma decreased to   4.76360001E-04




 fvalues    325510.25       67120.945       16356855.       16356805.    


 fvalues    325510.25       67120.945       16356796.       16356805.    


     CGMAT cycle number =    237


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   5.00000035E-03
 Actual weight    50.051796      is applied to the X-ray term


 function value    16359174.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.006     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.115, B  =  -0.578
Partial structure    1: scale =    0.404, B  =  77.978
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5045
Free R factor                        =     0.5412
Overall figure of merit              =     0.3512
-----------------------------------------------------------------------------
 Trying gamma equal   4.76360001E-04
 Gamma decreased to   4.76360001E-04




 fvalues    325510.69       67087.672       16359534.       16359483.    


 fvalues    325510.69       67087.672       16359526.       16359483.    


     CGMAT cycle number =    238


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999942E-03
 Actual weight    50.054958      is applied to the X-ray term


 function value    16360267.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.006     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.115, B  =  -0.595
Partial structure    1: scale =    0.404, B  =  77.940
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5045
Free R factor                        =     0.5411
Overall figure of merit              =     0.3512
-----------------------------------------------------------------------------
 Trying gamma equal   4.76360001E-04
 Gamma decreased to   4.76360001E-04




 fvalues    325512.47       67108.523       16360690.       16360622.    


 fvalues    325512.47       67108.523       16360638.       16360622.    


     CGMAT cycle number =    239


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999989E-03
 Actual weight    50.054005      is applied to the X-ray term


 function value    16360118.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.006     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.115, B  =  -0.609
Partial structure    1: scale =    0.404, B  =  78.048
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5045
Free R factor                        =     0.5411
Overall figure of merit              =     0.3512
-----------------------------------------------------------------------------
 Trying gamma equal   4.76360001E-04
 Gamma decreased to   4.76360001E-04




 fvalues    325515.78       67102.953       16360541.       16360471.    


 fvalues    325515.78       67102.953       16360519.       16360471.    


     CGMAT cycle number =    240


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   5.00000035E-03
 Actual weight    50.062279      is applied to the X-ray term


 function value    16362563.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.006     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.115, B  =  -0.614
Partial structure    1: scale =    0.404, B  =  78.018
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5045
Free R factor                        =     0.5411
Overall figure of merit              =     0.3512
-----------------------------------------------------------------------------
 Trying gamma equal   4.76360001E-04
 Gamma decreased to   4.76360001E-04




 fvalues    325510.78       67128.727       16362959.       16362940.    


 fvalues    325510.78       67128.727       16362976.       16362940.    


     CGMAT cycle number =    241


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999989E-03
 Actual weight    50.062527      is applied to the X-ray term


 function value    16362613.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.006     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.115, B  =  -0.621
Partial structure    1: scale =    0.404, B  =  77.993
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5045
Free R factor                        =     0.5410
Overall figure of merit              =     0.3512
-----------------------------------------------------------------------------
 Trying gamma equal   4.76360001E-04
 Gamma decreased to   4.76360001E-04




 fvalues    325509.41       67142.797       16363000.       16362966.    


 fvalues    325509.41       67142.797       16362997.       16362966.    


     CGMAT cycle number =    242


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999989E-03
 Actual weight    50.076801      is applied to the X-ray term


 function value    16366982.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.006     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.115, B  =  -0.620
Partial structure    1: scale =    0.404, B  =  77.894
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5045
Free R factor                        =     0.5410
Overall figure of merit              =     0.3512
-----------------------------------------------------------------------------
 Trying gamma equal   4.76360001E-04
 Gamma decreased to   4.76360001E-04




 fvalues    325504.38       67154.008       16367389.       16367372.    


 fvalues    325504.38       67154.008       16367355.       16367372.    


     CGMAT cycle number =    243


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999989E-03
 Actual weight    50.078236      is applied to the X-ray term


 function value    16367525.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.006     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.115, B  =  -0.628
Partial structure    1: scale =    0.404, B  =  77.829
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5044
Free R factor                        =     0.5409
Overall figure of merit              =     0.3512
-----------------------------------------------------------------------------
 Trying gamma equal   4.76360001E-04
 Gamma decreased to   4.76360001E-04




 fvalues    325503.78       67203.484       16367885.       16367858.    


 fvalues    325503.78       67203.484       16367883.       16367858.    


     CGMAT cycle number =    244


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999989E-03
 Actual weight    50.029968      is applied to the X-ray term


 function value    16351974.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.006     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.115, B  =  -0.639
Partial structure    1: scale =    0.404, B  =  77.805
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5044
Free R factor                        =     0.5410
Overall figure of merit              =     0.3512
-----------------------------------------------------------------------------
 Trying gamma equal   4.76360001E-04
 Gamma decreased to   4.76360001E-04




 fvalues    325506.00       67223.688       16352322.       16352279.    


 fvalues    325506.00       67223.688       16352320.       16352279.    


     CGMAT cycle number =    245


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999989E-03
 Actual weight    50.076958      is applied to the X-ray term


 function value    16367157.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.006     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.115, B  =  -0.630
Partial structure    1: scale =    0.403, B  =  77.781
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5044
Free R factor                        =     0.5409
Overall figure of merit              =     0.3512
-----------------------------------------------------------------------------
 Trying gamma equal   4.76360001E-04
 Gamma decreased to   4.76360001E-04




 fvalues    325503.91       67251.289       16367522.       16367496.    


 fvalues    325503.91       67251.289       16367513.       16367496.    


     CGMAT cycle number =    246


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999989E-03
 Actual weight    50.048481      is applied to the X-ray term


 function value    16357843.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.006     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.115, B  =  -0.636
Partial structure    1: scale =    0.404, B  =  77.760
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5044
Free R factor                        =     0.5409
Overall figure of merit              =     0.3512
-----------------------------------------------------------------------------
 Trying gamma equal   4.76360001E-04
 Gamma decreased to   4.76360001E-04




 fvalues    325503.16       67275.367       16358258.       16358214.    


 fvalues    325503.16       67275.367       16358225.       16358214.    


     CGMAT cycle number =    247


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999989E-03
 Actual weight    50.097591      is applied to the X-ray term


 function value    16373528.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.006     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.115, B  =  -0.625
Partial structure    1: scale =    0.403, B  =  77.717
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5044
Free R factor                        =     0.5408
Overall figure of merit              =     0.3512
-----------------------------------------------------------------------------
 Trying gamma equal   4.76360001E-04
 Gamma decreased to   4.76360001E-04




 fvalues    325496.50       67299.328       16373954.       16373890.    


 fvalues    325496.50       67299.328       16373924.       16373890.    


     CGMAT cycle number =    248


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999989E-03
 Actual weight    50.125069      is applied to the X-ray term


 function value    16382007.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.006     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.116, B  =  -0.617
Partial structure    1: scale =    0.403, B  =  77.495
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5044
Free R factor                        =     0.5408
Overall figure of merit              =     0.3511
-----------------------------------------------------------------------------
 Trying gamma equal   4.76360001E-04
 Gamma decreased to   4.76360001E-04




 fvalues    325487.97       67322.766       16382522.       16382430.    


 fvalues    325487.97       67322.766       16382467.       16382430.    


     CGMAT cycle number =    249


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999942E-03
 Actual weight    50.149857      is applied to the X-ray term


 function value    16389455.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.006     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.116, B  =  -0.608
Partial structure    1: scale =    0.404, B  =  77.470
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5044
Free R factor                        =     0.5408
Overall figure of merit              =     0.3511
-----------------------------------------------------------------------------
 Trying gamma equal   4.76360001E-04
 Gamma decreased to   4.76360001E-04




 fvalues    325475.50       67346.313       16389952.       16389896.    


 fvalues    325475.50       67346.313       16389929.       16389896.    


     CGMAT cycle number =    250


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999989E-03
 Actual weight    50.187504      is applied to the X-ray term


 function value    16401161.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.006     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.116, B  =  -0.598
Partial structure    1: scale =    0.403, B  =  77.055
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5044
Free R factor                        =     0.5408
Overall figure of merit              =     0.3511
-----------------------------------------------------------------------------
 Trying gamma equal   4.76360001E-04
 Gamma decreased to   4.76360001E-04




 fvalues    325463.44       67363.445       16401623.       16401561.    


 fvalues    325463.44       67363.445       16401617.       16401561.    


     CGMAT cycle number =    251


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999989E-03
 Actual weight    50.156078      is applied to the X-ray term


 function value    16390809.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.006     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.116, B  =  -0.605
Partial structure    1: scale =    0.404, B  =  77.034
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5044
Free R factor                        =     0.5408
Overall figure of merit              =     0.3511
-----------------------------------------------------------------------------
 Trying gamma equal   4.76360001E-04
 Gamma decreased to   4.76360001E-04




 fvalues    325460.53       67391.320       16391237.       16391215.    


 fvalues    325460.53       67391.320       16391253.       16391215.    


     CGMAT cycle number =    252


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999989E-03
 Actual weight    50.164291      is applied to the X-ray term


 function value    16393353.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.006     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.116, B  =  -0.607
Partial structure    1: scale =    0.404, B  =  77.011
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5044
Free R factor                        =     0.5408
Overall figure of merit              =     0.3511
-----------------------------------------------------------------------------
 Trying gamma equal   4.76360001E-04
 Gamma decreased to   4.76360001E-04




 fvalues    325457.94       67404.523       16393811.       16393772.    


 fvalues    325457.94       67404.523       16393775.       16393772.    


     CGMAT cycle number =    253


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999989E-03
 Actual weight    50.208618      is applied to the X-ray term


 function value    16407578.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.006     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.116, B  =  -0.599
Partial structure    1: scale =    0.403, B  =  76.973
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5044
Free R factor                        =     0.5407
Overall figure of merit              =     0.3511
-----------------------------------------------------------------------------
 Trying gamma equal   4.76360001E-04
 Gamma decreased to   4.76360001E-04




 fvalues    325453.22       67425.102       16408046.       16407981.    


 fvalues    325453.22       67425.102       16407997.       16407981.    


     CGMAT cycle number =    254


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999989E-03
 Actual weight    50.174175      is applied to the X-ray term


 function value    16396355.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.006     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.116, B  =  -0.606
Partial structure    1: scale =    0.404, B  =  76.946
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5044
Free R factor                        =     0.5407
Overall figure of merit              =     0.3511
-----------------------------------------------------------------------------
 Trying gamma equal   4.76360001E-04
 Gamma decreased to   4.76360001E-04




 fvalues    325452.94       67452.164       16396859.       16396785.    


 fvalues    325452.94       67452.164       16396799.       16396785.    


     CGMAT cycle number =    255


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999989E-03
 Actual weight    50.187763      is applied to the X-ray term


 function value    16400659.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.006     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.116, B  =  -0.604
Partial structure    1: scale =    0.404, B  =  76.904
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5044
Free R factor                        =     0.5406
Overall figure of merit              =     0.3511
-----------------------------------------------------------------------------
 Trying gamma equal   4.76360001E-04
 Gamma decreased to   4.76360001E-04




 fvalues    325448.94       67475.672       16401104.       16401030.    


 fvalues    325448.94       67475.672       16401074.       16401030.    


     CGMAT cycle number =    256


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999989E-03
 Actual weight    50.173115      is applied to the X-ray term


 function value    16396012.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.006     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.116, B  =  -0.609
Partial structure    1: scale =    0.404, B  =  76.879
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5044
Free R factor                        =     0.5406
Overall figure of merit              =     0.3511
-----------------------------------------------------------------------------
 Trying gamma equal   4.76360001E-04
 Gamma decreased to   4.76360001E-04




 fvalues    325451.50       67504.297       16396493.       16396419.    


 fvalues    325451.50       67504.297       16396449.       16396419.    


     CGMAT cycle number =    257


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   5.00000035E-03
 Actual weight    50.286793      is applied to the X-ray term


 function value    16431674.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.006     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.117, B  =  -0.578
Partial structure    1: scale =    0.403, B  =  76.420
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5044
Free R factor                        =     0.5406
Overall figure of merit              =     0.3510
-----------------------------------------------------------------------------
 Trying gamma equal   4.76360001E-04
 Gamma decreased to   4.76360001E-04




 fvalues    325422.78       67521.555       16432107.       16431990.    


 fvalues    325422.78       67521.555       16432063.       16431990.    


     CGMAT cycle number =    258


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999989E-03
 Actual weight    50.291924      is applied to the X-ray term


 function value    16432882.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.006     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.117, B  =  -0.575
Partial structure    1: scale =    0.403, B  =  76.384
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5044
Free R factor                        =     0.5406
Overall figure of merit              =     0.3510
-----------------------------------------------------------------------------
 Trying gamma equal   4.76360001E-04
 Gamma decreased to   4.76360001E-04




 fvalues    325414.22       67556.539       16433344.       16433264.    


 fvalues    325414.22       67556.539       16433306.       16433264.    


     CGMAT cycle number =    259


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999989E-03
 Actual weight    50.255360      is applied to the X-ray term


 function value    16420874.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.006     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.117, B  =  -0.583
Partial structure    1: scale =    0.404, B  =  76.363
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5044
Free R factor                        =     0.5406
Overall figure of merit              =     0.3511
-----------------------------------------------------------------------------
 Trying gamma equal   4.76360001E-04
 Gamma decreased to   4.76360001E-04




 fvalues    325411.78       67579.242       16421320.       16421265.    


 fvalues    325411.78       67579.242       16421314.       16421265.    


     CGMAT cycle number =    260


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999942E-03
 Actual weight    50.335022      is applied to the X-ray term


 function value    16445956.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.006     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.117, B  =  -0.565
Partial structure    1: scale =    0.404, B  =  76.342
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5043
Free R factor                        =     0.5405
Overall figure of merit              =     0.3510
-----------------------------------------------------------------------------
 Trying gamma equal   4.76360001E-04
 Gamma decreased to   4.76360001E-04




 fvalues    325394.97       67607.914       16446427.       16446371.    


 fvalues    325394.97       67607.914       16446401.       16446371.    


     CGMAT cycle number =    261


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999942E-03
 Actual weight    50.418011      is applied to the X-ray term


 function value    16471591.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.006     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.118, B  =  -0.541
Partial structure    1: scale =    0.403, B  =  75.561
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5043
Free R factor                        =     0.5405
Overall figure of merit              =     0.3509
-----------------------------------------------------------------------------
 Trying gamma equal   4.76360001E-04
 Gamma decreased to   4.76360001E-04




 fvalues    325366.72       67641.250       16472064.       16471984.    


 fvalues    325366.72       67641.250       16471998.       16471984.    


     CGMAT cycle number =    262


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999989E-03
 Actual weight    50.508827      is applied to the X-ray term


 function value    16499276.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.006     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.119, B  =  -0.513
Partial structure    1: scale =    0.403, B  =  74.954
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5043
Free R factor                        =     0.5405
Overall figure of merit              =     0.3508
-----------------------------------------------------------------------------
 Trying gamma equal   4.76360001E-04
 Gamma decreased to   4.76360001E-04




 fvalues    325328.13       67682.672       16499634.       16499625.    


 fvalues    325328.13       67682.672       16499634.       16499625.    


     CGMAT cycle number =    263


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999942E-03
 Actual weight    50.495476      is applied to the X-ray term


 function value    16495047.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.006     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.119, B  =  -0.524
Partial structure    1: scale =    0.403, B  =  74.912
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5043
Free R factor                        =     0.5404
Overall figure of merit              =     0.3509
-----------------------------------------------------------------------------
 Trying gamma equal   4.76360001E-04
 Gamma decreased to   4.76360001E-04




 fvalues    325328.72       67727.570       16495373.       16495356.    


 fvalues    325328.72       67727.570       16495394.       16495356.    


     CGMAT cycle number =    264


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   5.00000035E-03
 Actual weight    50.464146      is applied to the X-ray term


 function value    16485408.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.006     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.118, B  =  -0.540
Partial structure    1: scale =    0.403, B  =  75.134
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5043
Free R factor                        =     0.5404
Overall figure of merit              =     0.3509
-----------------------------------------------------------------------------
 Trying gamma equal   4.76360001E-04
 Gamma decreased to   4.76360001E-04




 fvalues    325339.00       67764.148       16485749.       16485719.    


 fvalues    325339.00       67764.148       16485749.       16485719.    


     CGMAT cycle number =    265


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999942E-03
 Actual weight    50.447205      is applied to the X-ray term


 function value    16479418.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.006     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.119, B  =  -0.543
Partial structure    1: scale =    0.403, B  =  75.100
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5043
Free R factor                        =     0.5404
Overall figure of merit              =     0.3509
-----------------------------------------------------------------------------
 Trying gamma equal   4.76360001E-04
 Gamma decreased to   4.76360001E-04




 fvalues    325329.13       67791.805       16479775.       16479737.    


 fvalues    325329.13       67791.805       16479723.       16479737.    


     CGMAT cycle number =    266


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999989E-03
 Actual weight    50.447113      is applied to the X-ray term


 function value    16479977.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.006     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.118, B  =  -0.557
Partial structure    1: scale =    0.403, B  =  75.237
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5043
Free R factor                        =     0.5402
Overall figure of merit              =     0.3509
-----------------------------------------------------------------------------
 Trying gamma equal   4.76360001E-04
 Gamma decreased to   4.76360001E-04




 fvalues    325340.69       67843.586       16480402.       16480342.    


 fvalues    325340.69       67843.586       16480368.       16480342.    


     CGMAT cycle number =    267


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   5.00000035E-03
 Actual weight    50.418198      is applied to the X-ray term


 function value    16470508.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.006     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.118, B  =  -0.563
Partial structure    1: scale =    0.403, B  =  75.218
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5043
Free R factor                        =     0.5402
Overall figure of merit              =     0.3510
-----------------------------------------------------------------------------
 Trying gamma equal   4.76360001E-04
 Gamma decreased to   4.76360001E-04




 fvalues    325339.16       67870.781       16470957.       16470885.    


 fvalues    325339.16       67870.781       16470936.       16470885.    


     CGMAT cycle number =    268


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999942E-03
 Actual weight    50.451965      is applied to the X-ray term


 function value    16481554.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.006     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.118, B  =  -0.559
Partial structure    1: scale =    0.403, B  =  75.264
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5043
Free R factor                        =     0.5402
Overall figure of merit              =     0.3509
-----------------------------------------------------------------------------
 Trying gamma equal   4.76360001E-04
 Gamma decreased to   4.76360001E-04




 fvalues    325338.59       67896.320       16481939.       16481867.    


 fvalues    325338.59       67896.320       16481957.       16481867.    


     CGMAT cycle number =    269


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   5.00000035E-03
 Actual weight    50.445160      is applied to the X-ray term


 function value    16479299.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.006     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.118, B  =  -0.560
Partial structure    1: scale =    0.403, B  =  75.251
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5043
Free R factor                        =     0.5402
Overall figure of merit              =     0.3510
-----------------------------------------------------------------------------
 Trying gamma equal   4.76360001E-04
 Gamma decreased to   4.76360001E-04




 fvalues    325338.47       67922.508       16479708.       16479674.    


 fvalues    325338.47       67922.508       16479652.       16479674.    


     CGMAT cycle number =    270


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   5.00000035E-03
 Actual weight    50.414795      is applied to the X-ray term


 function value    16469806.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.006     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.118, B  =  -0.569
Partial structure    1: scale =    0.403, B  =  75.237
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5042
Free R factor                        =     0.5401
Overall figure of merit              =     0.3510
-----------------------------------------------------------------------------
 Trying gamma equal   4.76360001E-04
 Gamma decreased to   4.76360001E-04




 fvalues    325344.63       67974.516       16470203.       16470158.    


 fvalues    325344.63       67974.516       16470160.       16470158.    


     CGMAT cycle number =    271


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999989E-03
 Actual weight    50.442310      is applied to the X-ray term


 function value    16478800.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.006     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.118, B  =  -0.565
Partial structure    1: scale =    0.403, B  =  75.240
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5042
Free R factor                        =     0.5401
Overall figure of merit              =     0.3510
-----------------------------------------------------------------------------
 Trying gamma equal   4.76360001E-04
 Gamma decreased to   4.76360001E-04




 fvalues    325345.66       67995.406       16479197.       16479182.    


 fvalues    325345.66       67995.406       16479169.       16479182.    


     CGMAT cycle number =    272


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999989E-03
 Actual weight    50.433968      is applied to the X-ray term


 function value    16476265.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.007     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.118, B  =  -0.566
Partial structure    1: scale =    0.403, B  =  75.257
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5042
Free R factor                        =     0.5401
Overall figure of merit              =     0.3510
-----------------------------------------------------------------------------
 Trying gamma equal   4.76360001E-04
 Gamma decreased to   4.76360001E-04




 fvalues    325347.59       68058.977       16476702.       16476629.    


 fvalues    325347.59       68058.977       16476650.       16476629.    


     CGMAT cycle number =    273


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999989E-03
 Actual weight    50.436420      is applied to the X-ray term


 function value    16477139.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.007     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.118, B  =  -0.564
Partial structure    1: scale =    0.403, B  =  75.238
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5042
Free R factor                        =     0.5400
Overall figure of merit              =     0.3510
-----------------------------------------------------------------------------
 Trying gamma equal   4.76360001E-04
 Gamma decreased to   4.76360001E-04




 fvalues    325348.72       68088.266       16477593.       16477513.    


 fvalues    325348.72       68088.266       16477576.       16477513.    


     CGMAT cycle number =    274


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999989E-03
 Actual weight    50.445415      is applied to the X-ray term


 function value    16479922.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.007     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.118, B  =  -0.560
Partial structure    1: scale =    0.403, B  =  75.212
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5042
Free R factor                        =     0.5400
Overall figure of merit              =     0.3510
-----------------------------------------------------------------------------
 Trying gamma equal   4.76360001E-04
 Gamma decreased to   4.76360001E-04




 fvalues    325344.81       68113.383       16480338.       16480267.    


 fvalues    325344.81       68113.383       16480332.       16480267.    


     CGMAT cycle number =    275


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999989E-03
 Actual weight    50.434937      is applied to the X-ray term


 function value    16476691.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.007     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.118, B  =  -0.562
Partial structure    1: scale =    0.403, B  =  75.233
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5042
Free R factor                        =     0.5400
Overall figure of merit              =     0.3510
-----------------------------------------------------------------------------
 Trying gamma equal   4.76360001E-04
 Gamma decreased to   4.76360001E-04




 fvalues    325348.56       68134.984       16477138.       16477069.    


 fvalues    325348.56       68134.984       16477108.       16477069.    


     CGMAT cycle number =    276


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999942E-03
 Actual weight    50.399021      is applied to the X-ray term


 function value    16465210.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.007     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.118, B  =  -0.569
Partial structure    1: scale =    0.403, B  =  75.214
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5042
Free R factor                        =     0.5400
Overall figure of merit              =     0.3510
-----------------------------------------------------------------------------
 Trying gamma equal   4.76360001E-04
 Gamma decreased to   4.76360001E-04




 fvalues    325351.88       68161.023       16465654.       16465577.    


 fvalues    325351.88       68161.023       16465599.       16465577.    


     CGMAT cycle number =    277


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999989E-03
 Actual weight    50.427944      is applied to the X-ray term


 function value    16474819.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.007     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.118, B  =  -0.565
Partial structure    1: scale =    0.403, B  =  75.258
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5042
Free R factor                        =     0.5399
Overall figure of merit              =     0.3510
-----------------------------------------------------------------------------
 Trying gamma equal   4.76360001E-04
 Gamma decreased to   4.76360001E-04




 fvalues    325354.94       68186.914       16475256.       16475168.    


 fvalues    325354.94       68186.914       16475197.       16475168.    


     CGMAT cycle number =    278


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999942E-03
 Actual weight    50.423733      is applied to the X-ray term


 function value    16473374.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.007     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.118, B  =  -0.563
Partial structure    1: scale =    0.403, B  =  75.336
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5042
Free R factor                        =     0.5400
Overall figure of merit              =     0.3510
-----------------------------------------------------------------------------
 Trying gamma equal   4.76360001E-04
 Gamma decreased to   4.76360001E-04




 fvalues    325352.94       68216.094       16473768.       16473726.    


 fvalues    325352.94       68216.094       16473750.       16473726.    


     CGMAT cycle number =    279


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999942E-03
 Actual weight    50.400047      is applied to the X-ray term


 function value    16466125.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.007     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.118, B  =  -0.569
Partial structure    1: scale =    0.403, B  =  75.517
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5042
Free R factor                        =     0.5400
Overall figure of merit              =     0.3510
-----------------------------------------------------------------------------
 Trying gamma equal   4.76360001E-04
 Gamma decreased to   4.76360001E-04




 fvalues    325360.56       68256.641       16466545.       16466445.    


 fvalues    325360.56       68256.641       16466461.       16466445.    


     CGMAT cycle number =    280


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   5.00000035E-03
 Actual weight    50.357071      is applied to the X-ray term


 function value    16452383.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.007     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.118, B  =  -0.576
Partial structure    1: scale =    0.403, B  =  75.497
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5042
Free R factor                        =     0.5400
Overall figure of merit              =     0.3511
-----------------------------------------------------------------------------
 Trying gamma equal   4.76360001E-04
 Gamma decreased to   4.76360001E-04




 fvalues    325364.41       68286.609       16452774.       16452685.    


 fvalues    325364.41       68286.609       16452703.       16452685.    


     CGMAT cycle number =    281


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999989E-03
 Actual weight    50.409740      is applied to the X-ray term


 function value    16469252.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.007     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.118, B  =  -0.562
Partial structure    1: scale =    0.403, B  =  75.479
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5042
Free R factor                        =     0.5399
Overall figure of merit              =     0.3510
-----------------------------------------------------------------------------
 Trying gamma equal   4.76360001E-04
 Gamma decreased to   4.76360001E-04




 fvalues    325358.25       68313.844       16469639.       16469539.    


 fvalues    325358.25       68313.844       16469575.       16469539.    


     CGMAT cycle number =    282


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999989E-03
 Actual weight    50.369617      is applied to the X-ray term


 function value    16456201.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.007     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.118, B  =  -0.567
Partial structure    1: scale =    0.403, B  =  75.459
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5042
Free R factor                        =     0.5399
Overall figure of merit              =     0.3511
-----------------------------------------------------------------------------
 Trying gamma equal   4.76360001E-04
 Gamma decreased to   4.76360001E-04




 fvalues    325357.84       68347.055       16456634.       16456497.    


 fvalues    325357.84       68347.055       16456530.       16456497.    


     CGMAT cycle number =    283


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999989E-03
 Actual weight    50.432884      is applied to the X-ray term


 function value    16476200.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.007     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.118, B  =  -0.550
Partial structure    1: scale =    0.403, B  =  75.433
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5042
Free R factor                        =     0.5399
Overall figure of merit              =     0.3510
-----------------------------------------------------------------------------
 Trying gamma equal   4.76360001E-04
 Gamma decreased to   4.76360001E-04




 fvalues    325346.03       68371.961       16476624.       16476511.    


 fvalues    325346.03       68371.961       16476598.       16476511.    


     CGMAT cycle number =    284


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999989E-03
 Actual weight    50.417084      is applied to the X-ray term


 function value    16471336.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.007     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.118, B  =  -0.554
Partial structure    1: scale =    0.403, B  =  75.391
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5042
Free R factor                        =     0.5399
Overall figure of merit              =     0.3510
-----------------------------------------------------------------------------
 Trying gamma equal   4.76360001E-04
 Gamma decreased to   4.76360001E-04




 fvalues    325351.34       68409.125       16471760.       16471675.    


 fvalues    325351.34       68409.125       16471737.       16471675.    


     CGMAT cycle number =    285


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999989E-03
 Actual weight    50.422825      is applied to the X-ray term


 function value    16473138.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.007     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.118, B  =  -0.551
Partial structure    1: scale =    0.403, B  =  75.369
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5042
Free R factor                        =     0.5399
Overall figure of merit              =     0.3510
-----------------------------------------------------------------------------
 Trying gamma equal   4.76360001E-04
 Gamma decreased to   4.76360001E-04




 fvalues    325349.22       68433.813       16473562.       16473461.    


 fvalues    325349.22       68433.813       16473513.       16473461.    


     CGMAT cycle number =    286


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999989E-03
 Actual weight    50.386482      is applied to the X-ray term


 function value    16461340.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.007     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.118, B  =  -0.556
Partial structure    1: scale =    0.403, B  =  75.349
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5042
Free R factor                        =     0.5399
Overall figure of merit              =     0.3511
-----------------------------------------------------------------------------
 Trying gamma equal   4.76360001E-04
 Gamma decreased to   4.76360001E-04




 fvalues    325349.94       68464.523       16461774.       16461704.    


 fvalues    325349.94       68464.523       16461723.       16461704.    


     CGMAT cycle number =    287


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999989E-03
 Actual weight    50.385540      is applied to the X-ray term


 function value    16461215.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.007     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.118, B  =  -0.558
Partial structure    1: scale =    0.403, B  =  75.330
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5042
Free R factor                        =     0.5398
Overall figure of merit              =     0.3511
-----------------------------------------------------------------------------
 Trying gamma equal   4.76360001E-04
 Gamma decreased to   4.76360001E-04




 fvalues    325352.03       68487.383       16461596.       16461525.    


 fvalues    325352.03       68487.383       16461567.       16461525.    


     CGMAT cycle number =    288


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999942E-03
 Actual weight    50.416790      is applied to the X-ray term


 function value    16471352.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.007     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.118, B  =  -0.550
Partial structure    1: scale =    0.403, B  =  75.339
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5042
Free R factor                        =     0.5398
Overall figure of merit              =     0.3510
-----------------------------------------------------------------------------
 Trying gamma equal   4.76360001E-04
 Gamma decreased to   4.76360001E-04




 fvalues    325351.00       68525.383       16471717.       16471678.    


 fvalues    325351.00       68525.383       16471750.       16471678.    


     CGMAT cycle number =    289


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   5.00000035E-03
 Actual weight    49.997246      is applied to the X-ray term


 function value    16335481.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.007     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.118, B  =  -0.561
Partial structure    1: scale =    0.403, B  =  75.643
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5042
Free R factor                        =     0.5398
Overall figure of merit              =     0.3521
-----------------------------------------------------------------------------
 Trying gamma equal   4.76360001E-04
 Gamma decreased to   4.76360001E-04




 fvalues    325362.94       68555.414       16335849.       16335806.    


 fvalues    325362.94       68555.414       16335833.       16335806.    


     CGMAT cycle number =    290


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999989E-03
 Actual weight    49.927456      is applied to the X-ray term


 function value    16312584.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.007     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.118, B  =  -0.581
Partial structure    1: scale =    0.403, B  =  75.624
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5042
Free R factor                        =     0.5398
Overall figure of merit              =     0.3522
-----------------------------------------------------------------------------
 Trying gamma equal   4.76360001E-04
 Gamma decreased to   4.76360001E-04




 fvalues    325358.78       68554.391       16312960.       16312890.    


 fvalues    325358.78       68554.391       16312939.       16312890.    


     CGMAT cycle number =    291


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999942E-03
 Actual weight    49.928719      is applied to the X-ray term


 function value    16312538.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.007     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.118, B  =  -0.586
Partial structure    1: scale =    0.403, B  =  75.602
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5041
Free R factor                        =     0.5398
Overall figure of merit              =     0.3522
-----------------------------------------------------------------------------
 Trying gamma equal   4.76360001E-04
 Gamma decreased to   4.76360001E-04




 fvalues    325350.28       68550.547       16312881.       16312874.    


 fvalues    325350.28       68550.547       16312874.       16312874.    


     CGMAT cycle number =    292


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999989E-03
 Actual weight    49.919334      is applied to the X-ray term


 function value    16309505.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.007     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.118, B  =  -0.602
Partial structure    1: scale =    0.403, B  =  75.598
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5041
Free R factor                        =     0.5398
Overall figure of merit              =     0.3522
-----------------------------------------------------------------------------
 Trying gamma equal   4.76360001E-04
 Gamma decreased to   4.76360001E-04




 fvalues    325349.66       68570.977       16309834.       16309809.    


 fvalues    325349.66       68570.977       16309801.       16309809.    


     CGMAT cycle number =    293


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999989E-03
 Actual weight    49.901783      is applied to the X-ray term


 function value    16303472.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.025     0.020
Bond distances: others                         3716     0.007     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.118, B  =  -0.606
Partial structure    1: scale =    0.403, B  =  75.590
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5041
Free R factor                        =     0.5398
Overall figure of merit              =     0.3522
-----------------------------------------------------------------------------
 Trying gamma equal   4.76360001E-04
 Gamma decreased to   4.76360001E-04




 fvalues    325342.38       68615.234       16303834.       16303780.    


 fvalues    325342.38       68615.234       16303797.       16303780.    


     CGMAT cycle number =    294


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999942E-03
 Actual weight    49.890862      is applied to the X-ray term


 function value    16299983.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.024     0.020
Bond distances: others                         3716     0.007     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.118, B  =  -0.610
Partial structure    1: scale =    0.403, B  =  75.605
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5041
Free R factor                        =     0.5398
Overall figure of merit              =     0.3522
-----------------------------------------------------------------------------
 Trying gamma equal   4.76360001E-04
 Gamma decreased to   4.76360001E-04




 fvalues    325343.38       68630.328       16300378.       16300291.    


 fvalues    325343.38       68630.328       16300320.       16300291.    


     CGMAT cycle number =    295


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999989E-03
 Actual weight    49.854343      is applied to the X-ray term


 function value    16288733.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.024     0.020
Bond distances: others                         3716     0.007     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.118, B  =  -0.622
Partial structure    1: scale =    0.403, B  =  75.793
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5041
Free R factor                        =     0.5398
Overall figure of merit              =     0.3523
-----------------------------------------------------------------------------
 Trying gamma equal   4.76360001E-04
 Gamma decreased to   4.76360001E-04




 fvalues    325355.19       68644.094       16289033.       16289013.    


 fvalues    325355.19       68644.094       16289040.       16289013.    


     CGMAT cycle number =    296


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999989E-03
 Actual weight    49.810886      is applied to the X-ray term


 function value    16274927.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.024     0.020
Bond distances: others                         3716     0.007     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.118, B  =  -0.632
Partial structure    1: scale =    0.403, B  =  75.772
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5041
Free R factor                        =     0.5398
Overall figure of merit              =     0.3523
-----------------------------------------------------------------------------
 Trying gamma equal   4.76360001E-04
 Gamma decreased to   4.76360001E-04




 fvalues    325361.59       68651.688       16275196.       16275201.    


     CGMAT cycle number =    297


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999989E-03
 Actual weight    50.042431      is applied to the X-ray term


 function value    16349996.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.024     0.020
Bond distances: others                         3716     0.007     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.118, B  =  -0.619
Partial structure    1: scale =    0.403, B  =  75.720
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5041
Free R factor                        =     0.5398
Overall figure of merit              =     0.3519
-----------------------------------------------------------------------------
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
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 Trying gamma equal   4.76360001E-04
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 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
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 Trying gamma equal   4.76360001E-04




 fvalues    325355.97       68704.016       16350539.       16350308.    


 fvalues    325355.97       68704.016       16350304.       16350308.    


     CGMAT cycle number =    298


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   5.00000035E-03
 Actual weight    50.069019      is applied to the X-ray term


 function value    16358787.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.024     0.020
Bond distances: others                         3716     0.007     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.118, B  =  -0.304
Partial structure    1: scale =    0.403, B  =  75.373
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5041
Free R factor                        =     0.5398
Overall figure of merit              =     0.3519
-----------------------------------------------------------------------------
 Trying gamma equal   4.76360001E-04
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 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04




 fvalues    325348.72       68970.633       16359062.       16358862.    


 fvalues    325348.72       68970.633       16358986.       16358862.    


     CGMAT cycle number =    299


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   5.00000035E-03
 Actual weight    50.052689      is applied to the X-ray term


 function value    16353660.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.024     0.020
Bond distances: others                         3716     0.007     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.118, B  =  -0.232
Partial structure    1: scale =    0.403, B  =  75.350
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5041
Free R factor                        =     0.5398
Overall figure of merit              =     0.3519
-----------------------------------------------------------------------------
 Trying gamma equal   4.76360001E-04
 Gamma decreased to   4.76360001E-04




 fvalues    325350.34       69036.961       16353695.       16353696.    


     CGMAT cycle number =    300


 fast hessian tabulation
 B ARRAY FOR HESSIAN TABULATION TOO BIG
 VALUE RESET TO MAXIMUM
 Weight matrix   4.99999989E-03
 Actual weight    50.064041      is applied to the X-ray term


 function value    16356226.    

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.024     0.020
Bond distances: others                         3716     0.007     0.020
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.118, B  =  -0.514
Partial structure    1: scale =    0.403, B  =  75.312
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall R factor                     =     0.5041
Free R factor                        =     0.5397
Overall figure of merit              =     0.3520
-----------------------------------------------------------------------------
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04
 Trying gamma equal   4.76360001E-04




 fvalues    325338.78       68650.859       16356668.       16356425.    


 fvalues    325338.78       68650.859       16356511.       16356425.    

    ****                         Bond distance outliers                         ****

Bond distance deviations from the ideal >10.000Sigma will be monitored

A      1 TRP N   . - A      1 TRP O   . mod.= 2.835 id.= 2.837 dev=  0.002 sig.= 0.000
A      1 TRP N   . - A      2 THR CA  . mod.= 4.694 id.= 4.707 dev=  0.013 sig.= 0.000
A      1 TRP N   . - A     21 ASP CA  . mod.= 4.809 id.= 4.802 dev= -0.007 sig.= 0.000
A      1 TRP N   . - A     21 ASP C   . mod.= 4.055 id.= 4.051 dev= -0.004 sig.= 0.000
A      1 TRP N   . - A     21 ASP O   . mod.= 2.955 id.= 2.953 dev= -0.003 sig.= 0.000
A      1 TRP N   . - A     22 TYR N   . mod.= 5.028 id.= 5.031 dev=  0.003 sig.= 0.000
A      1 TRP N   . - A     22 TYR CA  . mod.= 5.175 id.= 5.182 dev=  0.007 sig.= 0.000
A      1 TRP N   . - A     22 TYR C   . mod.= 5.675 id.= 5.682 dev=  0.007 sig.= 0.000
A      1 TRP N   . - A     22 TYR O   . mod.= 5.680 id.= 5.689 dev=  0.009 sig.= 0.000
A      1 TRP N   . - A     25 ASP N   . mod.= 4.822 id.= 4.825 dev=  0.003 sig.= 0.000
A      1 TRP N   . - A     25 ASP CA  . mod.= 5.131 id.= 5.135 dev=  0.004 sig.= 0.000
A      1 TRP CA  . - A      2 THR CA  . mod.= 3.812 id.= 3.824 dev=  0.013 sig.= 0.000
A      1 TRP CA  . - A      3 PRO N   . mod.= 5.336 id.= 5.344 dev=  0.008 sig.= 0.000
A      1 TRP CA  . - A     21 ASP CA  . mod.= 5.383 id.= 5.374 dev= -0.009 sig.= 0.000
A      1 TRP CA  . - A     21 ASP C   . mod.= 4.970 id.= 4.963 dev= -0.008 sig.= 0.000
A      1 TRP CA  . - A     21 ASP O   . mod.= 3.911 id.= 3.904 dev= -0.007 sig.= 0.000
A      1 TRP CA  . - A     24 TRP CA  . mod.= 5.785 id.= 5.790 dev=  0.005 sig.= 0.000
A      1 TRP CA  . - A     24 TRP C   . mod.= 5.373 id.= 5.378 dev=  0.005 sig.= 0.000
A      1 TRP CA  . - A     24 TRP O   . mod.= 5.681 id.= 5.690 dev=  0.008 sig.= 0.000
A      1 TRP CA  . - A     25 ASP N   . mod.= 5.312 id.= 5.315 dev=  0.003 sig.= 0.000
A      1 TRP C   . - A      2 THR C   . mod.= 3.455 id.= 3.450 dev= -0.005 sig.= 0.000
A      1 TRP C   . - A      2 THR O   . mod.= 4.099 id.= 4.095 dev= -0.004 sig.= 0.000
A      1 TRP C   . - A      3 PRO CA  . mod.= 5.327 id.= 5.333 dev=  0.006 sig.= 0.000
A      1 TRP C   . - A     21 ASP CA  . mod.= 4.936 id.= 4.925 dev= -0.011 sig.= 0.000
A      1 TRP C   . - A     21 ASP O   . mod.= 4.141 id.= 4.144 dev=  0.004 sig.= 0.000
A      1 TRP O   . - A      2 THR C   . mod.= 3.864 id.= 3.859 dev= -0.005 sig.= 0.000
A      1 TRP O   . - A      2 THR O   . mod.= 4.768 id.= 4.763 dev= -0.006 sig.= 0.000
A      1 TRP O   . - A      3 PRO N   . mod.= 4.147 id.= 4.156 dev=  0.009 sig.= 0.000
A      1 TRP O   . - A      3 PRO CA  . mod.= 5.465 id.= 5.477 dev=  0.012 sig.= 0.000
A      1 TRP O   . - A     20 THR O   . mod.= 5.796 id.= 5.812 dev=  0.016 sig.= 0.000
A      1 TRP O   . - A     21 ASP N   . mod.= 5.202 id.= 5.190 dev= -0.012 sig.= 0.000
A      1 TRP O   . - A     21 ASP CA  . mod.= 3.841 id.= 3.831 dev= -0.010 sig.= 0.000
A      1 TRP O   . - A     21 ASP C   . mod.= 4.101 id.= 4.104 dev=  0.003 sig.= 0.000
A      1 TRP O   . - A     21 ASP O   . mod.= 3.518 id.= 3.532 dev=  0.015 sig.= 0.000
A      1 TRP O   . - A     24 TRP CA  . mod.= 5.861 id.= 5.926 dev=  0.065 sig.= 0.000
A      2 THR N   . - A      2 THR O   . mod.= 2.904 id.= 2.912 dev=  0.008 sig.= 0.000
A      2 THR N   . - A      3 PRO N   . mod.= 3.373 id.= 3.366 dev= -0.007 sig.= 0.000
A      2 THR N   . - A      3 PRO CA  . mod.= 4.613 id.= 4.620 dev=  0.007 sig.= 0.000
A      2 THR N   . - A      3 PRO C   . mod.= 5.573 id.= 5.575 dev=  0.002 sig.= 0.000
A      2 THR N   . - A      3 PRO O   . mod.= 5.647 id.= 5.643 dev= -0.004 sig.= 0.000
A      2 THR CA  . - A      3 PRO CA  . mod.= 3.803 id.= 3.806 dev=  0.003 sig.= 0.000
A      2 THR CA  . - A      3 PRO C   . mod.= 4.507 id.= 4.504 dev= -0.003 sig.= 0.000
A      2 THR CA  . - A      3 PRO O   . mod.= 4.365 id.= 4.362 dev= -0.002 sig.= 0.000
A      2 THR CA  . - A      4 ASN N   . mod.= 5.660 id.= 5.657 dev= -0.003 sig.= 0.000
A      2 THR C   . - A      3 PRO C   . mod.= 3.174 id.= 3.171 dev= -0.003 sig.= 0.000
A      2 THR C   . - A      3 PRO O   . mod.= 3.304 id.= 3.311 dev=  0.007 sig.= 0.000
A      2 THR C   . - A      4 ASN N   . mod.= 4.233 id.= 4.229 dev= -0.004 sig.= 0.000
A      2 THR O   . - A      3 PRO CA  . mod.= 2.763 id.= 2.761 dev= -0.002 sig.= 0.000
A      2 THR O   . - A      3 PRO O   . mod.= 3.632 id.= 3.638 dev=  0.006 sig.= 0.000
A      2 THR O   . - A      4 ASN N   . mod.= 4.058 id.= 4.051 dev= -0.007 sig.= 0.000
A      3 PRO N   . - A      4 ASN N   . mod.= 3.618 id.= 3.624 dev=  0.006 sig.= 0.000
A      3 PRO N   . - A      4 ASN C   . mod.= 5.803 id.= 5.806 dev=  0.003 sig.= 0.000
A      3 PRO N   . - A      5 ASP N   . mod.= 5.595 id.= 5.602 dev=  0.007 sig.= 0.000
A      3 PRO N   . - A     85 ASN CA  . mod.= 5.979 id.= 5.984 dev=  0.005 sig.= 0.000
A      3 PRO CA  . - A      4 ASN CA  . mod.= 3.786 id.= 3.799 dev=  0.013 sig.= 0.000
A      3 PRO CA  . - A      4 ASN C   . mod.= 4.729 id.= 4.735 dev=  0.005 sig.= 0.000
A      3 PRO CA  . - A      4 ASN O   . mod.= 5.905 id.= 5.912 dev=  0.008 sig.= 0.000
A      3 PRO CA  . - A      5 ASP N   . mod.= 4.517 id.= 4.514 dev= -0.002 sig.= 0.000
A      3 PRO CA  . - A      5 ASP CA  . mod.= 5.803 id.= 5.795 dev= -0.008 sig.= 0.000
A      3 PRO CA  . - A     84 THR C   . mod.= 5.990 id.= 5.988 dev= -0.003 sig.= 0.000
A      3 PRO CA  . - A     85 ASN CA  . mod.= 4.592 id.= 4.595 dev=  0.003 sig.= 0.000
A      3 PRO CA  . - A     85 ASN C   . mod.= 5.969 id.= 5.982 dev=  0.013 sig.= 0.000
A      3 PRO C   . - A      4 ASN O   . mod.= 4.541 id.= 4.544 dev=  0.003 sig.= 0.000
A      3 PRO C   . - A      5 ASP N   . mod.= 3.360 id.= 3.358 dev= -0.002 sig.= 0.000
A      3 PRO C   . - A      5 ASP CA  . mod.= 4.744 id.= 4.739 dev= -0.005 sig.= 0.000
A      3 PRO C   . - A      5 ASP O   . mod.= 5.185 id.= 5.181 dev= -0.004 sig.= 0.000
A      3 PRO C   . - A     85 ASN CA  . mod.= 4.833 id.= 4.830 dev= -0.003 sig.= 0.000
A      3 PRO C   . - A     85 ASN C   . mod.= 5.989 id.= 5.994 dev=  0.005 sig.= 0.000
A      3 PRO O   . - A      4 ASN CA  . mod.= 2.810 id.= 2.808 dev= -0.002 sig.= 0.000
A      3 PRO O   . - A      5 ASP N   . mod.= 3.515 id.= 3.517 dev=  0.002 sig.= 0.000
A      3 PRO O   . - A      5 ASP C   . mod.= 5.199 id.= 5.203 dev=  0.004 sig.= 0.000
A      3 PRO O   . - A      5 ASP O   . mod.= 4.640 id.= 4.642 dev=  0.003 sig.= 0.000
A      3 PRO O   . - A      8 TYR CA  . mod.= 5.786 id.= 5.784 dev= -0.002 sig.= 0.000
A      3 PRO O   . - A      9 GLN N   . mod.= 5.892 id.= 5.896 dev=  0.005 sig.= 0.000
A      3 PRO O   . - A     85 ASN CA  . mod.= 5.925 id.= 5.923 dev= -0.002 sig.= 0.000
A      4 ASN N   . - A      4 ASN O   . mod.= 3.612 id.= 3.609 dev= -0.004 sig.= 0.000
A      4 ASN N   . - A     85 ASN CA  . mod.= 4.161 id.= 4.157 dev= -0.003 sig.= 0.000
A      4 ASN N   . - A     85 ASN O   . mod.= 5.671 id.= 5.673 dev=  0.003 sig.= 0.000
A      4 ASN N   . - A     86 ASN N   . mod.= 5.558 id.= 5.560 dev=  0.002 sig.= 0.000
A      4 ASN CA  . - A      5 ASP CA  . mod.= 3.839 id.= 3.832 dev= -0.007 sig.= 0.000
A      4 ASN CA  . - A      5 ASP C   . mod.= 4.418 id.= 4.415 dev= -0.003 sig.= 0.000
A      4 ASN CA  . - A      5 ASP O   . mod.= 4.391 id.= 4.387 dev= -0.004 sig.= 0.000
A      4 ASN CA  . - A     85 ASN N   . mod.= 5.679 id.= 5.673 dev= -0.006 sig.= 0.000
A      4 ASN CA  . - A     85 ASN CA  . mod.= 4.991 id.= 4.983 dev= -0.008 sig.= 0.000
A      4 ASN CA  . - A     85 ASN C   . mod.= 5.563 id.= 5.559 dev= -0.004 sig.= 0.000
A      4 ASN CA  . - A     86 ASN N   . mod.= 5.830 id.= 5.828 dev= -0.003 sig.= 0.000
A      4 ASN C   . - A      5 ASP C   . mod.= 2.999 id.= 2.997 dev= -0.002 sig.= 0.000
A      4 ASN C   . - A      5 ASP O   . mod.= 3.210 id.= 3.206 dev= -0.004 sig.= 0.000
A      4 ASN C   . - A      6 THR CA  . mod.= 4.862 id.= 4.858 dev= -0.004 sig.= 0.000
A      4 ASN C   . - A      6 THR C   . mod.= 5.700 id.= 5.702 dev=  0.002 sig.= 0.000
A      4 ASN C   . - A     85 ASN CA  . mod.= 5.172 id.= 5.169 dev= -0.003 sig.= 0.000
A      4 ASN C   . - A     86 ASN N   . mod.= 5.471 id.= 5.473 dev=  0.002 sig.= 0.000
A      4 ASN C   . - A     86 ASN C   . mod.= 5.823 id.= 5.827 dev=  0.004 sig.= 0.000
A      4 ASN C   . - A     87 ALA N   . mod.= 4.535 id.= 4.539 dev=  0.004 sig.= 0.000
A      4 ASN C   . - A     87 ALA CA  . mod.= 4.299 id.= 4.303 dev=  0.004 sig.= 0.000
A      4 ASN C   . - A     87 ALA O   . mod.= 5.994 id.= 5.998 dev=  0.005 sig.= 0.000
A      4 ASN O   . - A      5 ASP CA  . mod.= 2.878 id.= 2.876 dev= -0.002 sig.= 0.000
A      4 ASN O   . - A      6 THR C   . mod.= 5.318 id.= 5.324 dev=  0.006 sig.= 0.000
A      4 ASN O   . - A      7 TYR N   . mod.= 5.982 id.= 5.985 dev=  0.002 sig.= 0.000
A      4 ASN O   . - A     85 ASN CA  . mod.= 5.915 id.= 5.909 dev= -0.006 sig.= 0.000
A      4 ASN O   . - A     86 ASN N   . mod.= 5.782 id.= 5.779 dev= -0.003 sig.= 0.000
A      4 ASN O   . - A     87 ALA C   . mod.= 4.371 id.= 4.369 dev= -0.003 sig.= 0.000
A      4 ASN O   . - A     87 ALA O   . mod.= 5.111 id.= 5.113 dev=  0.002 sig.= 0.000
A      5 ASP N   . - A      5 ASP O   . mod.= 2.817 id.= 2.820 dev=  0.003 sig.= 0.000
A      5 ASP N   . - A      6 THR N   . mod.= 3.480 id.= 3.484 dev=  0.004 sig.= 0.000
A      5 ASP N   . - A      6 THR C   . mod.= 5.523 id.= 5.528 dev=  0.005 sig.= 0.000
A      5 ASP N   . - A     85 ASN N   . mod.= 4.807 id.= 4.810 dev=  0.004 sig.= 0.000
A      5 ASP N   . - A     85 ASN CA  . mod.= 4.713 id.= 4.709 dev= -0.004 sig.= 0.000
A      5 ASP N   . - A     90 ILE C   . mod.= 5.958 id.= 5.954 dev= -0.003 sig.= 0.000
A      5 ASP N   . - A     91 ALA N   . mod.= 5.961 id.= 5.958 dev= -0.003 sig.= 0.000
A      5 ASP CA  . - A      6 THR C   . mod.= 4.608 id.= 4.612 dev=  0.004 sig.= 0.000
A      5 ASP CA  . - A     85 ASN N   . mod.= 5.203 id.= 5.208 dev=  0.005 sig.= 0.000
A      5 ASP CA  . - A     85 ASN CA  . mod.= 5.399 id.= 5.396 dev= -0.004 sig.= 0.000
A      5 ASP CA  . - A     90 ILE CA  . mod.= 5.190 id.= 5.185 dev= -0.005 sig.= 0.000
A      5 ASP CA  . - A     90 ILE C   . mod.= 5.001 id.= 4.999 dev= -0.003 sig.= 0.000
A      5 ASP CA  . - A     90 ILE O   . mod.= 5.143 id.= 5.139 dev= -0.004 sig.= 0.000
A      5 ASP CA  . - A     91 ALA N   . mod.= 5.262 id.= 5.260 dev= -0.002 sig.= 0.000
A      5 ASP CA  . - A     91 ALA CA  . mod.= 5.796 id.= 5.793 dev= -0.003 sig.= 0.000
A      5 ASP C   . - A      6 THR O   . mod.= 3.928 id.= 3.925 dev= -0.003 sig.= 0.000
A      5 ASP C   . - A      7 TYR CA  . mod.= 4.452 id.= 4.450 dev= -0.002 sig.= 0.000
A      5 ASP C   . - A      7 TYR C   . mod.= 4.627 id.= 4.625 dev= -0.002 sig.= 0.000
A      5 ASP C   . - A      7 TYR O   . mod.= 5.836 id.= 5.833 dev= -0.003 sig.= 0.000
A      5 ASP C   . - A      8 TYR N   . mod.= 3.782 id.= 3.780 dev= -0.002 sig.= 0.000
A      5 ASP C   . - A      8 TYR CA  . mod.= 4.626 id.= 4.624 dev= -0.002 sig.= 0.000
A      5 ASP C   . - A     87 ALA N   . mod.= 5.477 id.= 5.479 dev=  0.002 sig.= 0.000
A      5 ASP C   . - A     88 THR CA  . mod.= 5.206 id.= 5.209 dev=  0.003 sig.= 0.000
A      5 ASP C   . - A     90 ILE CA  . mod.= 5.308 id.= 5.305 dev= -0.003 sig.= 0.000
A      5 ASP O   . - A      6 THR CA  . mod.= 2.995 id.= 2.992 dev= -0.003 sig.= 0.000
A      5 ASP O   . - A      6 THR C   . mod.= 3.059 id.= 3.062 dev=  0.004 sig.= 0.000
A      5 ASP O   . - A     90 ILE CA  . mod.= 5.709 id.= 5.706 dev= -0.002 sig.= 0.000
A      5 ASP O   . - A     91 ALA N   . mod.= 5.962 id.= 5.964 dev=  0.002 sig.= 0.000
A      6 THR N   . - A     87 ALA C   . mod.= 4.120 id.= 4.117 dev= -0.003 sig.= 0.000
A      6 THR N   . - A     88 THR CA  . mod.= 4.396 id.= 4.399 dev=  0.004 sig.= 0.000
A      6 THR N   . - A     88 THR C   . mod.= 4.117 id.= 4.115 dev= -0.002 sig.= 0.000
A      6 THR N   . - A     90 ILE N   . mod.= 5.291 id.= 5.293 dev=  0.002 sig.= 0.000
A      6 THR CA  . - A      7 TYR CA  . mod.= 3.787 id.= 3.790 dev=  0.003 sig.= 0.000
A      6 THR CA  . - A     87 ALA CA  . mod.= 5.516 id.= 5.512 dev= -0.004 sig.= 0.000
A      6 THR CA  . - A     87 ALA C   . mod.= 4.881 id.= 4.877 dev= -0.004 sig.= 0.000
A      6 THR CA  . - A     88 THR CA  . mod.= 5.118 id.= 5.125 dev=  0.007 sig.= 0.000
A      6 THR CA  . - A     89 GLY N   . mod.= 4.674 id.= 4.678 dev=  0.004 sig.= 0.000
A      6 THR CA  . - A     89 GLY CA  . mod.= 5.138 id.= 5.142 dev=  0.003 sig.= 0.000
A      6 THR CA  . - A     89 GLY C   . mod.= 4.870 id.= 4.875 dev=  0.005 sig.= 0.000
A      6 THR CA  . - A     89 GLY O   . mod.= 3.925 id.= 3.929 dev=  0.004 sig.= 0.000
A      6 THR C   . - A      8 TYR N   . mod.= 3.509 id.= 3.512 dev=  0.003 sig.= 0.000
A      6 THR C   . - A      8 TYR CA  . mod.= 4.914 id.= 4.916 dev=  0.002 sig.= 0.000
A      6 THR C   . - A      8 TYR C   . mod.= 5.664 id.= 5.667 dev=  0.003 sig.= 0.000
A      6 THR C   . - A      9 GLN N   . mod.= 5.412 id.= 5.414 dev=  0.002 sig.= 0.000
A      6 THR C   . - A     88 THR C   . mod.= 5.904 id.= 5.900 dev= -0.004 sig.= 0.000
A      6 THR C   . - A     89 GLY N   . mod.= 5.427 id.= 5.425 dev= -0.002 sig.= 0.000
A      6 THR C   . - A     89 GLY CA  . mod.= 5.505 id.= 5.502 dev= -0.003 sig.= 0.000
A      6 THR O   . - A      7 TYR CA  . mod.= 2.767 id.= 2.771 dev=  0.004 sig.= 0.000
A      6 THR O   . - A      7 TYR O   . mod.= 4.517 id.= 4.521 dev=  0.004 sig.= 0.000
A      6 THR O   . - A      9 GLN N   . mod.= 4.994 id.= 4.992 dev= -0.002 sig.= 0.000
A      6 THR O   . - A      9 GLN CA  . mod.= 5.893 id.= 5.890 dev= -0.003 sig.= 0.000
A      6 THR O   . - A     89 GLY O   . mod.= 5.012 id.= 5.015 dev=  0.003 sig.= 0.000
A      7 TYR N   . - A     88 THR C   . mod.= 5.621 id.= 5.618 dev= -0.003 sig.= 0.000
A      7 TYR CA  . - A      9 GLN CA  . mod.= 5.933 id.= 5.930 dev= -0.002 sig.= 0.000
A      7 TYR CA  . - A     10 GLY N   . mod.= 5.226 id.= 5.223 dev= -0.003 sig.= 0.000
A      7 TYR CA  . - A     11 TYR N   . mod.= 4.923 id.= 4.918 dev= -0.005 sig.= 0.000
A      7 TYR CA  . - A     11 TYR CA  . mod.= 5.288 id.= 5.292 dev=  0.004 sig.= 0.000
A      7 TYR CA  . - A     11 TYR C   . mod.= 5.853 id.= 5.857 dev=  0.004 sig.= 0.000
A      7 TYR CA  . - A     12 GLN N   . mod.= 5.591 id.= 5.595 dev=  0.003 sig.= 0.000
A      7 TYR C   . - A      8 TYR C   . mod.= 3.129 id.= 3.132 dev=  0.002 sig.= 0.000
A      7 TYR C   . - A     10 GLY N   . mod.= 4.347 id.= 4.344 dev= -0.002 sig.= 0.000
A      7 TYR C   . - A     11 TYR N   . mod.= 4.106 id.= 4.102 dev= -0.004 sig.= 0.000
A      7 TYR C   . - A     11 TYR C   . mod.= 4.941 id.= 4.944 dev=  0.003 sig.= 0.000
A      7 TYR C   . - A     12 GLN N   . mod.= 4.429 id.= 4.432 dev=  0.003 sig.= 0.000
A      7 TYR O   . - A      8 TYR C   . mod.= 3.093 id.= 3.096 dev=  0.003 sig.= 0.000
A      7 TYR O   . - A     10 GLY O   . mod.= 5.271 id.= 5.269 dev= -0.002 sig.= 0.000
A      7 TYR O   . - A     11 TYR N   . mod.= 3.057 id.= 3.054 dev= -0.003 sig.= 0.000
A      7 TYR O   . - A     11 TYR C   . mod.= 3.714 id.= 3.716 dev=  0.003 sig.= 0.000
A      7 TYR O   . - A     11 TYR O   . mod.= 4.809 id.= 4.804 dev= -0.005 sig.= 0.000
A      7 TYR O   . - A     12 GLN N   . mod.= 3.288 id.= 3.290 dev=  0.002 sig.= 0.000
A      7 TYR O   . - A     12 GLN O   . mod.= 5.416 id.= 5.420 dev=  0.004 sig.= 0.000
A      7 TYR O   . - A     90 ILE CA  . mod.= 5.929 id.= 5.926 dev= -0.002 sig.= 0.000
A      8 TYR N   . - A     12 GLN CA  . mod.= 5.698 id.= 5.696 dev= -0.002 sig.= 0.000
A      8 TYR N   . - A     89 GLY C   . mod.= 5.254 id.= 5.252 dev= -0.002 sig.= 0.000
A      8 TYR N   . - A     90 ILE C   . mod.= 5.735 id.= 5.738 dev=  0.003 sig.= 0.000
A      8 TYR N   . - A     91 ALA N   . mod.= 5.522 id.= 5.525 dev=  0.003 sig.= 0.000
A      8 TYR CA  . - A     12 GLN CA  . mod.= 5.012 id.= 5.010 dev= -0.002 sig.= 0.000
A      8 TYR CA  . - A     90 ILE C   . mod.= 5.891 id.= 5.896 dev=  0.005 sig.= 0.000
A      8 TYR CA  . - A     91 ALA N   . mod.= 5.342 id.= 5.348 dev=  0.006 sig.= 0.000
A      8 TYR O   . - A      9 GLN C   . mod.= 3.189 id.= 3.191 dev=  0.002 sig.= 0.000
A      8 TYR O   . - A     11 TYR N   . mod.= 3.861 id.= 3.863 dev=  0.002 sig.= 0.000
A      8 TYR O   . - A     11 TYR CA  . mod.= 4.652 id.= 4.649 dev= -0.002 sig.= 0.000
A      8 TYR O   . - A     11 TYR O   . mod.= 5.469 id.= 5.464 dev= -0.005 sig.= 0.000
A      8 TYR O   . - A     13 TYR N   . mod.= 5.245 id.= 5.250 dev=  0.005 sig.= 0.000
A      9 GLN N   . - A     11 TYR CA  . mod.= 5.732 id.= 5.734 dev=  0.002 sig.= 0.000
A      9 GLN CA  . - A     12 GLN N   . mod.= 5.623 id.= 5.621 dev= -0.002 sig.= 0.000
A      9 GLN C   . - A     11 TYR CA  . mod.= 5.049 id.= 5.052 dev=  0.003 sig.= 0.000
A      9 GLN O   . - A     10 GLY CA  . mod.= 2.643 id.= 2.639 dev= -0.004 sig.= 0.000
A      9 GLN O   . - A     11 TYR C   . mod.= 5.888 id.= 5.885 dev= -0.003 sig.= 0.000
A     10 GLY N   . - A     11 TYR CA  . mod.= 4.205 id.= 4.209 dev=  0.004 sig.= 0.000
A     10 GLY CA  . - A     11 TYR CA  . mod.= 3.775 id.= 3.781 dev=  0.006 sig.= 0.000
A     10 GLY CA  . - A     11 TYR C   . mod.= 4.846 id.= 4.843 dev= -0.003 sig.= 0.000
A     10 GLY CA  . - A     11 TYR O   . mod.= 5.850 id.= 5.846 dev= -0.003 sig.= 0.000
A     10 GLY CA  . - A     12 GLN O   . mod.= 5.622 id.= 5.619 dev= -0.003 sig.= 0.000
A     10 GLY C   . - A     12 GLN CA  . mod.= 5.323 id.= 5.325 dev=  0.002 sig.= 0.000
A     10 GLY O   . - A     11 TYR CA  . mod.= 2.731 id.= 2.735 dev=  0.004 sig.= 0.000
A     10 GLY O   . - A     11 TYR C   . mod.= 3.832 id.= 3.829 dev= -0.003 sig.= 0.000
A     10 GLY O   . - A     12 GLN CA  . mod.= 5.779 id.= 5.781 dev=  0.003 sig.= 0.000
A     10 GLY O   . - A     12 GLN C   . mod.= 5.869 id.= 5.871 dev=  0.002 sig.= 0.000
A     11 TYR N   . - A     12 GLN N   . mod.= 2.865 id.= 2.867 dev=  0.002 sig.= 0.000
A     11 TYR N   . - A     12 GLN CA  . mod.= 4.298 id.= 4.303 dev=  0.005 sig.= 0.000
A     11 TYR N   . - A     12 GLN C   . mod.= 4.805 id.= 4.810 dev=  0.005 sig.= 0.000
A     11 TYR N   . - A     12 GLN O   . mod.= 4.400 id.= 4.405 dev=  0.006 sig.= 0.000
A     11 TYR CA  . - A     12 GLN CA  . mod.= 3.787 id.= 3.779 dev= -0.008 sig.= 0.000
A     11 TYR CA  . - A     12 GLN C   . mod.= 4.496 id.= 4.489 dev= -0.008 sig.= 0.000
A     11 TYR CA  . - A     12 GLN O   . mod.= 4.435 id.= 4.429 dev= -0.006 sig.= 0.000
A     11 TYR CA  . - A     13 TYR N   . mod.= 5.595 id.= 5.587 dev= -0.007 sig.= 0.000
A     11 TYR C   . - A    211 VAL N   . mod.= 5.890 id.= 5.883 dev= -0.007 sig.= 0.000
A     11 TYR O   . - A     12 GLN CA  . mod.= 2.675 id.= 2.672 dev= -0.003 sig.= 0.000
A     11 TYR O   . - A     13 TYR CA  . mod.= 5.212 id.= 5.214 dev=  0.002 sig.= 0.000
A     11 TYR O   . - A    209 ASP O   . mod.= 5.125 id.= 5.109 dev= -0.015 sig.= 0.000
A     11 TYR O   . - A    211 VAL N   . mod.= 5.067 id.= 5.063 dev= -0.004 sig.= 0.000
A     11 TYR O   . - A    211 VAL CA  . mod.= 5.482 id.= 5.489 dev=  0.007 sig.= 0.000
A     12 GLN N   . - A     13 TYR N   . mod.= 3.583 id.= 3.586 dev=  0.002 sig.= 0.000
A     12 GLN N   . - A     13 TYR C   . mod.= 5.979 id.= 5.977 dev= -0.002 sig.= 0.000
A     12 GLN CA  . - A     13 TYR CA  . mod.= 3.803 id.= 3.808 dev=  0.005 sig.= 0.000
A     12 GLN CA  . - A     13 TYR O   . mod.= 5.864 id.= 5.868 dev=  0.003 sig.= 0.000
A     12 GLN CA  . - A     14 GLY CA  . mod.= 5.856 id.= 5.853 dev= -0.003 sig.= 0.000
A     12 GLN CA  . - A    211 VAL N   . mod.= 5.818 id.= 5.823 dev=  0.005 sig.= 0.000
A     12 GLN C   . - A     14 GLY CA  . mod.= 5.252 id.= 5.249 dev= -0.003 sig.= 0.000
A     12 GLN O   . - A     13 TYR CA  . mod.= 2.814 id.= 2.816 dev=  0.002 sig.= 0.000
A     12 GLN O   . - A     13 TYR O   . mod.= 4.917 id.= 4.919 dev=  0.002 sig.= 0.000
A     13 TYR N   . - A     14 GLY N   . mod.= 2.645 id.= 2.642 dev= -0.003 sig.= 0.000
A     13 TYR N   . - A     14 GLY CA  . mod.= 4.063 id.= 4.059 dev= -0.004 sig.= 0.000
A     13 TYR N   . - A     16 GLN N   . mod.= 5.488 id.= 5.492 dev=  0.004 sig.= 0.000
A     13 TYR CA  . - A     16 GLN CA  . mod.= 5.151 id.= 5.154 dev=  0.003 sig.= 0.000
A     13 TYR CA  . - A     16 GLN C   . mod.= 5.585 id.= 5.588 dev=  0.002 sig.= 0.000
A     13 TYR CA  . - A     17 ASN N   . mod.= 4.937 id.= 4.939 dev=  0.002 sig.= 0.000
A     13 TYR C   . - A     14 GLY C   . mod.= 3.107 id.= 3.109 dev=  0.002 sig.= 0.000
A     13 TYR C   . - A     15 PRO N   . mod.= 3.435 id.= 3.431 dev= -0.004 sig.= 0.000
A     13 TYR C   . - A     15 PRO CA  . mod.= 4.571 id.= 4.566 dev= -0.006 sig.= 0.000
A     13 TYR C   . - A     15 PRO C   . mod.= 4.598 id.= 4.593 dev= -0.005 sig.= 0.000
A     13 TYR C   . - A     15 PRO O   . mod.= 5.587 id.= 5.583 dev= -0.004 sig.= 0.000
A     13 TYR C   . - A     16 GLN N   . mod.= 3.830 id.= 3.825 dev= -0.005 sig.= 0.000
A     13 TYR C   . - A     16 GLN CA  . mod.= 4.471 id.= 4.469 dev= -0.002 sig.= 0.000
A     13 TYR C   . - A     17 ASN CA  . mod.= 4.809 id.= 4.811 dev=  0.002 sig.= 0.000
A     13 TYR C   . - A     17 ASN C   . mod.= 5.806 id.= 5.808 dev=  0.003 sig.= 0.000
A     13 TYR O   . - A     14 GLY CA  . mod.= 2.949 id.= 2.952 dev=  0.003 sig.= 0.000
A     13 TYR O   . - A     14 GLY C   . mod.= 3.099 id.= 3.103 dev=  0.005 sig.= 0.000
A     13 TYR O   . - A     16 GLN O   . mod.= 4.860 id.= 4.863 dev=  0.003 sig.= 0.000
A     13 TYR O   . - A     17 ASN O   . mod.= 5.648 id.= 5.653 dev=  0.005 sig.= 0.000
A     14 GLY N   . - A     17 ASN CA  . mod.= 5.585 id.= 5.582 dev= -0.003 sig.= 0.000
A     14 GLY CA  . - A     15 PRO CA  . mod.= 3.836 id.= 3.831 dev= -0.005 sig.= 0.000
A     14 GLY CA  . - A     15 PRO O   . mod.= 5.384 id.= 5.382 dev= -0.003 sig.= 0.000
A     14 GLY CA  . - A     16 GLN C   . mod.= 5.784 id.= 5.786 dev=  0.003 sig.= 0.000
A     14 GLY CA  . - A     17 ASN C   . mod.= 5.895 id.= 5.898 dev=  0.003 sig.= 0.000
A     14 GLY CA  . - A    206 PRO N   . mod.= 5.779 id.= 5.769 dev= -0.010 sig.= 0.000
A     14 GLY CA  . - A    206 PRO CA  . mod.= 5.421 id.= 5.403 dev= -0.018 sig.= 0.000
A     14 GLY CA  . - A    206 PRO C   . mod.= 5.935 id.= 5.926 dev= -0.008 sig.= 0.000
A     14 GLY CA  . - A    206 PRO O   . mod.= 5.890 id.= 5.901 dev=  0.011 sig.= 0.000
A     14 GLY C   . - A     15 PRO O   . mod.= 3.938 id.= 3.933 dev= -0.005 sig.= 0.000
A     14 GLY C   . - A     16 GLN C   . mod.= 4.906 id.= 4.909 dev=  0.002 sig.= 0.000
A     14 GLY C   . - A     17 ASN C   . mod.= 5.153 id.= 5.156 dev=  0.003 sig.= 0.000
A     14 GLY C   . - A     18 THR CA  . mod.= 5.404 id.= 5.407 dev=  0.003 sig.= 0.000
A     14 GLY O   . - A     15 PRO CA  . mod.= 2.768 id.= 2.765 dev= -0.003 sig.= 0.000
A     14 GLY O   . - A     15 PRO O   . mod.= 3.562 id.= 3.558 dev= -0.004 sig.= 0.000
A     14 GLY O   . - A     17 ASN CA  . mod.= 4.322 id.= 4.319 dev= -0.003 sig.= 0.000
A     14 GLY O   . - A     17 ASN O   . mod.= 5.112 id.= 5.118 dev=  0.007 sig.= 0.000
A     14 GLY O   . - A     18 THR N   . mod.= 3.561 id.= 3.558 dev= -0.003 sig.= 0.000
A     14 GLY O   . - A     18 THR CA  . mod.= 4.250 id.= 4.253 dev=  0.003 sig.= 0.000
A     14 GLY O   . - A     18 THR C   . mod.= 5.254 id.= 5.252 dev= -0.002 sig.= 0.000
A     14 GLY O   . - A     19 TYR N   . mod.= 5.469 id.= 5.466 dev= -0.003 sig.= 0.000
A     14 GLY O   . - A     20 THR N   . mod.= 5.956 id.= 5.953 dev= -0.003 sig.= 0.000
A     14 GLY O   . - A    206 PRO N   . mod.= 5.711 id.= 5.702 dev= -0.009 sig.= 0.000
A     14 GLY O   . - A    206 PRO CA  . mod.= 5.929 id.= 5.914 dev= -0.015 sig.= 0.000
A     15 PRO N   . - A     17 ASN CA  . mod.= 5.593 id.= 5.590 dev= -0.002 sig.= 0.000
A     15 PRO N   . - A     18 THR N   . mod.= 5.162 id.= 5.157 dev= -0.004 sig.= 0.000
A     15 PRO CA  . - A     16 GLN C   . mod.= 4.560 id.= 4.562 dev=  0.003 sig.= 0.000
A     15 PRO CA  . - A     18 THR CA  . mod.= 5.428 id.= 5.432 dev=  0.004 sig.= 0.000
A     15 PRO CA  . - A     20 THR CA  . mod.= 4.866 id.= 4.864 dev= -0.003 sig.= 0.000
A     15 PRO CA  . - A     20 THR C   . mod.= 5.469 id.= 5.465 dev= -0.004 sig.= 0.000
A     15 PRO CA  . - A     21 ASP N   . mod.= 5.315 id.= 5.317 dev=  0.002 sig.= 0.000
A     15 PRO C   . - A     16 GLN O   . mod.= 3.857 id.= 3.855 dev= -0.002 sig.= 0.000
A     15 PRO C   . - A     17 ASN O   . mod.= 5.978 id.= 5.980 dev=  0.003 sig.= 0.000
A     15 PRO C   . - A     18 THR CA  . mod.= 4.746 id.= 4.750 dev=  0.004 sig.= 0.000
A     15 PRO C   . - A     20 THR CA  . mod.= 4.448 id.= 4.444 dev= -0.003 sig.= 0.000
A     15 PRO C   . - A     20 THR C   . mod.= 5.011 id.= 5.006 dev= -0.005 sig.= 0.000
A     15 PRO C   . - A     21 ASP CA  . mod.= 5.672 id.= 5.666 dev= -0.006 sig.= 0.000
A     15 PRO O   . - A     18 THR N   . mod.= 3.333 id.= 3.329 dev= -0.004 sig.= 0.000
A     15 PRO O   . - A     18 THR O   . mod.= 4.552 id.= 4.550 dev= -0.002 sig.= 0.000
A     15 PRO O   . - A     19 TYR O   . mod.= 4.971 id.= 4.973 dev=  0.002 sig.= 0.000
A     15 PRO O   . - A     20 THR CA  . mod.= 3.537 id.= 3.533 dev= -0.004 sig.= 0.000
A     15 PRO O   . - A     20 THR C   . mod.= 4.298 id.= 4.295 dev= -0.002 sig.= 0.000
A     15 PRO O   . - A     20 THR O   . mod.= 5.483 id.= 5.476 dev= -0.007 sig.= 0.000
A     15 PRO O   . - A     21 ASP CA  . mod.= 5.255 id.= 5.253 dev= -0.003 sig.= 0.000
A     16 GLN N   . - A     18 THR CA  . mod.= 5.413 id.= 5.416 dev=  0.003 sig.= 0.000
A     16 GLN N   . - A     19 TYR N   . mod.= 4.920 id.= 4.923 dev=  0.002 sig.= 0.000
A     16 GLN N   . - A     19 TYR C   . mod.= 5.738 id.= 5.740 dev=  0.003 sig.= 0.000
A     16 GLN N   . - A     20 THR CA  . mod.= 5.544 id.= 5.541 dev= -0.003 sig.= 0.000
A     16 GLN N   . - A     20 THR C   . mod.= 5.922 id.= 5.918 dev= -0.004 sig.= 0.000
A     16 GLN CA  . - A     17 ASN CA  . mod.= 3.817 id.= 3.819 dev=  0.002 sig.= 0.000
A     16 GLN CA  . - A     19 TYR N   . mod.= 4.624 id.= 4.627 dev=  0.003 sig.= 0.000
A     16 GLN CA  . - A     19 TYR C   . mod.= 5.554 id.= 5.557 dev=  0.002 sig.= 0.000
A     16 GLN CA  . - A     20 THR N   . mod.= 5.043 id.= 5.040 dev= -0.002 sig.= 0.000
A     16 GLN CA  . - A     20 THR CA  . mod.= 5.942 id.= 5.937 dev= -0.005 sig.= 0.000
A     16 GLN CA  . - A     21 ASP N   . mod.= 5.367 id.= 5.363 dev= -0.005 sig.= 0.000
A     16 GLN C   . - A     18 THR C   . mod.= 4.712 id.= 4.715 dev=  0.003 sig.= 0.000
A     16 GLN C   . - A     18 THR O   . mod.= 5.887 id.= 5.889 dev=  0.002 sig.= 0.000
A     16 GLN C   . - A     19 TYR N   . mod.= 3.820 id.= 3.825 dev=  0.005 sig.= 0.000
A     16 GLN C   . - A     19 TYR CA  . mod.= 4.519 id.= 4.522 dev=  0.003 sig.= 0.000
A     16 GLN C   . - A     19 TYR C   . mod.= 5.365 id.= 5.369 dev=  0.004 sig.= 0.000
A     16 GLN O   . - A     17 ASN CA  . mod.= 2.816 id.= 2.820 dev=  0.004 sig.= 0.000
A     16 GLN O   . - A     17 ASN C   . mod.= 3.260 id.= 3.258 dev= -0.002 sig.= 0.000
A     16 GLN O   . - A     17 ASN O   . mod.= 4.198 id.= 4.193 dev= -0.004 sig.= 0.000
A     16 GLN O   . - A     18 THR CA  . mod.= 4.339 id.= 4.336 dev= -0.002 sig.= 0.000
A     16 GLN O   . - A     19 TYR N   . mod.= 3.108 id.= 3.111 dev=  0.003 sig.= 0.000
A     16 GLN O   . - A     19 TYR O   . mod.= 5.765 id.= 5.769 dev=  0.003 sig.= 0.000
A     16 GLN O   . - A     20 THR N   . mod.= 4.692 id.= 4.688 dev= -0.003 sig.= 0.000
A     16 GLN O   . - A     21 ASP N   . mod.= 5.827 id.= 5.821 dev= -0.006 sig.= 0.000
A     17 ASN N   . - A     19 TYR N   . mod.= 4.297 id.= 4.300 dev=  0.003 sig.= 0.000
A     17 ASN N   . - A     19 TYR CA  . mod.= 5.312 id.= 5.315 dev=  0.003 sig.= 0.000
A     17 ASN CA  . - A     19 TYR N   . mod.= 4.334 id.= 4.338 dev=  0.004 sig.= 0.000
A     17 ASN CA  . - A     19 TYR CA  . mod.= 5.513 id.= 5.517 dev=  0.004 sig.= 0.000
A     17 ASN C   . - A    272 ILE O   . mod.= 5.257 id.= 5.259 dev=  0.002 sig.= 0.000
A     17 ASN O   . - A     19 TYR CA  . mod.= 5.388 id.= 5.386 dev= -0.002 sig.= 0.000
A     17 ASN O   . - A    272 ILE C   . mod.= 5.876 id.= 5.884 dev=  0.008 sig.= 0.000
A     17 ASN O   . - A    272 ILE O   . mod.= 4.654 id.= 4.660 dev=  0.006 sig.= 0.000
A     18 THR N   . - A     20 THR CA  . mod.= 5.787 id.= 5.783 dev= -0.004 sig.= 0.000
A     18 THR CA  . - A     19 TYR CA  . mod.= 3.905 id.= 3.902 dev= -0.003 sig.= 0.000
A     18 THR CA  . - A    272 ILE CA  . mod.= 5.772 id.= 5.775 dev=  0.003 sig.= 0.000
A     18 THR CA  . - A    272 ILE C   . mod.= 4.633 id.= 4.630 dev= -0.003 sig.= 0.000
A     18 THR CA  . - A    272 ILE O   . mod.= 3.635 id.= 3.631 dev= -0.004 sig.= 0.000
A     18 THR CA  . - A    273 ASN CA  . mod.= 4.838 id.= 4.831 dev= -0.006 sig.= 0.000
A     18 THR CA  . - A    273 ASN C   . mod.= 5.444 id.= 5.441 dev= -0.003 sig.= 0.000
A     18 THR CA  . - A    274 SER N   . mod.= 4.826 id.= 4.823 dev= -0.003 sig.= 0.000
A     18 THR CA  . - A    274 SER CA  . mod.= 5.795 id.= 5.792 dev= -0.003 sig.= 0.000
A     18 THR C   . - A     20 THR C   . mod.= 5.725 id.= 5.728 dev=  0.002 sig.= 0.000
A     18 THR C   . - A    273 ASN N   . mod.= 5.101 id.= 5.105 dev=  0.004 sig.= 0.000
A     18 THR C   . - A    273 ASN CA  . mod.= 4.346 id.= 4.344 dev= -0.002 sig.= 0.000
A     18 THR O   . - A     19 TYR C   . mod.= 3.196 id.= 3.198 dev=  0.002 sig.= 0.000
A     18 THR O   . - A     19 TYR O   . mod.= 3.874 id.= 3.876 dev=  0.002 sig.= 0.000
A     18 THR O   . - A     20 THR C   . mod.= 5.685 id.= 5.689 dev=  0.004 sig.= 0.000
A     18 THR O   . - A    272 ILE CA  . mod.= 5.715 id.= 5.719 dev=  0.003 sig.= 0.000
A     18 THR O   . - A    273 ASN N   . mod.= 4.277 id.= 4.280 dev=  0.003 sig.= 0.000
A     18 THR O   . - A    273 ASN CA  . mod.= 3.436 id.= 3.433 dev= -0.003 sig.= 0.000
A     18 THR O   . - A    274 SER C   . mod.= 4.486 id.= 4.488 dev=  0.002 sig.= 0.000
A     18 THR O   . - A    274 SER O   . mod.= 5.686 id.= 5.688 dev=  0.002 sig.= 0.000
A     19 TYR N   . - A     20 THR N   . mod.= 2.776 id.= 2.773 dev= -0.003 sig.= 0.000
A     19 TYR N   . - A     20 THR CA  . mod.= 4.193 id.= 4.188 dev= -0.005 sig.= 0.000
A     19 TYR N   . - A     21 ASP N   . mod.= 5.125 id.= 5.123 dev= -0.003 sig.= 0.000
A     19 TYR N   . - A    274 SER CA  . mod.= 5.651 id.= 5.647 dev= -0.004 sig.= 0.000
A     19 TYR CA  . - A     20 THR CA  . mod.= 3.835 id.= 3.831 dev= -0.004 sig.= 0.000
A     19 TYR CA  . - A     21 ASP N   . mod.= 4.394 id.= 4.390 dev= -0.004 sig.= 0.000
A     19 TYR CA  . - A     21 ASP CA  . mod.= 5.471 id.= 5.469 dev= -0.002 sig.= 0.000
A     19 TYR CA  . - A     22 TYR CA  . mod.= 5.493 id.= 5.499 dev=  0.005 sig.= 0.000
A     19 TYR CA  . - A     23 ALA N   . mod.= 5.516 id.= 5.520 dev=  0.004 sig.= 0.000
A     19 TYR CA  . - A    273 ASN CA  . mod.= 5.807 id.= 5.810 dev=  0.003 sig.= 0.000
A     19 TYR CA  . - A    273 ASN C   . mod.= 5.908 id.= 5.914 dev=  0.006 sig.= 0.000
A     19 TYR CA  . - A    274 SER N   . mod.= 5.088 id.= 5.091 dev=  0.003 sig.= 0.000
A     19 TYR CA  . - A    274 SER C   . mod.= 5.789 id.= 5.794 dev=  0.005 sig.= 0.000
A     19 TYR CA  . - A    275 TYR N   . mod.= 4.983 id.= 4.986 dev=  0.003 sig.= 0.000
A     19 TYR CA  . - A    275 TYR CA  . mod.= 5.647 id.= 5.650 dev=  0.003 sig.= 0.000
A     19 TYR C   . - A     21 ASP N   . mod.= 3.282 id.= 3.279 dev= -0.003 sig.= 0.000
A     19 TYR C   . - A     21 ASP CA  . mod.= 4.455 id.= 4.452 dev= -0.003 sig.= 0.000
A     19 TYR C   . - A     22 TYR CA  . mod.= 4.620 id.= 4.622 dev=  0.002 sig.= 0.000
A     19 TYR C   . - A    273 ASN C   . mod.= 5.877 id.= 5.879 dev=  0.002 sig.= 0.000
A     19 TYR C   . - A    274 SER CA  . mod.= 4.952 id.= 4.949 dev= -0.003 sig.= 0.000
A     19 TYR O   . - A     20 THR CA  . mod.= 2.877 id.= 2.874 dev= -0.003 sig.= 0.000
A     19 TYR O   . - A     20 THR C   . mod.= 3.226 id.= 3.230 dev=  0.004 sig.= 0.000
A     19 TYR O   . - A     20 THR O   . mod.= 3.794 id.= 3.796 dev=  0.002 sig.= 0.000
A     19 TYR O   . - A    273 ASN C   . mod.= 5.849 id.= 5.851 dev=  0.002 sig.= 0.000
A     19 TYR O   . - A    274 SER CA  . mod.= 4.760 id.= 4.758 dev= -0.003 sig.= 0.000
A     19 TYR O   . - A    274 SER O   . mod.= 5.361 id.= 5.364 dev=  0.003 sig.= 0.000
A     20 THR N   . - A     21 ASP CA  . mod.= 4.140 id.= 4.135 dev= -0.005 sig.= 0.000
A     20 THR N   . - A     21 ASP O   . mod.= 5.905 id.= 5.902 dev= -0.003 sig.= 0.000
A     20 THR N   . - A    274 SER CA  . mod.= 5.094 id.= 5.091 dev= -0.004 sig.= 0.000
A     20 THR N   . - A    275 TYR CA  . mod.= 5.896 id.= 5.893 dev= -0.003 sig.= 0.000
A     20 THR CA  . - A     21 ASP CA  . mod.= 3.790 id.= 3.784 dev= -0.006 sig.= 0.000
A     20 THR CA  . - A     21 ASP O   . mod.= 5.488 id.= 5.484 dev= -0.004 sig.= 0.000
A     20 THR CA  . - A     22 TYR CA  . mod.= 5.317 id.= 5.313 dev= -0.004 sig.= 0.000
A     20 THR CA  . - A     22 TYR C   . mod.= 5.222 id.= 5.218 dev= -0.004 sig.= 0.000
A     20 THR CA  . - A     23 ALA N   . mod.= 4.156 id.= 4.152 dev= -0.004 sig.= 0.000
A     20 THR CA  . - A     23 ALA CA  . mod.= 4.589 id.= 4.587 dev= -0.003 sig.= 0.000
A     20 THR CA  . - A     23 ALA C   . mod.= 5.324 id.= 5.320 dev= -0.004 sig.= 0.000
A     20 THR CA  . - A     24 TRP N   . mod.= 5.070 id.= 5.067 dev= -0.004 sig.= 0.000
A     20 THR CA  . - A    274 SER N   . mod.= 5.470 id.= 5.467 dev= -0.003 sig.= 0.000
A     20 THR CA  . - A    274 SER CA  . mod.= 5.058 id.= 5.051 dev= -0.007 sig.= 0.000
A     20 THR CA  . - A    274 SER C   . mod.= 5.337 id.= 5.334 dev= -0.004 sig.= 0.000
A     20 THR CA  . - A    275 TYR N   . mod.= 5.252 id.= 5.247 dev= -0.005 sig.= 0.000
A     20 THR C   . - A     21 ASP O   . mod.= 4.080 id.= 4.076 dev= -0.004 sig.= 0.000
A     20 THR C   . - A     22 TYR N   . mod.= 3.238 id.= 3.241 dev=  0.002 sig.= 0.000
A     20 THR C   . - A     22 TYR O   . mod.= 5.463 id.= 5.461 dev= -0.002 sig.= 0.000
A     20 THR C   . - A     24 TRP N   . mod.= 4.050 id.= 4.048 dev= -0.002 sig.= 0.000
A     20 THR C   . - A     24 TRP CA  . mod.= 5.011 id.= 5.006 dev= -0.006 sig.= 0.000
A     20 THR O   . - A     21 ASP CA  . mod.= 2.800 id.= 2.791 dev= -0.009 sig.= 0.000
A     20 THR O   . - A     21 ASP O   . mod.= 3.774 id.= 3.770 dev= -0.004 sig.= 0.000
A     20 THR O   . - A     23 ALA CA  . mod.= 3.354 id.= 3.358 dev=  0.004 sig.= 0.000
A     20 THR O   . - A     23 ALA C   . mod.= 3.518 id.= 3.520 dev=  0.002 sig.= 0.000
A     20 THR O   . - A     23 ALA O   . mod.= 4.706 id.= 4.709 dev=  0.004 sig.= 0.000
A     20 THR O   . - A     24 TRP CA  . mod.= 3.825 id.= 3.822 dev= -0.003 sig.= 0.000
A     20 THR O   . - A     24 TRP C   . mod.= 5.125 id.= 5.120 dev= -0.005 sig.= 0.000
A     20 THR O   . - A     25 ASP N   . mod.= 5.351 id.= 5.348 dev= -0.003 sig.= 0.000
A     20 THR O   . - A     27 THR O   . mod.= 5.839 id.= 5.844 dev=  0.005 sig.= 0.000
A     21 ASP N   . - A     21 ASP O   . mod.= 3.584 id.= 3.581 dev= -0.003 sig.= 0.000
A     21 ASP N   . - A     22 TYR CA  . mod.= 4.216 id.= 4.214 dev= -0.002 sig.= 0.000
A     21 ASP N   . - A     22 TYR O   . mod.= 5.716 id.= 5.713 dev= -0.003 sig.= 0.000
A     21 ASP CA  . - A     22 TYR CA  . mod.= 3.844 id.= 3.847 dev=  0.003 sig.= 0.000
A     21 ASP CA  . - A     24 TRP CA  . mod.= 5.195 id.= 5.192 dev= -0.003 sig.= 0.000
A     21 ASP CA  . - A     25 ASP N   . mod.= 5.996 id.= 5.994 dev= -0.002 sig.= 0.000
A     21 ASP C   . - A     22 TYR C   . mod.= 3.130 id.= 3.128 dev= -0.002 sig.= 0.000
A     21 ASP C   . - A     22 TYR O   . mod.= 3.994 id.= 3.991 dev= -0.003 sig.= 0.000
A     21 ASP C   . - A     23 ALA C   . mod.= 4.823 id.= 4.826 dev=  0.003 sig.= 0.000
A     21 ASP C   . - A     24 TRP N   . mod.= 4.019 id.= 4.024 dev=  0.005 sig.= 0.000
A     21 ASP C   . - A     24 TRP CA  . mod.= 4.767 id.= 4.771 dev=  0.005 sig.= 0.000
A     21 ASP O   . - A     23 ALA N   . mod.= 3.758 id.= 3.760 dev=  0.002 sig.= 0.000
A     21 ASP O   . - A     23 ALA C   . mod.= 4.758 id.= 4.761 dev=  0.002 sig.= 0.000
A     21 ASP O   . - A     24 TRP N   . mod.= 3.828 id.= 3.831 dev=  0.003 sig.= 0.000
A     21 ASP O   . - A     24 TRP CA  . mod.= 4.285 id.= 4.288 dev=  0.003 sig.= 0.000
A     21 ASP O   . - A     25 ASP CA  . mod.= 5.096 id.= 5.091 dev= -0.005 sig.= 0.000
A     22 TYR N   . - A     22 TYR O   . mod.= 3.449 id.= 3.445 dev= -0.004 sig.= 0.000
A     22 TYR N   . - A     24 TRP CA  . mod.= 5.313 id.= 5.316 dev=  0.003 sig.= 0.000
A     22 TYR CA  . - A     24 TRP CA  . mod.= 5.476 id.= 5.478 dev=  0.002 sig.= 0.000
A     22 TYR CA  . - A     25 ASP CA  . mod.= 5.647 id.= 5.645 dev= -0.003 sig.= 0.000
A     22 TYR CA  . - A    275 TYR CA  . mod.= 5.695 id.= 5.697 dev=  0.002 sig.= 0.000
A     22 TYR C   . - A     24 TRP CA  . mod.= 4.504 id.= 4.506 dev=  0.002 sig.= 0.000
A     22 TYR C   . - A     24 TRP C   . mod.= 4.762 id.= 4.764 dev=  0.002 sig.= 0.000
A     22 TYR C   . - A    275 TYR CA  . mod.= 5.001 id.= 5.003 dev=  0.002 sig.= 0.000
A     22 TYR O   . - A     23 ALA CA  . mod.= 2.833 id.= 2.831 dev= -0.002 sig.= 0.000
A     22 TYR O   . - A     23 ALA O   . mod.= 3.680 id.= 3.677 dev= -0.003 sig.= 0.000
A     22 TYR O   . - A     24 TRP N   . mod.= 3.421 id.= 3.419 dev= -0.002 sig.= 0.000
A     22 TYR O   . - A     24 TRP C   . mod.= 4.325 id.= 4.327 dev=  0.003 sig.= 0.000
A     22 TYR O   . - A     26 VAL CA  . mod.= 5.196 id.= 5.198 dev=  0.002 sig.= 0.000
A     22 TYR O   . - A    275 TYR CA  . mod.= 5.461 id.= 5.465 dev=  0.004 sig.= 0.000
A     23 ALA CA  . - A     26 VAL CA  . mod.= 5.429 id.= 5.434 dev=  0.005 sig.= 0.000
A     23 ALA CA  . - A     26 VAL C   . mod.= 5.996 id.= 6.000 dev=  0.004 sig.= 0.000
A     23 ALA CA  . - A    274 SER CA  . mod.= 5.653 id.= 5.649 dev= -0.003 sig.= 0.000
A     23 ALA C   . - A     26 VAL N   . mod.= 3.755 id.= 3.757 dev=  0.002 sig.= 0.000
A     23 ALA C   . - A     26 VAL CA  . mod.= 4.547 id.= 4.551 dev=  0.004 sig.= 0.000
A     23 ALA C   . - A     26 VAL C   . mod.= 4.881 id.= 4.884 dev=  0.003 sig.= 0.000
A     23 ALA C   . - A     27 THR C   . mod.= 4.773 id.= 4.771 dev= -0.002 sig.= 0.000
A     23 ALA O   . - A     26 VAL CA  . mod.= 3.458 id.= 3.460 dev=  0.002 sig.= 0.000
A     23 ALA O   . - A     26 VAL C   . mod.= 3.694 id.= 3.697 dev=  0.003 sig.= 0.000
A     23 ALA O   . - A     27 THR C   . mod.= 4.049 id.= 4.046 dev= -0.002 sig.= 0.000
A     23 ALA O   . - A     28 LYS CA  . mod.= 5.981 id.= 5.984 dev=  0.003 sig.= 0.000
A     24 TRP N   . - A     24 TRP O   . mod.= 3.619 id.= 3.617 dev= -0.002 sig.= 0.000
A     24 TRP N   . - A     25 ASP CA  . mod.= 4.209 id.= 4.207 dev= -0.002 sig.= 0.000
A     24 TRP N   . - A     25 ASP C   . mod.= 4.759 id.= 4.756 dev= -0.003 sig.= 0.000
A     24 TRP N   . - A     25 ASP O   . mod.= 5.970 id.= 5.967 dev= -0.003 sig.= 0.000
A     24 TRP N   . - A     28 LYS N   . mod.= 5.853 id.= 5.855 dev=  0.003 sig.= 0.000
A     24 TRP CA  . - A     27 THR N   . mod.= 4.324 id.= 4.328 dev=  0.004 sig.= 0.000
A     24 TRP CA  . - A     27 THR CA  . mod.= 4.857 id.= 4.859 dev=  0.002 sig.= 0.000
A     24 TRP CA  . - A     27 THR C   . mod.= 4.127 id.= 4.130 dev=  0.003 sig.= 0.000
A     24 TRP CA  . - A     27 THR O   . mod.= 3.290 id.= 3.292 dev=  0.003 sig.= 0.000
A     24 TRP CA  . - A     28 LYS N   . mod.= 4.892 id.= 4.894 dev=  0.003 sig.= 0.000
A     24 TRP CA  . - A     28 LYS CA  . mod.= 4.977 id.= 4.986 dev=  0.010 sig.= 0.000
A     24 TRP C   . - A     25 ASP O   . mod.= 4.208 id.= 4.211 dev=  0.002 sig.= 0.000
A     24 TRP C   . - A     26 VAL N   . mod.= 3.231 id.= 3.234 dev=  0.003 sig.= 0.000
A     24 TRP C   . - A     26 VAL CA  . mod.= 4.481 id.= 4.484 dev=  0.002 sig.= 0.000
A     24 TRP C   . - A     27 THR N   . mod.= 4.025 id.= 4.030 dev=  0.004 sig.= 0.000
A     24 TRP C   . - A     27 THR C   . mod.= 4.377 id.= 4.380 dev=  0.003 sig.= 0.000
A     24 TRP C   . - A     28 LYS CA  . mod.= 5.453 id.= 5.456 dev=  0.003 sig.= 0.000
A     24 TRP O   . - A     25 ASP CA  . mod.= 2.814 id.= 2.817 dev=  0.003 sig.= 0.000
A     24 TRP O   . - A     25 ASP C   . mod.= 3.282 id.= 3.279 dev= -0.002 sig.= 0.000
A     24 TRP O   . - A     25 ASP O   . mod.= 4.049 id.= 4.051 dev=  0.003 sig.= 0.000
A     24 TRP O   . - A     26 VAL C   . mod.= 4.422 id.= 4.420 dev= -0.002 sig.= 0.000
A     24 TRP O   . - A     27 THR N   . mod.= 3.908 id.= 3.911 dev=  0.004 sig.= 0.000
A     24 TRP O   . - A     27 THR C   . mod.= 4.031 id.= 4.034 dev=  0.003 sig.= 0.000
A     25 ASP N   . - A     25 ASP O   . mod.= 3.576 id.= 3.574 dev= -0.002 sig.= 0.000
A     25 ASP N   . - A     26 VAL C   . mod.= 4.666 id.= 4.663 dev= -0.003 sig.= 0.000
A     25 ASP N   . - A     26 VAL O   . mod.= 5.680 id.= 5.678 dev= -0.002 sig.= 0.000
A     25 ASP CA  . - A     26 VAL C   . mod.= 4.607 id.= 4.604 dev= -0.003 sig.= 0.000
A     25 ASP C   . - A     26 VAL C   . mod.= 3.331 id.= 3.329 dev= -0.002 sig.= 0.000
A     25 ASP C   . - A     27 THR CA  . mod.= 5.049 id.= 5.047 dev= -0.002 sig.= 0.000
A     25 ASP O   . - A     26 VAL C   . mod.= 3.599 id.= 3.595 dev= -0.004 sig.= 0.000
A     26 VAL CA  . - A     27 THR CA  . mod.= 3.847 id.= 3.839 dev= -0.008 sig.= 0.000
A     26 VAL CA  . - A     27 THR C   . mod.= 4.913 id.= 4.908 dev= -0.005 sig.= 0.000
A     26 VAL CA  . - A     28 LYS N   . mod.= 5.998 id.= 5.992 dev= -0.005 sig.= 0.000
A     26 VAL C   . - A     28 LYS N   . mod.= 4.710 id.= 4.708 dev= -0.002 sig.= 0.000
A     27 THR N   . - A     27 THR O   . mod.= 2.837 id.= 2.840 dev=  0.003 sig.= 0.000
A     27 THR N   . - A     28 LYS N   . mod.= 3.635 id.= 3.639 dev=  0.003 sig.= 0.000
A     27 THR N   . - A     28 LYS CA  . mod.= 4.892 id.= 4.889 dev= -0.003 sig.= 0.000
A     27 THR N   . - A     28 LYS C   . mod.= 5.957 id.= 5.954 dev= -0.003 sig.= 0.000
A     27 THR CA  . - A     28 LYS CA  . mod.= 3.838 id.= 3.831 dev= -0.006 sig.= 0.000
A     27 THR CA  . - A     28 LYS C   . mod.= 4.719 id.= 4.713 dev= -0.006 sig.= 0.000
A     27 THR CA  . - A     28 LYS O   . mod.= 5.920 id.= 5.914 dev= -0.006 sig.= 0.000
A     27 THR CA  . - A     29 GLY N   . mod.= 4.402 id.= 4.398 dev= -0.004 sig.= 0.000
A     27 THR CA  . - A     29 GLY CA  . mod.= 5.611 id.= 5.607 dev= -0.004 sig.= 0.000
A     27 THR CA  . - A    238 LEU O   . mod.= 5.692 id.= 5.700 dev=  0.008 sig.= 0.000
A     27 THR C   . - A     28 LYS C   . mod.= 3.478 id.= 3.476 dev= -0.003 sig.= 0.000
A     27 THR C   . - A     28 LYS O   . mod.= 4.625 id.= 4.621 dev= -0.003 sig.= 0.000
A     27 THR C   . - A     29 GLY O   . mod.= 5.444 id.= 5.449 dev=  0.005 sig.= 0.000
A     27 THR C   . - A    238 LEU O   . mod.= 5.816 id.= 5.821 dev=  0.004 sig.= 0.000
A     27 THR O   . - A     28 LYS CA  . mod.= 2.773 id.= 2.776 dev=  0.003 sig.= 0.000
A     27 THR O   . - A     28 LYS C   . mod.= 3.829 id.= 3.831 dev=  0.002 sig.= 0.000
A     27 THR O   . - A     29 GLY N   . mod.= 3.998 id.= 4.002 dev=  0.005 sig.= 0.000
A     27 THR O   . - A     29 GLY CA  . mod.= 5.330 id.= 5.333 dev=  0.003 sig.= 0.000
A     27 THR O   . - A    238 LEU CA  . mod.= 5.597 id.= 5.605 dev=  0.008 sig.= 0.000
A     28 LYS N   . - A     28 LYS O   . mod.= 3.604 id.= 3.595 dev= -0.009 sig.= 0.000
A     28 LYS N   . - A     29 GLY O   . mod.= 4.313 id.= 4.319 dev=  0.005 sig.= 0.000
A     28 LYS CA  . - A     29 GLY O   . mod.= 4.268 id.= 4.271 dev=  0.003 sig.= 0.000
A     28 LYS CA  . - A     94 ALA CA  . mod.= 5.826 id.= 5.828 dev=  0.003 sig.= 0.000
A     28 LYS CA  . - A     94 ALA C   . mod.= 5.731 id.= 5.729 dev= -0.002 sig.= 0.000
A     28 LYS C   . - A     94 ALA C   . mod.= 4.862 id.= 4.859 dev= -0.003 sig.= 0.000
A     28 LYS C   . - A     94 ALA O   . mod.= 5.654 id.= 5.650 dev= -0.004 sig.= 0.000
A     28 LYS C   . - A     97 THR N   . mod.= 5.429 id.= 5.427 dev= -0.003 sig.= 0.000
A     28 LYS C   . - A    238 LEU CA  . mod.= 5.461 id.= 5.457 dev= -0.004 sig.= 0.000
A     28 LYS O   . - A     93 MET O   . mod.= 5.795 id.= 5.798 dev=  0.003 sig.= 0.000
A     28 LYS O   . - A     94 ALA O   . mod.= 4.601 id.= 4.597 dev= -0.004 sig.= 0.000
A     28 LYS O   . - A     97 THR N   . mod.= 4.427 id.= 4.425 dev= -0.003 sig.= 0.000
A     28 LYS O   . - A     97 THR CA  . mod.= 5.615 id.= 5.612 dev= -0.003 sig.= 0.000
A     29 GLY N   . - A     97 THR N   . mod.= 5.638 id.= 5.636 dev= -0.002 sig.= 0.000
A     29 GLY N   . - A    237 ALA O   . mod.= 5.372 id.= 5.376 dev=  0.004 sig.= 0.000
A     29 GLY N   . - A    238 LEU CA  . mod.= 4.636 id.= 4.633 dev= -0.003 sig.= 0.000
A     29 GLY N   . - A    241 SER CA  . mod.= 5.823 id.= 5.827 dev=  0.004 sig.= 0.000
A     29 GLY CA  . - A     30 SER C   . mod.= 4.724 id.= 4.722 dev= -0.002 sig.= 0.000
A     29 GLY CA  . - A     96 ASN CA  . mod.= 5.014 id.= 5.011 dev= -0.003 sig.= 0.000
A     29 GLY CA  . - A     97 THR CA  . mod.= 5.428 id.= 5.425 dev= -0.003 sig.= 0.000
A     29 GLY CA  . - A    237 ALA C   . mod.= 4.918 id.= 4.915 dev= -0.002 sig.= 0.000
A     29 GLY CA  . - A    238 LEU N   . mod.= 4.964 id.= 4.960 dev= -0.004 sig.= 0.000
A     29 GLY CA  . - A    238 LEU CA  . mod.= 4.402 id.= 4.396 dev= -0.006 sig.= 0.000
A     29 GLY CA  . - A    238 LEU O   . mod.= 4.918 id.= 4.913 dev= -0.004 sig.= 0.000
A     29 GLY CA  . - A    241 SER CA  . mod.= 5.000 id.= 5.003 dev=  0.003 sig.= 0.000
A     29 GLY C   . - A     30 SER O   . mod.= 4.097 id.= 4.100 dev=  0.002 sig.= 0.000
A     29 GLY C   . - A     96 ASN CA  . mod.= 4.607 id.= 4.604 dev= -0.003 sig.= 0.000
A     29 GLY C   . - A     96 ASN O   . mod.= 5.423 id.= 5.421 dev= -0.003 sig.= 0.000
A     29 GLY C   . - A     97 THR CA  . mod.= 5.279 id.= 5.281 dev=  0.002 sig.= 0.000
A     29 GLY C   . - A    238 LEU CA  . mod.= 5.772 id.= 5.769 dev= -0.002 sig.= 0.000
A     29 GLY C   . - A    241 SER CA  . mod.= 5.009 id.= 5.011 dev=  0.002 sig.= 0.000
A     29 GLY O   . - A     31 SER N   . mod.= 4.576 id.= 4.579 dev=  0.003 sig.= 0.000
A     29 GLY O   . - A     31 SER CA  . mod.= 5.970 id.= 5.972 dev=  0.002 sig.= 0.000
A     29 GLY O   . - A     96 ASN O   . mod.= 5.718 id.= 5.715 dev= -0.003 sig.= 0.000
A     29 GLY O   . - A     97 THR N   . mod.= 5.339 id.= 5.336 dev= -0.003 sig.= 0.000
A     29 GLY O   . - A    241 SER CA  . mod.= 5.628 id.= 5.623 dev= -0.005 sig.= 0.000
A     30 SER N   . - A     30 SER O   . mod.= 2.864 id.= 2.867 dev=  0.002 sig.= 0.000
A     30 SER N   . - A     31 SER N   . mod.= 3.555 id.= 3.551 dev= -0.004 sig.= 0.000
A     30 SER N   . - A     31 SER CA  . mod.= 4.840 id.= 4.836 dev= -0.004 sig.= 0.000
A     30 SER N   . - A     32 GLY N   . mod.= 5.432 id.= 5.430 dev= -0.002 sig.= 0.000
A     30 SER N   . - A     33 GLN N   . mod.= 5.550 id.= 5.553 dev=  0.003 sig.= 0.000
A     30 SER N   . - A     96 ASN CA  . mod.= 4.753 id.= 4.748 dev= -0.005 sig.= 0.000
A     30 SER N   . - A     96 ASN O   . mod.= 4.962 id.= 4.959 dev= -0.003 sig.= 0.000
A     30 SER N   . - A     97 THR N   . mod.= 4.335 id.= 4.338 dev=  0.003 sig.= 0.000
A     30 SER N   . - A     97 THR CA  . mod.= 4.622 id.= 4.626 dev=  0.004 sig.= 0.000
A     30 SER N   . - A    237 ALA C   . mod.= 5.860 id.= 5.856 dev= -0.004 sig.= 0.000
A     30 SER N   . - A    237 ALA O   . mod.= 5.003 id.= 5.000 dev= -0.003 sig.= 0.000
A     30 SER N   . - A    241 SER N   . mod.= 5.494 id.= 5.492 dev= -0.002 sig.= 0.000
A     30 SER N   . - A    241 SER C   . mod.= 5.924 id.= 5.921 dev= -0.002 sig.= 0.000
A     30 SER CA  . - A     33 GLN CA  . mod.= 5.665 id.= 5.670 dev=  0.005 sig.= 0.000
A     30 SER CA  . - A    241 SER CA  . mod.= 5.344 id.= 5.336 dev= -0.008 sig.= 0.000
A     30 SER C   . - A     33 GLN N   . mod.= 3.887 id.= 3.890 dev=  0.003 sig.= 0.000
A     30 SER C   . - A     33 GLN CA  . mod.= 4.781 id.= 4.786 dev=  0.005 sig.= 0.000
A     30 SER C   . - A     33 GLN C   . mod.= 5.280 id.= 5.200 dev= -0.080 sig.= 0.000
A     30 SER C   . - A     33 GLN O   . mod.= 4.744 id.= 4.742 dev= -0.002 sig.= 0.000
A     30 SER C   . - A     96 ASN CA  . mod.= 4.668 id.= 4.666 dev= -0.002 sig.= 0.000
A     30 SER O   . - A     31 SER C   . mod.= 3.247 id.= 3.250 dev=  0.002 sig.= 0.000
A     30 SER O   . - A     32 GLY CA  . mod.= 4.285 id.= 4.283 dev= -0.002 sig.= 0.000
A     30 SER O   . - A     32 GLY C   . mod.= 4.135 id.= 4.132 dev= -0.003 sig.= 0.000
A     30 SER O   . - A     32 GLY O   . mod.= 5.249 id.= 5.245 dev= -0.004 sig.= 0.000
A     30 SER O   . - A     33 GLN CA  . mod.= 3.764 id.= 3.768 dev=  0.004 sig.= 0.000
A     30 SER O   . - A     33 GLN C   . mod.= 4.127 id.= 4.036 dev= -0.091 sig.= 0.000
A     30 SER O   . - A     33 GLN O   . mod.= 3.617 id.= 3.613 dev= -0.004 sig.= 0.000
A     30 SER O   . - A     34 GLU N   . mod.= 5.222 id.= 5.233 dev=  0.011 sig.= 0.000
A     30 SER O   . - A     96 ASN C   . mod.= 4.064 id.= 4.067 dev=  0.003 sig.= 0.000
A     31 SER N   . - A     33 GLN N   . mod.= 4.287 id.= 4.290 dev=  0.003 sig.= 0.000
A     31 SER N   . - A     33 GLN CA  . mod.= 5.417 id.= 5.421 dev=  0.004 sig.= 0.000
A     31 SER N   . - A     33 GLN C   . mod.= 5.844 id.= 5.785 dev= -0.059 sig.= 0.000
A     31 SER N   . - A     96 ASN N   . mod.= 5.900 id.= 5.903 dev=  0.003 sig.= 0.000
A     31 SER CA  . - A     33 GLN C   . mod.= 5.441 id.= 5.403 dev= -0.037 sig.= 0.000
A     31 SER CA  . - A     97 THR N   . mod.= 4.747 id.= 4.745 dev= -0.003 sig.= 0.000
A     31 SER CA  . - A     97 THR O   . mod.= 5.919 id.= 5.916 dev= -0.004 sig.= 0.000
A     31 SER CA  . - A     98 ARG N   . mod.= 4.680 id.= 4.677 dev= -0.003 sig.= 0.000
A     31 SER CA  . - A     98 ARG CA  . mod.= 5.600 id.= 5.598 dev= -0.002 sig.= 0.000
A     31 SER C   . - A     32 GLY C   . mod.= 3.192 id.= 3.195 dev=  0.003 sig.= 0.000
A     31 SER C   . - A     32 GLY O   . mod.= 4.289 id.= 4.292 dev=  0.003 sig.= 0.000
A     31 SER C   . - A     33 GLN N   . mod.= 3.172 id.= 3.176 dev=  0.004 sig.= 0.000
A     31 SER C   . - A     33 GLN CA  . mod.= 4.475 id.= 4.477 dev=  0.002 sig.= 0.000
A     31 SER C   . - A     33 GLN C   . mod.= 4.765 id.= 4.759 dev= -0.006 sig.= 0.000
A     31 SER C   . - A     33 GLN O   . mod.= 4.113 id.= 4.116 dev=  0.002 sig.= 0.000
A     31 SER O   . - A     32 GLY CA  . mod.= 2.786 id.= 2.784 dev= -0.003 sig.= 0.000
A     31 SER O   . - A     33 GLN CA  . mod.= 4.549 id.= 4.546 dev= -0.003 sig.= 0.000
A     31 SER O   . - A     33 GLN C   . mod.= 4.552 id.= 4.568 dev=  0.016 sig.= 0.000
A     31 SER O   . - A     34 GLU N   . mod.= 5.768 id.= 5.763 dev= -0.005 sig.= 0.000
A     31 SER O   . - A     97 THR C   . mod.= 5.663 id.= 5.661 dev= -0.003 sig.= 0.000
A     31 SER O   . - A     98 ARG N   . mod.= 4.775 id.= 4.772 dev= -0.004 sig.= 0.000
A     31 SER O   . - A     98 ARG CA  . mod.= 5.227 id.= 5.225 dev= -0.002 sig.= 0.000
A     32 GLY N   . - A     33 GLN CA  . mod.= 4.071 id.= 4.068 dev= -0.003 sig.= 0.000
A     32 GLY N   . - A     33 GLN C   . mod.= 4.782 id.= 4.770 dev= -0.013 sig.= 0.000
A     32 GLY CA  . - A     33 GLN CA  . mod.= 3.787 id.= 3.779 dev= -0.008 sig.= 0.000
A     32 GLY CA  . - A     33 GLN C   . mod.= 4.677 id.= 4.690 dev=  0.013 sig.= 0.000
A     32 GLY CA  . - A     33 GLN O   . mod.= 4.659 id.= 4.655 dev= -0.005 sig.= 0.000
A     32 GLY C   . - A     33 GLN C   . mod.= 3.416 id.= 3.435 dev=  0.019 sig.= 0.000
A     32 GLY C   . - A     33 GLN O   . mod.= 3.709 id.= 3.703 dev= -0.006 sig.= 0.000
A     32 GLY C   . - A     34 GLU CA  . mod.= 5.674 id.= 5.666 dev= -0.008 sig.= 0.000
A     32 GLY O   . - A     33 GLN CA  . mod.= 2.699 id.= 2.687 dev= -0.012 sig.= 0.000
A     32 GLY O   . - A     33 GLN C   . mod.= 3.687 id.= 3.738 dev=  0.051 sig.= 0.000
A     32 GLY O   . - A     34 GLU CA  . mod.= 5.732 id.= 5.728 dev= -0.004 sig.= 0.000
A     33 GLN N   . - A     34 GLU N   . mod.= 3.630 id.= 3.641 dev=  0.010 sig.= 0.000
A     33 GLN N   . - A     98 ARG N   . mod.= 5.317 id.= 5.320 dev=  0.002 sig.= 0.000
A     33 GLN CA  . - A     34 GLU CA  . mod.= 3.756 id.= 3.763 dev=  0.007 sig.= 0.000
A     33 GLN CA  . - A     34 GLU C   . mod.= 4.838 id.= 4.843 dev=  0.006 sig.= 0.000
A     33 GLN CA  . - A     34 GLU O   . mod.= 5.041 id.= 5.045 dev=  0.004 sig.= 0.000
A     33 GLN CA  . - A     35 ILE N   . mod.= 5.874 id.= 5.882 dev=  0.009 sig.= 0.000
A     33 GLN CA  . - A     97 THR CA  . mod.= 5.726 id.= 5.731 dev=  0.005 sig.= 0.000
A     33 GLN CA  . - A     98 ARG N   . mod.= 5.329 id.= 5.336 dev=  0.006 sig.= 0.000
A     33 GLN C   . - A     35 ILE N   . mod.= 4.550 id.= 4.542 dev= -0.007 sig.= 0.000
A     33 GLN C   . - A     97 THR CA  . mod.= 5.113 id.= 5.019 dev= -0.094 sig.= 0.000
A     33 GLN C   . - A     97 THR C   . mod.= 5.155 id.= 5.090 dev= -0.065 sig.= 0.000
A     33 GLN C   . - A     98 ARG N   . mod.= 4.246 id.= 4.205 dev= -0.041 sig.= 0.000
A     33 GLN C   . - A     98 ARG CA  . mod.= 4.857 id.= 4.852 dev= -0.005 sig.= 0.000
A     33 GLN C   . - A     98 ARG C   . mod.= 5.029 id.= 5.031 dev=  0.003 sig.= 0.000
A     33 GLN C   . - A     98 ARG O   . mod.= 4.561 id.= 4.552 dev= -0.009 sig.= 0.000
A     33 GLN C   . - A    129 GLU N   . mod.= 5.943 id.= 5.955 dev=  0.012 sig.= 0.000
A     33 GLN O   . - A     34 GLU C   . mod.= 4.045 id.= 4.041 dev= -0.003 sig.= 0.000
A     33 GLN O   . - A     34 GLU O   . mod.= 4.815 id.= 4.809 dev= -0.006 sig.= 0.000
A     33 GLN O   . - A     97 THR CA  . mod.= 4.171 id.= 4.167 dev= -0.005 sig.= 0.000
A     33 GLN O   . - A     98 ARG CA  . mod.= 3.738 id.= 3.742 dev=  0.004 sig.= 0.000
A     33 GLN O   . - A     98 ARG C   . mod.= 4.157 id.= 4.162 dev=  0.006 sig.= 0.000
A     33 GLN O   . - A     98 ARG O   . mod.= 3.892 id.= 3.898 dev=  0.007 sig.= 0.000
A     33 GLN O   . - A     99 ILE N   . mod.= 5.306 id.= 5.312 dev=  0.006 sig.= 0.000
A     34 GLU N   . - A     34 GLU O   . mod.= 2.852 id.= 2.845 dev= -0.007 sig.= 0.000
A     34 GLU N   . - A     35 ILE N   . mod.= 3.604 id.= 3.597 dev= -0.007 sig.= 0.000
A     34 GLU N   . - A     35 ILE CA  . mod.= 4.867 id.= 4.875 dev=  0.008 sig.= 0.000
A     34 GLU N   . - A     35 ILE C   . mod.= 5.769 id.= 5.763 dev= -0.006 sig.= 0.000
A     34 GLU N   . - A     97 THR CA  . mod.= 5.761 id.= 5.764 dev=  0.003 sig.= 0.000
A     34 GLU N   . - A     98 ARG N   . mod.= 4.825 id.= 4.822 dev= -0.003 sig.= 0.000
A     34 GLU N   . - A     98 ARG CA  . mod.= 5.263 id.= 5.257 dev= -0.006 sig.= 0.000
A     34 GLU N   . - A     98 ARG C   . mod.= 5.050 id.= 5.044 dev= -0.006 sig.= 0.000
A     34 GLU N   . - A     98 ARG O   . mod.= 4.367 id.= 4.365 dev= -0.002 sig.= 0.000
A     34 GLU N   . - A    127 GLY O   . mod.= 5.782 id.= 5.779 dev= -0.003 sig.= 0.000
A     34 GLU N   . - A    128 ALA CA  . mod.= 5.475 id.= 5.471 dev= -0.003 sig.= 0.000
A     34 GLU N   . - A    128 ALA C   . mod.= 5.716 id.= 5.713 dev= -0.003 sig.= 0.000
A     34 GLU N   . - A    129 GLU N   . mod.= 4.829 id.= 4.820 dev= -0.008 sig.= 0.000
A     34 GLU N   . - A    129 GLU CA  . mod.= 5.474 id.= 5.468 dev= -0.006 sig.= 0.000
A     34 GLU N   . - A    130 VAL N   . mod.= 5.788 id.= 5.785 dev= -0.003 sig.= 0.000
A     34 GLU CA  . - A     35 ILE CA  . mod.= 3.734 id.= 3.753 dev=  0.019 sig.= 0.000
A     34 GLU CA  . - A     35 ILE C   . mod.= 4.478 id.= 4.483 dev=  0.005 sig.= 0.000
A     34 GLU CA  . - A     35 ILE O   . mod.= 4.815 id.= 4.822 dev=  0.006 sig.= 0.000
A     34 GLU CA  . - A     98 ARG N   . mod.= 4.417 id.= 4.415 dev= -0.002 sig.= 0.000
A     34 GLU CA  . - A     98 ARG CA  . mod.= 4.554 id.= 4.550 dev= -0.003 sig.= 0.000
A     34 GLU CA  . - A     98 ARG O   . mod.= 3.224 id.= 3.229 dev=  0.005 sig.= 0.000
A     34 GLU CA  . - A     99 ILE CA  . mod.= 5.168 id.= 5.171 dev=  0.003 sig.= 0.000
A     34 GLU CA  . - A    129 GLU N   . mod.= 5.184 id.= 5.179 dev= -0.005 sig.= 0.000
A     34 GLU CA  . - A    129 GLU CA  . mod.= 5.985 id.= 5.979 dev= -0.006 sig.= 0.000
A     34 GLU C   . - A     35 ILE C   . mod.= 3.337 id.= 3.340 dev=  0.003 sig.= 0.000
A     34 GLU C   . - A     35 ILE O   . mod.= 3.977 id.= 3.981 dev=  0.004 sig.= 0.000
A     34 GLU C   . - A     36 ALA CA  . mod.= 5.256 id.= 5.251 dev= -0.006 sig.= 0.000
A     34 GLU C   . - A     98 ARG CA  . mod.= 5.467 id.= 5.464 dev= -0.003 sig.= 0.000
A     34 GLU C   . - A     98 ARG O   . mod.= 3.554 id.= 3.558 dev=  0.004 sig.= 0.000
A     34 GLU C   . - A     99 ILE C   . mod.= 5.600 id.= 5.596 dev= -0.004 sig.= 0.000
A     34 GLU C   . - A    100 LEU N   . mod.= 5.132 id.= 5.126 dev= -0.006 sig.= 0.000
A     34 GLU C   . - A    128 ALA CA  . mod.= 4.935 id.= 4.930 dev= -0.004 sig.= 0.000
A     34 GLU C   . - A    128 ALA C   . mod.= 5.172 id.= 5.169 dev= -0.003 sig.= 0.000
A     34 GLU C   . - A    129 GLU N   . mod.= 4.562 id.= 4.555 dev= -0.006 sig.= 0.000
A     34 GLU C   . - A    129 GLU CA  . mod.= 5.301 id.= 5.297 dev= -0.004 sig.= 0.000
A     34 GLU C   . - A    129 GLU C   . mod.= 5.466 id.= 5.463 dev= -0.002 sig.= 0.000
A     34 GLU C   . - A    130 VAL C   . mod.= 5.226 id.= 5.229 dev=  0.003 sig.= 0.000
A     34 GLU C   . - A    130 VAL O   . mod.= 4.346 id.= 4.348 dev=  0.002 sig.= 0.000
A     34 GLU O   . - A     35 ILE CA  . mod.= 2.781 id.= 2.795 dev=  0.015 sig.= 0.000
A     34 GLU O   . - A     35 ILE O   . mod.= 4.647 id.= 4.649 dev=  0.002 sig.= 0.000
A     34 GLU O   . - A     36 ALA CA  . mod.= 5.329 id.= 5.324 dev= -0.004 sig.= 0.000
A     34 GLU O   . - A     98 ARG C   . mod.= 5.817 id.= 5.814 dev= -0.003 sig.= 0.000
A     34 GLU O   . - A    127 GLY O   . mod.= 5.608 id.= 5.612 dev=  0.004 sig.= 0.000
A     34 GLU O   . - A    128 ALA N   . mod.= 5.426 id.= 5.422 dev= -0.004 sig.= 0.000
A     34 GLU O   . - A    128 ALA CA  . mod.= 4.037 id.= 4.043 dev=  0.006 sig.= 0.000
A     34 GLU O   . - A    128 ALA C   . mod.= 4.042 id.= 4.047 dev=  0.005 sig.= 0.000
A     34 GLU O   . - A    128 ALA O   . mod.= 5.096 id.= 5.100 dev=  0.004 sig.= 0.000
A     34 GLU O   . - A    129 GLU C   . mod.= 4.263 id.= 4.261 dev= -0.003 sig.= 0.000
A     34 GLU O   . - A    129 GLU O   . mod.= 5.455 id.= 5.451 dev= -0.004 sig.= 0.000
A     34 GLU O   . - A    130 VAL N   . mod.= 3.422 id.= 3.419 dev= -0.004 sig.= 0.000
A     34 GLU O   . - A    130 VAL CA  . mod.= 4.253 id.= 4.247 dev= -0.006 sig.= 0.000
A     34 GLU O   . - A    131 ILE N   . mod.= 5.695 id.= 5.689 dev= -0.006 sig.= 0.000
A     35 ILE N   . - A     36 ALA N   . mod.= 3.363 id.= 3.360 dev= -0.003 sig.= 0.000
A     35 ILE N   . - A     36 ALA CA  . mod.= 4.626 id.= 4.623 dev= -0.004 sig.= 0.000
A     35 ILE N   . - A     98 ARG CA  . mod.= 5.146 id.= 5.144 dev= -0.002 sig.= 0.000
A     35 ILE N   . - A     99 ILE N   . mod.= 4.624 id.= 4.622 dev= -0.002 sig.= 0.000
A     35 ILE N   . - A     99 ILE C   . mod.= 4.852 id.= 4.848 dev= -0.004 sig.= 0.000
A     35 ILE N   . - A     99 ILE O   . mod.= 5.952 id.= 5.948 dev= -0.005 sig.= 0.000
A     35 ILE N   . - A    100 LEU N   . mod.= 4.428 id.= 4.421 dev= -0.007 sig.= 0.000
A     35 ILE N   . - A    100 LEU CA  . mod.= 5.515 id.= 5.493 dev= -0.022 sig.= 0.000
A     35 ILE N   . - A    129 GLU N   . mod.= 5.617 id.= 5.614 dev= -0.003 sig.= 0.000
A     35 ILE N   . - A    130 VAL N   . mod.= 5.131 id.= 5.129 dev= -0.003 sig.= 0.000
A     35 ILE N   . - A    130 VAL CA  . mod.= 5.453 id.= 5.448 dev= -0.004 sig.= 0.000
A     35 ILE CA  . - A     36 ALA CA  . mod.= 3.807 id.= 3.813 dev=  0.006 sig.= 0.000
A     35 ILE CA  . - A     36 ALA C   . mod.= 4.443 id.= 4.446 dev=  0.003 sig.= 0.000
A     35 ILE CA  . - A     98 ARG C   . mod.= 5.056 id.= 5.059 dev=  0.003 sig.= 0.000
A     35 ILE CA  . - A     99 ILE N   . mod.= 5.490 id.= 5.493 dev=  0.003 sig.= 0.000
A     35 ILE CA  . - A     99 ILE CA  . mod.= 4.884 id.= 4.886 dev=  0.003 sig.= 0.000
A     35 ILE CA  . - A     99 ILE C   . mod.= 5.388 id.= 5.392 dev=  0.004 sig.= 0.000
A     35 ILE CA  . - A    100 LEU N   . mod.= 4.778 id.= 4.783 dev=  0.005 sig.= 0.000
A     35 ILE CA  . - A    100 LEU CA  . mod.= 5.796 id.= 5.793 dev= -0.003 sig.= 0.000
A     35 ILE CA  . - A    129 GLU N   . mod.= 5.790 id.= 5.805 dev=  0.014 sig.= 0.000
A     35 ILE CA  . - A    129 GLU C   . mod.= 5.952 id.= 5.957 dev=  0.005 sig.= 0.000
A     35 ILE CA  . - A    130 VAL N   . mod.= 4.707 id.= 4.710 dev=  0.002 sig.= 0.000
A     35 ILE CA  . - A    130 VAL CA  . mod.= 4.664 id.= 4.660 dev= -0.005 sig.= 0.000
A     35 ILE CA  . - A    130 VAL C   . mod.= 4.212 id.= 4.215 dev=  0.003 sig.= 0.000
A     35 ILE CA  . - A    130 VAL O   . mod.= 3.280 id.= 3.287 dev=  0.008 sig.= 0.000
A     35 ILE CA  . - A    131 ILE N   . mod.= 5.273 id.= 5.266 dev= -0.007 sig.= 0.000
A     35 ILE CA  . - A    131 ILE CA  . mod.= 5.550 id.= 5.582 dev=  0.032 sig.= 0.000
A     35 ILE CA  . - A    132 ASN N   . mod.= 5.987 id.= 5.989 dev=  0.002 sig.= 0.000
A     35 ILE C   . - A     98 ARG C   . mod.= 5.282 id.= 5.284 dev=  0.002 sig.= 0.000
A     35 ILE C   . - A     99 ILE N   . mod.= 5.349 id.= 5.351 dev=  0.002 sig.= 0.000
A     35 ILE C   . - A     99 ILE CA  . mod.= 4.417 id.= 4.420 dev=  0.003 sig.= 0.000
A     35 ILE C   . - A    100 LEU CA  . mod.= 4.620 id.= 4.612 dev= -0.008 sig.= 0.000
A     35 ILE C   . - A    100 LEU C   . mod.= 4.975 id.= 4.973 dev= -0.003 sig.= 0.000
A     35 ILE C   . - A    100 LEU O   . mod.= 4.441 id.= 4.437 dev= -0.004 sig.= 0.000
A     35 ILE C   . - A    130 VAL N   . mod.= 5.600 id.= 5.590 dev= -0.009 sig.= 0.000
A     35 ILE C   . - A    130 VAL CA  . mod.= 5.484 id.= 5.474 dev= -0.010 sig.= 0.000
A     35 ILE C   . - A    130 VAL O   . mod.= 3.528 id.= 3.522 dev= -0.006 sig.= 0.000
A     35 ILE C   . - A    131 ILE N   . mod.= 5.466 id.= 5.463 dev= -0.003 sig.= 0.000
A     35 ILE C   . - A    131 ILE CA  . mod.= 5.360 id.= 5.382 dev=  0.022 sig.= 0.000
A     35 ILE C   . - A    131 ILE C   . mod.= 5.981 id.= 5.988 dev=  0.007 sig.= 0.000
A     35 ILE C   . - A    132 ASN N   . mod.= 5.585 id.= 5.588 dev=  0.003 sig.= 0.000
A     35 ILE O   . - A     36 ALA CA  . mod.= 2.776 id.= 2.782 dev=  0.006 sig.= 0.000
A     35 ILE O   . - A     36 ALA C   . mod.= 3.266 id.= 3.272 dev=  0.005 sig.= 0.000
A     35 ILE O   . - A     36 ALA O   . mod.= 4.058 id.= 4.061 dev=  0.004 sig.= 0.000
A     35 ILE O   . - A     37 VAL C   . mod.= 5.727 id.= 5.724 dev= -0.003 sig.= 0.000
A     35 ILE O   . - A    100 LEU N   . mod.= 2.818 id.= 2.815 dev= -0.002 sig.= 0.000
A     35 ILE O   . - A    130 VAL C   . mod.= 5.863 id.= 5.867 dev=  0.004 sig.= 0.000
A     35 ILE O   . - A    130 VAL O   . mod.= 4.771 id.= 4.767 dev= -0.003 sig.= 0.000
A     36 ALA N   . - A     37 VAL CA  . mod.= 4.669 id.= 4.666 dev= -0.003 sig.= 0.000
A     36 ALA N   . - A     37 VAL C   . mod.= 5.652 id.= 5.649 dev= -0.003 sig.= 0.000
A     36 ALA N   . - A    100 LEU CA  . mod.= 4.870 id.= 4.859 dev= -0.011 sig.= 0.000
A     36 ALA N   . - A    100 LEU C   . mod.= 5.062 id.= 5.059 dev= -0.003 sig.= 0.000
A     36 ALA N   . - A    100 LEU O   . mod.= 4.335 id.= 4.330 dev= -0.005 sig.= 0.000
A     36 ALA N   . - A    128 ALA C   . mod.= 5.912 id.= 5.910 dev= -0.003 sig.= 0.000
A     36 ALA N   . - A    130 VAL N   . mod.= 5.262 id.= 5.248 dev= -0.014 sig.= 0.000
A     36 ALA N   . - A    130 VAL CA  . mod.= 5.086 id.= 5.074 dev= -0.012 sig.= 0.000
A     36 ALA N   . - A    130 VAL C   . mod.= 3.965 id.= 3.968 dev=  0.003 sig.= 0.000
A     36 ALA N   . - A    130 VAL O   . mod.= 2.820 id.= 2.808 dev= -0.012 sig.= 0.000
A     36 ALA N   . - A    131 ILE CA  . mod.= 4.361 id.= 4.374 dev=  0.013 sig.= 0.000
A     36 ALA N   . - A    132 ASN N   . mod.= 4.847 id.= 4.845 dev= -0.002 sig.= 0.000
A     36 ALA CA  . - A     38 ILE N   . mod.= 4.918 id.= 4.923 dev=  0.005 sig.= 0.000
A     36 ALA CA  . - A     38 ILE CA  . mod.= 5.985 id.= 5.989 dev=  0.003 sig.= 0.000
A     36 ALA CA  . - A     99 ILE CA  . mod.= 5.820 id.= 5.824 dev=  0.004 sig.= 0.000
A     36 ALA CA  . - A    100 LEU CA  . mod.= 4.379 id.= 4.372 dev= -0.007 sig.= 0.000
A     36 ALA CA  . - A    100 LEU O   . mod.= 3.279 id.= 3.276 dev= -0.003 sig.= 0.000
A     36 ALA CA  . - A    101 ALA CA  . mod.= 5.947 id.= 5.943 dev= -0.003 sig.= 0.000
A     36 ALA CA  . - A    102 VAL N   . mod.= 5.873 id.= 5.869 dev= -0.004 sig.= 0.000
A     36 ALA CA  . - A    130 VAL O   . mod.= 3.886 id.= 3.869 dev= -0.017 sig.= 0.000
A     36 ALA CA  . - A    131 ILE N   . mod.= 5.334 id.= 5.339 dev=  0.005 sig.= 0.000
A     36 ALA CA  . - A    131 ILE C   . mod.= 5.385 id.= 5.382 dev= -0.003 sig.= 0.000
A     36 ALA CA  . - A    132 ASN N   . mod.= 4.904 id.= 4.899 dev= -0.005 sig.= 0.000
A     36 ALA C   . - A    100 LEU O   . mod.= 3.563 id.= 3.560 dev= -0.003 sig.= 0.000
A     36 ALA C   . - A    101 ALA N   . mod.= 5.762 id.= 5.765 dev=  0.003 sig.= 0.000
A     36 ALA C   . - A    102 VAL N   . mod.= 5.648 id.= 5.643 dev= -0.004 sig.= 0.000
A     36 ALA C   . - A    130 VAL O   . mod.= 4.490 id.= 4.476 dev= -0.014 sig.= 0.000
A     36 ALA C   . - A    131 ILE N   . mod.= 5.466 id.= 5.469 dev=  0.003 sig.= 0.000
A     36 ALA C   . - A    131 ILE CA  . mod.= 4.569 id.= 4.576 dev=  0.007 sig.= 0.000
A     36 ALA C   . - A    132 ASN N   . mod.= 4.036 id.= 4.032 dev= -0.004 sig.= 0.000
A     36 ALA C   . - A    132 ASN CA  . mod.= 4.895 id.= 4.892 dev= -0.004 sig.= 0.000
A     36 ALA O   . - A     38 ILE N   . mod.= 3.584 id.= 3.588 dev=  0.004 sig.= 0.000
A     36 ALA O   . - A     38 ILE CA  . mod.= 4.830 id.= 4.833 dev=  0.003 sig.= 0.000
A     36 ALA O   . - A     38 ILE C   . mod.= 5.869 id.= 5.873 dev=  0.003 sig.= 0.000
A     36 ALA O   . - A    100 LEU O   . mod.= 4.776 id.= 4.774 dev= -0.002 sig.= 0.000
A     36 ALA O   . - A    130 VAL O   . mod.= 4.153 id.= 4.141 dev= -0.011 sig.= 0.000
A     36 ALA O   . - A    131 ILE N   . mod.= 4.666 id.= 4.669 dev=  0.003 sig.= 0.000
A     36 ALA O   . - A    131 ILE CA  . mod.= 3.652 id.= 3.664 dev=  0.012 sig.= 0.000
A     36 ALA O   . - A    132 ASN N   . mod.= 2.817 id.= 2.813 dev= -0.004 sig.= 0.000
A     36 ALA O   . - A    132 ASN CA  . mod.= 3.702 id.= 3.697 dev= -0.005 sig.= 0.000
A     36 ALA O   . - A    133 LEU N   . mod.= 5.328 id.= 5.330 dev=  0.003 sig.= 0.000
A     37 VAL N   . - A     37 VAL O   . mod.= 2.985 id.= 2.982 dev= -0.003 sig.= 0.000
A     37 VAL N   . - A     38 ILE CA  . mod.= 4.494 id.= 4.497 dev=  0.003 sig.= 0.000
A     37 VAL N   . - A     39 ASP N   . mod.= 5.985 id.= 5.982 dev= -0.002 sig.= 0.000
A     37 VAL N   . - A    100 LEU N   . mod.= 4.715 id.= 4.711 dev= -0.004 sig.= 0.000
A     37 VAL N   . - A    100 LEU CA  . mod.= 4.903 id.= 4.912 dev=  0.009 sig.= 0.000
A     37 VAL N   . - A    101 ALA N   . mod.= 4.932 id.= 4.937 dev=  0.005 sig.= 0.000
A     37 VAL N   . - A    101 ALA CA  . mod.= 4.888 id.= 4.890 dev=  0.002 sig.= 0.000
A     37 VAL N   . - A    130 VAL O   . mod.= 5.724 id.= 5.715 dev= -0.009 sig.= 0.000
A     37 VAL N   . - A    131 ILE CA  . mod.= 5.822 id.= 5.837 dev=  0.015 sig.= 0.000
A     37 VAL N   . - A    131 ILE C   . mod.= 5.927 id.= 5.932 dev=  0.005 sig.= 0.000
A     37 VAL N   . - A    132 ASN C   . mod.= 5.565 id.= 5.569 dev=  0.005 sig.= 0.000
A     37 VAL N   . - A    132 ASN O   . mod.= 4.697 id.= 4.701 dev=  0.005 sig.= 0.000
A     37 VAL CA  . - A     38 ILE CA  . mod.= 3.844 id.= 3.840 dev= -0.004 sig.= 0.000
A     37 VAL CA  . - A     38 ILE C   . mod.= 4.499 id.= 4.495 dev= -0.003 sig.= 0.000
A     37 VAL CA  . - A     38 ILE O   . mod.= 4.945 id.= 4.942 dev= -0.003 sig.= 0.000
A     37 VAL CA  . - A     39 ASP N   . mod.= 4.966 id.= 4.960 dev= -0.006 sig.= 0.000
A     37 VAL CA  . - A     39 ASP CA  . mod.= 5.862 id.= 5.855 dev= -0.007 sig.= 0.000
A     37 VAL CA  . - A    100 LEU N   . mod.= 5.871 id.= 5.867 dev= -0.004 sig.= 0.000
A     37 VAL CA  . - A    101 ALA N   . mod.= 5.679 id.= 5.686 dev=  0.007 sig.= 0.000
A     37 VAL CA  . - A    101 ALA CA  . mod.= 5.294 id.= 5.301 dev=  0.007 sig.= 0.000
A     37 VAL CA  . - A    101 ALA C   . mod.= 5.717 id.= 5.720 dev=  0.003 sig.= 0.000
A     37 VAL CA  . - A    102 VAL CA  . mod.= 5.960 id.= 5.956 dev= -0.005 sig.= 0.000
A     37 VAL CA  . - A    102 VAL O   . mod.= 5.404 id.= 5.399 dev= -0.005 sig.= 0.000
A     37 VAL CA  . - A    132 ASN C   . mod.= 4.961 id.= 4.968 dev=  0.007 sig.= 0.000
A     37 VAL CA  . - A    132 ASN O   . mod.= 3.996 id.= 4.002 dev=  0.006 sig.= 0.000
A     37 VAL C   . - A     38 ILE C   . mod.= 3.207 id.= 3.210 dev=  0.002 sig.= 0.000
A     37 VAL C   . - A     38 ILE O   . mod.= 3.915 id.= 3.919 dev=  0.003 sig.= 0.000
A     37 VAL C   . - A    100 LEU O   . mod.= 4.183 id.= 4.181 dev= -0.002 sig.= 0.000
A     37 VAL C   . - A    101 ALA N   . mod.= 5.727 id.= 5.731 dev=  0.004 sig.= 0.000
A     37 VAL C   . - A    101 ALA CA  . mod.= 5.046 id.= 5.051 dev=  0.004 sig.= 0.000
A     37 VAL C   . - A    101 ALA C   . mod.= 5.094 id.= 5.097 dev=  0.003 sig.= 0.000
A     37 VAL C   . - A    102 VAL CA  . mod.= 4.834 id.= 4.831 dev= -0.002 sig.= 0.000
A     37 VAL C   . - A    102 VAL C   . mod.= 4.808 id.= 4.806 dev= -0.002 sig.= 0.000
A     37 VAL C   . - A    132 ASN N   . mod.= 5.635 id.= 5.632 dev= -0.003 sig.= 0.000
A     37 VAL C   . - A    132 ASN CA  . mod.= 5.773 id.= 5.771 dev= -0.002 sig.= 0.000
A     37 VAL C   . - A    132 ASN C   . mod.= 5.179 id.= 5.182 dev=  0.003 sig.= 0.000
A     37 VAL C   . - A    132 ASN O   . mod.= 4.014 id.= 4.017 dev=  0.003 sig.= 0.000
A     37 VAL O   . - A     38 ILE CA  . mod.= 2.865 id.= 2.867 dev=  0.002 sig.= 0.000
A     37 VAL O   . - A     38 ILE C   . mod.= 3.502 id.= 3.505 dev=  0.003 sig.= 0.000
A     37 VAL O   . - A     38 ILE O   . mod.= 4.457 id.= 4.461 dev=  0.004 sig.= 0.000
A     37 VAL O   . - A     39 ASP CA  . mod.= 4.532 id.= 4.530 dev= -0.003 sig.= 0.000
A     37 VAL O   . - A     39 ASP C   . mod.= 5.280 id.= 5.277 dev= -0.003 sig.= 0.000
A     37 VAL O   . - A     39 ASP O   . mod.= 5.416 id.= 5.413 dev= -0.003 sig.= 0.000
A     37 VAL O   . - A     41 GLY CA  . mod.= 5.952 id.= 5.955 dev=  0.003 sig.= 0.000
A     37 VAL O   . - A     41 GLY C   . mod.= 5.841 id.= 5.847 dev=  0.006 sig.= 0.000
A     37 VAL O   . - A     41 GLY O   . mod.= 5.781 id.= 5.786 dev=  0.005 sig.= 0.000
A     37 VAL O   . - A    100 LEU C   . mod.= 4.807 id.= 4.804 dev= -0.003 sig.= 0.000
A     37 VAL O   . - A    100 LEU O   . mod.= 3.826 id.= 3.822 dev= -0.003 sig.= 0.000
A     37 VAL O   . - A    101 ALA CA  . mod.= 4.076 id.= 4.079 dev=  0.003 sig.= 0.000
A     37 VAL O   . - A    101 ALA C   . mod.= 4.032 id.= 4.035 dev=  0.002 sig.= 0.000
A     37 VAL O   . - A    102 VAL C   . mod.= 3.823 id.= 3.821 dev= -0.002 sig.= 0.000
A     37 VAL O   . - A    132 ASN O   . mod.= 5.202 id.= 5.205 dev=  0.003 sig.= 0.000
A     38 ILE N   . - A     38 ILE O   . mod.= 2.933 id.= 2.936 dev=  0.003 sig.= 0.000
A     38 ILE N   . - A     39 ASP CA  . mod.= 4.382 id.= 4.379 dev= -0.003 sig.= 0.000
A     38 ILE N   . - A     39 ASP C   . mod.= 5.590 id.= 5.587 dev= -0.004 sig.= 0.000
A     38 ILE N   . - A     39 ASP O   . mod.= 5.831 id.= 5.829 dev= -0.003 sig.= 0.000
A     38 ILE N   . - A    100 LEU O   . mod.= 5.202 id.= 5.200 dev= -0.002 sig.= 0.000
A     38 ILE N   . - A    132 ASN CA  . mod.= 5.149 id.= 5.145 dev= -0.004 sig.= 0.000
A     38 ILE N   . - A    132 ASN C   . mod.= 4.296 id.= 4.293 dev= -0.003 sig.= 0.000
A     38 ILE N   . - A    133 LEU N   . mod.= 5.227 id.= 5.230 dev=  0.003 sig.= 0.000
A     38 ILE N   . - A    133 LEU CA  . mod.= 5.288 id.= 5.293 dev=  0.005 sig.= 0.000
A     38 ILE N   . - A    134 SER N   . mod.= 5.965 id.= 5.962 dev= -0.003 sig.= 0.000
A     38 ILE CA  . - A     39 ASP CA  . mod.= 3.754 id.= 3.760 dev=  0.006 sig.= 0.000
A     38 ILE CA  . - A     39 ASP C   . mod.= 4.833 id.= 4.837 dev=  0.004 sig.= 0.000
A     38 ILE CA  . - A     39 ASP O   . mod.= 4.869 id.= 4.872 dev=  0.003 sig.= 0.000
A     38 ILE CA  . - A    102 VAL CA  . mod.= 4.856 id.= 4.852 dev= -0.004 sig.= 0.000
A     38 ILE CA  . - A    102 VAL C   . mod.= 4.369 id.= 4.366 dev= -0.003 sig.= 0.000
A     38 ILE CA  . - A    103 ARG N   . mod.= 5.492 id.= 5.490 dev= -0.003 sig.= 0.000
A     38 ILE CA  . - A    103 ARG CA  . mod.= 5.773 id.= 5.771 dev= -0.002 sig.= 0.000
A     38 ILE CA  . - A    103 ARG C   . mod.= 5.925 id.= 5.921 dev= -0.003 sig.= 0.000
A     38 ILE CA  . - A    132 ASN C   . mod.= 5.004 id.= 4.993 dev= -0.012 sig.= 0.000
A     38 ILE CA  . - A    132 ASN O   . mod.= 3.812 id.= 3.802 dev= -0.010 sig.= 0.000
A     38 ILE CA  . - A    133 LEU N   . mod.= 5.676 id.= 5.671 dev= -0.005 sig.= 0.000
A     38 ILE CA  . - A    133 LEU CA  . mod.= 5.371 id.= 5.368 dev= -0.003 sig.= 0.000
A     38 ILE CA  . - A    134 SER N   . mod.= 5.859 id.= 5.854 dev= -0.005 sig.= 0.000
A     38 ILE C   . - A     39 ASP C   . mod.= 3.680 id.= 3.685 dev=  0.006 sig.= 0.000
A     38 ILE C   . - A     39 ASP O   . mod.= 3.959 id.= 3.962 dev=  0.003 sig.= 0.000
A     38 ILE C   . - A     40 THR N   . mod.= 4.795 id.= 4.799 dev=  0.004 sig.= 0.000
A     38 ILE C   . - A    103 ARG C   . mod.= 5.842 id.= 5.839 dev= -0.003 sig.= 0.000
A     38 ILE C   . - A    104 ALA N   . mod.= 5.085 id.= 5.081 dev= -0.004 sig.= 0.000
A     38 ILE C   . - A    104 ALA CA  . mod.= 5.700 id.= 5.692 dev= -0.008 sig.= 0.000
A     38 ILE C   . - A    132 ASN C   . mod.= 5.251 id.= 5.247 dev= -0.004 sig.= 0.000
A     38 ILE C   . - A    132 ASN O   . mod.= 4.122 id.= 4.119 dev= -0.003 sig.= 0.000
A     38 ILE C   . - A    133 LEU CA  . mod.= 5.143 id.= 5.147 dev=  0.003 sig.= 0.000
A     38 ILE C   . - A    133 LEU C   . mod.= 5.616 id.= 5.619 dev=  0.002 sig.= 0.000
A     38 ILE C   . - A    134 SER CA  . mod.= 5.971 id.= 5.966 dev= -0.006 sig.= 0.000
A     38 ILE O   . - A     39 ASP CA  . mod.= 2.750 id.= 2.757 dev=  0.007 sig.= 0.000
A     38 ILE O   . - A     39 ASP C   . mod.= 4.187 id.= 4.192 dev=  0.005 sig.= 0.000
A     38 ILE O   . - A     39 ASP O   . mod.= 4.664 id.= 4.667 dev=  0.003 sig.= 0.000
A     38 ILE O   . - A     40 THR N   . mod.= 5.175 id.= 5.179 dev=  0.004 sig.= 0.000
A     38 ILE O   . - A    102 VAL O   . mod.= 4.892 id.= 4.894 dev=  0.002 sig.= 0.000
A     38 ILE O   . - A    133 LEU N   . mod.= 4.829 id.= 4.834 dev=  0.005 sig.= 0.000
A     38 ILE O   . - A    133 LEU CA  . mod.= 4.135 id.= 4.144 dev=  0.008 sig.= 0.000
A     38 ILE O   . - A    133 LEU C   . mod.= 4.449 id.= 4.452 dev=  0.002 sig.= 0.000
A     38 ILE O   . - A    134 SER N   . mod.= 3.776 id.= 3.772 dev= -0.003 sig.= 0.000
A     38 ILE O   . - A    134 SER CA  . mod.= 4.764 id.= 4.754 dev= -0.010 sig.= 0.000
A     38 ILE O   . - A    134 SER O   . mod.= 5.294 id.= 5.298 dev=  0.005 sig.= 0.000
A     39 ASP N   . - A     40 THR N   . mod.= 3.602 id.= 3.596 dev= -0.006 sig.= 0.000
A     39 ASP N   . - A     41 GLY O   . mod.= 5.825 id.= 5.829 dev=  0.003 sig.= 0.000
A     39 ASP N   . - A    105 LEU CA  . mod.= 5.725 id.= 5.723 dev= -0.002 sig.= 0.000
A     39 ASP N   . - A    132 ASN O   . mod.= 5.333 id.= 5.336 dev=  0.003 sig.= 0.000
A     39 ASP N   . - A    134 SER N   . mod.= 5.874 id.= 5.880 dev=  0.006 sig.= 0.000
A     39 ASP CA  . - A     40 THR CA  . mod.= 3.843 id.= 3.846 dev=  0.003 sig.= 0.000
A     39 ASP CA  . - A     40 THR C   . mod.= 4.636 id.= 4.638 dev=  0.002 sig.= 0.000
A     39 ASP CA  . - A     40 THR O   . mod.= 5.847 id.= 5.849 dev=  0.002 sig.= 0.000
A     39 ASP CA  . - A     41 GLY N   . mod.= 4.291 id.= 4.293 dev=  0.003 sig.= 0.000
A     39 ASP CA  . - A     41 GLY CA  . mod.= 5.484 id.= 5.486 dev=  0.002 sig.= 0.000
A     39 ASP CA  . - A     41 GLY C   . mod.= 5.845 id.= 5.849 dev=  0.003 sig.= 0.000
A     39 ASP CA  . - A     41 GLY O   . mod.= 5.364 id.= 5.368 dev=  0.004 sig.= 0.000
A     39 ASP CA  . - A     73 GLY N   . mod.= 5.606 id.= 5.609 dev=  0.003 sig.= 0.000
A     39 ASP CA  . - A    134 SER N   . mod.= 5.740 id.= 5.758 dev=  0.018 sig.= 0.000
A     39 ASP C   . - A     40 THR C   . mod.= 3.298 id.= 3.300 dev=  0.002 sig.= 0.000
A     39 ASP C   . - A     40 THR O   . mod.= 4.464 id.= 4.466 dev=  0.002 sig.= 0.000
A     39 ASP C   . - A     41 GLY N   . mod.= 3.201 id.= 3.203 dev=  0.003 sig.= 0.000
A     39 ASP C   . - A     41 GLY C   . mod.= 5.186 id.= 5.188 dev=  0.002 sig.= 0.000
A     39 ASP C   . - A     41 GLY O   . mod.= 4.870 id.= 4.873 dev=  0.002 sig.= 0.000
A     39 ASP C   . - A    104 ALA O   . mod.= 5.778 id.= 5.775 dev= -0.003 sig.= 0.000
A     39 ASP C   . - A    105 LEU CA  . mod.= 4.167 id.= 4.165 dev= -0.002 sig.= 0.000
A     40 THR N   . - A     40 THR O   . mod.= 3.655 id.= 3.657 dev=  0.003 sig.= 0.000
A     40 THR N   . - A     73 GLY CA  . mod.= 4.337 id.= 4.333 dev= -0.004 sig.= 0.000
A     40 THR N   . - A     73 GLY C   . mod.= 5.686 id.= 5.682 dev= -0.004 sig.= 0.000
A     40 THR N   . - A    102 VAL O   . mod.= 5.254 id.= 5.248 dev= -0.006 sig.= 0.000
A     40 THR N   . - A    103 ARG CA  . mod.= 5.183 id.= 5.180 dev= -0.003 sig.= 0.000
A     40 THR N   . - A    103 ARG C   . mod.= 5.643 id.= 5.640 dev= -0.003 sig.= 0.000
A     40 THR N   . - A    104 ALA N   . mod.= 4.986 id.= 4.982 dev= -0.003 sig.= 0.000
A     40 THR N   . - A    104 ALA CA  . mod.= 5.916 id.= 5.913 dev= -0.003 sig.= 0.000
A     40 THR N   . - A    104 ALA C   . mod.= 5.578 id.= 5.576 dev= -0.002 sig.= 0.000
A     40 THR N   . - A    105 LEU O   . mod.= 4.272 id.= 4.275 dev=  0.002 sig.= 0.000
A     40 THR N   . - A    106 ASP O   . mod.= 5.846 id.= 5.848 dev=  0.002 sig.= 0.000
A     40 THR N   . - A    109 GLY CA  . mod.= 5.984 id.= 5.972 dev= -0.012 sig.= 0.000
A     40 THR CA  . - A     41 GLY CA  . mod.= 3.825 id.= 3.823 dev= -0.002 sig.= 0.000
A     40 THR CA  . - A     41 GLY C   . mod.= 4.583 id.= 4.581 dev= -0.002 sig.= 0.000
A     40 THR CA  . - A     42 VAL N   . mod.= 5.884 id.= 5.881 dev= -0.002 sig.= 0.000
A     40 THR CA  . - A     68 ASP CA  . mod.= 5.673 id.= 5.670 dev= -0.003 sig.= 0.000
A     40 THR CA  . - A     72 HIS C   . mod.= 5.982 id.= 5.979 dev= -0.003 sig.= 0.000
A     40 THR CA  . - A     73 GLY N   . mod.= 4.867 id.= 4.864 dev= -0.003 sig.= 0.000
A     40 THR CA  . - A     73 GLY CA  . mod.= 4.963 id.= 4.959 dev= -0.004 sig.= 0.000
A     40 THR CA  . - A    105 LEU CA  . mod.= 4.461 id.= 4.458 dev= -0.003 sig.= 0.000
A     40 THR CA  . - A    109 GLY CA  . mod.= 5.801 id.= 5.788 dev= -0.012 sig.= 0.000
A     40 THR C   . - A    105 LEU CA  . mod.= 5.585 id.= 5.580 dev= -0.005 sig.= 0.000
A     40 THR O   . - A     67 MET O   . mod.= 3.842 id.= 3.844 dev=  0.002 sig.= 0.000
A     40 THR O   . - A     69 LEU CA  . mod.= 5.464 id.= 5.467 dev=  0.003 sig.= 0.000
A     40 THR O   . - A     70 ASN CA  . mod.= 5.786 id.= 5.794 dev=  0.008 sig.= 0.000
A     40 THR O   . - A     73 GLY N   . mod.= 5.821 id.= 5.818 dev= -0.003 sig.= 0.000
A     40 THR O   . - A     73 GLY CA  . mod.= 5.856 id.= 5.854 dev= -0.003 sig.= 0.000
A     40 THR O   . - A    105 LEU N   . mod.= 5.911 id.= 5.909 dev= -0.002 sig.= 0.000
A     41 GLY N   . - A     66 PRO CA  . mod.= 5.966 id.= 5.968 dev=  0.002 sig.= 0.000
A     41 GLY CA  . - A     42 VAL O   . mod.= 4.854 id.= 4.856 dev=  0.003 sig.= 0.000
A     41 GLY CA  . - A     66 PRO CA  . mod.= 4.802 id.= 4.804 dev=  0.002 sig.= 0.000
A     41 GLY CA  . - A    102 VAL N   . mod.= 5.736 id.= 5.734 dev= -0.002 sig.= 0.000
A     41 GLY C   . - A     42 VAL O   . mod.= 3.954 id.= 3.957 dev=  0.003 sig.= 0.000
A     41 GLY C   . - A     67 MET N   . mod.= 5.293 id.= 5.290 dev= -0.002 sig.= 0.000
A     41 GLY C   . - A    101 ALA CA  . mod.= 5.819 id.= 5.815 dev= -0.004 sig.= 0.000
A     41 GLY C   . - A    102 VAL O   . mod.= 5.780 id.= 5.782 dev=  0.002 sig.= 0.000
A     41 GLY C   . - A    103 ARG CA  . mod.= 5.653 id.= 5.655 dev=  0.002 sig.= 0.000
A     41 GLY O   . - A     42 VAL O   . mod.= 4.687 id.= 4.690 dev=  0.003 sig.= 0.000
A     41 GLY O   . - A     72 HIS O   . mod.= 5.940 id.= 5.943 dev=  0.003 sig.= 0.000
A     42 VAL N   . - A     42 VAL O   . mod.= 2.700 id.= 2.702 dev=  0.002 sig.= 0.000
A     42 VAL N   . - A     43 ASP C   . mod.= 5.470 id.= 5.468 dev= -0.002 sig.= 0.000
A     42 VAL N   . - A     67 MET N   . mod.= 4.756 id.= 4.754 dev= -0.002 sig.= 0.000
A     42 VAL CA  . - A     43 ASP CA  . mod.= 3.810 id.= 3.812 dev=  0.002 sig.= 0.000
A     42 VAL CA  . - A     43 ASP C   . mod.= 4.420 id.= 4.417 dev= -0.004 sig.= 0.000
A     42 VAL CA  . - A     44 TYR N   . mod.= 4.684 id.= 4.687 dev=  0.003 sig.= 0.000
A     42 VAL CA  . - A     66 PRO C   . mod.= 5.247 id.= 5.249 dev=  0.003 sig.= 0.000
A     42 VAL CA  . - A     66 PRO O   . mod.= 4.102 id.= 4.104 dev=  0.002 sig.= 0.000
A     42 VAL C   . - A     44 TYR N   . mod.= 3.333 id.= 3.336 dev=  0.002 sig.= 0.000
A     42 VAL C   . - A     44 TYR C   . mod.= 5.868 id.= 5.870 dev=  0.002 sig.= 0.000
A     42 VAL C   . - A     66 PRO C   . mod.= 5.113 id.= 5.117 dev=  0.004 sig.= 0.000
A     42 VAL C   . - A     66 PRO O   . mod.= 4.158 id.= 4.161 dev=  0.003 sig.= 0.000
A     42 VAL C   . - A     68 ASP N   . mod.= 3.863 id.= 3.861 dev= -0.002 sig.= 0.000
A     42 VAL C   . - A     68 ASP CA  . mod.= 4.492 id.= 4.490 dev= -0.002 sig.= 0.000
A     42 VAL C   . - A     68 ASP C   . mod.= 5.675 id.= 5.673 dev= -0.002 sig.= 0.000
A     42 VAL C   . - A     68 ASP O   . mod.= 5.757 id.= 5.751 dev= -0.005 sig.= 0.000
A     42 VAL O   . - A     43 ASP CA  . mod.= 2.752 id.= 2.758 dev=  0.006 sig.= 0.000
A     42 VAL O   . - A     43 ASP O   . mod.= 4.358 id.= 4.361 dev=  0.003 sig.= 0.000
A     42 VAL O   . - A     44 TYR CA  . mod.= 4.135 id.= 4.132 dev= -0.003 sig.= 0.000
A     42 VAL O   . - A     66 PRO CA  . mod.= 5.616 id.= 5.612 dev= -0.004 sig.= 0.000
A     42 VAL O   . - A     67 MET N   . mod.= 4.417 id.= 4.414 dev= -0.003 sig.= 0.000
A     42 VAL O   . - A     67 MET CA  . mod.= 3.810 id.= 3.807 dev= -0.003 sig.= 0.000
A     42 VAL O   . - A     67 MET O   . mod.= 5.284 id.= 5.282 dev= -0.002 sig.= 0.000
A     43 ASP N   . - A     44 TYR N   . mod.= 3.166 id.= 3.168 dev=  0.002 sig.= 0.000
A     43 ASP N   . - A     44 TYR CA  . mod.= 4.514 id.= 4.509 dev= -0.005 sig.= 0.000
A     43 ASP N   . - A     68 ASP O   . mod.= 5.458 id.= 5.454 dev= -0.005 sig.= 0.000
A     43 ASP N   . - A     73 GLY O   . mod.= 5.827 id.= 5.830 dev=  0.003 sig.= 0.000
A     43 ASP N   . - A     74 THR C   . mod.= 5.795 id.= 5.797 dev=  0.002 sig.= 0.000
A     43 ASP CA  . - A     44 TYR CA  . mod.= 3.829 id.= 3.826 dev= -0.003 sig.= 0.000
A     43 ASP CA  . - A     46 HIS CA  . mod.= 5.788 id.= 5.785 dev= -0.003 sig.= 0.000
A     43 ASP CA  . - A     67 MET CA  . mod.= 5.370 id.= 5.372 dev=  0.003 sig.= 0.000
A     43 ASP CA  . - A     68 ASP CA  . mod.= 5.195 id.= 5.192 dev= -0.002 sig.= 0.000
A     43 ASP CA  . - A     68 ASP C   . mod.= 5.832 id.= 5.829 dev= -0.003 sig.= 0.000
A     43 ASP CA  . - A     68 ASP O   . mod.= 5.403 id.= 5.395 dev= -0.008 sig.= 0.000
A     43 ASP CA  . - A    215 THR CA  . mod.= 5.872 id.= 5.879 dev=  0.007 sig.= 0.000
A     43 ASP C   . - A     44 TYR O   . mod.= 4.394 id.= 4.391 dev= -0.003 sig.= 0.000
A     43 ASP C   . - A     45 THR N   . mod.= 3.197 id.= 3.201 dev=  0.005 sig.= 0.000
A     43 ASP C   . - A     45 THR CA  . mod.= 4.482 id.= 4.487 dev=  0.006 sig.= 0.000
A     43 ASP C   . - A     45 THR C   . mod.= 4.763 id.= 4.768 dev=  0.005 sig.= 0.000
A     43 ASP C   . - A     45 THR O   . mod.= 5.967 id.= 5.972 dev=  0.005 sig.= 0.000
A     43 ASP C   . - A     46 HIS N   . mod.= 4.001 id.= 4.004 dev=  0.003 sig.= 0.000
A     43 ASP C   . - A     46 HIS C   . mod.= 5.944 id.= 5.947 dev=  0.003 sig.= 0.000
A     43 ASP C   . - A     46 HIS O   . mod.= 5.774 id.= 5.772 dev= -0.002 sig.= 0.000
A     43 ASP C   . - A     49 LEU C   . mod.= 5.971 id.= 5.960 dev= -0.011 sig.= 0.000
A     43 ASP C   . - A     68 ASP N   . mod.= 5.886 id.= 5.893 dev=  0.006 sig.= 0.000
A     43 ASP O   . - A     44 TYR CA  . mod.= 2.837 id.= 2.831 dev= -0.005 sig.= 0.000
A     43 ASP O   . - A     46 HIS CA  . mod.= 3.887 id.= 3.885 dev= -0.003 sig.= 0.000
A     43 ASP O   . - A     46 HIS C   . mod.= 4.854 id.= 4.858 dev=  0.005 sig.= 0.000
A     43 ASP O   . - A     46 HIS O   . mod.= 4.710 id.= 4.712 dev=  0.002 sig.= 0.000
A     43 ASP O   . - A     50 ASP N   . mod.= 5.410 id.= 5.412 dev=  0.003 sig.= 0.000
A     44 TYR N   . - A     49 LEU C   . mod.= 5.989 id.= 5.992 dev=  0.003 sig.= 0.000
A     44 TYR N   . - A     67 MET CA  . mod.= 5.833 id.= 5.830 dev= -0.002 sig.= 0.000
A     44 TYR N   . - A     68 ASP N   . mod.= 5.992 id.= 5.989 dev= -0.003 sig.= 0.000
A     44 TYR CA  . - A     45 THR CA  . mod.= 3.825 id.= 3.823 dev= -0.002 sig.= 0.000
A     44 TYR CA  . - A     45 THR C   . mod.= 4.575 id.= 4.573 dev= -0.003 sig.= 0.000
A     44 TYR CA  . - A     45 THR O   . mod.= 5.771 id.= 5.769 dev= -0.002 sig.= 0.000
A     44 TYR CA  . - A     46 HIS N   . mod.= 4.277 id.= 4.273 dev= -0.003 sig.= 0.000
A     44 TYR CA  . - A     46 HIS CA  . mod.= 5.509 id.= 5.504 dev= -0.004 sig.= 0.000
A     44 TYR CA  . - A     49 LEU CA  . mod.= 5.709 id.= 5.705 dev= -0.005 sig.= 0.000
A     44 TYR CA  . - A     49 LEU O   . mod.= 4.792 id.= 4.789 dev= -0.002 sig.= 0.000
A     44 TYR CA  . - A     53 VAL N   . mod.= 5.872 id.= 5.863 dev= -0.009 sig.= 0.000
A     44 TYR CA  . - A     53 VAL CA  . mod.= 5.482 id.= 5.475 dev= -0.007 sig.= 0.000
A     44 TYR CA  . - A     53 VAL C   . mod.= 5.877 id.= 5.872 dev= -0.005 sig.= 0.000
A     44 TYR CA  . - A     53 VAL O   . mod.= 5.593 id.= 5.586 dev= -0.008 sig.= 0.000
A     44 TYR C   . - A     46 HIS O   . mod.= 4.607 id.= 4.609 dev=  0.002 sig.= 0.000
A     44 TYR C   . - A     49 LEU C   . mod.= 4.878 id.= 4.880 dev=  0.002 sig.= 0.000
A     44 TYR C   . - A     50 ASP N   . mod.= 4.586 id.= 4.589 dev=  0.003 sig.= 0.000
A     44 TYR C   . - A     50 ASP O   . mod.= 5.701 id.= 5.698 dev= -0.003 sig.= 0.000
A     44 TYR O   . - A     45 THR CA  . mod.= 2.758 id.= 2.753 dev= -0.004 sig.= 0.000
A     44 TYR O   . - A     50 ASP O   . mod.= 4.583 id.= 4.580 dev= -0.003 sig.= 0.000
A     44 TYR O   . - A     53 VAL O   . mod.= 5.677 id.= 5.672 dev= -0.005 sig.= 0.000
A     45 THR CA  . - A     50 ASP N   . mod.= 5.500 id.= 5.498 dev= -0.003 sig.= 0.000
A     45 THR CA  . - A     50 ASP CA  . mod.= 5.250 id.= 5.247 dev= -0.003 sig.= 0.000
A     45 THR O   . - A     46 HIS CA  . mod.= 2.801 id.= 2.803 dev=  0.002 sig.= 0.000
A     45 THR O   . - A     46 HIS C   . mod.= 3.127 id.= 3.125 dev= -0.002 sig.= 0.000
A     45 THR O   . - A     47 PRO C   . mod.= 5.868 id.= 5.871 dev=  0.003 sig.= 0.000
A     46 HIS CA  . - A     47 PRO CA  . mod.= 3.904 id.= 3.901 dev= -0.003 sig.= 0.000
A     46 HIS CA  . - A     47 PRO O   . mod.= 5.681 id.= 5.684 dev=  0.003 sig.= 0.000
A     46 HIS CA  . - A     48 ASP CA  . mod.= 5.522 id.= 5.518 dev= -0.004 sig.= 0.000
A     46 HIS CA  . - A     48 ASP C   . mod.= 5.463 id.= 5.460 dev= -0.003 sig.= 0.000
A     46 HIS CA  . - A     49 LEU CA  . mod.= 5.052 id.= 5.050 dev= -0.002 sig.= 0.000
A     46 HIS CA  . - A    217 ASN N   . mod.= 5.407 id.= 5.326 dev= -0.081 sig.= 0.000
A     46 HIS CA  . - A    217 ASN CA  . mod.= 5.547 id.= 5.411 dev= -0.136 sig.= 0.000
A     46 HIS C   . - A     47 PRO C   . mod.= 3.205 id.= 3.203 dev= -0.002 sig.= 0.000
A     46 HIS C   . - A     47 PRO O   . mod.= 4.171 id.= 4.168 dev= -0.002 sig.= 0.000
A     46 HIS C   . - A     49 LEU N   . mod.= 3.589 id.= 3.591 dev=  0.002 sig.= 0.000
A     46 HIS C   . - A     50 ASP N   . mod.= 3.871 id.= 3.868 dev= -0.003 sig.= 0.000
A     46 HIS C   . - A     50 ASP CA  . mod.= 4.691 id.= 4.688 dev= -0.004 sig.= 0.000
A     46 HIS O   . - A     49 LEU O   . mod.= 4.496 id.= 4.498 dev=  0.002 sig.= 0.000
A     47 PRO N   . - A     47 PRO O   . mod.= 3.651 id.= 3.656 dev=  0.005 sig.= 0.000
A     47 PRO N   . - A    217 ASN CA  . mod.= 5.814 id.= 5.661 dev= -0.153 sig.= 0.000
A     47 PRO CA  . - A     48 ASP CA  . mod.= 3.828 id.= 3.831 dev=  0.003 sig.= 0.000
A     47 PRO CA  . - A     50 ASP CA  . mod.= 5.553 id.= 5.559 dev=  0.005 sig.= 0.000
A     47 PRO C   . - A     48 ASP C   . mod.= 3.331 id.= 3.333 dev=  0.002 sig.= 0.000
A     47 PRO C   . - A     50 ASP CA  . mod.= 5.446 id.= 5.450 dev=  0.004 sig.= 0.000
A     47 PRO O   . - A     48 ASP CA  . mod.= 2.801 id.= 2.807 dev=  0.006 sig.= 0.000
A     47 PRO O   . - A     48 ASP O   . mod.= 4.531 id.= 4.527 dev= -0.005 sig.= 0.000
A     47 PRO O   . - A     49 LEU N   . mod.= 3.649 id.= 3.646 dev= -0.003 sig.= 0.000
A     47 PRO O   . - A     49 LEU CA  . mod.= 4.901 id.= 4.898 dev= -0.003 sig.= 0.000
A     47 PRO O   . - A     49 LEU C   . mod.= 5.167 id.= 5.164 dev= -0.003 sig.= 0.000
A     47 PRO O   . - A     50 ASP N   . mod.= 4.474 id.= 4.471 dev= -0.003 sig.= 0.000
A     47 PRO O   . - A     50 ASP C   . mod.= 5.918 id.= 5.921 dev=  0.004 sig.= 0.000
A     48 ASP N   . - A     48 ASP O   . mod.= 3.613 id.= 3.610 dev= -0.003 sig.= 0.000
A     48 ASP N   . - A     50 ASP CA  . mod.= 5.857 id.= 5.861 dev=  0.004 sig.= 0.000
A     48 ASP CA  . - A     49 LEU CA  . mod.= 3.837 id.= 3.835 dev= -0.003 sig.= 0.000
A     48 ASP CA  . - A     88 THR O   . mod.= 5.665 id.= 5.669 dev=  0.004 sig.= 0.000
A     48 ASP C   . - A     49 LEU C   . mod.= 3.651 id.= 3.648 dev= -0.003 sig.= 0.000
A     48 ASP C   . - A     82 ALA CA  . mod.= 4.835 id.= 4.837 dev=  0.002 sig.= 0.000
A     48 ASP C   . - A     83 GLU C   . mod.= 5.536 id.= 5.534 dev= -0.002 sig.= 0.000
A     48 ASP C   . - A     83 GLU O   . mod.= 5.339 id.= 5.337 dev= -0.002 sig.= 0.000
A     48 ASP O   . - A     49 LEU C   . mod.= 4.027 id.= 4.024 dev= -0.004 sig.= 0.000
A     48 ASP O   . - A     49 LEU O   . mod.= 4.792 id.= 4.789 dev= -0.003 sig.= 0.000
A     48 ASP O   . - A     81 ALA C   . mod.= 5.590 id.= 5.593 dev=  0.002 sig.= 0.000
A     48 ASP O   . - A     82 ALA N   . mod.= 5.013 id.= 5.019 dev=  0.006 sig.= 0.000
A     48 ASP O   . - A     82 ALA CA  . mod.= 3.633 id.= 3.638 dev=  0.005 sig.= 0.000
A     48 ASP O   . - A     82 ALA C   . mod.= 3.756 id.= 3.759 dev=  0.002 sig.= 0.000
A     48 ASP O   . - A     82 ALA O   . mod.= 4.989 id.= 4.992 dev=  0.003 sig.= 0.000
A     48 ASP O   . - A     83 GLU CA  . mod.= 3.793 id.= 3.790 dev= -0.003 sig.= 0.000
A     48 ASP O   . - A     83 GLU C   . mod.= 4.732 id.= 4.729 dev= -0.003 sig.= 0.000
A     48 ASP O   . - A     83 GLU O   . mod.= 4.618 id.= 4.614 dev= -0.004 sig.= 0.000
A     49 LEU N   . - A     49 LEU O   . mod.= 3.653 id.= 3.650 dev= -0.002 sig.= 0.000
A     49 LEU N   . - A     50 ASP N   . mod.= 2.793 id.= 2.791 dev= -0.002 sig.= 0.000
A     49 LEU N   . - A     50 ASP CA  . mod.= 4.264 id.= 4.261 dev= -0.003 sig.= 0.000
A     49 LEU N   . - A     51 GLY N   . mod.= 4.897 id.= 4.895 dev= -0.002 sig.= 0.000
A     49 LEU N   . - A     82 ALA CA  . mod.= 5.703 id.= 5.706 dev=  0.003 sig.= 0.000
A     49 LEU N   . - A     83 GLU CA  . mod.= 5.651 id.= 5.646 dev= -0.005 sig.= 0.000
A     49 LEU CA  . - A     50 ASP CA  . mod.= 3.835 id.= 3.832 dev= -0.002 sig.= 0.000
A     49 LEU CA  . - A     52 LYS CA  . mod.= 5.230 id.= 5.234 dev=  0.004 sig.= 0.000
A     49 LEU CA  . - A     52 LYS C   . mod.= 5.700 id.= 5.696 dev= -0.004 sig.= 0.000
A     49 LEU CA  . - A     53 VAL N   . mod.= 5.178 id.= 5.175 dev= -0.003 sig.= 0.000
A     49 LEU CA  . - A     82 ALA CA  . mod.= 5.568 id.= 5.570 dev=  0.003 sig.= 0.000
A     49 LEU CA  . - A     83 GLU CA  . mod.= 5.963 id.= 5.959 dev= -0.004 sig.= 0.000
A     49 LEU C   . - A     52 LYS C   . mod.= 4.912 id.= 4.908 dev= -0.003 sig.= 0.000
A     49 LEU C   . - A     53 VAL CA  . mod.= 5.152 id.= 5.156 dev=  0.004 sig.= 0.000
A     49 LEU O   . - A     50 ASP CA  . mod.= 2.788 id.= 2.791 dev=  0.002 sig.= 0.000
A     49 LEU O   . - A     50 ASP C   . mod.= 3.178 id.= 3.184 dev=  0.006 sig.= 0.000
A     49 LEU O   . - A     50 ASP O   . mod.= 3.946 id.= 3.949 dev=  0.003 sig.= 0.000
A     49 LEU O   . - A     51 GLY N   . mod.= 3.336 id.= 3.339 dev=  0.003 sig.= 0.000
A     49 LEU O   . - A     52 LYS C   . mod.= 3.781 id.= 3.775 dev= -0.005 sig.= 0.000
A     49 LEU O   . - A     52 LYS O   . mod.= 4.948 id.= 4.941 dev= -0.007 sig.= 0.000
A     49 LEU O   . - A     53 VAL N   . mod.= 3.018 id.= 3.014 dev= -0.004 sig.= 0.000
A     50 ASP N   . - A     52 LYS CA  . mod.= 5.345 id.= 5.348 dev=  0.003 sig.= 0.000
A     50 ASP N   . - A     53 VAL CA  . mod.= 5.983 id.= 5.988 dev=  0.005 sig.= 0.000
A     50 ASP CA  . - A     51 GLY CA  . mod.= 3.815 id.= 3.813 dev= -0.002 sig.= 0.000
A     50 ASP CA  . - A     52 LYS N   . mod.= 4.235 id.= 4.233 dev= -0.002 sig.= 0.000
A     50 ASP CA  . - A     52 LYS CA  . mod.= 5.441 id.= 5.439 dev= -0.003 sig.= 0.000
A     50 ASP CA  . - A     52 LYS C   . mod.= 5.745 id.= 5.742 dev= -0.003 sig.= 0.000
A     50 ASP CA  . - A     53 VAL N   . mod.= 4.953 id.= 4.951 dev= -0.002 sig.= 0.000
A     50 ASP CA  . - A     53 VAL O   . mod.= 5.841 id.= 5.844 dev=  0.003 sig.= 0.000
A     50 ASP C   . - A     53 VAL CA  . mod.= 5.591 id.= 5.593 dev=  0.002 sig.= 0.000
A     50 ASP C   . - A     53 VAL O   . mod.= 5.429 id.= 5.435 dev=  0.006 sig.= 0.000
A     50 ASP O   . - A     52 LYS CA  . mod.= 4.960 id.= 4.956 dev= -0.004 sig.= 0.000
A     50 ASP O   . - A     53 VAL C   . mod.= 5.578 id.= 5.583 dev=  0.005 sig.= 0.000
A     50 ASP O   . - A     53 VAL O   . mod.= 4.810 id.= 4.814 dev=  0.005 sig.= 0.000
A     51 GLY N   . - A     53 VAL N   . mod.= 4.717 id.= 4.719 dev=  0.002 sig.= 0.000
A     51 GLY N   . - A     53 VAL CA  . mod.= 5.976 id.= 5.979 dev=  0.003 sig.= 0.000
A     51 GLY CA  . - A     52 LYS C   . mod.= 4.824 id.= 4.828 dev=  0.003 sig.= 0.000
A     51 GLY CA  . - A     52 LYS O   . mod.= 5.844 id.= 5.847 dev=  0.003 sig.= 0.000
A     51 GLY CA  . - A     53 VAL N   . mod.= 4.934 id.= 4.938 dev=  0.004 sig.= 0.000
A     51 GLY C   . - A     53 VAL C   . mod.= 5.914 id.= 5.916 dev=  0.002 sig.= 0.000
A     51 GLY C   . - A     53 VAL O   . mod.= 5.783 id.= 5.785 dev=  0.002 sig.= 0.000
A     51 GLY O   . - A     52 LYS CA  . mod.= 2.783 id.= 2.779 dev= -0.004 sig.= 0.000
A     52 LYS N   . - A     53 VAL C   . mod.= 5.094 id.= 5.096 dev=  0.003 sig.= 0.000
A     52 LYS CA  . - A     53 VAL C   . mod.= 4.721 id.= 4.719 dev= -0.002 sig.= 0.000
A     52 LYS CA  . - A     53 VAL O   . mod.= 5.107 id.= 5.103 dev= -0.003 sig.= 0.000
A     52 LYS CA  . - A     54 ILE N   . mod.= 5.490 id.= 5.486 dev= -0.005 sig.= 0.000
A     52 LYS CA  . - A     81 ALA O   . mod.= 5.422 id.= 5.425 dev=  0.002 sig.= 0.000
A     52 LYS CA  . - A     98 ARG N   . mod.= 5.727 id.= 5.724 dev= -0.003 sig.= 0.000
A     52 LYS CA  . - A     98 ARG CA  . mod.= 4.739 id.= 4.736 dev= -0.002 sig.= 0.000
A     52 LYS CA  . - A     99 ILE CA  . mod.= 5.782 id.= 5.785 dev=  0.004 sig.= 0.000
A     52 LYS CA  . - A     99 ILE O   . mod.= 5.831 id.= 5.828 dev= -0.003 sig.= 0.000
A     52 LYS C   . - A     54 ILE CA  . mod.= 5.290 id.= 5.287 dev= -0.003 sig.= 0.000
A     52 LYS C   . - A     97 THR O   . mod.= 5.594 id.= 5.590 dev= -0.004 sig.= 0.000
A     52 LYS C   . - A     98 ARG N   . mod.= 5.723 id.= 5.720 dev= -0.003 sig.= 0.000
A     52 LYS C   . - A     98 ARG CA  . mod.= 4.467 id.= 4.465 dev= -0.002 sig.= 0.000
A     52 LYS C   . - A     99 ILE CA  . mod.= 4.757 id.= 4.760 dev=  0.003 sig.= 0.000
A     52 LYS O   . - A     54 ILE N   . mod.= 3.660 id.= 3.657 dev= -0.003 sig.= 0.000
A     52 LYS O   . - A     54 ILE CA  . mod.= 4.891 id.= 4.884 dev= -0.007 sig.= 0.000
A     52 LYS O   . - A     54 ILE C   . mod.= 5.965 id.= 5.961 dev= -0.004 sig.= 0.000
A     52 LYS O   . - A     54 ILE O   . mod.= 5.997 id.= 5.994 dev= -0.004 sig.= 0.000
A     52 LYS O   . - A     97 THR C   . mod.= 5.417 id.= 5.413 dev= -0.003 sig.= 0.000
A     52 LYS O   . - A     97 THR O   . mod.= 5.066 id.= 5.062 dev= -0.004 sig.= 0.000
A     52 LYS O   . - A     98 ARG N   . mod.= 4.820 id.= 4.818 dev= -0.002 sig.= 0.000
A     52 LYS O   . - A     99 ILE CA  . mod.= 3.864 id.= 3.866 dev=  0.002 sig.= 0.000
A     52 LYS O   . - A    100 LEU N   . mod.= 5.456 id.= 5.453 dev= -0.003 sig.= 0.000
A     53 VAL N   . - A     54 ILE CA  . mod.= 4.867 id.= 4.869 dev=  0.002 sig.= 0.000
A     53 VAL N   . - A     54 ILE C   . mod.= 5.749 id.= 5.758 dev=  0.009 sig.= 0.000
A     53 VAL N   . - A     54 ILE O   . mod.= 5.921 id.= 5.925 dev=  0.004 sig.= 0.000
A     53 VAL N   . - A     98 ARG CA  . mod.= 5.650 id.= 5.647 dev= -0.002 sig.= 0.000
A     53 VAL N   . - A     99 ILE CA  . mod.= 5.185 id.= 5.189 dev=  0.004 sig.= 0.000
A     53 VAL N   . - A     99 ILE O   . mod.= 4.461 id.= 4.459 dev= -0.002 sig.= 0.000
A     53 VAL CA  . - A     54 ILE C   . mod.= 4.454 id.= 4.460 dev=  0.006 sig.= 0.000
A     53 VAL CA  . - A     98 ARG C   . mod.= 5.742 id.= 5.746 dev=  0.003 sig.= 0.000
A     53 VAL CA  . - A     99 ILE N   . mod.= 4.552 id.= 4.557 dev=  0.005 sig.= 0.000
A     53 VAL CA  . - A     99 ILE CA  . mod.= 4.710 id.= 4.717 dev=  0.008 sig.= 0.000
A     53 VAL CA  . - A     99 ILE C   . mod.= 4.452 id.= 4.455 dev=  0.002 sig.= 0.000
A     53 VAL CA  . - A     99 ILE O   . mod.= 3.497 id.= 3.494 dev= -0.002 sig.= 0.000
A     53 VAL CA  . - A    101 ALA N   . mod.= 5.802 id.= 5.806 dev=  0.003 sig.= 0.000
A     53 VAL C   . - A     54 ILE C   . mod.= 3.290 id.= 3.296 dev=  0.006 sig.= 0.000
A     53 VAL C   . - A     99 ILE O   . mod.= 3.594 id.= 3.591 dev= -0.003 sig.= 0.000
A     53 VAL C   . - A    100 LEU N   . mod.= 5.797 id.= 5.794 dev= -0.003 sig.= 0.000
A     53 VAL C   . - A    100 LEU CA  . mod.= 5.853 id.= 5.861 dev=  0.007 sig.= 0.000
A     53 VAL C   . - A    101 ALA N   . mod.= 5.692 id.= 5.690 dev= -0.002 sig.= 0.000
A     53 VAL O   . - A     54 ILE CA  . mod.= 2.821 id.= 2.826 dev=  0.006 sig.= 0.000
A     53 VAL O   . - A     54 ILE C   . mod.= 3.688 id.= 3.698 dev=  0.009 sig.= 0.000
A     53 VAL O   . - A     55 LYS N   . mod.= 4.132 id.= 4.136 dev=  0.004 sig.= 0.000
A     54 ILE N   . - A     55 LYS N   . mod.= 3.430 id.= 3.426 dev= -0.004 sig.= 0.000
A     54 ILE N   . - A     55 LYS CA  . mod.= 4.658 id.= 4.654 dev= -0.004 sig.= 0.000
A     54 ILE N   . - A     98 ARG C   . mod.= 5.940 id.= 5.935 dev= -0.004 sig.= 0.000
A     54 ILE N   . - A    100 LEU CA  . mod.= 4.737 id.= 4.743 dev=  0.006 sig.= 0.000
A     54 ILE CA  . - A     55 LYS C   . mod.= 4.508 id.= 4.514 dev=  0.005 sig.= 0.000
A     54 ILE CA  . - A     55 LYS O   . mod.= 4.783 id.= 4.789 dev=  0.006 sig.= 0.000
A     54 ILE CA  . - A     56 GLY N   . mod.= 5.308 id.= 5.314 dev=  0.005 sig.= 0.000
A     54 ILE CA  . - A     99 ILE N   . mod.= 5.911 id.= 5.906 dev= -0.005 sig.= 0.000
A     54 ILE CA  . - A     99 ILE C   . mod.= 4.840 id.= 4.843 dev=  0.003 sig.= 0.000
A     54 ILE CA  . - A     99 ILE O   . mod.= 3.653 id.= 3.657 dev=  0.004 sig.= 0.000
A     54 ILE CA  . - A    100 LEU CA  . mod.= 4.977 id.= 4.981 dev=  0.004 sig.= 0.000
A     54 ILE CA  . - A    100 LEU C   . mod.= 5.644 id.= 5.649 dev=  0.005 sig.= 0.000
A     54 ILE CA  . - A    101 ALA N   . mod.= 5.111 id.= 5.118 dev=  0.007 sig.= 0.000
A     54 ILE C   . - A     55 LYS O   . mod.= 3.696 id.= 3.691 dev= -0.004 sig.= 0.000
A     54 ILE C   . - A     56 GLY N   . mod.= 3.864 id.= 3.862 dev= -0.002 sig.= 0.000
A     54 ILE C   . - A     56 GLY CA  . mod.= 5.069 id.= 5.072 dev=  0.002 sig.= 0.000
A     54 ILE C   . - A     99 ILE C   . mod.= 4.993 id.= 4.990 dev= -0.003 sig.= 0.000
A     54 ILE C   . - A     99 ILE O   . mod.= 3.933 id.= 3.929 dev= -0.003 sig.= 0.000
A     54 ILE C   . - A    100 LEU N   . mod.= 5.317 id.= 5.310 dev= -0.006 sig.= 0.000
A     54 ILE C   . - A    100 LEU CA  . mod.= 4.548 id.= 4.544 dev= -0.003 sig.= 0.000
A     54 ILE C   . - A    100 LEU C   . mod.= 4.874 id.= 4.872 dev= -0.002 sig.= 0.000
A     54 ILE C   . - A    101 ALA N   . mod.= 4.123 id.= 4.125 dev=  0.002 sig.= 0.000
A     54 ILE C   . - A    101 ALA CA  . mod.= 5.064 id.= 5.070 dev=  0.006 sig.= 0.000
A     54 ILE C   . - A    101 ALA C   . mod.= 5.686 id.= 5.690 dev=  0.004 sig.= 0.000
A     54 ILE C   . - A    101 ALA O   . mod.= 5.256 id.= 5.259 dev=  0.003 sig.= 0.000
A     54 ILE O   . - A     56 GLY N   . mod.= 3.525 id.= 3.523 dev= -0.002 sig.= 0.000
A     54 ILE O   . - A     56 GLY CA  . mod.= 4.676 id.= 4.679 dev=  0.003 sig.= 0.000
A     54 ILE O   . - A     56 GLY O   . mod.= 5.901 id.= 5.899 dev= -0.003 sig.= 0.000
A     54 ILE O   . - A     99 ILE O   . mod.= 3.328 id.= 3.325 dev= -0.003 sig.= 0.000
A     54 ILE O   . - A    100 LEU N   . mod.= 4.367 id.= 4.363 dev= -0.004 sig.= 0.000
A     54 ILE O   . - A    100 LEU CA  . mod.= 3.510 id.= 3.513 dev=  0.004 sig.= 0.000
A     55 LYS N   . - A     55 LYS O   . mod.= 2.947 id.= 2.943 dev= -0.004 sig.= 0.000
A     55 LYS N   . - A     56 GLY N   . mod.= 3.483 id.= 3.481 dev= -0.002 sig.= 0.000
A     55 LYS N   . - A     56 GLY CA  . mod.= 4.756 id.= 4.762 dev=  0.006 sig.= 0.000
A     55 LYS N   . - A     99 ILE O   . mod.= 5.252 id.= 5.246 dev= -0.006 sig.= 0.000
A     55 LYS N   . - A    100 LEU CA  . mod.= 5.673 id.= 5.668 dev= -0.004 sig.= 0.000
A     55 LYS N   . - A    100 LEU C   . mod.= 5.831 id.= 5.826 dev= -0.005 sig.= 0.000
A     55 LYS N   . - A    101 ALA CA  . mod.= 5.633 id.= 5.636 dev=  0.003 sig.= 0.000
A     55 LYS N   . - A    101 ALA O   . mod.= 5.362 id.= 5.364 dev=  0.002 sig.= 0.000
A     55 LYS CA  . - A     56 GLY CA  . mod.= 3.777 id.= 3.783 dev=  0.006 sig.= 0.000
A     55 LYS CA  . - A     57 TYR N   . mod.= 5.745 id.= 5.742 dev= -0.003 sig.= 0.000
A     55 LYS CA  . - A     64 TYR O   . mod.= 5.380 id.= 5.383 dev=  0.003 sig.= 0.000
A     55 LYS CA  . - A     66 PRO N   . mod.= 5.749 id.= 5.756 dev=  0.007 sig.= 0.000
A     55 LYS CA  . - A    101 ALA N   . mod.= 4.809 id.= 4.813 dev=  0.003 sig.= 0.000
A     55 LYS CA  . - A    101 ALA CA  . mod.= 5.193 id.= 5.204 dev=  0.010 sig.= 0.000
A     55 LYS CA  . - A    101 ALA C   . mod.= 5.259 id.= 5.268 dev=  0.009 sig.= 0.000
A     55 LYS CA  . - A    101 ALA O   . mod.= 4.425 id.= 4.433 dev=  0.008 sig.= 0.000
A     55 LYS C   . - A     56 GLY C   . mod.= 3.275 id.= 3.278 dev=  0.003 sig.= 0.000
A     55 LYS C   . - A     64 TYR O   . mod.= 5.359 id.= 5.361 dev=  0.002 sig.= 0.000
A     55 LYS C   . - A    100 LEU CA  . mod.= 5.811 id.= 5.809 dev= -0.002 sig.= 0.000
A     55 LYS O   . - A     56 GLY CA  . mod.= 2.747 id.= 2.752 dev=  0.005 sig.= 0.000
A     55 LYS O   . - A     56 GLY O   . mod.= 3.798 id.= 3.796 dev= -0.002 sig.= 0.000
A     55 LYS O   . - A     57 TYR CA  . mod.= 5.893 id.= 5.890 dev= -0.003 sig.= 0.000
A     56 GLY N   . - A     64 TYR O   . mod.= 5.637 id.= 5.639 dev=  0.002 sig.= 0.000
A     56 GLY N   . - A     66 PRO CA  . mod.= 5.978 id.= 5.975 dev= -0.003 sig.= 0.000
A     56 GLY N   . - A    100 LEU C   . mod.= 5.038 id.= 5.036 dev= -0.002 sig.= 0.000
A     56 GLY N   . - A    100 LEU O   . mod.= 5.834 id.= 5.832 dev= -0.002 sig.= 0.000
A     56 GLY N   . - A    101 ALA N   . mod.= 4.259 id.= 4.257 dev= -0.002 sig.= 0.000
A     56 GLY CA  . - A     57 TYR C   . mod.= 4.658 id.= 4.663 dev=  0.005 sig.= 0.000
A     56 GLY CA  . - A     57 TYR O   . mod.= 4.625 id.= 4.628 dev=  0.003 sig.= 0.000
A     56 GLY CA  . - A     58 ASP N   . mod.= 5.749 id.= 5.757 dev=  0.008 sig.= 0.000
A     56 GLY CA  . - A    100 LEU CA  . mod.= 5.864 id.= 5.856 dev= -0.009 sig.= 0.000
A     56 GLY CA  . - A    100 LEU C   . mod.= 5.502 id.= 5.498 dev= -0.005 sig.= 0.000
A     56 GLY CA  . - A    101 ALA O   . mod.= 3.238 id.= 3.240 dev=  0.002 sig.= 0.000
A     56 GLY CA  . - A    102 VAL CA  . mod.= 5.017 id.= 5.015 dev= -0.002 sig.= 0.000
A     56 GLY C   . - A    103 ARG N   . mod.= 5.739 id.= 5.741 dev=  0.002 sig.= 0.000
A     56 GLY O   . - A     58 ASP CA  . mod.= 5.061 id.= 5.064 dev=  0.004 sig.= 0.000
A     56 GLY O   . - A     64 TYR CA  . mod.= 4.451 id.= 4.453 dev=  0.002 sig.= 0.000
A     56 GLY O   . - A     65 ASP CA  . mod.= 5.285 id.= 5.279 dev= -0.007 sig.= 0.000
A     56 GLY O   . - A     65 ASP C   . mod.= 5.076 id.= 5.073 dev= -0.003 sig.= 0.000
A     56 GLY O   . - A     66 PRO C   . mod.= 5.985 id.= 5.988 dev=  0.003 sig.= 0.000
A     56 GLY O   . - A    101 ALA CA  . mod.= 5.888 id.= 5.884 dev= -0.003 sig.= 0.000
A     56 GLY O   . - A    103 ARG N   . mod.= 5.683 id.= 5.686 dev=  0.003 sig.= 0.000
A     57 TYR N   . - A     58 ASP CA  . mod.= 4.995 id.= 4.997 dev=  0.002 sig.= 0.000
A     57 TYR N   . - A     58 ASP C   . mod.= 5.744 id.= 5.739 dev= -0.005 sig.= 0.000
A     57 TYR N   . - A     63 ASP O   . mod.= 5.150 id.= 5.148 dev= -0.002 sig.= 0.000
A     57 TYR N   . - A     64 TYR C   . mod.= 5.772 id.= 5.769 dev= -0.003 sig.= 0.000
A     57 TYR N   . - A    103 ARG N   . mod.= 5.577 id.= 5.579 dev=  0.002 sig.= 0.000
A     57 TYR CA  . - A     58 ASP CA  . mod.= 3.850 id.= 3.858 dev=  0.008 sig.= 0.000
A     57 TYR CA  . - A     63 ASP O   . mod.= 3.875 id.= 3.877 dev=  0.002 sig.= 0.000
A     57 TYR CA  . - A     64 TYR CA  . mod.= 4.774 id.= 4.777 dev=  0.003 sig.= 0.000
A     57 TYR CA  . - A     65 ASP N   . mod.= 5.763 id.= 5.765 dev=  0.002 sig.= 0.000
A     57 TYR CA  . - A     66 PRO N   . mod.= 5.892 id.= 5.897 dev=  0.005 sig.= 0.000
A     57 TYR CA  . - A    101 ALA O   . mod.= 5.148 id.= 5.146 dev= -0.002 sig.= 0.000
A     57 TYR CA  . - A    102 VAL CA  . mod.= 5.365 id.= 5.363 dev= -0.003 sig.= 0.000
A     57 TYR CA  . - A    103 ARG N   . mod.= 5.471 id.= 5.474 dev=  0.002 sig.= 0.000
A     57 TYR C   . - A     58 ASP O   . mod.= 4.040 id.= 4.037 dev= -0.004 sig.= 0.000
A     57 TYR C   . - A     59 PHE CA  . mod.= 4.995 id.= 4.991 dev= -0.004 sig.= 0.000
A     57 TYR C   . - A     63 ASP N   . mod.= 5.849 id.= 5.846 dev= -0.003 sig.= 0.000
A     57 TYR C   . - A     63 ASP C   . mod.= 4.949 id.= 4.947 dev= -0.002 sig.= 0.000
A     57 TYR C   . - A     64 TYR CA  . mod.= 5.216 id.= 5.219 dev=  0.003 sig.= 0.000
A     57 TYR C   . - A     66 PRO N   . mod.= 5.281 id.= 5.288 dev=  0.007 sig.= 0.000
A     57 TYR C   . - A     66 PRO CA  . mod.= 5.196 id.= 5.199 dev=  0.004 sig.= 0.000
A     57 TYR C   . - A    101 ALA C   . mod.= 5.808 id.= 5.805 dev= -0.003 sig.= 0.000
A     57 TYR C   . - A    102 VAL N   . mod.= 5.783 id.= 5.779 dev= -0.003 sig.= 0.000
A     57 TYR C   . - A    102 VAL CA  . mod.= 4.697 id.= 4.693 dev= -0.004 sig.= 0.000
A     57 TYR C   . - A    103 ARG CA  . mod.= 5.091 id.= 5.093 dev=  0.002 sig.= 0.000
A     57 TYR C   . - A    103 ARG C   . mod.= 5.356 id.= 5.359 dev=  0.003 sig.= 0.000
A     57 TYR C   . - A    103 ARG O   . mod.= 4.709 id.= 4.713 dev=  0.004 sig.= 0.000
A     57 TYR O   . - A     58 ASP O   . mod.= 4.679 id.= 4.674 dev= -0.005 sig.= 0.000
A     57 TYR O   . - A     59 PHE CA  . mod.= 5.113 id.= 5.109 dev= -0.004 sig.= 0.000
A     57 TYR O   . - A     63 ASP O   . mod.= 4.886 id.= 4.882 dev= -0.005 sig.= 0.000
A     57 TYR O   . - A    101 ALA C   . mod.= 4.895 id.= 4.891 dev= -0.004 sig.= 0.000
A     57 TYR O   . - A    101 ALA O   . mod.= 4.221 id.= 4.218 dev= -0.003 sig.= 0.000
A     57 TYR O   . - A    102 VAL N   . mod.= 4.695 id.= 4.692 dev= -0.004 sig.= 0.000
A     57 TYR O   . - A    102 VAL CA  . mod.= 3.531 id.= 3.527 dev= -0.003 sig.= 0.000
A     57 TYR O   . - A    103 ARG C   . mod.= 4.454 id.= 4.458 dev=  0.004 sig.= 0.000
A     57 TYR O   . - A    103 ARG O   . mod.= 3.993 id.= 3.997 dev=  0.005 sig.= 0.000
A     57 TYR O   . - A    104 ALA N   . mod.= 5.675 id.= 5.679 dev=  0.004 sig.= 0.000
A     58 ASP N   . - A     59 PHE N   . mod.= 3.222 id.= 3.225 dev=  0.003 sig.= 0.000
A     58 ASP N   . - A     62 ASN CA  . mod.= 5.777 id.= 5.770 dev= -0.007 sig.= 0.000
A     58 ASP N   . - A     62 ASN C   . mod.= 5.620 id.= 5.616 dev= -0.005 sig.= 0.000
A     58 ASP N   . - A     63 ASP N   . mod.= 4.614 id.= 4.611 dev= -0.003 sig.= 0.000
A     58 ASP N   . - A     63 ASP CA  . mod.= 4.909 id.= 4.904 dev= -0.004 sig.= 0.000
A     58 ASP N   . - A     63 ASP C   . mod.= 3.955 id.= 3.952 dev= -0.003 sig.= 0.000
A     58 ASP N   . - A     63 ASP O   . mod.= 2.763 id.= 2.761 dev= -0.003 sig.= 0.000
A     58 ASP N   . - A     64 TYR N   . mod.= 4.777 id.= 4.774 dev= -0.003 sig.= 0.000
A     58 ASP N   . - A     64 TYR C   . mod.= 5.076 id.= 5.073 dev= -0.003 sig.= 0.000
A     58 ASP N   . - A     65 ASP N   . mod.= 4.967 id.= 4.965 dev= -0.003 sig.= 0.000
A     58 ASP N   . - A     65 ASP C   . mod.= 5.157 id.= 5.154 dev= -0.003 sig.= 0.000
A     58 ASP N   . - A     65 ASP O   . mod.= 5.366 id.= 5.371 dev=  0.006 sig.= 0.000
A     58 ASP N   . - A    101 ALA O   . mod.= 5.967 id.= 5.963 dev= -0.003 sig.= 0.000
A     58 ASP N   . - A    102 VAL CA  . mod.= 5.707 id.= 5.701 dev= -0.005 sig.= 0.000
A     58 ASP N   . - A    102 VAL C   . mod.= 5.711 id.= 5.706 dev= -0.004 sig.= 0.000
A     58 ASP N   . - A    103 ARG N   . mod.= 4.712 id.= 4.708 dev= -0.004 sig.= 0.000
A     58 ASP N   . - A    103 ARG O   . mod.= 4.666 id.= 4.669 dev=  0.003 sig.= 0.000
A     58 ASP CA  . - A     59 PHE CA  . mod.= 3.800 id.= 3.807 dev=  0.007 sig.= 0.000
A     58 ASP CA  . - A     59 PHE C   . mod.= 4.545 id.= 4.550 dev=  0.005 sig.= 0.000
A     58 ASP CA  . - A     59 PHE O   . mod.= 5.671 id.= 5.677 dev=  0.006 sig.= 0.000
A     58 ASP CA  . - A     60 VAL CA  . mod.= 5.493 id.= 5.496 dev=  0.002 sig.= 0.000
A     58 ASP CA  . - A     61 ASP CA  . mod.= 5.933 id.= 5.936 dev=  0.003 sig.= 0.000
A     58 ASP CA  . - A     61 ASP C   . mod.= 5.868 id.= 5.871 dev=  0.003 sig.= 0.000
A     58 ASP CA  . - A     62 ASN N   . mod.= 5.084 id.= 5.091 dev=  0.006 sig.= 0.000
A     58 ASP CA  . - A     62 ASN C   . mod.= 5.547 id.= 5.549 dev=  0.002 sig.= 0.000
A     58 ASP CA  . - A     63 ASP CA  . mod.= 5.145 id.= 5.143 dev= -0.002 sig.= 0.000
A     58 ASP CA  . - A     64 TYR CA  . mod.= 5.685 id.= 5.691 dev=  0.006 sig.= 0.000
A     58 ASP CA  . - A     65 ASP O   . mod.= 5.017 id.= 5.025 dev=  0.008 sig.= 0.000
A     58 ASP CA  . - A     66 PRO N   . mod.= 5.062 id.= 5.067 dev=  0.005 sig.= 0.000
A     58 ASP CA  . - A    102 VAL CA  . mod.= 5.863 id.= 5.856 dev= -0.007 sig.= 0.000
A     58 ASP CA  . - A    102 VAL C   . mod.= 5.476 id.= 5.468 dev= -0.007 sig.= 0.000
A     58 ASP CA  . - A    103 ARG N   . mod.= 4.278 id.= 4.271 dev= -0.007 sig.= 0.000
A     58 ASP CA  . - A    103 ARG CA  . mod.= 4.423 id.= 4.417 dev= -0.006 sig.= 0.000
A     58 ASP CA  . - A    103 ARG C   . mod.= 4.479 id.= 4.473 dev= -0.006 sig.= 0.000
A     58 ASP CA  . - A    104 ALA N   . mod.= 5.763 id.= 5.758 dev= -0.005 sig.= 0.000
A     58 ASP C   . - A     59 PHE C   . mod.= 3.230 id.= 3.228 dev= -0.002 sig.= 0.000
A     58 ASP C   . - A     59 PHE O   . mod.= 4.275 id.= 4.271 dev= -0.004 sig.= 0.000
A     58 ASP C   . - A     61 ASP N   . mod.= 4.422 id.= 4.425 dev=  0.003 sig.= 0.000
A     58 ASP C   . - A     61 ASP CA  . mod.= 5.281 id.= 5.284 dev=  0.003 sig.= 0.000
A     58 ASP C   . - A     62 ASN CA  . mod.= 4.427 id.= 4.420 dev= -0.007 sig.= 0.000
A     58 ASP C   . - A     62 ASN C   . mod.= 4.863 id.= 4.859 dev= -0.004 sig.= 0.000
A     58 ASP C   . - A    103 ARG CA  . mod.= 5.156 id.= 5.161 dev=  0.005 sig.= 0.000
A     58 ASP C   . - A    103 ARG C   . mod.= 4.754 id.= 4.756 dev=  0.002 sig.= 0.000
A     58 ASP C   . - A    103 ARG O   . mod.= 3.687 id.= 3.691 dev=  0.003 sig.= 0.000
A     58 ASP O   . - A     60 VAL CA  . mod.= 4.671 id.= 4.668 dev= -0.003 sig.= 0.000
A     58 ASP O   . - A     62 ASN CA  . mod.= 3.212 id.= 3.210 dev= -0.002 sig.= 0.000
A     58 ASP O   . - A     62 ASN O   . mod.= 4.897 id.= 4.893 dev= -0.004 sig.= 0.000
A     58 ASP O   . - A    103 ARG C   . mod.= 5.886 id.= 5.882 dev= -0.004 sig.= 0.000
A     59 PHE N   . - A     59 PHE O   . mod.= 3.599 id.= 3.597 dev= -0.002 sig.= 0.000
A     59 PHE N   . - A     62 ASN CA  . mod.= 5.159 id.= 5.157 dev= -0.002 sig.= 0.000
A     59 PHE N   . - A     62 ASN C   . mod.= 5.863 id.= 5.860 dev= -0.002 sig.= 0.000
A     59 PHE N   . - A    102 VAL C   . mod.= 5.891 id.= 5.886 dev= -0.005 sig.= 0.000
A     59 PHE N   . - A    103 ARG N   . mod.= 4.852 id.= 4.850 dev= -0.002 sig.= 0.000
A     59 PHE N   . - A    103 ARG O   . mod.= 2.817 id.= 2.819 dev=  0.002 sig.= 0.000
A     59 PHE CA  . - A     62 ASN CA  . mod.= 4.910 id.= 4.913 dev=  0.003 sig.= 0.000
A     59 PHE CA  . - A     63 ASP N   . mod.= 5.772 id.= 5.775 dev=  0.003 sig.= 0.000
A     59 PHE CA  . - A     63 ASP O   . mod.= 5.963 id.= 5.965 dev=  0.002 sig.= 0.000
A     59 PHE CA  . - A    115 ASP CA  . mod.= 5.727 id.= 5.746 dev=  0.019 sig.= 0.000
A     59 PHE C   . - A     60 VAL O   . mod.= 3.824 id.= 3.820 dev= -0.003 sig.= 0.000
A     59 PHE C   . - A     61 ASP CA  . mod.= 4.757 id.= 4.753 dev= -0.004 sig.= 0.000
A     59 PHE C   . - A     62 ASN N   . mod.= 4.081 id.= 4.079 dev= -0.002 sig.= 0.000
A     59 PHE C   . - A     62 ASN CA  . mod.= 4.781 id.= 4.785 dev=  0.004 sig.= 0.000
A     59 PHE C   . - A    104 ALA C   . mod.= 5.981 id.= 5.985 dev=  0.004 sig.= 0.000
A     59 PHE C   . - A    115 ASP CA  . mod.= 5.670 id.= 5.678 dev=  0.008 sig.= 0.000
A     59 PHE O   . - A     60 VAL C   . mod.= 3.216 id.= 3.220 dev=  0.005 sig.= 0.000
A     59 PHE O   . - A     61 ASP N   . mod.= 3.905 id.= 3.909 dev=  0.004 sig.= 0.000
A     59 PHE O   . - A     62 ASN CA  . mod.= 4.807 id.= 4.814 dev=  0.007 sig.= 0.000
A     59 PHE O   . - A    115 ASP CA  . mod.= 5.384 id.= 5.389 dev=  0.005 sig.= 0.000
A     60 VAL N   . - A     61 ASP N   . mod.= 2.862 id.= 2.860 dev= -0.002 sig.= 0.000
A     60 VAL N   . - A     61 ASP CA  . mod.= 4.253 id.= 4.250 dev= -0.003 sig.= 0.000
A     60 VAL N   . - A     62 ASN CA  . mod.= 5.222 id.= 5.225 dev=  0.003 sig.= 0.000
A     60 VAL N   . - A    103 ARG C   . mod.= 4.578 id.= 4.576 dev= -0.002 sig.= 0.000
A     60 VAL N   . - A    103 ARG O   . mod.= 3.638 id.= 3.636 dev= -0.002 sig.= 0.000
A     60 VAL N   . - A    104 ALA N   . mod.= 5.124 id.= 5.121 dev= -0.003 sig.= 0.000
A     60 VAL N   . - A    104 ALA CA  . mod.= 4.793 id.= 4.788 dev= -0.005 sig.= 0.000
A     60 VAL N   . - A    104 ALA O   . mod.= 5.573 id.= 5.577 dev=  0.004 sig.= 0.000
A     60 VAL N   . - A    105 LEU N   . mod.= 5.996 id.= 5.998 dev=  0.003 sig.= 0.000
A     60 VAL CA  . - A     61 ASP CA  . mod.= 3.806 id.= 3.804 dev= -0.002 sig.= 0.000
A     60 VAL CA  . - A     61 ASP C   . mod.= 4.719 id.= 4.717 dev= -0.002 sig.= 0.000
A     60 VAL CA  . - A     61 ASP O   . mod.= 5.891 id.= 5.888 dev= -0.003 sig.= 0.000
A     60 VAL CA  . - A    104 ALA CA  . mod.= 5.336 id.= 5.330 dev= -0.006 sig.= 0.000
A     60 VAL C   . - A     62 ASN CA  . mod.= 4.854 id.= 4.858 dev=  0.004 sig.= 0.000
A     60 VAL C   . - A    103 ARG O   . mod.= 5.924 id.= 5.920 dev= -0.003 sig.= 0.000
A     60 VAL O   . - A     62 ASN CA  . mod.= 5.135 id.= 5.140 dev=  0.005 sig.= 0.000
A     61 ASP N   . - A     62 ASN N   . mod.= 2.730 id.= 2.734 dev=  0.004 sig.= 0.000
A     61 ASP N   . - A     62 ASN C   . mod.= 5.123 id.= 5.125 dev=  0.002 sig.= 0.000
A     61 ASP N   . - A     63 ASP N   . mod.= 5.053 id.= 5.050 dev= -0.003 sig.= 0.000
A     61 ASP N   . - A    103 ARG O   . mod.= 5.955 id.= 5.952 dev= -0.003 sig.= 0.000
A     61 ASP CA  . - A     62 ASN CA  . mod.= 3.816 id.= 3.814 dev= -0.002 sig.= 0.000
A     61 ASP CA  . - A     63 ASP N   . mod.= 4.668 id.= 4.665 dev= -0.003 sig.= 0.000
A     61 ASP CA  . - A     63 ASP CA  . mod.= 5.787 id.= 5.784 dev= -0.003 sig.= 0.000
A     61 ASP C   . - A     63 ASP C   . mod.= 5.849 id.= 5.852 dev=  0.003 sig.= 0.000
A     61 ASP O   . - A     62 ASN C   . mod.= 3.177 id.= 3.181 dev=  0.004 sig.= 0.000
A     61 ASP O   . - A     62 ASN O   . mod.= 3.572 id.= 3.576 dev=  0.004 sig.= 0.000
A     61 ASP O   . - A     63 ASP N   . mod.= 3.692 id.= 3.689 dev= -0.002 sig.= 0.000
A     61 ASP O   . - A     63 ASP CA  . mod.= 4.661 id.= 4.659 dev= -0.002 sig.= 0.000
A     62 ASN N   . - A     62 ASN O   . mod.= 3.547 id.= 3.545 dev= -0.002 sig.= 0.000
A     62 ASN N   . - A     63 ASP N   . mod.= 2.944 id.= 2.947 dev=  0.003 sig.= 0.000
A     62 ASN N   . - A     63 ASP CA  . mod.= 4.336 id.= 4.340 dev=  0.004 sig.= 0.000
A     62 ASN N   . - A     63 ASP C   . mod.= 5.288 id.= 5.293 dev=  0.005 sig.= 0.000
A     62 ASN CA  . - A     63 ASP CA  . mod.= 3.788 id.= 3.784 dev= -0.003 sig.= 0.000
A     62 ASN CA  . - A     63 ASP C   . mod.= 4.781 id.= 4.774 dev= -0.007 sig.= 0.000
A     62 ASN CA  . - A     63 ASP O   . mod.= 4.709 id.= 4.701 dev= -0.008 sig.= 0.000
A     62 ASN C   . - A     63 ASP O   . mod.= 3.864 id.= 3.862 dev= -0.002 sig.= 0.000
A     62 ASN O   . - A     63 ASP CA  . mod.= 2.813 id.= 2.820 dev=  0.007 sig.= 0.000
A     62 ASN O   . - A     63 ASP O   . mod.= 4.622 id.= 4.617 dev= -0.005 sig.= 0.000
A     63 ASP N   . - A     65 ASP N   . mod.= 5.316 id.= 5.319 dev=  0.003 sig.= 0.000
A     63 ASP CA  . - A     64 TYR C   . mod.= 4.646 id.= 4.643 dev= -0.003 sig.= 0.000
A     63 ASP CA  . - A     65 ASP N   . mod.= 4.313 id.= 4.310 dev= -0.003 sig.= 0.000
A     63 ASP CA  . - A     65 ASP CA  . mod.= 5.511 id.= 5.517 dev=  0.006 sig.= 0.000
A     63 ASP C   . - A     65 ASP CA  . mod.= 4.666 id.= 4.672 dev=  0.006 sig.= 0.000
A     63 ASP C   . - A     65 ASP O   . mod.= 5.204 id.= 5.206 dev=  0.003 sig.= 0.000
A     63 ASP O   . - A     64 TYR CA  . mod.= 2.809 id.= 2.811 dev=  0.002 sig.= 0.000
A     63 ASP O   . - A     64 TYR C   . mod.= 3.680 id.= 3.677 dev= -0.003 sig.= 0.000
A     63 ASP O   . - A     65 ASP N   . mod.= 3.661 id.= 3.658 dev= -0.003 sig.= 0.000
A     63 ASP O   . - A     65 ASP C   . mod.= 4.973 id.= 4.970 dev= -0.003 sig.= 0.000
A     64 TYR N   . - A     65 ASP N   . mod.= 2.631 id.= 2.629 dev= -0.002 sig.= 0.000
A     64 TYR N   . - A     65 ASP C   . mod.= 4.763 id.= 4.760 dev= -0.003 sig.= 0.000
A     64 TYR N   . - A     65 ASP O   . mod.= 5.182 id.= 5.180 dev= -0.003 sig.= 0.000
A     64 TYR N   . - A     66 PRO N   . mod.= 5.470 id.= 5.467 dev= -0.003 sig.= 0.000
A     64 TYR CA  . - A     65 ASP O   . mod.= 5.305 id.= 5.307 dev=  0.002 sig.= 0.000
A     64 TYR O   . - A     65 ASP CA  . mod.= 2.774 id.= 2.771 dev= -0.003 sig.= 0.000
A     64 TYR O   . - A     65 ASP C   . mod.= 3.845 id.= 3.847 dev=  0.002 sig.= 0.000
A     64 TYR O   . - A     65 ASP O   . mod.= 4.935 id.= 4.939 dev=  0.004 sig.= 0.000
A     64 TYR O   . - A     66 PRO N   . mod.= 3.993 id.= 3.995 dev=  0.002 sig.= 0.000
A     64 TYR O   . - A     66 PRO CA  . mod.= 5.374 id.= 5.379 dev=  0.005 sig.= 0.000
A     65 ASP N   . - A     65 ASP O   . mod.= 3.106 id.= 3.103 dev= -0.003 sig.= 0.000
A     65 ASP N   . - A     66 PRO N   . mod.= 3.148 id.= 3.145 dev= -0.002 sig.= 0.000
A     65 ASP CA  . - A     66 PRO CA  . mod.= 3.807 id.= 3.805 dev= -0.002 sig.= 0.000
A     65 ASP CA  . - A     66 PRO O   . mod.= 5.713 id.= 5.711 dev= -0.002 sig.= 0.000
A     65 ASP CA  . - A     67 MET N   . mod.= 4.381 id.= 4.383 dev=  0.002 sig.= 0.000
A     65 ASP C   . - A     67 MET C   . mod.= 5.515 id.= 5.518 dev=  0.004 sig.= 0.000
A     65 ASP C   . - A     67 MET O   . mod.= 5.374 id.= 5.378 dev=  0.004 sig.= 0.000
A     65 ASP O   . - A     66 PRO CA  . mod.= 2.747 id.= 2.754 dev=  0.007 sig.= 0.000
A     65 ASP O   . - A     67 MET CA  . mod.= 4.372 id.= 4.369 dev= -0.003 sig.= 0.000
A     66 PRO N   . - A     66 PRO O   . mod.= 3.497 id.= 3.500 dev=  0.003 sig.= 0.000
A     66 PRO N   . - A     67 MET C   . mod.= 5.282 id.= 5.286 dev=  0.005 sig.= 0.000
A     66 PRO N   . - A     67 MET O   . mod.= 5.280 id.= 5.284 dev=  0.005 sig.= 0.000
A     66 PRO CA  . - A     67 MET C   . mod.= 4.474 id.= 4.477 dev=  0.003 sig.= 0.000
A     66 PRO CA  . - A     67 MET O   . mod.= 4.376 id.= 4.379 dev=  0.003 sig.= 0.000
A     66 PRO CA  . - A    101 ALA C   . mod.= 5.602 id.= 5.596 dev= -0.006 sig.= 0.000
A     66 PRO CA  . - A    101 ALA O   . mod.= 5.135 id.= 5.132 dev= -0.003 sig.= 0.000
A     66 PRO CA  . - A    103 ARG CA  . mod.= 5.173 id.= 5.178 dev=  0.005 sig.= 0.000
A     66 PRO O   . - A     67 MET CA  . mod.= 2.863 id.= 2.861 dev= -0.002 sig.= 0.000
A     66 PRO O   . - A    101 ALA CA  . mod.= 5.531 id.= 5.527 dev= -0.004 sig.= 0.000
A     66 PRO O   . - A    103 ARG CA  . mod.= 5.492 id.= 5.494 dev=  0.003 sig.= 0.000
A     67 MET CA  . - A     68 ASP CA  . mod.= 3.797 id.= 3.799 dev=  0.003 sig.= 0.000
A     67 MET CA  . - A     68 ASP C   . mod.= 4.512 id.= 4.514 dev=  0.002 sig.= 0.000
A     67 MET CA  . - A     68 ASP O   . mod.= 4.734 id.= 4.739 dev=  0.006 sig.= 0.000
A     67 MET CA  . - A     69 LEU N   . mod.= 5.391 id.= 5.394 dev=  0.003 sig.= 0.000
A     67 MET C   . - A     68 ASP O   . mod.= 3.714 id.= 3.717 dev=  0.003 sig.= 0.000
A     67 MET O   . - A     68 ASP O   . mod.= 4.193 id.= 4.198 dev=  0.004 sig.= 0.000
A     67 MET O   . - A     69 LEU N   . mod.= 3.785 id.= 3.790 dev=  0.005 sig.= 0.000
A     67 MET O   . - A     69 LEU CA  . mod.= 4.954 id.= 4.959 dev=  0.005 sig.= 0.000
A     68 ASP N   . - A     68 ASP O   . mod.= 2.877 id.= 2.879 dev=  0.003 sig.= 0.000
A     68 ASP CA  . - A     69 LEU CA  . mod.= 3.794 id.= 3.791 dev= -0.003 sig.= 0.000
A     68 ASP CA  . - A     70 ASN CA  . mod.= 5.551 id.= 5.554 dev=  0.003 sig.= 0.000
A     68 ASP CA  . - A     71 ASN N   . mod.= 5.466 id.= 5.472 dev=  0.006 sig.= 0.000
A     68 ASP C   . - A     70 ASN C   . mod.= 5.361 id.= 5.365 dev=  0.003 sig.= 0.000
A     68 ASP C   . - A     71 ASN N   . mod.= 5.094 id.= 5.102 dev=  0.007 sig.= 0.000
A     68 ASP O   . - A     69 LEU CA  . mod.= 2.755 id.= 2.749 dev= -0.006 sig.= 0.000
A     68 ASP O   . - A     70 ASN CA  . mod.= 5.408 id.= 5.405 dev= -0.002 sig.= 0.000
A     68 ASP O   . - A     70 ASN C   . mod.= 5.673 id.= 5.669 dev= -0.004 sig.= 0.000
A     68 ASP O   . - A    215 THR CA  . mod.= 5.720 id.= 5.735 dev=  0.015 sig.= 0.000
A     69 LEU CA  . - A     70 ASN O   . mod.= 5.408 id.= 5.411 dev=  0.003 sig.= 0.000
A     69 LEU C   . - A     70 ASN C   . mod.= 3.301 id.= 3.298 dev= -0.003 sig.= 0.000
A     69 LEU O   . - A     70 ASN CA  . mod.= 2.770 id.= 2.760 dev= -0.010 sig.= 0.000
A     69 LEU O   . - A     70 ASN C   . mod.= 3.411 id.= 3.406 dev= -0.005 sig.= 0.000
A     70 ASN N   . - A     71 ASN N   . mod.= 3.050 id.= 3.055 dev=  0.005 sig.= 0.000
A     70 ASN N   . - A     71 ASN CA  . mod.= 4.502 id.= 4.507 dev=  0.005 sig.= 0.000
A     70 ASN N   . - A     71 ASN C   . mod.= 5.423 id.= 5.419 dev= -0.005 sig.= 0.000
A     70 ASN N   . - A     72 HIS N   . mod.= 5.337 id.= 5.335 dev= -0.002 sig.= 0.000
A     70 ASN CA  . - A     71 ASN C   . mod.= 4.798 id.= 4.795 dev= -0.003 sig.= 0.000
A     70 ASN C   . - A     71 ASN C   . mod.= 3.703 id.= 3.700 dev= -0.003 sig.= 0.000
A     70 ASN C   . - A     71 ASN O   . mod.= 4.843 id.= 4.840 dev= -0.003 sig.= 0.000
A     70 ASN C   . - A     72 HIS N   . mod.= 3.727 id.= 3.729 dev=  0.003 sig.= 0.000
A     70 ASN C   . - A     72 HIS CA  . mod.= 5.122 id.= 5.126 dev=  0.004 sig.= 0.000
A     70 ASN O   . - A     71 ASN CA  . mod.= 3.095 id.= 3.104 dev=  0.009 sig.= 0.000
A     70 ASN O   . - A     71 ASN O   . mod.= 5.319 id.= 5.323 dev=  0.004 sig.= 0.000
A     70 ASN O   . - A     72 HIS N   . mod.= 4.308 id.= 4.302 dev= -0.006 sig.= 0.000
A     70 ASN O   . - A     72 HIS CA  . mod.= 5.663 id.= 5.656 dev= -0.007 sig.= 0.000
A     71 ASN N   . - A     71 ASN O   . mod.= 3.613 id.= 3.609 dev= -0.004 sig.= 0.000
A     71 ASN N   . - A     72 HIS N   . mod.= 2.765 id.= 2.767 dev=  0.002 sig.= 0.000
A     71 ASN N   . - A     72 HIS CA  . mod.= 4.220 id.= 4.223 dev=  0.003 sig.= 0.000
A     71 ASN CA  . - A     72 HIS CA  . mod.= 3.846 id.= 3.849 dev=  0.002 sig.= 0.000
A     71 ASN CA  . - A     73 GLY CA  . mod.= 5.863 id.= 5.865 dev=  0.002 sig.= 0.000
A     71 ASN CA  . - A     74 THR N   . mod.= 4.903 id.= 4.905 dev=  0.002 sig.= 0.000
A     71 ASN CA  . - A    213 THR O   . mod.= 5.962 id.= 5.960 dev= -0.002 sig.= 0.000
A     71 ASN CA  . - A    214 ILE CA  . mod.= 4.919 id.= 4.916 dev= -0.003 sig.= 0.000
A     71 ASN CA  . - A    214 ILE C   . mod.= 5.306 id.= 5.303 dev= -0.003 sig.= 0.000
A     71 ASN CA  . - A    215 THR N   . mod.= 4.658 id.= 4.666 dev=  0.008 sig.= 0.000
A     71 ASN CA  . - A    215 THR CA  . mod.= 5.605 id.= 5.607 dev=  0.002 sig.= 0.000
A     71 ASN C   . - A     73 GLY N   . mod.= 3.536 id.= 3.534 dev= -0.002 sig.= 0.000
A     71 ASN C   . - A     74 THR CA  . mod.= 4.630 id.= 4.626 dev= -0.004 sig.= 0.000
A     71 ASN C   . - A    215 THR N   . mod.= 5.516 id.= 5.522 dev=  0.006 sig.= 0.000
A     71 ASN O   . - A     72 HIS CA  . mod.= 2.877 id.= 2.883 dev=  0.006 sig.= 0.000
A     71 ASN O   . - A     74 THR CA  . mod.= 3.789 id.= 3.787 dev= -0.002 sig.= 0.000
A     71 ASN O   . - A    215 THR N   . mod.= 5.227 id.= 5.232 dev=  0.005 sig.= 0.000
A     72 HIS N   . - A     73 GLY CA  . mod.= 4.359 id.= 4.361 dev=  0.002 sig.= 0.000
A     72 HIS CA  . - A     73 GLY CA  . mod.= 3.807 id.= 3.803 dev= -0.004 sig.= 0.000
A     72 HIS CA  . - A     73 GLY O   . mod.= 5.514 id.= 5.512 dev= -0.002 sig.= 0.000
A     72 HIS CA  . - A     75 HIS CA  . mod.= 5.188 id.= 5.192 dev=  0.004 sig.= 0.000
A     72 HIS O   . - A     73 GLY CA  . mod.= 2.831 id.= 2.833 dev=  0.002 sig.= 0.000
A     72 HIS O   . - A     73 GLY C   . mod.= 3.170 id.= 3.173 dev=  0.003 sig.= 0.000
A     72 HIS O   . - A     75 HIS N   . mod.= 3.270 id.= 3.267 dev= -0.003 sig.= 0.000
A     72 HIS O   . - A     75 HIS C   . mod.= 3.849 id.= 3.847 dev= -0.002 sig.= 0.000
A     73 GLY N   . - A     76 VAL CA  . mod.= 5.620 id.= 5.622 dev=  0.002 sig.= 0.000
A     73 GLY C   . - A     76 VAL CA  . mod.= 4.661 id.= 4.663 dev=  0.003 sig.= 0.000
A     73 GLY C   . - A     78 GLY N   . mod.= 5.998 id.= 5.995 dev= -0.003 sig.= 0.000
A     73 GLY O   . - A     76 VAL CA  . mod.= 4.063 id.= 4.065 dev=  0.002 sig.= 0.000
A     74 THR N   . - A     77 ALA N   . mod.= 4.797 id.= 4.794 dev= -0.002 sig.= 0.000
A     74 THR N   . - A     77 ALA CA  . mod.= 5.523 id.= 5.521 dev= -0.002 sig.= 0.000
A     74 THR CA  . - A     75 HIS C   . mod.= 4.489 id.= 4.492 dev=  0.002 sig.= 0.000
A     74 THR CA  . - A     76 VAL N   . mod.= 4.462 id.= 4.464 dev=  0.002 sig.= 0.000
A     74 THR CA  . - A     76 VAL CA  . mod.= 5.549 id.= 5.552 dev=  0.003 sig.= 0.000
A     74 THR CA  . - A     76 VAL C   . mod.= 5.613 id.= 5.616 dev=  0.002 sig.= 0.000
A     74 THR CA  . - A     77 ALA C   . mod.= 5.720 id.= 5.718 dev= -0.002 sig.= 0.000
A     74 THR CA  . - A    213 THR C   . mod.= 5.084 id.= 5.080 dev= -0.004 sig.= 0.000
A     74 THR CA  . - A    213 THR O   . mod.= 4.220 id.= 4.217 dev= -0.004 sig.= 0.000
A     74 THR CA  . - A    214 ILE N   . mod.= 5.642 id.= 5.638 dev= -0.005 sig.= 0.000
A     74 THR CA  . - A    214 ILE CA  . mod.= 5.286 id.= 5.279 dev= -0.006 sig.= 0.000
A     74 THR CA  . - A    214 ILE C   . mod.= 5.688 id.= 5.691 dev=  0.003 sig.= 0.000
A     74 THR C   . - A     77 ALA C   . mod.= 4.902 id.= 4.898 dev= -0.004 sig.= 0.000
A     74 THR C   . - A     78 GLY N   . mod.= 4.161 id.= 4.159 dev= -0.002 sig.= 0.000
A     74 THR C   . - A     78 GLY CA  . mod.= 5.011 id.= 5.008 dev= -0.003 sig.= 0.000
A     74 THR C   . - A    213 THR C   . mod.= 4.277 id.= 4.274 dev= -0.003 sig.= 0.000
A     74 THR C   . - A    213 THR O   . mod.= 3.282 id.= 3.280 dev= -0.002 sig.= 0.000
A     74 THR C   . - A    214 ILE N   . mod.= 5.132 id.= 5.129 dev= -0.003 sig.= 0.000
A     74 THR C   . - A    214 ILE CA  . mod.= 5.079 id.= 5.076 dev= -0.003 sig.= 0.000
A     74 THR C   . - A    214 ILE C   . mod.= 5.818 id.= 5.823 dev=  0.005 sig.= 0.000
A     74 THR O   . - A     75 HIS C   . mod.= 3.192 id.= 3.195 dev=  0.003 sig.= 0.000
A     74 THR O   . - A     76 VAL N   . mod.= 3.697 id.= 3.699 dev=  0.003 sig.= 0.000
A     74 THR O   . - A     77 ALA CA  . mod.= 3.920 id.= 3.917 dev= -0.003 sig.= 0.000
A     74 THR O   . - A     77 ALA C   . mod.= 3.950 id.= 3.944 dev= -0.006 sig.= 0.000
A     74 THR O   . - A     77 ALA O   . mod.= 5.124 id.= 5.120 dev= -0.004 sig.= 0.000
A     74 THR O   . - A     78 GLY N   . mod.= 3.077 id.= 3.074 dev= -0.002 sig.= 0.000
A     74 THR O   . - A     78 GLY CA  . mod.= 3.827 id.= 3.823 dev= -0.003 sig.= 0.000
A     74 THR O   . - A    213 THR C   . mod.= 4.206 id.= 4.202 dev= -0.004 sig.= 0.000
A     74 THR O   . - A    213 THR O   . mod.= 3.395 id.= 3.393 dev= -0.002 sig.= 0.000
A     74 THR O   . - A    214 ILE N   . mod.= 5.237 id.= 5.234 dev= -0.003 sig.= 0.000
A     74 THR O   . - A    214 ILE CA  . mod.= 5.517 id.= 5.514 dev= -0.003 sig.= 0.000
A     75 HIS N   . - A     78 GLY CA  . mod.= 5.606 id.= 5.604 dev= -0.002 sig.= 0.000
A     75 HIS CA  . - A     76 VAL C   . mod.= 4.459 id.= 4.461 dev=  0.002 sig.= 0.000
A     75 HIS CA  . - A     77 ALA C   . mod.= 5.610 id.= 5.606 dev= -0.004 sig.= 0.000
A     75 HIS CA  . - A     78 GLY N   . mod.= 4.678 id.= 4.673 dev= -0.005 sig.= 0.000
A     75 HIS CA  . - A     78 GLY CA  . mod.= 5.242 id.= 5.237 dev= -0.005 sig.= 0.000
A     75 HIS CA  . - A     78 GLY C   . mod.= 5.918 id.= 5.915 dev= -0.003 sig.= 0.000
A     75 HIS CA  . - A    212 SER CA  . mod.= 5.108 id.= 5.106 dev= -0.002 sig.= 0.000
A     75 HIS CA  . - A    212 SER O   . mod.= 5.471 id.= 5.467 dev= -0.004 sig.= 0.000
A     75 HIS C   . - A     76 VAL C   . mod.= 3.107 id.= 3.110 dev=  0.004 sig.= 0.000
A     75 HIS C   . - A     77 ALA CA  . mod.= 4.532 id.= 4.535 dev=  0.003 sig.= 0.000
A     75 HIS C   . - A     79 ILE CA  . mod.= 5.318 id.= 5.322 dev=  0.004 sig.= 0.000
A     75 HIS C   . - A    212 SER C   . mod.= 5.575 id.= 5.578 dev=  0.002 sig.= 0.000
A     75 HIS O   . - A     76 VAL C   . mod.= 3.124 id.= 3.127 dev=  0.003 sig.= 0.000
A     75 HIS O   . - A     78 GLY N   . mod.= 3.466 id.= 3.462 dev= -0.004 sig.= 0.000
A     75 HIS O   . - A     78 GLY CA  . mod.= 3.881 id.= 3.877 dev= -0.004 sig.= 0.000
A     75 HIS O   . - A     78 GLY C   . mod.= 4.041 id.= 4.037 dev= -0.004 sig.= 0.000
A     75 HIS O   . - A     78 GLY O   . mod.= 5.239 id.= 5.235 dev= -0.004 sig.= 0.000
A     75 HIS O   . - A     79 ILE CA  . mod.= 4.174 id.= 4.178 dev=  0.004 sig.= 0.000
A     75 HIS O   . - A     79 ILE C   . mod.= 5.413 id.= 5.419 dev=  0.006 sig.= 0.000
A     75 HIS O   . - A     80 ALA N   . mod.= 5.436 id.= 5.440 dev=  0.004 sig.= 0.000
A     75 HIS O   . - A    212 SER CA  . mod.= 4.729 id.= 4.726 dev= -0.002 sig.= 0.000
A     76 VAL N   . - A     77 ALA CA  . mod.= 4.199 id.= 4.203 dev=  0.003 sig.= 0.000
A     76 VAL N   . - A     79 ILE CA  . mod.= 5.830 id.= 5.833 dev=  0.003 sig.= 0.000
A     76 VAL N   . - A    213 THR O   . mod.= 5.441 id.= 5.444 dev=  0.002 sig.= 0.000
A     76 VAL N   . - A    226 SER O   . mod.= 5.702 id.= 5.717 dev=  0.015 sig.= 0.000
A     76 VAL CA  . - A     77 ALA CA  . mod.= 3.847 id.= 3.853 dev=  0.006 sig.= 0.000
A     76 VAL CA  . - A     77 ALA C   . mod.= 4.541 id.= 4.544 dev=  0.003 sig.= 0.000
A     76 VAL CA  . - A     77 ALA O   . mod.= 5.425 id.= 5.428 dev=  0.002 sig.= 0.000
A     76 VAL CA  . - A     78 GLY N   . mod.= 4.471 id.= 4.469 dev= -0.002 sig.= 0.000
A     76 VAL CA  . - A     78 GLY C   . mod.= 5.674 id.= 5.672 dev= -0.002 sig.= 0.000
A     76 VAL CA  . - A     79 ILE N   . mod.= 4.740 id.= 4.737 dev= -0.003 sig.= 0.000
A     76 VAL CA  . - A     80 ALA N   . mod.= 5.490 id.= 5.494 dev=  0.004 sig.= 0.000
A     76 VAL CA  . - A    226 SER O   . mod.= 4.865 id.= 4.871 dev=  0.006 sig.= 0.000
A     76 VAL CA  . - A    227 MET CA  . mod.= 5.994 id.= 5.972 dev= -0.022 sig.= 0.000
A     76 VAL C   . - A     77 ALA C   . mod.= 3.147 id.= 3.150 dev=  0.002 sig.= 0.000
A     76 VAL C   . - A     80 ALA N   . mod.= 4.337 id.= 4.339 dev=  0.002 sig.= 0.000
A     76 VAL C   . - A     80 ALA CA  . mod.= 5.228 id.= 5.230 dev=  0.003 sig.= 0.000
A     76 VAL C   . - A    230 PRO CA  . mod.= 5.690 id.= 5.687 dev= -0.003 sig.= 0.000
A     76 VAL O   . - A     77 ALA CA  . mod.= 2.886 id.= 2.890 dev=  0.004 sig.= 0.000
A     76 VAL O   . - A     77 ALA C   . mod.= 3.144 id.= 3.146 dev=  0.003 sig.= 0.000
A     76 VAL O   . - A     78 GLY N   . mod.= 3.519 id.= 3.515 dev= -0.004 sig.= 0.000
A     76 VAL O   . - A     78 GLY CA  . mod.= 4.468 id.= 4.465 dev= -0.003 sig.= 0.000
A     76 VAL O   . - A     78 GLY C   . mod.= 4.226 id.= 4.222 dev= -0.004 sig.= 0.000
A     76 VAL O   . - A     78 GLY O   . mod.= 5.122 id.= 5.117 dev= -0.005 sig.= 0.000
A     76 VAL O   . - A     79 ILE N   . mod.= 3.329 id.= 3.323 dev= -0.006 sig.= 0.000
A     76 VAL O   . - A     79 ILE CA  . mod.= 3.762 id.= 3.756 dev= -0.006 sig.= 0.000
A     76 VAL O   . - A     79 ILE C   . mod.= 3.970 id.= 3.964 dev= -0.005 sig.= 0.000
A     76 VAL O   . - A     80 ALA CA  . mod.= 4.076 id.= 4.079 dev=  0.003 sig.= 0.000
A     76 VAL O   . - A     80 ALA C   . mod.= 5.254 id.= 5.260 dev=  0.006 sig.= 0.000
A     76 VAL O   . - A     81 ALA N   . mod.= 5.224 id.= 5.229 dev=  0.005 sig.= 0.000
A     76 VAL O   . - A    230 PRO C   . mod.= 5.414 id.= 5.406 dev= -0.008 sig.= 0.000
A     76 VAL O   . - A    230 PRO O   . mod.= 5.520 id.= 5.516 dev= -0.004 sig.= 0.000
A     77 ALA N   . - A     78 GLY N   . mod.= 2.797 id.= 2.794 dev= -0.002 sig.= 0.000
A     77 ALA CA  . - A     78 GLY C   . mod.= 4.465 id.= 4.468 dev=  0.003 sig.= 0.000
A     77 ALA CA  . - A     79 ILE C   . mod.= 5.605 id.= 5.603 dev= -0.002 sig.= 0.000
A     77 ALA CA  . - A     80 ALA CA  . mod.= 5.253 id.= 5.250 dev= -0.003 sig.= 0.000
A     77 ALA CA  . - A     81 ALA C   . mod.= 5.964 id.= 5.961 dev= -0.003 sig.= 0.000
A     77 ALA C   . - A     78 GLY C   . mod.= 3.109 id.= 3.112 dev=  0.003 sig.= 0.000
A     77 ALA C   . - A     79 ILE O   . mod.= 5.705 id.= 5.707 dev=  0.002 sig.= 0.000
A     77 ALA C   . - A     81 ALA CA  . mod.= 4.944 id.= 4.941 dev= -0.003 sig.= 0.000
A     77 ALA C   . - A     81 ALA C   . mod.= 4.747 id.= 4.744 dev= -0.003 sig.= 0.000
A     77 ALA C   . - A     82 ALA CA  . mod.= 5.329 id.= 5.326 dev= -0.003 sig.= 0.000
A     77 ALA O   . - A     78 GLY C   . mod.= 3.107 id.= 3.114 dev=  0.006 sig.= 0.000
A     77 ALA O   . - A     78 GLY O   . mod.= 3.489 id.= 3.492 dev=  0.003 sig.= 0.000
A     77 ALA O   . - A     79 ILE N   . mod.= 3.494 id.= 3.498 dev=  0.003 sig.= 0.000
A     77 ALA O   . - A     80 ALA N   . mod.= 3.387 id.= 3.385 dev= -0.002 sig.= 0.000
A     77 ALA O   . - A     80 ALA CA  . mod.= 3.828 id.= 3.823 dev= -0.005 sig.= 0.000
A     77 ALA O   . - A     80 ALA C   . mod.= 3.855 id.= 3.851 dev= -0.004 sig.= 0.000
A     77 ALA O   . - A     80 ALA O   . mod.= 5.045 id.= 5.041 dev= -0.004 sig.= 0.000
A     77 ALA O   . - A     81 ALA CA  . mod.= 3.736 id.= 3.734 dev= -0.002 sig.= 0.000
A     77 ALA O   . - A     81 ALA O   . mod.= 4.317 id.= 4.319 dev=  0.002 sig.= 0.000
A     77 ALA O   . - A     82 ALA N   . mod.= 3.805 id.= 3.808 dev=  0.003 sig.= 0.000
A     77 ALA O   . - A     82 ALA CA  . mod.= 4.695 id.= 4.699 dev=  0.004 sig.= 0.000
A     78 GLY N   . - A     80 ALA N   . mod.= 4.395 id.= 4.392 dev= -0.003 sig.= 0.000
A     78 GLY N   . - A     80 ALA CA  . mod.= 5.388 id.= 5.384 dev= -0.004 sig.= 0.000
A     78 GLY N   . - A     80 ALA C   . mod.= 5.701 id.= 5.698 dev= -0.003 sig.= 0.000
A     78 GLY N   . - A     81 ALA N   . mod.= 4.869 id.= 4.866 dev= -0.003 sig.= 0.000
A     78 GLY N   . - A     81 ALA CA  . mod.= 5.653 id.= 5.648 dev= -0.005 sig.= 0.000
A     78 GLY N   . - A     81 ALA C   . mod.= 5.254 id.= 5.250 dev= -0.004 sig.= 0.000
A     78 GLY N   . - A     81 ALA O   . mod.= 5.888 id.= 5.886 dev= -0.002 sig.= 0.000
A     78 GLY N   . - A     82 ALA N   . mod.= 4.845 id.= 4.843 dev= -0.002 sig.= 0.000
A     78 GLY N   . - A     82 ALA CA  . mod.= 5.232 id.= 5.228 dev= -0.004 sig.= 0.000
A     78 GLY N   . - A    213 THR N   . mod.= 5.538 id.= 5.535 dev= -0.003 sig.= 0.000
A     78 GLY N   . - A    213 THR O   . mod.= 5.787 id.= 5.782 dev= -0.005 sig.= 0.000
A     78 GLY CA  . - A     79 ILE CA  . mod.= 3.832 id.= 3.836 dev=  0.004 sig.= 0.000
A     78 GLY CA  . - A     79 ILE C   . mod.= 4.515 id.= 4.519 dev=  0.004 sig.= 0.000
A     78 GLY CA  . - A     79 ILE O   . mod.= 5.343 id.= 5.348 dev=  0.005 sig.= 0.000
A     78 GLY CA  . - A     80 ALA CA  . mod.= 5.559 id.= 5.556 dev= -0.003 sig.= 0.000
A     78 GLY CA  . - A     80 ALA C   . mod.= 5.654 id.= 5.652 dev= -0.002 sig.= 0.000
A     78 GLY CA  . - A     81 ALA N   . mod.= 4.758 id.= 4.755 dev= -0.003 sig.= 0.000
A     78 GLY CA  . - A     81 ALA CA  . mod.= 5.393 id.= 5.387 dev= -0.006 sig.= 0.000
A     78 GLY CA  . - A     81 ALA C   . mod.= 4.820 id.= 4.814 dev= -0.007 sig.= 0.000
A     78 GLY CA  . - A     81 ALA O   . mod.= 5.566 id.= 5.560 dev= -0.006 sig.= 0.000
A     78 GLY CA  . - A     82 ALA N   . mod.= 4.071 id.= 4.067 dev= -0.005 sig.= 0.000
A     78 GLY CA  . - A     82 ALA CA  . mod.= 4.281 id.= 4.274 dev= -0.007 sig.= 0.000
A     78 GLY CA  . - A     82 ALA C   . mod.= 5.812 id.= 5.808 dev= -0.004 sig.= 0.000
A     78 GLY CA  . - A     92 GLY CA  . mod.= 5.908 id.= 5.905 dev= -0.003 sig.= 0.000
A     78 GLY CA  . - A    212 SER CA  . mod.= 5.588 id.= 5.580 dev= -0.008 sig.= 0.000
A     78 GLY CA  . - A    212 SER C   . mod.= 5.794 id.= 5.785 dev= -0.009 sig.= 0.000
A     78 GLY CA  . - A    213 THR N   . mod.= 4.876 id.= 4.871 dev= -0.005 sig.= 0.000
A     78 GLY CA  . - A    213 THR CA  . mod.= 5.493 id.= 5.489 dev= -0.004 sig.= 0.000
A     78 GLY CA  . - A    213 THR O   . mod.= 5.824 id.= 5.817 dev= -0.007 sig.= 0.000
A     78 GLY C   . - A     80 ALA N   . mod.= 3.412 id.= 3.410 dev= -0.002 sig.= 0.000
A     78 GLY C   . - A     80 ALA CA  . mod.= 4.593 id.= 4.590 dev= -0.003 sig.= 0.000
A     78 GLY C   . - A     80 ALA O   . mod.= 5.780 id.= 5.778 dev= -0.002 sig.= 0.000
A     78 GLY C   . - A     91 ALA C   . mod.= 5.880 id.= 5.877 dev= -0.004 sig.= 0.000
A     78 GLY C   . - A     91 ALA O   . mod.= 5.452 id.= 5.450 dev= -0.002 sig.= 0.000
A     78 GLY C   . - A     92 GLY N   . mod.= 5.640 id.= 5.637 dev= -0.004 sig.= 0.000
A     78 GLY C   . - A     92 GLY CA  . mod.= 4.816 id.= 4.812 dev= -0.004 sig.= 0.000
A     78 GLY C   . - A     92 GLY C   . mod.= 5.919 id.= 5.915 dev= -0.004 sig.= 0.000
A     78 GLY C   . - A     93 MET N   . mod.= 5.836 id.= 5.832 dev= -0.004 sig.= 0.000
A     78 GLY C   . - A    212 SER CA  . mod.= 5.611 id.= 5.603 dev= -0.008 sig.= 0.000
A     78 GLY C   . - A    213 THR N   . mod.= 5.536 id.= 5.534 dev= -0.003 sig.= 0.000
A     78 GLY O   . - A     79 ILE C   . mod.= 3.071 id.= 3.075 dev=  0.003 sig.= 0.000
A     78 GLY O   . - A     79 ILE O   . mod.= 3.445 id.= 3.448 dev=  0.004 sig.= 0.000
A     78 GLY O   . - A     80 ALA N   . mod.= 3.514 id.= 3.512 dev= -0.002 sig.= 0.000
A     78 GLY O   . - A     80 ALA CA  . mod.= 4.470 id.= 4.467 dev= -0.003 sig.= 0.000
A     78 GLY O   . - A     80 ALA O   . mod.= 5.152 id.= 5.150 dev= -0.003 sig.= 0.000
A     78 GLY O   . - A     81 ALA N   . mod.= 3.603 id.= 3.600 dev= -0.003 sig.= 0.000
A     78 GLY O   . - A     81 ALA CA  . mod.= 4.227 id.= 4.225 dev= -0.002 sig.= 0.000
A     78 GLY O   . - A     81 ALA C   . mod.= 3.956 id.= 3.954 dev= -0.002 sig.= 0.000
A     78 GLY O   . - A     81 ALA O   . mod.= 5.035 id.= 5.033 dev= -0.002 sig.= 0.000
A     78 GLY O   . - A     90 ILE O   . mod.= 5.995 id.= 5.993 dev= -0.002 sig.= 0.000
A     78 GLY O   . - A     92 GLY C   . mod.= 4.795 id.= 4.793 dev= -0.002 sig.= 0.000
A     78 GLY O   . - A     92 GLY O   . mod.= 5.908 id.= 5.903 dev= -0.006 sig.= 0.000
A     78 GLY O   . - A     93 MET N   . mod.= 4.862 id.= 4.860 dev= -0.002 sig.= 0.000
A     79 ILE N   . - A     79 ILE O   . mod.= 3.517 id.= 3.521 dev=  0.005 sig.= 0.000
A     79 ILE N   . - A     80 ALA C   . mod.= 4.828 id.= 4.831 dev=  0.003 sig.= 0.000
A     79 ILE N   . - A    213 THR N   . mod.= 5.839 id.= 5.842 dev=  0.003 sig.= 0.000
A     79 ILE CA  . - A     80 ALA C   . mod.= 4.532 id.= 4.535 dev=  0.002 sig.= 0.000
A     79 ILE CA  . - A     93 MET N   . mod.= 5.180 id.= 5.178 dev= -0.002 sig.= 0.000
A     79 ILE CA  . - A    211 VAL O   . mod.= 5.964 id.= 5.968 dev=  0.004 sig.= 0.000
A     79 ILE CA  . - A    230 PRO CA  . mod.= 5.922 id.= 5.934 dev=  0.012 sig.= 0.000
A     79 ILE CA  . - A    230 PRO C   . mod.= 5.613 id.= 5.619 dev=  0.005 sig.= 0.000
A     79 ILE CA  . - A    230 PRO O   . mod.= 5.550 id.= 5.554 dev=  0.004 sig.= 0.000
A     79 ILE CA  . - A    231 HIS N   . mod.= 5.943 id.= 5.946 dev=  0.003 sig.= 0.000
A     79 ILE C   . - A     81 ALA N   . mod.= 3.524 id.= 3.522 dev= -0.002 sig.= 0.000
A     79 ILE C   . - A     82 ALA N   . mod.= 5.116 id.= 5.119 dev=  0.003 sig.= 0.000
A     79 ILE C   . - A     91 ALA O   . mod.= 5.517 id.= 5.522 dev=  0.006 sig.= 0.000
A     79 ILE C   . - A     92 GLY N   . mod.= 5.831 id.= 5.835 dev=  0.004 sig.= 0.000
A     79 ILE C   . - A     92 GLY CA  . mod.= 4.550 id.= 4.554 dev=  0.004 sig.= 0.000
A     79 ILE C   . - A     92 GLY C   . mod.= 4.833 id.= 4.835 dev=  0.003 sig.= 0.000
A     79 ILE C   . - A     94 ALA N   . mod.= 5.975 id.= 5.972 dev= -0.003 sig.= 0.000
A     79 ILE C   . - A    230 PRO CA  . mod.= 5.312 id.= 5.317 dev=  0.005 sig.= 0.000
A     79 ILE C   . - A    230 PRO O   . mod.= 4.435 id.= 4.433 dev= -0.002 sig.= 0.000
A     79 ILE C   . - A    231 HIS N   . mod.= 5.264 id.= 5.261 dev= -0.003 sig.= 0.000
A     79 ILE C   . - A    231 HIS CA  . mod.= 5.566 id.= 5.560 dev= -0.006 sig.= 0.000
A     79 ILE O   . - A     80 ALA CA  . mod.= 2.814 id.= 2.811 dev= -0.003 sig.= 0.000
A     79 ILE O   . - A     82 ALA N   . mod.= 5.168 id.= 5.171 dev=  0.004 sig.= 0.000
A     79 ILE O   . - A     91 ALA C   . mod.= 5.417 id.= 5.422 dev=  0.004 sig.= 0.000
A     79 ILE O   . - A     91 ALA O   . mod.= 4.791 id.= 4.795 dev=  0.004 sig.= 0.000
A     79 ILE O   . - A     92 GLY N   . mod.= 5.093 id.= 5.096 dev=  0.003 sig.= 0.000
A     79 ILE O   . - A     92 GLY CA  . mod.= 3.795 id.= 3.798 dev=  0.003 sig.= 0.000
A     79 ILE O   . - A     92 GLY O   . mod.= 4.961 id.= 4.959 dev= -0.002 sig.= 0.000
A     79 ILE O   . - A     93 MET N   . mod.= 2.960 id.= 2.957 dev= -0.003 sig.= 0.000
A     79 ILE O   . - A     93 MET CA  . mod.= 3.797 id.= 3.794 dev= -0.003 sig.= 0.000
A     79 ILE O   . - A     93 MET C   . mod.= 4.996 id.= 4.991 dev= -0.005 sig.= 0.000
A     79 ILE O   . - A     94 ALA N   . mod.= 5.088 id.= 5.083 dev= -0.005 sig.= 0.000
A     79 ILE O   . - A    230 PRO CA  . mod.= 5.855 id.= 5.865 dev=  0.010 sig.= 0.000
A     79 ILE O   . - A    230 PRO C   . mod.= 5.012 id.= 5.016 dev=  0.004 sig.= 0.000
A     79 ILE O   . - A    230 PRO O   . mod.= 4.530 id.= 4.532 dev=  0.002 sig.= 0.000
A     79 ILE O   . - A    231 HIS CA  . mod.= 5.313 id.= 5.311 dev= -0.003 sig.= 0.000
A     79 ILE O   . - A    234 GLY CA  . mod.= 5.691 id.= 5.688 dev= -0.004 sig.= 0.000
A     80 ALA N   . - A     80 ALA O   . mod.= 3.526 id.= 3.528 dev=  0.002 sig.= 0.000
A     80 ALA N   . - A    230 PRO CA  . mod.= 4.766 id.= 4.771 dev=  0.004 sig.= 0.000
A     80 ALA N   . - A    230 PRO C   . mod.= 4.464 id.= 4.461 dev= -0.003 sig.= 0.000
A     80 ALA N   . - A    231 HIS N   . mod.= 5.264 id.= 5.259 dev= -0.005 sig.= 0.000
A     80 ALA N   . - A    231 HIS CA  . mod.= 5.792 id.= 5.786 dev= -0.006 sig.= 0.000
A     80 ALA CA  . - A     93 MET CA  . mod.= 5.016 id.= 5.018 dev=  0.002 sig.= 0.000
A     80 ALA CA  . - A    230 PRO C   . mod.= 4.231 id.= 4.225 dev= -0.006 sig.= 0.000
A     80 ALA CA  . - A    230 PRO O   . mod.= 3.432 id.= 3.428 dev= -0.004 sig.= 0.000
A     80 ALA CA  . - A    231 HIS N   . mod.= 5.210 id.= 5.203 dev= -0.007 sig.= 0.000
A     80 ALA CA  . - A    231 HIS CA  . mod.= 5.638 id.= 5.632 dev= -0.006 sig.= 0.000
A     80 ALA C   . - A     81 ALA C   . mod.= 3.745 id.= 3.743 dev= -0.003 sig.= 0.000
A     80 ALA C   . - A     81 ALA O   . mod.= 4.703 id.= 4.699 dev= -0.004 sig.= 0.000
A     80 ALA C   . - A     82 ALA N   . mod.= 4.199 id.= 4.197 dev= -0.002 sig.= 0.000
A     80 ALA C   . - A     93 MET CA  . mod.= 4.424 id.= 4.428 dev=  0.004 sig.= 0.000
A     80 ALA C   . - A     93 MET O   . mod.= 5.882 id.= 5.880 dev= -0.002 sig.= 0.000
A     80 ALA C   . - A     94 ALA N   . mod.= 4.006 id.= 4.003 dev= -0.003 sig.= 0.000
A     80 ALA C   . - A     94 ALA CA  . mod.= 4.893 id.= 4.889 dev= -0.004 sig.= 0.000
A     80 ALA C   . - A    234 GLY N   . mod.= 5.090 id.= 5.088 dev= -0.002 sig.= 0.000
A     80 ALA C   . - A    234 GLY CA  . mod.= 4.501 id.= 4.498 dev= -0.003 sig.= 0.000
A     80 ALA C   . - A    234 GLY C   . mod.= 5.816 id.= 5.814 dev= -0.003 sig.= 0.000
A     80 ALA O   . - A     81 ALA O   . mod.= 5.112 id.= 5.108 dev= -0.004 sig.= 0.000
A     80 ALA O   . - A     82 ALA N   . mod.= 4.758 id.= 4.756 dev= -0.002 sig.= 0.000
A     80 ALA O   . - A     92 GLY C   . mod.= 4.095 id.= 4.097 dev=  0.002 sig.= 0.000
A     80 ALA O   . - A     93 MET CA  . mod.= 3.612 id.= 3.617 dev=  0.005 sig.= 0.000
A     80 ALA O   . - A     93 MET C   . mod.= 3.619 id.= 3.621 dev=  0.002 sig.= 0.000
A     80 ALA O   . - A     94 ALA CA  . mod.= 3.725 id.= 3.723 dev= -0.002 sig.= 0.000
A     80 ALA O   . - A     95 PRO N   . mod.= 5.287 id.= 5.284 dev= -0.004 sig.= 0.000
A     80 ALA O   . - A    234 GLY O   . mod.= 5.110 id.= 5.105 dev= -0.004 sig.= 0.000
A     81 ALA N   . - A     92 GLY O   . mod.= 5.742 id.= 5.739 dev= -0.003 sig.= 0.000
A     81 ALA N   . - A     93 MET N   . mod.= 4.239 id.= 4.236 dev= -0.002 sig.= 0.000
A     81 ALA N   . - A     94 ALA N   . mod.= 4.662 id.= 4.658 dev= -0.003 sig.= 0.000
A     81 ALA N   . - A     94 ALA CA  . mod.= 5.428 id.= 5.425 dev= -0.003 sig.= 0.000
A     81 ALA N   . - A     97 THR O   . mod.= 5.839 id.= 5.832 dev= -0.007 sig.= 0.000
A     81 ALA N   . - A    230 PRO O   . mod.= 5.803 id.= 5.798 dev= -0.005 sig.= 0.000
A     81 ALA N   . - A    234 GLY CA  . mod.= 5.780 id.= 5.774 dev= -0.006 sig.= 0.000
A     81 ALA CA  . - A     92 GLY CA  . mod.= 4.148 id.= 4.151 dev=  0.003 sig.= 0.000
A     81 ALA CA  . - A     92 GLY C   . mod.= 4.625 id.= 4.628 dev=  0.003 sig.= 0.000
A     81 ALA CA  . - A     93 MET N   . mod.= 4.504 id.= 4.507 dev=  0.003 sig.= 0.000
A     81 ALA CA  . - A     93 MET CA  . mod.= 5.505 id.= 5.512 dev=  0.007 sig.= 0.000
A     81 ALA CA  . - A     93 MET C   . mod.= 5.487 id.= 5.492 dev=  0.005 sig.= 0.000
A     81 ALA CA  . - A     94 ALA C   . mod.= 4.467 id.= 4.471 dev=  0.004 sig.= 0.000
A     81 ALA CA  . - A     94 ALA O   . mod.= 3.633 id.= 3.637 dev=  0.004 sig.= 0.000
A     81 ALA CA  . - A     97 THR C   . mod.= 5.655 id.= 5.648 dev= -0.007 sig.= 0.000
A     81 ALA CA  . - A     97 THR O   . mod.= 4.662 id.= 4.655 dev= -0.007 sig.= 0.000
A     81 ALA C   . - A     94 ALA O   . mod.= 4.405 id.= 4.407 dev=  0.002 sig.= 0.000
A     81 ALA O   . - A     82 ALA C   . mod.= 3.110 id.= 3.108 dev= -0.002 sig.= 0.000
A     81 ALA O   . - A     82 ALA O   . mod.= 3.243 id.= 3.241 dev= -0.003 sig.= 0.000
A     81 ALA O   . - A     83 GLU N   . mod.= 3.901 id.= 3.899 dev= -0.002 sig.= 0.000
A     81 ALA O   . - A     83 GLU CA  . mod.= 4.941 id.= 4.937 dev= -0.004 sig.= 0.000
A     81 ALA O   . - A     83 GLU C   . mod.= 5.845 id.= 5.841 dev= -0.003 sig.= 0.000
A     81 ALA O   . - A     92 GLY N   . mod.= 5.945 id.= 5.943 dev= -0.002 sig.= 0.000
A     81 ALA O   . - A     95 PRO CA  . mod.= 6.003 id.= 5.999 dev= -0.004 sig.= 0.000
A     81 ALA O   . - A     95 PRO O   . mod.= 5.381 id.= 5.378 dev= -0.003 sig.= 0.000
A     81 ALA O   . - A     97 THR C   . mod.= 5.295 id.= 5.297 dev=  0.002 sig.= 0.000
A     81 ALA O   . - A     97 THR O   . mod.= 4.086 id.= 4.089 dev=  0.003 sig.= 0.000
A     81 ALA O   . - A     98 ARG C   . mod.= 5.987 id.= 5.982 dev= -0.005 sig.= 0.000
A     81 ALA O   . - A     99 ILE N   . mod.= 5.991 id.= 5.983 dev= -0.008 sig.= 0.000
A     82 ALA N   . - A     83 GLU O   . mod.= 5.454 id.= 5.451 dev= -0.003 sig.= 0.000
A     82 ALA N   . - A     91 ALA O   . mod.= 5.571 id.= 5.574 dev=  0.003 sig.= 0.000
A     82 ALA N   . - A     92 GLY O   . mod.= 5.547 id.= 5.545 dev= -0.002 sig.= 0.000
A     82 ALA N   . - A     94 ALA N   . mod.= 5.999 id.= 5.996 dev= -0.003 sig.= 0.000
A     82 ALA CA  . - A     83 GLU O   . mod.= 4.338 id.= 4.333 dev= -0.005 sig.= 0.000
A     82 ALA CA  . - A     90 ILE O   . mod.= 5.075 id.= 5.073 dev= -0.002 sig.= 0.000
A     82 ALA CA  . - A     91 ALA O   . mod.= 5.811 id.= 5.815 dev=  0.004 sig.= 0.000
A     82 ALA CA  . - A     92 GLY N   . mod.= 4.439 id.= 4.442 dev=  0.003 sig.= 0.000
A     82 ALA CA  . - A     92 GLY CA  . mod.= 4.244 id.= 4.246 dev=  0.002 sig.= 0.000
A     82 ALA CA  . - A     92 GLY C   . mod.= 5.605 id.= 5.608 dev=  0.003 sig.= 0.000
A     82 ALA C   . - A     83 GLU C   . mod.= 2.964 id.= 2.961 dev= -0.003 sig.= 0.000
A     82 ALA C   . - A     83 GLU O   . mod.= 3.273 id.= 3.270 dev= -0.004 sig.= 0.000
A     82 ALA C   . - A     84 THR CA  . mod.= 4.608 id.= 4.604 dev= -0.004 sig.= 0.000
A     82 ALA C   . - A     84 THR C   . mod.= 5.964 id.= 5.962 dev= -0.002 sig.= 0.000
A     82 ALA C   . - A     92 GLY N   . mod.= 4.264 id.= 4.267 dev=  0.003 sig.= 0.000
A     82 ALA C   . - A     92 GLY CA  . mod.= 4.402 id.= 4.404 dev=  0.002 sig.= 0.000
A     82 ALA C   . - A     92 GLY C   . mod.= 5.623 id.= 5.625 dev=  0.002 sig.= 0.000
A     82 ALA C   . - A     95 PRO CA  . mod.= 5.766 id.= 5.764 dev= -0.002 sig.= 0.000
A     82 ALA O   . - A     94 ALA O   . mod.= 4.785 id.= 4.782 dev= -0.003 sig.= 0.000
A     82 ALA O   . - A     95 PRO CA  . mod.= 4.541 id.= 4.539 dev= -0.002 sig.= 0.000
A     83 GLU N   . - A     83 GLU O   . mod.= 2.798 id.= 2.795 dev= -0.003 sig.= 0.000
A     83 GLU N   . - A     84 THR CA  . mod.= 4.591 id.= 4.586 dev= -0.004 sig.= 0.000
A     83 GLU N   . - A     84 THR C   . mod.= 5.751 id.= 5.748 dev= -0.003 sig.= 0.000
A     83 GLU N   . - A     84 THR O   . mod.= 5.954 id.= 5.950 dev= -0.004 sig.= 0.000
A     83 GLU N   . - A     92 GLY N   . mod.= 5.330 id.= 5.332 dev=  0.002 sig.= 0.000
A     83 GLU CA  . - A     84 THR CA  . mod.= 3.782 id.= 3.778 dev= -0.004 sig.= 0.000
A     83 GLU CA  . - A     84 THR C   . mod.= 4.681 id.= 4.678 dev= -0.003 sig.= 0.000
A     83 GLU CA  . - A     84 THR O   . mod.= 4.700 id.= 4.695 dev= -0.004 sig.= 0.000
A     83 GLU CA  . - A     85 ASN N   . mod.= 5.727 id.= 5.724 dev= -0.003 sig.= 0.000
A     83 GLU CA  . - A     90 ILE O   . mod.= 5.294 id.= 5.298 dev=  0.003 sig.= 0.000
A     83 GLU CA  . - A     92 GLY N   . mod.= 5.874 id.= 5.877 dev=  0.003 sig.= 0.000
A     83 GLU C   . - A     85 ASN CA  . mod.= 5.605 id.= 5.599 dev= -0.006 sig.= 0.000
A     83 GLU C   . - A     86 ASN N   . mod.= 4.985 id.= 4.980 dev= -0.006 sig.= 0.000
A     83 GLU C   . - A     90 ILE C   . mod.= 5.373 id.= 5.375 dev=  0.003 sig.= 0.000
A     83 GLU C   . - A     91 ALA N   . mod.= 5.888 id.= 5.892 dev=  0.004 sig.= 0.000
A     83 GLU C   . - A     92 GLY N   . mod.= 5.109 id.= 5.111 dev=  0.002 sig.= 0.000
A     83 GLU C   . - A     95 PRO O   . mod.= 5.397 id.= 5.401 dev=  0.004 sig.= 0.000
A     83 GLU O   . - A     84 THR C   . mod.= 3.855 id.= 3.860 dev=  0.005 sig.= 0.000
A     83 GLU O   . - A     84 THR O   . mod.= 4.465 id.= 4.469 dev=  0.004 sig.= 0.000
A     83 GLU O   . - A     85 ASN N   . mod.= 4.427 id.= 4.430 dev=  0.003 sig.= 0.000
A     83 GLU O   . - A     85 ASN CA  . mod.= 5.700 id.= 5.696 dev= -0.004 sig.= 0.000
A     83 GLU O   . - A     86 ASN N   . mod.= 4.918 id.= 4.915 dev= -0.004 sig.= 0.000
A     83 GLU O   . - A     90 ILE C   . mod.= 4.305 id.= 4.307 dev=  0.002 sig.= 0.000
A     83 GLU O   . - A     91 ALA N   . mod.= 4.991 id.= 4.994 dev=  0.004 sig.= 0.000
A     83 GLU O   . - A     92 GLY N   . mod.= 4.866 id.= 4.868 dev=  0.002 sig.= 0.000
A     84 THR N   . - A     85 ASN CA  . mod.= 4.833 id.= 4.828 dev= -0.005 sig.= 0.000
A     84 THR N   . - A     86 ASN CA  . mod.= 5.497 id.= 5.502 dev=  0.005 sig.= 0.000
A     84 THR N   . - A     90 ILE C   . mod.= 5.849 id.= 5.855 dev=  0.005 sig.= 0.000
A     84 THR N   . - A     90 ILE O   . mod.= 4.811 id.= 4.814 dev=  0.003 sig.= 0.000
A     84 THR N   . - A     91 ALA CA  . mod.= 5.301 id.= 5.299 dev= -0.002 sig.= 0.000
A     84 THR N   . - A     95 PRO CA  . mod.= 5.196 id.= 5.191 dev= -0.005 sig.= 0.000
A     84 THR N   . - A     95 PRO C   . mod.= 5.340 id.= 5.336 dev= -0.004 sig.= 0.000
A     84 THR CA  . - A     85 ASN CA  . mod.= 3.825 id.= 3.818 dev= -0.007 sig.= 0.000
A     84 THR CA  . - A     86 ASN N   . mod.= 4.303 id.= 4.299 dev= -0.004 sig.= 0.000
A     84 THR CA  . - A     86 ASN CA  . mod.= 5.387 id.= 5.384 dev= -0.002 sig.= 0.000
A     84 THR CA  . - A     90 ILE O   . mod.= 4.558 id.= 4.555 dev= -0.003 sig.= 0.000
A     84 THR CA  . - A     91 ALA N   . mod.= 5.425 id.= 5.428 dev=  0.003 sig.= 0.000
A     84 THR CA  . - A     92 GLY N   . mod.= 4.711 id.= 4.714 dev=  0.003 sig.= 0.000
A     84 THR CA  . - A     92 GLY CA  . mod.= 5.840 id.= 5.842 dev=  0.002 sig.= 0.000
A     84 THR CA  . - A     92 GLY O   . mod.= 5.931 id.= 5.936 dev=  0.005 sig.= 0.000
A     84 THR CA  . - A     95 PRO CA  . mod.= 5.230 id.= 5.234 dev=  0.005 sig.= 0.000
A     84 THR CA  . - A     95 PRO C   . mod.= 5.684 id.= 5.689 dev=  0.004 sig.= 0.000
A     84 THR CA  . - A     95 PRO O   . mod.= 5.178 id.= 5.183 dev=  0.006 sig.= 0.000
A     84 THR C   . - A     90 ILE O   . mod.= 5.625 id.= 5.630 dev=  0.004 sig.= 0.000
A     84 THR C   . - A     91 ALA CA  . mod.= 5.615 id.= 5.618 dev=  0.003 sig.= 0.000
A     84 THR O   . - A     85 ASN CA  . mod.= 2.899 id.= 2.903 dev=  0.004 sig.= 0.000
A     84 THR O   . - A     85 ASN C   . mod.= 3.135 id.= 3.139 dev=  0.004 sig.= 0.000
A     84 THR O   . - A     85 ASN O   . mod.= 3.753 id.= 3.755 dev=  0.002 sig.= 0.000
A     84 THR O   . - A     86 ASN N   . mod.= 3.474 id.= 3.477 dev=  0.002 sig.= 0.000
A     84 THR O   . - A     86 ASN CA  . mod.= 4.424 id.= 4.426 dev=  0.002 sig.= 0.000
A     84 THR O   . - A     95 PRO CA  . mod.= 5.983 id.= 5.988 dev=  0.005 sig.= 0.000
A     84 THR O   . - A     95 PRO O   . mod.= 5.387 id.= 5.392 dev=  0.005 sig.= 0.000
A     85 ASN N   . - A     85 ASN O   . mod.= 3.576 id.= 3.571 dev= -0.005 sig.= 0.000
A     85 ASN N   . - A     86 ASN N   . mod.= 2.754 id.= 2.749 dev= -0.005 sig.= 0.000
A     85 ASN N   . - A     86 ASN CA  . mod.= 4.159 id.= 4.154 dev= -0.006 sig.= 0.000
A     85 ASN N   . - A     86 ASN C   . mod.= 5.161 id.= 5.157 dev= -0.005 sig.= 0.000
A     85 ASN N   . - A     87 ALA N   . mod.= 5.005 id.= 5.001 dev= -0.004 sig.= 0.000
A     85 ASN N   . - A     88 THR O   . mod.= 5.980 id.= 5.982 dev=  0.003 sig.= 0.000
A     85 ASN CA  . - A     86 ASN CA  . mod.= 3.811 id.= 3.815 dev=  0.004 sig.= 0.000
A     85 ASN CA  . - A     86 ASN C   . mod.= 4.747 id.= 4.751 dev=  0.004 sig.= 0.000
A     85 ASN CA  . - A     86 ASN O   . mod.= 5.950 id.= 5.954 dev=  0.004 sig.= 0.000
A     85 ASN CA  . - A     87 ALA N   . mod.= 4.502 id.= 4.505 dev=  0.003 sig.= 0.000
A     85 ASN C   . - A     88 THR N   . mod.= 5.721 id.= 5.723 dev=  0.002 sig.= 0.000
A     85 ASN O   . - A     86 ASN CA  . mod.= 2.727 id.= 2.724 dev= -0.004 sig.= 0.000
A     85 ASN O   . - A     86 ASN C   . mod.= 3.748 id.= 3.745 dev= -0.003 sig.= 0.000
A     85 ASN O   . - A     87 ALA CA  . mod.= 5.299 id.= 5.297 dev= -0.002 sig.= 0.000
A     86 ASN N   . - A     86 ASN O   . mod.= 3.608 id.= 3.606 dev= -0.003 sig.= 0.000
A     86 ASN N   . - A     88 THR CA  . mod.= 5.613 id.= 5.607 dev= -0.006 sig.= 0.000
A     86 ASN CA  . - A     87 ALA CA  . mod.= 3.867 id.= 3.864 dev= -0.003 sig.= 0.000
A     86 ASN CA  . - A     87 ALA O   . mod.= 5.521 id.= 5.517 dev= -0.004 sig.= 0.000
A     86 ASN CA  . - A     88 THR CA  . mod.= 5.220 id.= 5.217 dev= -0.004 sig.= 0.000
A     86 ASN CA  . - A     88 THR C   . mod.= 5.793 id.= 5.795 dev=  0.003 sig.= 0.000
A     86 ASN CA  . - A     88 THR O   . mod.= 5.293 id.= 5.296 dev=  0.002 sig.= 0.000
A     86 ASN C   . - A     87 ALA C   . mod.= 3.158 id.= 3.161 dev=  0.003 sig.= 0.000
A     86 ASN C   . - A     88 THR N   . mod.= 3.149 id.= 3.152 dev=  0.003 sig.= 0.000
A     86 ASN O   . - A     87 ALA CA  . mod.= 2.953 id.= 2.959 dev=  0.005 sig.= 0.000
A     86 ASN O   . - A     87 ALA C   . mod.= 3.120 id.= 3.125 dev=  0.005 sig.= 0.000
A     86 ASN O   . - A     88 THR CA  . mod.= 3.962 id.= 3.957 dev= -0.004 sig.= 0.000
A     86 ASN O   . - A     88 THR C   . mod.= 5.072 id.= 5.069 dev= -0.003 sig.= 0.000
A     86 ASN O   . - A     88 THR O   . mod.= 5.102 id.= 5.098 dev= -0.005 sig.= 0.000
A     87 ALA N   . - A     88 THR O   . mod.= 4.738 id.= 4.736 dev= -0.002 sig.= 0.000
A     87 ALA CA  . - A     88 THR CA  . mod.= 3.770 id.= 3.773 dev=  0.003 sig.= 0.000
A     87 ALA O   . - A     88 THR CA  . mod.= 2.826 id.= 2.833 dev=  0.007 sig.= 0.000
A     87 ALA O   . - A     88 THR C   . mod.= 4.181 id.= 4.178 dev= -0.003 sig.= 0.000
A     88 THR N   . - A     89 GLY C   . mod.= 5.243 id.= 5.246 dev=  0.002 sig.= 0.000
A     88 THR CA  . - A     89 GLY CA  . mod.= 3.794 id.= 3.791 dev= -0.003 sig.= 0.000
A     88 THR CA  . - A     89 GLY O   . mod.= 4.935 id.= 4.933 dev= -0.002 sig.= 0.000
A     88 THR CA  . - A     90 ILE N   . mod.= 5.271 id.= 5.266 dev= -0.005 sig.= 0.000
A     88 THR C   . - A     89 GLY C   . mod.= 3.164 id.= 3.166 dev=  0.002 sig.= 0.000
A     88 THR C   . - A     89 GLY O   . mod.= 3.673 id.= 3.671 dev= -0.002 sig.= 0.000
A     88 THR O   . - A     89 GLY C   . mod.= 3.154 id.= 3.156 dev=  0.002 sig.= 0.000
A     88 THR O   . - A     90 ILE O   . mod.= 3.676 id.= 3.673 dev= -0.003 sig.= 0.000
A     90 ILE C   . - A     92 GLY CA  . mod.= 5.241 id.= 5.238 dev= -0.003 sig.= 0.000
A     90 ILE O   . - A     91 ALA O   . mod.= 4.179 id.= 4.181 dev=  0.003 sig.= 0.000
A     90 ILE O   . - A     92 GLY CA  . mod.= 5.163 id.= 5.160 dev= -0.002 sig.= 0.000
A     91 ALA N   . - A     92 GLY O   . mod.= 5.529 id.= 5.527 dev= -0.003 sig.= 0.000
A     91 ALA CA  . - A     92 GLY O   . mod.= 4.258 id.= 4.256 dev= -0.002 sig.= 0.000
A     91 ALA CA  . - A     93 MET N   . mod.= 5.663 id.= 5.667 dev=  0.004 sig.= 0.000
A     91 ALA C   . - A     92 GLY O   . mod.= 3.313 id.= 3.308 dev= -0.005 sig.= 0.000
A     91 ALA C   . - A     93 MET CA  . mod.= 5.427 id.= 5.430 dev=  0.003 sig.= 0.000
A     91 ALA O   . - A     92 GLY C   . mod.= 3.401 id.= 3.398 dev= -0.003 sig.= 0.000
A     91 ALA O   . - A     92 GLY O   . mod.= 3.751 id.= 3.744 dev= -0.007 sig.= 0.000
A     92 GLY N   . - A     92 GLY O   . mod.= 2.615 id.= 2.611 dev= -0.004 sig.= 0.000
A     92 GLY N   . - A     93 MET CA  . mod.= 4.848 id.= 4.852 dev=  0.004 sig.= 0.000
A     92 GLY N   . - A     94 ALA C   . mod.= 5.869 id.= 5.865 dev= -0.004 sig.= 0.000
A     92 GLY CA  . - A     93 MET CA  . mod.= 3.838 id.= 3.844 dev=  0.005 sig.= 0.000
A     92 GLY CA  . - A     93 MET C   . mod.= 4.562 id.= 4.565 dev=  0.003 sig.= 0.000
A     92 GLY CA  . - A     94 ALA C   . mod.= 5.169 id.= 5.167 dev= -0.002 sig.= 0.000
A     92 GLY CA  . - A     94 ALA O   . mod.= 5.237 id.= 5.234 dev= -0.003 sig.= 0.000
A     92 GLY C   . - A     94 ALA C   . mod.= 4.477 id.= 4.474 dev= -0.003 sig.= 0.000
A     92 GLY C   . - A     94 ALA O   . mod.= 4.869 id.= 4.865 dev= -0.004 sig.= 0.000
A     92 GLY C   . - A     95 PRO N   . mod.= 4.525 id.= 4.522 dev= -0.003 sig.= 0.000
A     92 GLY O   . - A     93 MET CA  . mod.= 2.796 id.= 2.801 dev=  0.005 sig.= 0.000
A     92 GLY O   . - A     93 MET C   . mod.= 3.188 id.= 3.193 dev=  0.005 sig.= 0.000
A     92 GLY O   . - A     93 MET O   . mod.= 3.778 id.= 3.782 dev=  0.004 sig.= 0.000
A     92 GLY O   . - A     94 ALA N   . mod.= 3.509 id.= 3.511 dev=  0.002 sig.= 0.000
A     92 GLY O   . - A     94 ALA C   . mod.= 4.364 id.= 4.362 dev= -0.002 sig.= 0.000
A     92 GLY O   . - A     94 ALA O   . mod.= 4.985 id.= 4.981 dev= -0.004 sig.= 0.000
A     92 GLY O   . - A     95 PRO C   . mod.= 5.925 id.= 5.929 dev=  0.004 sig.= 0.000
A     93 MET N   . - A     93 MET O   . mod.= 3.570 id.= 3.567 dev= -0.003 sig.= 0.000
A     93 MET N   . - A     94 ALA CA  . mod.= 4.198 id.= 4.195 dev= -0.003 sig.= 0.000
A     93 MET N   . - A     94 ALA C   . mod.= 4.536 id.= 4.534 dev= -0.002 sig.= 0.000
A     93 MET N   . - A     94 ALA O   . mod.= 4.930 id.= 4.927 dev= -0.003 sig.= 0.000
A     93 MET N   . - A     95 PRO N   . mod.= 4.888 id.= 4.885 dev= -0.002 sig.= 0.000
A     93 MET N   . - A    234 GLY CA  . mod.= 5.463 id.= 5.466 dev=  0.003 sig.= 0.000
A     93 MET CA  . - A     95 PRO CA  . mod.= 5.963 id.= 5.966 dev=  0.004 sig.= 0.000
A     93 MET CA  . - A    230 PRO O   . mod.= 5.898 id.= 5.906 dev=  0.009 sig.= 0.000
A     93 MET CA  . - A    234 GLY N   . mod.= 5.916 id.= 5.921 dev=  0.006 sig.= 0.000
A     93 MET CA  . - A    234 GLY CA  . mod.= 4.752 id.= 4.757 dev=  0.005 sig.= 0.000
A     93 MET CA  . - A    234 GLY C   . mod.= 5.116 id.= 5.119 dev=  0.002 sig.= 0.000
A     93 MET CA  . - A    234 GLY O   . mod.= 5.401 id.= 5.403 dev=  0.002 sig.= 0.000
A     93 MET CA  . - A    235 LEU N   . mod.= 5.709 id.= 5.711 dev=  0.003 sig.= 0.000
A     93 MET SD  . - A     93 MET CE  . mod.= 1.579 id.= 1.791 dev=  0.212 sig.= 0.020
A     93 MET C   . - A     95 PRO CA  . mod.= 5.063 id.= 5.067 dev=  0.004 sig.= 0.000
A     93 MET C   . - A    234 GLY N   . mod.= 5.822 id.= 5.825 dev=  0.003 sig.= 0.000
A     93 MET C   . - A    234 GLY CA  . mod.= 4.452 id.= 4.455 dev=  0.004 sig.= 0.000
A     93 MET O   . - A     95 PRO CA  . mod.= 5.308 id.= 5.314 dev=  0.006 sig.= 0.000
A     93 MET O   . - A    234 GLY CA  . mod.= 4.910 id.= 4.912 dev=  0.003 sig.= 0.000
A     93 MET O   . - A    234 GLY O   . mod.= 4.402 id.= 4.406 dev=  0.004 sig.= 0.000
A     93 MET O   . - A    235 LEU N   . mod.= 5.226 id.= 5.229 dev=  0.002 sig.= 0.000
A     93 MET O   . - A    235 LEU CA  . mod.= 5.713 id.= 5.710 dev= -0.003 sig.= 0.000
A     94 ALA N   . - A     94 ALA O   . mod.= 3.021 id.= 3.017 dev= -0.004 sig.= 0.000
A     94 ALA N   . - A     95 PRO N   . mod.= 3.080 id.= 3.077 dev= -0.003 sig.= 0.000
A     94 ALA N   . - A     96 ASN N   . mod.= 5.637 id.= 5.635 dev= -0.002 sig.= 0.000
A     94 ALA N   . - A    234 GLY CA  . mod.= 4.354 id.= 4.356 dev=  0.002 sig.= 0.000
A     94 ALA N   . - A    235 LEU N   . mod.= 5.665 id.= 5.668 dev=  0.002 sig.= 0.000
A     94 ALA CA  . - A     95 PRO C   . mod.= 4.612 id.= 4.616 dev=  0.004 sig.= 0.000
A     94 ALA CA  . - A     96 ASN CA  . mod.= 5.771 id.= 5.767 dev= -0.003 sig.= 0.000
A     94 ALA CA  . - A     97 THR N   . mod.= 4.946 id.= 4.944 dev= -0.002 sig.= 0.000
A     94 ALA CA  . - A     97 THR CA  . mod.= 5.528 id.= 5.519 dev= -0.009 sig.= 0.000
A     94 ALA CA  . - A    234 GLY O   . mod.= 4.240 id.= 4.237 dev= -0.003 sig.= 0.000
A     94 ALA CA  . - A    237 ALA C   . mod.= 5.929 id.= 5.931 dev=  0.002 sig.= 0.000
A     94 ALA CA  . - A    238 LEU CA  . mod.= 5.814 id.= 5.811 dev= -0.003 sig.= 0.000
A     94 ALA C   . - A     95 PRO O   . mod.= 4.042 id.= 4.040 dev= -0.002 sig.= 0.000
A     94 ALA C   . - A     96 ASN CA  . mod.= 4.568 id.= 4.565 dev= -0.003 sig.= 0.000
A     94 ALA C   . - A     97 THR C   . mod.= 5.569 id.= 5.566 dev= -0.004 sig.= 0.000
A     94 ALA C   . - A     97 THR O   . mod.= 5.177 id.= 5.173 dev= -0.004 sig.= 0.000
A     94 ALA O   . - A     95 PRO CA  . mod.= 2.883 id.= 2.877 dev= -0.006 sig.= 0.000
A     94 ALA O   . - A     95 PRO O   . mod.= 3.693 id.= 3.688 dev= -0.005 sig.= 0.000
A     94 ALA O   . - A     96 ASN N   . mod.= 3.294 id.= 3.290 dev= -0.004 sig.= 0.000
A     94 ALA O   . - A     96 ASN CA  . mod.= 4.288 id.= 4.282 dev= -0.006 sig.= 0.000
A     94 ALA O   . - A     97 THR O   . mod.= 4.009 id.= 4.007 dev= -0.003 sig.= 0.000
A     95 PRO N   . - A     95 PRO O   . mod.= 3.577 id.= 3.579 dev=  0.002 sig.= 0.000
A     95 PRO N   . - A     96 ASN N   . mod.= 2.922 id.= 2.925 dev=  0.002 sig.= 0.000
A     95 PRO N   . - A     97 THR CA  . mod.= 5.665 id.= 5.662 dev= -0.003 sig.= 0.000
A     95 PRO CA  . - A     96 ASN CA  . mod.= 3.781 id.= 3.784 dev=  0.003 sig.= 0.000
A     95 PRO CA  . - A     96 ASN O   . mod.= 5.735 id.= 5.737 dev=  0.002 sig.= 0.000
A     95 PRO CA  . - A     97 THR O   . mod.= 5.953 id.= 5.950 dev= -0.003 sig.= 0.000
A     95 PRO C   . - A     96 ASN O   . mod.= 4.326 id.= 4.328 dev=  0.002 sig.= 0.000
A     95 PRO C   . - A     97 THR CA  . mod.= 4.960 id.= 4.965 dev=  0.005 sig.= 0.000
A     95 PRO C   . - A     97 THR C   . mod.= 5.531 id.= 5.533 dev=  0.002 sig.= 0.000
A     95 PRO O   . - A     96 ASN CA  . mod.= 2.683 id.= 2.686 dev=  0.002 sig.= 0.000
A     95 PRO O   . - A     96 ASN O   . mod.= 4.179 id.= 4.183 dev=  0.003 sig.= 0.000
A     95 PRO O   . - A     97 THR CA  . mod.= 5.205 id.= 5.210 dev=  0.005 sig.= 0.000
A     95 PRO O   . - A     97 THR C   . mod.= 5.473 id.= 5.476 dev=  0.003 sig.= 0.000
A     96 ASN N   . - A     97 THR N   . mod.= 2.765 id.= 2.763 dev= -0.003 sig.= 0.000
A     96 ASN N   . - A     97 THR O   . mod.= 4.952 id.= 4.948 dev= -0.004 sig.= 0.000
A     96 ASN CA  . - A     97 THR CA  . mod.= 3.800 id.= 3.797 dev= -0.003 sig.= 0.000
A     96 ASN CA  . - A     97 THR C   . mod.= 4.618 id.= 4.612 dev= -0.006 sig.= 0.000
A     96 ASN CA  . - A     97 THR O   . mod.= 4.687 id.= 4.679 dev= -0.008 sig.= 0.000
A     96 ASN CA  . - A     98 ARG N   . mod.= 5.575 id.= 5.570 dev= -0.005 sig.= 0.000
A     96 ASN O   . - A     97 THR CA  . mod.= 2.824 id.= 2.828 dev=  0.005 sig.= 0.000
A     96 ASN O   . - A     97 THR C   . mod.= 3.200 id.= 3.202 dev=  0.002 sig.= 0.000
A     97 THR N   . - A     97 THR O   . mod.= 2.908 id.= 2.905 dev= -0.002 sig.= 0.000
A     97 THR N   . - A     98 ARG CA  . mod.= 4.879 id.= 4.876 dev= -0.003 sig.= 0.000
A     97 THR N   . - A     98 ARG C   . mod.= 5.754 id.= 5.751 dev= -0.003 sig.= 0.000
A     97 THR CA  . - A     98 ARG C   . mod.= 4.558 id.= 4.555 dev= -0.003 sig.= 0.000
A     97 THR CA  . - A     98 ARG O   . mod.= 4.404 id.= 4.402 dev= -0.002 sig.= 0.000
A     97 THR CA  . - A     99 ILE N   . mod.= 5.749 id.= 5.745 dev= -0.004 sig.= 0.000
A     97 THR C   . - A     98 ARG C   . mod.= 3.214 id.= 3.211 dev= -0.003 sig.= 0.000
A     97 THR C   . - A     98 ARG O   . mod.= 3.335 id.= 3.333 dev= -0.002 sig.= 0.000
A     97 THR C   . - A     99 ILE N   . mod.= 4.311 id.= 4.307 dev= -0.004 sig.= 0.000
A     97 THR O   . - A     98 ARG CA  . mod.= 2.767 id.= 2.764 dev= -0.003 sig.= 0.000
A     97 THR O   . - A     98 ARG C   . mod.= 3.386 id.= 3.381 dev= -0.004 sig.= 0.000
A     97 THR O   . - A     98 ARG O   . mod.= 3.666 id.= 3.662 dev= -0.003 sig.= 0.000
A     97 THR O   . - A     99 ILE N   . mod.= 4.212 id.= 4.207 dev= -0.005 sig.= 0.000
A     98 ARG N   . - A     99 ILE C   . mod.= 5.835 id.= 5.832 dev= -0.003 sig.= 0.000
A     98 ARG CA  . - A     99 ILE C   . mod.= 4.620 id.= 4.617 dev= -0.003 sig.= 0.000
A     98 ARG CA  . - A     99 ILE O   . mod.= 4.847 id.= 4.844 dev= -0.003 sig.= 0.000
A     98 ARG CA  . - A    100 LEU N   . mod.= 5.505 id.= 5.500 dev= -0.005 sig.= 0.000
A     98 ARG C   . - A    100 LEU N   . mod.= 4.193 id.= 4.189 dev= -0.003 sig.= 0.000
A     98 ARG C   . - A    100 LEU CA  . mod.= 5.486 id.= 5.479 dev= -0.007 sig.= 0.000
A     98 ARG O   . - A    100 LEU N   . mod.= 4.241 id.= 4.238 dev= -0.003 sig.= 0.000
A     98 ARG O   . - A    100 LEU CA  . mod.= 5.594 id.= 5.586 dev= -0.008 sig.= 0.000
A     99 ILE N   . - A    100 LEU N   . mod.= 3.440 id.= 3.437 dev= -0.003 sig.= 0.000
A     99 ILE N   . - A    100 LEU C   . mod.= 5.609 id.= 5.606 dev= -0.003 sig.= 0.000
A     99 ILE CA  . - A    100 LEU CA  . mod.= 3.769 id.= 3.774 dev=  0.005 sig.= 0.000
A     99 ILE CA  . - A    100 LEU C   . mod.= 4.441 id.= 4.438 dev= -0.003 sig.= 0.000
A     99 ILE C   . - A    100 LEU C   . mod.= 3.245 id.= 3.242 dev= -0.003 sig.= 0.000
A     99 ILE C   . - A    101 ALA N   . mod.= 3.750 id.= 3.748 dev= -0.003 sig.= 0.000
A     99 ILE C   . - A    101 ALA CA  . mod.= 4.971 id.= 4.964 dev= -0.007 sig.= 0.000
A     99 ILE O   . - A    100 LEU CA  . mod.= 2.737 id.= 2.745 dev=  0.008 sig.= 0.000
A     99 ILE O   . - A    100 LEU C   . mod.= 3.571 id.= 3.566 dev= -0.005 sig.= 0.000
A     99 ILE O   . - A    101 ALA N   . mod.= 3.693 id.= 3.686 dev= -0.006 sig.= 0.000
A     99 ILE O   . - A    101 ALA CA  . mod.= 4.959 id.= 4.949 dev= -0.010 sig.= 0.000
A    100 LEU N   . - A    100 LEU O   . mod.= 2.937 id.= 2.934 dev= -0.004 sig.= 0.000
A    100 LEU N   . - A    101 ALA N   . mod.= 3.308 id.= 3.304 dev= -0.004 sig.= 0.000
A    100 LEU N   . - A    101 ALA CA  . mod.= 4.554 id.= 4.543 dev= -0.011 sig.= 0.000
A    100 LEU N   . - A    101 ALA C   . mod.= 5.559 id.= 5.551 dev= -0.009 sig.= 0.000
A    100 LEU CA  . - A    101 ALA CA  . mod.= 3.825 id.= 3.837 dev=  0.012 sig.= 0.000
A    100 LEU CA  . - A    101 ALA C   . mod.= 4.565 id.= 4.573 dev=  0.008 sig.= 0.000
A    100 LEU CA  . - A    101 ALA O   . mod.= 4.907 id.= 4.911 dev=  0.004 sig.= 0.000
A    100 LEU CA  . - A    102 VAL N   . mod.= 5.236 id.= 5.245 dev=  0.009 sig.= 0.000
A    100 LEU C   . - A    101 ALA C   . mod.= 3.190 id.= 3.186 dev= -0.004 sig.= 0.000
A    100 LEU C   . - A    101 ALA O   . mod.= 3.775 id.= 3.770 dev= -0.005 sig.= 0.000
A    100 LEU O   . - A    101 ALA C   . mod.= 3.259 id.= 3.256 dev= -0.002 sig.= 0.000
A    100 LEU O   . - A    101 ALA O   . mod.= 4.087 id.= 4.084 dev= -0.004 sig.= 0.000
A    100 LEU O   . - A    102 VAL C   . mod.= 5.655 id.= 5.653 dev= -0.002 sig.= 0.000
A    101 ALA N   . - A    101 ALA O   . mod.= 2.972 id.= 2.968 dev= -0.004 sig.= 0.000
A    101 ALA CA  . - A    102 VAL C   . mod.= 4.699 id.= 4.696 dev= -0.002 sig.= 0.000
A    101 ALA CA  . - A    103 ARG N   . mod.= 5.421 id.= 5.418 dev= -0.003 sig.= 0.000
A    101 ALA C   . - A    102 VAL O   . mod.= 4.111 id.= 4.113 dev=  0.002 sig.= 0.000
A    101 ALA O   . - A    103 ARG N   . mod.= 4.259 id.= 4.261 dev=  0.002 sig.= 0.000
A    101 ALA O   . - A    103 ARG CA  . mod.= 5.583 id.= 5.586 dev=  0.003 sig.= 0.000
A    102 VAL CA  . - A    103 ARG C   . mod.= 4.597 id.= 4.599 dev=  0.003 sig.= 0.000
A    102 VAL CA  . - A    104 ALA N   . mod.= 5.279 id.= 5.282 dev=  0.003 sig.= 0.000
A    102 VAL C   . - A    104 ALA CA  . mod.= 5.046 id.= 5.049 dev=  0.002 sig.= 0.000
A    102 VAL O   . - A    103 ARG O   . mod.= 4.302 id.= 4.299 dev= -0.004 sig.= 0.000
A    103 ARG N   . - A    104 ALA CA  . mod.= 4.661 id.= 4.663 dev=  0.002 sig.= 0.000
A    103 ARG N   . - A    104 ALA C   . mod.= 5.862 id.= 5.865 dev=  0.003 sig.= 0.000
A    103 ARG CA  . - A    104 ALA O   . mod.= 5.936 id.= 5.938 dev=  0.002 sig.= 0.000
A    103 ARG CA  . - A    105 LEU N   . mod.= 4.618 id.= 4.616 dev= -0.002 sig.= 0.000
A    103 ARG CA  . - A    105 LEU O   . mod.= 5.536 id.= 5.540 dev=  0.004 sig.= 0.000
A    103 ARG C   . - A    104 ALA O   . mod.= 4.652 id.= 4.656 dev=  0.004 sig.= 0.000
A    103 ARG C   . - A    105 LEU C   . mod.= 5.568 id.= 5.572 dev=  0.004 sig.= 0.000
A    103 ARG C   . - A    105 LEU O   . mod.= 5.187 id.= 5.190 dev=  0.003 sig.= 0.000
A    103 ARG O   . - A    104 ALA O   . mod.= 4.869 id.= 4.873 dev=  0.005 sig.= 0.000
A    103 ARG O   . - A    105 LEU O   . mod.= 5.867 id.= 5.874 dev=  0.008 sig.= 0.000
A    103 ARG O   . - A    115 ASP O   . mod.= 5.817 id.= 5.820 dev=  0.003 sig.= 0.000
A    104 ALA N   . - A    104 ALA O   . mod.= 3.611 id.= 3.613 dev=  0.002 sig.= 0.000
A    104 ALA N   . - A    106 ASP N   . mod.= 5.882 id.= 5.885 dev=  0.003 sig.= 0.000
A    104 ALA CA  . - A    106 ASP N   . mod.= 5.543 id.= 5.546 dev=  0.003 sig.= 0.000
A    104 ALA CA  . - A    115 ASP CA  . mod.= 5.571 id.= 5.560 dev= -0.012 sig.= 0.000
A    104 ALA CA  . - A    115 ASP C   . mod.= 5.064 id.= 5.066 dev=  0.002 sig.= 0.000
A    104 ALA CA  . - A    116 ILE N   . mod.= 5.393 id.= 5.396 dev=  0.004 sig.= 0.000
A    104 ALA C   . - A    110 SER C   . mod.= 5.662 id.= 5.665 dev=  0.003 sig.= 0.000
A    104 ALA C   . - A    111 GLY CA  . mod.= 4.779 id.= 4.781 dev=  0.003 sig.= 0.000
A    104 ALA C   . - A    115 ASP CA  . mod.= 5.926 id.= 5.911 dev= -0.015 sig.= 0.000
A    104 ALA C   . - A    116 ILE N   . mod.= 5.620 id.= 5.622 dev=  0.002 sig.= 0.000
A    104 ALA C   . - A    116 ILE CA  . mod.= 5.869 id.= 5.872 dev=  0.004 sig.= 0.000
A    104 ALA O   . - A    110 SER C   . mod.= 4.983 id.= 4.988 dev=  0.005 sig.= 0.000
A    104 ALA O   . - A    111 GLY N   . mod.= 4.454 id.= 4.458 dev=  0.004 sig.= 0.000
A    104 ALA O   . - A    111 GLY CA  . mod.= 3.714 id.= 3.717 dev=  0.004 sig.= 0.000
A    104 ALA O   . - A    111 GLY O   . mod.= 5.557 id.= 5.560 dev=  0.002 sig.= 0.000
A    104 ALA O   . - A    115 ASP CA  . mod.= 5.239 id.= 5.224 dev= -0.016 sig.= 0.000
A    104 ALA O   . - A    116 ILE N   . mod.= 4.960 id.= 4.964 dev=  0.004 sig.= 0.000
A    104 ALA O   . - A    116 ILE CA  . mod.= 5.395 id.= 5.401 dev=  0.006 sig.= 0.000
A    105 LEU N   . - A    106 ASP O   . mod.= 5.473 id.= 5.475 dev=  0.003 sig.= 0.000
A    105 LEU CA  . - A    106 ASP CA  . mod.= 3.770 id.= 3.762 dev= -0.007 sig.= 0.000
A    105 LEU CA  . - A    106 ASP C   . mod.= 4.586 id.= 4.581 dev= -0.005 sig.= 0.000
A    105 LEU CA  . - A    107 ARG N   . mod.= 5.874 id.= 5.869 dev= -0.005 sig.= 0.000
A    105 LEU CA  . - A    109 GLY CA  . mod.= 5.104 id.= 5.111 dev=  0.007 sig.= 0.000
A    105 LEU CA  . - A    109 GLY C   . mod.= 4.716 id.= 4.718 dev=  0.002 sig.= 0.000
A    105 LEU CA  . - A    109 GLY O   . mod.= 5.116 id.= 5.119 dev=  0.002 sig.= 0.000
A    105 LEU CA  . - A    110 SER CA  . mod.= 4.764 id.= 4.759 dev= -0.006 sig.= 0.000
A    105 LEU CA  . - A    110 SER O   . mod.= 4.016 id.= 4.011 dev= -0.005 sig.= 0.000
A    105 LEU CA  . - A    111 GLY N   . mod.= 4.327 id.= 4.325 dev= -0.002 sig.= 0.000
A    105 LEU CA  . - A    111 GLY CA  . mod.= 4.375 id.= 4.372 dev= -0.003 sig.= 0.000
A    105 LEU CA  . - A    111 GLY C   . mod.= 5.751 id.= 5.747 dev= -0.004 sig.= 0.000
A    105 LEU C   . - A    109 GLY CA  . mod.= 4.948 id.= 4.953 dev=  0.005 sig.= 0.000
A    105 LEU C   . - A    110 SER CA  . mod.= 5.104 id.= 5.102 dev= -0.002 sig.= 0.000
A    105 LEU O   . - A    106 ASP CA  . mod.= 2.820 id.= 2.822 dev=  0.002 sig.= 0.000
A    105 LEU O   . - A    106 ASP C   . mod.= 3.346 id.= 3.349 dev=  0.003 sig.= 0.000
A    105 LEU O   . - A    107 ARG N   . mod.= 4.560 id.= 4.565 dev=  0.004 sig.= 0.000
A    105 LEU O   . - A    107 ARG CA  . mod.= 5.634 id.= 5.642 dev=  0.008 sig.= 0.000
A    105 LEU O   . - A    110 SER O   . mod.= 5.089 id.= 5.091 dev=  0.002 sig.= 0.000
A    106 ASP N   . - A    107 ARG CA  . mod.= 4.986 id.= 4.982 dev= -0.004 sig.= 0.000
A    106 ASP N   . - A    107 ARG C   . mod.= 5.512 id.= 5.514 dev=  0.002 sig.= 0.000
A    106 ASP N   . - A    109 GLY CA  . mod.= 4.755 id.= 4.758 dev=  0.003 sig.= 0.000
A    106 ASP CA  . - A    107 ARG CA  . mod.= 3.809 id.= 3.802 dev= -0.008 sig.= 0.000
A    106 ASP CA  . - A    107 ARG O   . mod.= 5.609 id.= 5.607 dev= -0.002 sig.= 0.000
A    106 ASP CA  . - A    109 GLY N   . mod.= 4.738 id.= 4.736 dev= -0.002 sig.= 0.000
A    106 ASP CA  . - A    110 SER CA  . mod.= 5.296 id.= 5.298 dev=  0.003 sig.= 0.000
A    106 ASP C   . - A    107 ARG C   . mod.= 3.201 id.= 3.204 dev=  0.002 sig.= 0.000
A    106 ASP C   . - A    110 SER C   . mod.= 5.225 id.= 5.223 dev= -0.002 sig.= 0.000
A    106 ASP O   . - A    107 ARG CA  . mod.= 2.920 id.= 2.925 dev=  0.005 sig.= 0.000
A    106 ASP O   . - A    107 ARG C   . mod.= 3.149 id.= 3.153 dev=  0.004 sig.= 0.000
A    107 ARG CA  . - A    108 ASN CA  . mod.= 3.814 id.= 3.810 dev= -0.004 sig.= 0.000
A    108 ASN N   . - A    109 GLY CA  . mod.= 4.143 id.= 4.140 dev= -0.003 sig.= 0.000
A    108 ASN N   . - A    110 SER CA  . mod.= 5.656 id.= 5.659 dev=  0.003 sig.= 0.000
A    108 ASN CA  . - A    109 GLY CA  . mod.= 3.807 id.= 3.804 dev= -0.003 sig.= 0.000
A    108 ASN CA  . - A    110 SER O   . mod.= 5.891 id.= 5.889 dev= -0.002 sig.= 0.000
A    108 ASN O   . - A    109 GLY CA  . mod.= 2.781 id.= 2.779 dev= -0.002 sig.= 0.000
A    108 ASN O   . - A    109 GLY O   . mod.= 3.905 id.= 3.909 dev=  0.004 sig.= 0.000
A    108 ASN O   . - A    110 SER C   . mod.= 5.830 id.= 5.827 dev= -0.002 sig.= 0.000
A    109 GLY N   . - A    109 GLY O   . mod.= 3.599 id.= 3.602 dev=  0.003 sig.= 0.000
A    109 GLY CA  . - A    110 SER CA  . mod.= 3.815 id.= 3.809 dev= -0.006 sig.= 0.000
A    109 GLY C   . - A    111 GLY N   . mod.= 4.520 id.= 4.517 dev= -0.004 sig.= 0.000
A    109 GLY C   . - A    111 GLY CA  . mod.= 5.739 id.= 5.736 dev= -0.003 sig.= 0.000
A    109 GLY O   . - A    110 SER CA  . mod.= 2.738 id.= 2.729 dev= -0.009 sig.= 0.000
A    109 GLY O   . - A    110 SER C   . mod.= 4.007 id.= 4.010 dev=  0.003 sig.= 0.000
A    109 GLY O   . - A    134 SER C   . mod.= 5.986 id.= 5.991 dev=  0.005 sig.= 0.000
A    109 GLY O   . - A    134 SER O   . mod.= 4.859 id.= 4.871 dev=  0.012 sig.= 0.000
A    110 SER N   . - A    111 GLY N   . mod.= 3.592 id.= 3.589 dev= -0.002 sig.= 0.000
A    110 SER C   . - A    112 THR CA  . mod.= 5.949 id.= 5.945 dev= -0.005 sig.= 0.000
A    110 SER O   . - A    111 GLY CA  . mod.= 2.678 id.= 2.676 dev= -0.002 sig.= 0.000
A    111 GLY N   . - A    112 THR CA  . mod.= 4.885 id.= 4.880 dev= -0.005 sig.= 0.000
A    111 GLY N   . - A    112 THR O   . mod.= 5.315 id.= 5.313 dev= -0.003 sig.= 0.000
A    111 GLY CA  . - A    112 THR CA  . mod.= 3.761 id.= 3.757 dev= -0.004 sig.= 0.000
A    111 GLY O   . - A    112 THR CA  . mod.= 2.777 id.= 2.774 dev= -0.003 sig.= 0.000
A    112 THR N   . - A    114 SER N   . mod.= 5.456 id.= 5.453 dev= -0.003 sig.= 0.000
A    112 THR N   . - A    115 ASP N   . mod.= 5.163 id.= 5.159 dev= -0.004 sig.= 0.000
A    112 THR N   . - A    115 ASP CA  . mod.= 5.416 id.= 5.412 dev= -0.004 sig.= 0.000
A    112 THR N   . - A    116 ILE N   . mod.= 5.341 id.= 5.343 dev=  0.002 sig.= 0.000
A    112 THR CA  . - A    113 LEU C   . mod.= 4.461 id.= 4.464 dev=  0.003 sig.= 0.000
A    112 THR CA  . - A    114 SER CA  . mod.= 5.455 id.= 5.452 dev= -0.004 sig.= 0.000
A    112 THR CA  . - A    115 ASP CA  . mod.= 5.388 id.= 5.390 dev=  0.003 sig.= 0.000
A    112 THR CA  . - A    115 ASP C   . mod.= 5.959 id.= 5.963 dev=  0.004 sig.= 0.000
A    112 THR CA  . - A    116 ILE N   . mod.= 5.380 id.= 5.383 dev=  0.003 sig.= 0.000
A    112 THR C   . - A    114 SER CA  . mod.= 4.492 id.= 4.487 dev= -0.005 sig.= 0.000
A    112 THR C   . - A    114 SER C   . mod.= 4.670 id.= 4.667 dev= -0.003 sig.= 0.000
A    112 THR C   . - A    115 ASP N   . mod.= 3.943 id.= 3.940 dev= -0.003 sig.= 0.000
A    112 THR O   . - A    113 LEU C   . mod.= 3.126 id.= 3.129 dev=  0.003 sig.= 0.000
A    112 THR O   . - A    114 SER CA  . mod.= 4.439 id.= 4.436 dev= -0.003 sig.= 0.000
A    112 THR O   . - A    116 ILE CA  . mod.= 4.027 id.= 4.024 dev= -0.003 sig.= 0.000
A    113 LEU N   . - A    114 SER N   . mod.= 2.841 id.= 2.843 dev=  0.003 sig.= 0.000
A    113 LEU N   . - A    114 SER CA  . mod.= 4.249 id.= 4.247 dev= -0.002 sig.= 0.000
A    113 LEU N   . - A    115 ASP CA  . mod.= 5.460 id.= 5.462 dev=  0.002 sig.= 0.000
A    113 LEU N   . - A    116 ILE CA  . mod.= 5.695 id.= 5.692 dev= -0.003 sig.= 0.000
A    113 LEU CA  . - A    114 SER O   . mod.= 5.324 id.= 5.322 dev= -0.003 sig.= 0.000
A    113 LEU CA  . - A    115 ASP CA  . mod.= 5.560 id.= 5.563 dev=  0.002 sig.= 0.000
A    113 LEU CA  . - A    116 ILE N   . mod.= 4.664 id.= 4.661 dev= -0.002 sig.= 0.000
A    113 LEU CA  . - A    117 ALA CA  . mod.= 5.982 id.= 5.986 dev=  0.004 sig.= 0.000
A    113 LEU C   . - A    114 SER O   . mod.= 3.850 id.= 3.845 dev= -0.005 sig.= 0.000
A    113 LEU C   . - A    115 ASP CA  . mod.= 4.570 id.= 4.575 dev=  0.005 sig.= 0.000
A    113 LEU C   . - A    117 ALA C   . mod.= 5.938 id.= 5.941 dev=  0.003 sig.= 0.000
A    113 LEU O   . - A    114 SER CA  . mod.= 2.855 id.= 2.858 dev=  0.003 sig.= 0.000
A    113 LEU O   . - A    114 SER C   . mod.= 3.089 id.= 3.094 dev=  0.005 sig.= 0.000
A    113 LEU O   . - A    114 SER O   . mod.= 3.465 id.= 3.462 dev= -0.003 sig.= 0.000
A    113 LEU O   . - A    115 ASP CA  . mod.= 4.481 id.= 4.486 dev=  0.004 sig.= 0.000
A    113 LEU O   . - A    116 ILE C   . mod.= 3.861 id.= 3.858 dev= -0.003 sig.= 0.000
A    113 LEU O   . - A    117 ALA C   . mod.= 4.827 id.= 4.832 dev=  0.005 sig.= 0.000
A    113 LEU O   . - A    117 ALA O   . mod.= 5.966 id.= 5.971 dev=  0.005 sig.= 0.000
A    113 LEU O   . - A    118 ASP N   . mod.= 4.823 id.= 4.827 dev=  0.004 sig.= 0.000
A    113 LEU O   . - A    143 THR C   . mod.= 5.922 id.= 5.926 dev=  0.004 sig.= 0.000
A    113 LEU O   . - A    144 LEU N   . mod.= 5.961 id.= 5.965 dev=  0.005 sig.= 0.000
A    114 SER N   . - A    114 SER O   . mod.= 3.466 id.= 3.462 dev= -0.004 sig.= 0.000
A    114 SER N   . - A    115 ASP N   . mod.= 2.866 id.= 2.862 dev= -0.004 sig.= 0.000
A    114 SER N   . - A    115 ASP CA  . mod.= 4.272 id.= 4.275 dev=  0.003 sig.= 0.000
A    114 SER N   . - A    116 ILE N   . mod.= 4.389 id.= 4.392 dev=  0.004 sig.= 0.000
A    114 SER N   . - A    117 ALA N   . mod.= 4.827 id.= 4.830 dev=  0.002 sig.= 0.000
A    114 SER N   . - A    117 ALA CA  . mod.= 5.520 id.= 5.524 dev=  0.004 sig.= 0.000
A    114 SER CA  . - A    115 ASP CA  . mod.= 3.831 id.= 3.835 dev=  0.004 sig.= 0.000
A    114 SER CA  . - A    115 ASP C   . mod.= 4.514 id.= 4.509 dev= -0.005 sig.= 0.000
A    114 SER CA  . - A    115 ASP O   . mod.= 5.402 id.= 5.399 dev= -0.003 sig.= 0.000
A    114 SER CA  . - A    116 ILE N   . mod.= 4.476 id.= 4.478 dev=  0.002 sig.= 0.000
A    114 SER CA  . - A    116 ILE CA  . mod.= 5.588 id.= 5.585 dev= -0.003 sig.= 0.000
A    114 SER C   . - A    115 ASP C   . mod.= 3.151 id.= 3.146 dev= -0.005 sig.= 0.000
A    114 SER C   . - A    115 ASP O   . mod.= 3.951 id.= 3.948 dev= -0.004 sig.= 0.000
A    114 SER C   . - A    116 ILE N   . mod.= 3.414 id.= 3.420 dev=  0.005 sig.= 0.000
A    114 SER C   . - A    116 ILE CA  . mod.= 4.627 id.= 4.625 dev= -0.003 sig.= 0.000
A    114 SER C   . - A    118 ASP CA  . mod.= 4.857 id.= 4.860 dev=  0.003 sig.= 0.000
A    114 SER C   . - A    118 ASP C   . mod.= 5.950 id.= 5.953 dev=  0.003 sig.= 0.000
A    114 SER O   . - A    115 ASP CA  . mod.= 2.847 id.= 2.859 dev=  0.012 sig.= 0.000
A    114 SER O   . - A    115 ASP O   . mod.= 3.614 id.= 3.616 dev=  0.002 sig.= 0.000
A    114 SER O   . - A    116 ILE N   . mod.= 3.598 id.= 3.605 dev=  0.007 sig.= 0.000
A    114 SER O   . - A    116 ILE CA  . mod.= 4.583 id.= 4.580 dev= -0.002 sig.= 0.000
A    114 SER O   . - A    116 ILE C   . mod.= 4.357 id.= 4.353 dev= -0.003 sig.= 0.000
A    114 SER O   . - A    116 ILE O   . mod.= 5.206 id.= 5.202 dev= -0.003 sig.= 0.000
A    114 SER O   . - A    117 ALA N   . mod.= 3.527 id.= 3.520 dev= -0.007 sig.= 0.000
A    114 SER O   . - A    117 ALA CA  . mod.= 3.895 id.= 3.887 dev= -0.008 sig.= 0.000
A    114 SER O   . - A    117 ALA C   . mod.= 3.879 id.= 3.871 dev= -0.007 sig.= 0.000
A    114 SER O   . - A    117 ALA O   . mod.= 5.066 id.= 5.060 dev= -0.006 sig.= 0.000
A    114 SER O   . - A    118 ASP N   . mod.= 2.951 id.= 2.947 dev= -0.004 sig.= 0.000
A    114 SER O   . - A    118 ASP CA  . mod.= 3.704 id.= 3.706 dev=  0.002 sig.= 0.000
A    114 SER O   . - A    118 ASP C   . mod.= 4.895 id.= 4.900 dev=  0.005 sig.= 0.000
A    114 SER O   . - A    119 ALA N   . mod.= 4.948 id.= 4.953 dev=  0.005 sig.= 0.000
A    115 ASP N   . - A    116 ILE N   . mod.= 2.812 id.= 2.820 dev=  0.008 sig.= 0.000
A    115 ASP N   . - A    116 ILE CA  . mod.= 4.242 id.= 4.239 dev= -0.003 sig.= 0.000
A    115 ASP N   . - A    118 ASP N   . mod.= 4.737 id.= 4.735 dev= -0.003 sig.= 0.000
A    115 ASP CA  . - A    116 ILE CA  . mod.= 3.833 id.= 3.825 dev= -0.009 sig.= 0.000
A    115 ASP CA  . - A    116 ILE O   . mod.= 5.347 id.= 5.343 dev= -0.004 sig.= 0.000
A    115 ASP CA  . - A    118 ASP N   . mod.= 4.589 id.= 4.586 dev= -0.003 sig.= 0.000
A    115 ASP CA  . - A    118 ASP C   . mod.= 5.603 id.= 5.599 dev= -0.003 sig.= 0.000
A    115 ASP CA  . - A    119 ALA N   . mod.= 5.074 id.= 5.069 dev= -0.005 sig.= 0.000
A    115 ASP C   . - A    116 ILE C   . mod.= 3.137 id.= 3.142 dev=  0.005 sig.= 0.000
A    115 ASP C   . - A    117 ALA C   . mod.= 4.690 id.= 4.687 dev= -0.003 sig.= 0.000
A    115 ASP C   . - A    117 ALA O   . mod.= 5.749 id.= 5.746 dev= -0.003 sig.= 0.000
A    115 ASP C   . - A    118 ASP N   . mod.= 3.904 id.= 3.898 dev= -0.006 sig.= 0.000
A    115 ASP C   . - A    118 ASP CA  . mod.= 4.540 id.= 4.538 dev= -0.002 sig.= 0.000
A    115 ASP C   . - A    118 ASP C   . mod.= 4.810 id.= 4.806 dev= -0.005 sig.= 0.000
A    115 ASP C   . - A    119 ALA N   . mod.= 4.031 id.= 4.027 dev= -0.004 sig.= 0.000
A    115 ASP C   . - A    119 ALA CA  . mod.= 4.862 id.= 4.859 dev= -0.003 sig.= 0.000
A    115 ASP O   . - A    116 ILE C   . mod.= 3.134 id.= 3.140 dev=  0.006 sig.= 0.000
A    115 ASP O   . - A    116 ILE O   . mod.= 3.501 id.= 3.505 dev=  0.004 sig.= 0.000
A    115 ASP O   . - A    118 ASP N   . mod.= 3.492 id.= 3.488 dev= -0.005 sig.= 0.000
A    115 ASP O   . - A    118 ASP C   . mod.= 3.807 id.= 3.804 dev= -0.003 sig.= 0.000
A    115 ASP O   . - A    118 ASP O   . mod.= 4.963 id.= 4.959 dev= -0.004 sig.= 0.000
A    115 ASP O   . - A    119 ALA N   . mod.= 2.922 id.= 2.920 dev= -0.002 sig.= 0.000
A    115 ASP O   . - A    120 ILE N   . mod.= 5.091 id.= 5.093 dev=  0.002 sig.= 0.000
A    116 ILE N   . - A    116 ILE O   . mod.= 3.522 id.= 3.517 dev= -0.005 sig.= 0.000
A    116 ILE N   . - A    118 ASP CA  . mod.= 5.258 id.= 5.263 dev=  0.005 sig.= 0.000
A    116 ILE N   . - A    119 ALA CA  . mod.= 5.441 id.= 5.438 dev= -0.003 sig.= 0.000
A    116 ILE CA  . - A    117 ALA CA  . mod.= 3.853 id.= 3.857 dev=  0.004 sig.= 0.000
A    116 ILE CA  . - A    117 ALA C   . mod.= 4.490 id.= 4.495 dev=  0.005 sig.= 0.000
A    116 ILE CA  . - A    117 ALA O   . mod.= 5.374 id.= 5.379 dev=  0.005 sig.= 0.000
A    116 ILE CA  . - A    118 ASP CA  . mod.= 5.445 id.= 5.447 dev=  0.002 sig.= 0.000
A    116 ILE CA  . - A    119 ALA N   . mod.= 4.476 id.= 4.473 dev= -0.003 sig.= 0.000
A    116 ILE CA  . - A    119 ALA CA  . mod.= 4.970 id.= 4.966 dev= -0.004 sig.= 0.000
A    116 ILE CA  . - A    119 ALA C   . mod.= 5.646 id.= 5.642 dev= -0.004 sig.= 0.000
A    116 ILE C   . - A    118 ASP CA  . mod.= 4.532 id.= 4.534 dev=  0.002 sig.= 0.000
A    116 ILE C   . - A    119 ALA C   . mod.= 4.828 id.= 4.824 dev= -0.003 sig.= 0.000
A    116 ILE C   . - A    120 ILE N   . mod.= 4.135 id.= 4.133 dev= -0.002 sig.= 0.000
A    116 ILE C   . - A    120 ILE CA  . mod.= 5.043 id.= 5.041 dev= -0.002 sig.= 0.000
A    116 ILE O   . - A    117 ALA C   . mod.= 3.122 id.= 3.125 dev=  0.003 sig.= 0.000
A    116 ILE O   . - A    119 ALA C   . mod.= 3.734 id.= 3.730 dev= -0.005 sig.= 0.000
A    116 ILE O   . - A    119 ALA O   . mod.= 4.929 id.= 4.922 dev= -0.007 sig.= 0.000
A    116 ILE O   . - A    120 ILE N   . mod.= 2.973 id.= 2.971 dev= -0.002 sig.= 0.000
A    116 ILE O   . - A    121 ILE N   . mod.= 5.145 id.= 5.147 dev=  0.002 sig.= 0.000
A    117 ALA N   . - A    117 ALA O   . mod.= 3.501 id.= 3.504 dev=  0.003 sig.= 0.000
A    117 ALA N   . - A    118 ASP C   . mod.= 4.697 id.= 4.699 dev=  0.002 sig.= 0.000
A    117 ALA N   . - A    119 ALA C   . mod.= 5.583 id.= 5.581 dev= -0.002 sig.= 0.000
A    117 ALA N   . - A    120 ILE CA  . mod.= 5.601 id.= 5.598 dev= -0.003 sig.= 0.000
A    117 ALA CA  . - A    118 ASP C   . mod.= 4.474 id.= 4.478 dev=  0.004 sig.= 0.000
A    117 ALA CA  . - A    118 ASP O   . mod.= 5.408 id.= 5.411 dev=  0.003 sig.= 0.000
A    117 ALA CA  . - A    119 ALA N   . mod.= 4.369 id.= 4.371 dev=  0.002 sig.= 0.000
A    117 ALA CA  . - A    120 ILE N   . mod.= 4.597 id.= 4.594 dev= -0.003 sig.= 0.000
A    117 ALA CA  . - A    120 ILE CA  . mod.= 5.172 id.= 5.166 dev= -0.005 sig.= 0.000
A    117 ALA CA  . - A    121 ILE N   . mod.= 5.303 id.= 5.306 dev=  0.003 sig.= 0.000
A    117 ALA CA  . - A    144 LEU N   . mod.= 5.895 id.= 5.899 dev=  0.003 sig.= 0.000
A    117 ALA CA  . - A    144 LEU CA  . mod.= 5.485 id.= 5.482 dev= -0.003 sig.= 0.000
A    117 ALA CA  . - A    147 ALA CA  . mod.= 5.372 id.= 5.370 dev= -0.002 sig.= 0.000
A    117 ALA C   . - A    120 ILE CA  . mod.= 4.587 id.= 4.584 dev= -0.003 sig.= 0.000
A    117 ALA C   . - A    121 ILE CA  . mod.= 5.112 id.= 5.115 dev=  0.003 sig.= 0.000
A    117 ALA C   . - A    122 TYR N   . mod.= 5.989 id.= 5.994 dev=  0.005 sig.= 0.000
A    117 ALA C   . - A    143 THR O   . mod.= 5.961 id.= 5.957 dev= -0.004 sig.= 0.000
A    117 ALA C   . - A    147 ALA CA  . mod.= 5.541 id.= 5.536 dev= -0.005 sig.= 0.000
A    117 ALA O   . - A    118 ASP CA  . mod.= 2.888 id.= 2.881 dev= -0.006 sig.= 0.000
A    117 ALA O   . - A    119 ALA O   . mod.= 5.266 id.= 5.264 dev= -0.002 sig.= 0.000
A    117 ALA O   . - A    120 ILE N   . mod.= 3.358 id.= 3.356 dev= -0.003 sig.= 0.000
A    117 ALA O   . - A    120 ILE CA  . mod.= 3.782 id.= 3.777 dev= -0.005 sig.= 0.000
A    117 ALA O   . - A    120 ILE C   . mod.= 3.916 id.= 3.913 dev= -0.003 sig.= 0.000
A    117 ALA O   . - A    121 ILE CA  . mod.= 3.941 id.= 3.943 dev=  0.002 sig.= 0.000
A    117 ALA O   . - A    121 ILE C   . mod.= 5.118 id.= 5.126 dev=  0.008 sig.= 0.000
A    117 ALA O   . - A    122 TYR N   . mod.= 5.098 id.= 5.102 dev=  0.004 sig.= 0.000
A    117 ALA O   . - A    147 ALA N   . mod.= 5.933 id.= 5.927 dev= -0.005 sig.= 0.000
A    117 ALA O   . - A    147 ALA CA  . mod.= 4.819 id.= 4.814 dev= -0.004 sig.= 0.000
A    117 ALA O   . - A    147 ALA C   . mod.= 5.517 id.= 5.513 dev= -0.004 sig.= 0.000
A    117 ALA O   . - A    147 ALA O   . mod.= 5.690 id.= 5.685 dev= -0.005 sig.= 0.000
A    118 ASP N   . - A    118 ASP O   . mod.= 3.523 id.= 3.525 dev=  0.002 sig.= 0.000
A    118 ASP N   . - A    121 ILE CA  . mod.= 5.664 id.= 5.667 dev=  0.004 sig.= 0.000
A    118 ASP CA  . - A    119 ALA CA  . mod.= 3.846 id.= 3.851 dev=  0.005 sig.= 0.000
A    118 ASP CA  . - A    119 ALA C   . mod.= 4.516 id.= 4.520 dev=  0.005 sig.= 0.000
A    118 ASP CA  . - A    119 ALA O   . mod.= 5.479 id.= 5.483 dev=  0.003 sig.= 0.000
A    118 ASP CA  . - A    120 ILE C   . mod.= 5.605 id.= 5.602 dev= -0.003 sig.= 0.000
A    118 ASP CA  . - A    121 ILE N   . mod.= 4.673 id.= 4.669 dev= -0.004 sig.= 0.000
A    118 ASP CA  . - A    121 ILE CA  . mod.= 5.201 id.= 5.199 dev= -0.002 sig.= 0.000
A    118 ASP CA  . - A    122 TYR N   . mod.= 5.162 id.= 5.166 dev=  0.004 sig.= 0.000
A    118 ASP C   . - A    121 ILE N   . mod.= 3.977 id.= 3.975 dev= -0.002 sig.= 0.000
A    118 ASP O   . - A    120 ILE C   . mod.= 4.337 id.= 4.334 dev= -0.003 sig.= 0.000
A    118 ASP O   . - A    121 ILE N   . mod.= 3.537 id.= 3.533 dev= -0.004 sig.= 0.000
A    118 ASP O   . - A    121 ILE CA  . mod.= 3.925 id.= 3.923 dev= -0.002 sig.= 0.000
A    118 ASP O   . - A    121 ILE C   . mod.= 3.919 id.= 3.915 dev= -0.003 sig.= 0.000
A    118 ASP O   . - A    122 TYR C   . mod.= 4.965 id.= 4.968 dev=  0.003 sig.= 0.000
A    118 ASP O   . - A    123 ALA N   . mod.= 5.032 id.= 5.035 dev=  0.003 sig.= 0.000
A    119 ALA N   . - A    119 ALA O   . mod.= 3.580 id.= 3.578 dev= -0.002 sig.= 0.000
A    119 ALA N   . - A    122 TYR CA  . mod.= 5.475 id.= 5.472 dev= -0.004 sig.= 0.000
A    119 ALA CA  . - A    120 ILE CA  . mod.= 3.864 id.= 3.870 dev=  0.006 sig.= 0.000
A    119 ALA CA  . - A    120 ILE C   . mod.= 4.529 id.= 4.533 dev=  0.003 sig.= 0.000
A    119 ALA CA  . - A    120 ILE O   . mod.= 5.351 id.= 5.354 dev=  0.003 sig.= 0.000
A    119 ALA CA  . - A    122 TYR N   . mod.= 4.621 id.= 4.617 dev= -0.003 sig.= 0.000
A    119 ALA CA  . - A    122 TYR CA  . mod.= 5.063 id.= 5.056 dev= -0.007 sig.= 0.000
A    119 ALA CA  . - A    122 TYR C   . mod.= 5.656 id.= 5.651 dev= -0.005 sig.= 0.000
A    119 ALA CA  . - A    123 ALA N   . mod.= 5.134 id.= 5.130 dev= -0.004 sig.= 0.000
A    119 ALA C   . - A    120 ILE C   . mod.= 3.144 id.= 3.146 dev=  0.002 sig.= 0.000
A    119 ALA C   . - A    121 ILE C   . mod.= 4.706 id.= 4.708 dev=  0.002 sig.= 0.000
A    119 ALA C   . - A    122 TYR CA  . mod.= 4.497 id.= 4.493 dev= -0.004 sig.= 0.000
A    119 ALA C   . - A    122 TYR C   . mod.= 4.822 id.= 4.819 dev= -0.003 sig.= 0.000
A    119 ALA C   . - A    123 ALA N   . mod.= 4.058 id.= 4.055 dev= -0.003 sig.= 0.000
A    119 ALA C   . - A    123 ALA CA  . mod.= 4.912 id.= 4.907 dev= -0.005 sig.= 0.000
A    119 ALA O   . - A    120 ILE CA  . mod.= 2.882 id.= 2.886 dev=  0.004 sig.= 0.000
A    119 ALA O   . - A    120 ILE C   . mod.= 3.191 id.= 3.194 dev=  0.003 sig.= 0.000
A    119 ALA O   . - A    120 ILE O   . mod.= 3.521 id.= 3.524 dev=  0.003 sig.= 0.000
A    119 ALA O   . - A    122 TYR CA  . mod.= 3.842 id.= 3.838 dev= -0.005 sig.= 0.000
A    119 ALA O   . - A    122 TYR C   . mod.= 3.847 id.= 3.844 dev= -0.003 sig.= 0.000
A    119 ALA O   . - A    122 TYR O   . mod.= 5.010 id.= 5.005 dev= -0.005 sig.= 0.000
A    119 ALA O   . - A    123 ALA N   . mod.= 2.960 id.= 2.958 dev= -0.003 sig.= 0.000
A    119 ALA O   . - A    123 ALA CA  . mod.= 3.729 id.= 3.726 dev= -0.003 sig.= 0.000
A    119 ALA O   . - A    123 ALA C   . mod.= 4.949 id.= 4.947 dev= -0.002 sig.= 0.000
A    120 ILE N   . - A    121 ILE C   . mod.= 4.726 id.= 4.730 dev=  0.004 sig.= 0.000
A    120 ILE N   . - A    122 TYR CA  . mod.= 5.193 id.= 5.190 dev= -0.003 sig.= 0.000
A    120 ILE N   . - A    122 TYR C   . mod.= 5.542 id.= 5.540 dev= -0.003 sig.= 0.000
A    120 ILE N   . - A    123 ALA N   . mod.= 4.721 id.= 4.717 dev= -0.004 sig.= 0.000
A    120 ILE N   . - A    123 ALA CA  . mod.= 5.498 id.= 5.493 dev= -0.005 sig.= 0.000
A    120 ILE CA  . - A    121 ILE CA  . mod.= 3.834 id.= 3.830 dev= -0.004 sig.= 0.000
A    120 ILE CA  . - A    121 ILE C   . mod.= 4.486 id.= 4.492 dev=  0.006 sig.= 0.000
A    120 ILE CA  . - A    123 ALA CA  . mod.= 5.103 id.= 5.100 dev= -0.002 sig.= 0.000
A    120 ILE CA  . - A    123 ALA C   . mod.= 5.685 id.= 5.681 dev= -0.005 sig.= 0.000
A    120 ILE C   . - A    121 ILE C   . mod.= 3.117 id.= 3.122 dev=  0.005 sig.= 0.000
A    120 ILE C   . - A    122 TYR CA  . mod.= 4.505 id.= 4.502 dev= -0.002 sig.= 0.000
A    120 ILE C   . - A    123 ALA C   . mod.= 4.833 id.= 4.830 dev= -0.003 sig.= 0.000
A    120 ILE C   . - A    124 ALA CA  . mod.= 4.988 id.= 4.986 dev= -0.002 sig.= 0.000
A    120 ILE C   . - A    151 ALA CA  . mod.= 5.894 id.= 5.890 dev= -0.003 sig.= 0.000
A    120 ILE O   . - A    121 ILE CA  . mod.= 2.874 id.= 2.871 dev= -0.003 sig.= 0.000
A    120 ILE O   . - A    121 ILE C   . mod.= 3.098 id.= 3.105 dev=  0.007 sig.= 0.000
A    120 ILE O   . - A    123 ALA C   . mod.= 3.738 id.= 3.735 dev= -0.003 sig.= 0.000
A    120 ILE O   . - A    123 ALA O   . mod.= 4.921 id.= 4.918 dev= -0.003 sig.= 0.000
A    120 ILE O   . - A    147 ALA C   . mod.= 5.946 id.= 5.948 dev=  0.002 sig.= 0.000
A    120 ILE O   . - A    151 ALA N   . mod.= 5.729 id.= 5.726 dev= -0.003 sig.= 0.000
A    120 ILE O   . - A    151 ALA CA  . mod.= 5.243 id.= 5.240 dev= -0.002 sig.= 0.000
A    121 ILE N   . - A    121 ILE O   . mod.= 3.485 id.= 3.488 dev=  0.004 sig.= 0.000
A    121 ILE N   . - A    122 TYR C   . mod.= 4.741 id.= 4.743 dev=  0.002 sig.= 0.000
A    121 ILE N   . - A    122 TYR O   . mod.= 5.838 id.= 5.840 dev=  0.002 sig.= 0.000
A    121 ILE N   . - A    125 ASP N   . mod.= 5.969 id.= 5.973 dev=  0.004 sig.= 0.000
A    121 ILE CA  . - A    122 TYR CA  . mod.= 3.855 id.= 3.858 dev=  0.003 sig.= 0.000
A    121 ILE CA  . - A    122 TYR C   . mod.= 4.503 id.= 4.507 dev=  0.004 sig.= 0.000
A    121 ILE CA  . - A    122 TYR O   . mod.= 5.422 id.= 5.426 dev=  0.005 sig.= 0.000
A    121 ILE CA  . - A    124 ALA N   . mod.= 4.540 id.= 4.538 dev= -0.002 sig.= 0.000
A    121 ILE CA  . - A    124 ALA CA  . mod.= 5.048 id.= 5.046 dev= -0.002 sig.= 0.000
A    121 ILE CA  . - A    125 ASP N   . mod.= 5.078 id.= 5.083 dev=  0.005 sig.= 0.000
A    121 ILE CA  . - A    147 ALA O   . mod.= 5.179 id.= 5.176 dev= -0.003 sig.= 0.000
A    121 ILE O   . - A    124 ALA N   . mod.= 3.251 id.= 3.248 dev= -0.003 sig.= 0.000
A    121 ILE O   . - A    125 ASP C   . mod.= 4.894 id.= 4.897 dev=  0.003 sig.= 0.000
A    121 ILE O   . - A    126 SER N   . mod.= 4.964 id.= 4.967 dev=  0.003 sig.= 0.000
A    122 TYR N   . - A    126 SER N   . mod.= 5.906 id.= 5.909 dev=  0.003 sig.= 0.000
A    122 TYR CA  . - A    126 SER N   . mod.= 5.016 id.= 5.020 dev=  0.004 sig.= 0.000
A    122 TYR C   . - A    125 ASP N   . mod.= 3.642 id.= 3.640 dev= -0.002 sig.= 0.000
A    122 TYR C   . - A    125 ASP C   . mod.= 4.637 id.= 4.634 dev= -0.003 sig.= 0.000
A    122 TYR C   . - A    126 SER CA  . mod.= 4.818 id.= 4.815 dev= -0.003 sig.= 0.000
A    122 TYR O   . - A    123 ALA CA  . mod.= 2.850 id.= 2.848 dev= -0.002 sig.= 0.000
A    122 TYR O   . - A    125 ASP N   . mod.= 3.206 id.= 3.203 dev= -0.003 sig.= 0.000
A    122 TYR O   . - A    125 ASP C   . mod.= 3.596 id.= 3.592 dev= -0.004 sig.= 0.000
A    122 TYR O   . - A    126 SER CA  . mod.= 3.651 id.= 3.649 dev= -0.002 sig.= 0.000
A    122 TYR O   . - A    127 GLY N   . mod.= 5.183 id.= 5.186 dev=  0.004 sig.= 0.000
A    123 ALA N   . - A    125 ASP C   . mod.= 5.460 id.= 5.457 dev= -0.003 sig.= 0.000
A    123 ALA N   . - A    126 SER CA  . mod.= 5.394 id.= 5.388 dev= -0.006 sig.= 0.000
A    123 ALA CA  . - A    124 ALA CA  . mod.= 3.839 id.= 3.842 dev=  0.003 sig.= 0.000
A    123 ALA CA  . - A    125 ASP CA  . mod.= 5.409 id.= 5.407 dev= -0.002 sig.= 0.000
A    123 ALA CA  . - A    125 ASP C   . mod.= 5.478 id.= 5.475 dev= -0.003 sig.= 0.000
A    123 ALA CA  . - A    126 SER CA  . mod.= 4.970 id.= 4.962 dev= -0.008 sig.= 0.000
A    123 ALA CA  . - A    127 GLY N   . mod.= 5.547 id.= 5.549 dev=  0.002 sig.= 0.000
A    123 ALA CA  . - A    128 ALA N   . mod.= 5.256 id.= 5.254 dev= -0.002 sig.= 0.000
A    123 ALA C   . - A    126 SER CA  . mod.= 4.442 id.= 4.438 dev= -0.004 sig.= 0.000
A    123 ALA C   . - A    126 SER O   . mod.= 5.677 id.= 5.673 dev= -0.003 sig.= 0.000
A    123 ALA C   . - A    127 GLY N   . mod.= 4.444 id.= 4.447 dev=  0.002 sig.= 0.000
A    123 ALA C   . - A    128 ALA CA  . mod.= 4.776 id.= 4.773 dev= -0.002 sig.= 0.000
A    123 ALA C   . - A    128 ALA C   . mod.= 5.529 id.= 5.524 dev= -0.004 sig.= 0.000
A    123 ALA C   . - A    128 ALA O   . mod.= 5.214 id.= 5.210 dev= -0.004 sig.= 0.000
A    123 ALA O   . - A    124 ALA CA  . mod.= 2.838 id.= 2.840 dev=  0.003 sig.= 0.000
A    123 ALA O   . - A    124 ALA C   . mod.= 3.164 id.= 3.166 dev=  0.002 sig.= 0.000
A    123 ALA O   . - A    126 SER CA  . mod.= 3.695 id.= 3.690 dev= -0.005 sig.= 0.000
A    123 ALA O   . - A    126 SER O   . mod.= 4.570 id.= 4.566 dev= -0.004 sig.= 0.000
A    123 ALA O   . - A    127 GLY N   . mod.= 3.384 id.= 3.387 dev=  0.003 sig.= 0.000
A    123 ALA O   . - A    128 ALA CA  . mod.= 3.773 id.= 3.771 dev= -0.002 sig.= 0.000
A    123 ALA O   . - A    128 ALA C   . mod.= 4.670 id.= 4.667 dev= -0.003 sig.= 0.000
A    123 ALA O   . - A    129 GLU N   . mod.= 5.930 id.= 5.936 dev=  0.006 sig.= 0.000
A    124 ALA N   . - A    125 ASP CA  . mod.= 4.207 id.= 4.203 dev= -0.003 sig.= 0.000
A    124 ALA N   . - A    126 SER CA  . mod.= 5.167 id.= 5.164 dev= -0.003 sig.= 0.000
A    124 ALA N   . - A    128 ALA CA  . mod.= 5.656 id.= 5.652 dev= -0.004 sig.= 0.000
A    124 ALA N   . - A    128 ALA O   . mod.= 5.589 id.= 5.585 dev= -0.004 sig.= 0.000
A    124 ALA CA  . - A    125 ASP C   . mod.= 4.531 id.= 4.535 dev=  0.005 sig.= 0.000
A    124 ALA CA  . - A    125 ASP O   . mod.= 5.498 id.= 5.500 dev=  0.002 sig.= 0.000
A    124 ALA CA  . - A    128 ALA N   . mod.= 4.931 id.= 4.933 dev=  0.002 sig.= 0.000
A    124 ALA CA  . - A    128 ALA CA  . mod.= 5.736 id.= 5.731 dev= -0.006 sig.= 0.000
A    124 ALA CA  . - A    128 ALA C   . mod.= 6.002 id.= 5.997 dev= -0.005 sig.= 0.000
A    124 ALA CA  . - A    128 ALA O   . mod.= 5.273 id.= 5.269 dev= -0.004 sig.= 0.000
A    124 ALA CA  . - A    151 ALA N   . mod.= 5.766 id.= 5.768 dev=  0.002 sig.= 0.000
A    124 ALA CA  . - A    151 ALA CA  . mod.= 4.818 id.= 4.821 dev=  0.003 sig.= 0.000
A    124 ALA CA  . - A    151 ALA C   . mod.= 5.650 id.= 5.652 dev=  0.002 sig.= 0.000
A    124 ALA C   . - A    125 ASP C   . mod.= 3.173 id.= 3.177 dev=  0.004 sig.= 0.000
A    124 ALA C   . - A    126 SER CA  . mod.= 4.441 id.= 4.443 dev=  0.003 sig.= 0.000
A    124 ALA C   . - A    128 ALA N   . mod.= 4.996 id.= 5.000 dev=  0.004 sig.= 0.000
A    124 ALA C   . - A    151 ALA CA  . mod.= 5.880 id.= 5.886 dev=  0.006 sig.= 0.000
A    124 ALA O   . - A    125 ASP CA  . mod.= 2.837 id.= 2.832 dev= -0.004 sig.= 0.000
A    124 ALA O   . - A    125 ASP C   . mod.= 3.204 id.= 3.208 dev=  0.004 sig.= 0.000
A    124 ALA O   . - A    126 SER CA  . mod.= 4.440 id.= 4.443 dev=  0.003 sig.= 0.000
A    124 ALA O   . - A    127 GLY N   . mod.= 3.220 id.= 3.217 dev= -0.002 sig.= 0.000
A    124 ALA O   . - A    127 GLY O   . mod.= 5.829 id.= 5.824 dev= -0.006 sig.= 0.000
A    124 ALA O   . - A    128 ALA N   . mod.= 4.670 id.= 4.674 dev=  0.005 sig.= 0.000
A    124 ALA O   . - A    128 ALA CA  . mod.= 5.921 id.= 5.916 dev= -0.005 sig.= 0.000
A    124 ALA O   . - A    154 LYS C   . mod.= 5.922 id.= 5.917 dev= -0.004 sig.= 0.000
A    124 ALA O   . - A    154 LYS O   . mod.= 5.531 id.= 5.529 dev= -0.002 sig.= 0.000
A    125 ASP CA  . - A    126 SER CA  . mod.= 3.784 id.= 3.789 dev=  0.005 sig.= 0.000
A    125 ASP CA  . - A    127 GLY CA  . mod.= 5.464 id.= 5.462 dev= -0.002 sig.= 0.000
A    125 ASP C   . - A    127 GLY N   . mod.= 3.249 id.= 3.251 dev=  0.002 sig.= 0.000
A    125 ASP C   . - A    127 GLY C   . mod.= 5.745 id.= 5.748 dev=  0.003 sig.= 0.000
A    125 ASP C   . - A    128 ALA N   . mod.= 5.710 id.= 5.713 dev=  0.003 sig.= 0.000
A    125 ASP O   . - A    126 SER CA  . mod.= 2.785 id.= 2.791 dev=  0.006 sig.= 0.000
A    125 ASP O   . - A    126 SER C   . mod.= 3.311 id.= 3.308 dev= -0.003 sig.= 0.000
A    125 ASP O   . - A    127 GLY CA  . mod.= 4.530 id.= 4.527 dev= -0.002 sig.= 0.000
A    126 SER N   . - A    127 GLY N   . mod.= 2.783 id.= 2.785 dev=  0.002 sig.= 0.000
A    126 SER CA  . - A    128 ALA N   . mod.= 4.479 id.= 4.476 dev= -0.003 sig.= 0.000
A    126 SER CA  . - A    128 ALA CA  . mod.= 5.654 id.= 5.650 dev= -0.004 sig.= 0.000
A    126 SER C   . - A    127 GLY C   . mod.= 3.228 id.= 3.231 dev=  0.004 sig.= 0.000
A    126 SER C   . - A    127 GLY O   . mod.= 4.197 id.= 4.200 dev=  0.003 sig.= 0.000
A    126 SER O   . - A    127 GLY C   . mod.= 3.254 id.= 3.257 dev=  0.003 sig.= 0.000
A    126 SER O   . - A    127 GLY O   . mod.= 3.933 id.= 3.937 dev=  0.004 sig.= 0.000
A    126 SER O   . - A    128 ALA N   . mod.= 3.568 id.= 3.565 dev= -0.003 sig.= 0.000
A    126 SER O   . - A    128 ALA CA  . mod.= 4.665 id.= 4.662 dev= -0.003 sig.= 0.000
A    126 SER O   . - A    128 ALA C   . mod.= 5.902 id.= 5.899 dev= -0.003 sig.= 0.000
A    127 GLY N   . - A    127 GLY O   . mod.= 3.628 id.= 3.625 dev= -0.003 sig.= 0.000
A    127 GLY N   . - A    128 ALA N   . mod.= 2.816 id.= 2.820 dev=  0.003 sig.= 0.000
A    127 GLY N   . - A    128 ALA CA  . mod.= 4.266 id.= 4.264 dev= -0.002 sig.= 0.000
A    127 GLY N   . - A    128 ALA C   . mod.= 5.157 id.= 5.155 dev= -0.002 sig.= 0.000
A    127 GLY CA  . - A    128 ALA CA  . mod.= 3.845 id.= 3.842 dev= -0.003 sig.= 0.000
A    127 GLY CA  . - A    128 ALA O   . mod.= 4.583 id.= 4.589 dev=  0.005 sig.= 0.000
A    127 GLY CA  . - A    129 GLU N   . mod.= 5.152 id.= 5.157 dev=  0.005 sig.= 0.000
A    127 GLY C   . - A    128 ALA C   . mod.= 3.061 id.= 3.058 dev= -0.003 sig.= 0.000
A    127 GLY C   . - A    129 GLU CA  . mod.= 4.809 id.= 4.806 dev= -0.004 sig.= 0.000
A    127 GLY O   . - A    129 GLU N   . mod.= 3.262 id.= 3.264 dev=  0.002 sig.= 0.000
A    127 GLY O   . - A    129 GLU CA  . mod.= 4.252 id.= 4.249 dev= -0.003 sig.= 0.000
A    127 GLY O   . - A    129 GLU C   . mod.= 5.575 id.= 5.578 dev=  0.003 sig.= 0.000
A    128 ALA N   . - A    128 ALA O   . mod.= 2.865 id.= 2.868 dev=  0.004 sig.= 0.000
A    128 ALA N   . - A    129 GLU N   . mod.= 3.405 id.= 3.409 dev=  0.004 sig.= 0.000
A    128 ALA N   . - A    129 GLU C   . mod.= 5.534 id.= 5.537 dev=  0.003 sig.= 0.000
A    128 ALA N   . - A    130 VAL N   . mod.= 5.658 id.= 5.644 dev= -0.014 sig.= 0.000
A    128 ALA CA  . - A    129 GLU CA  . mod.= 3.825 id.= 3.820 dev= -0.005 sig.= 0.000
A    128 ALA CA  . - A    129 GLU O   . mod.= 5.459 id.= 5.456 dev= -0.003 sig.= 0.000
A    128 ALA CA  . - A    130 VAL N   . mod.= 4.383 id.= 4.369 dev= -0.014 sig.= 0.000
A    128 ALA CA  . - A    130 VAL CA  . mod.= 5.471 id.= 5.461 dev= -0.010 sig.= 0.000
A    128 ALA CA  . - A    130 VAL O   . mod.= 4.710 id.= 4.699 dev= -0.011 sig.= 0.000
A    128 ALA C   . - A    129 GLU C   . mod.= 3.093 id.= 3.098 dev=  0.005 sig.= 0.000
A    128 ALA C   . - A    129 GLU O   . mod.= 3.981 id.= 3.984 dev=  0.003 sig.= 0.000
A    128 ALA C   . - A    130 VAL N   . mod.= 3.279 id.= 3.271 dev= -0.009 sig.= 0.000
A    128 ALA C   . - A    130 VAL CA  . mod.= 4.471 id.= 4.466 dev= -0.005 sig.= 0.000
A    128 ALA C   . - A    130 VAL O   . mod.= 4.369 id.= 4.364 dev= -0.005 sig.= 0.000
A    128 ALA C   . - A    156 SER N   . mod.= 5.678 id.= 5.673 dev= -0.006 sig.= 0.000
A    128 ALA O   . - A    129 GLU CA  . mod.= 2.834 id.= 2.837 dev=  0.003 sig.= 0.000
A    128 ALA O   . - A    129 GLU C   . mod.= 3.164 id.= 3.169 dev=  0.005 sig.= 0.000
A    128 ALA O   . - A    129 GLU O   . mod.= 3.713 id.= 3.718 dev=  0.005 sig.= 0.000
A    128 ALA O   . - A    130 VAL N   . mod.= 3.571 id.= 3.561 dev= -0.010 sig.= 0.000
A    128 ALA O   . - A    130 VAL CA  . mod.= 4.567 id.= 4.562 dev= -0.005 sig.= 0.000
A    128 ALA O   . - A    130 VAL O   . mod.= 4.695 id.= 4.689 dev= -0.006 sig.= 0.000
A    128 ALA O   . - A    131 ILE N   . mod.= 5.277 id.= 5.280 dev=  0.003 sig.= 0.000
A    128 ALA O   . - A    156 SER N   . mod.= 4.568 id.= 4.565 dev= -0.004 sig.= 0.000
A    128 ALA O   . - A    157 VAL O   . mod.= 5.910 id.= 5.905 dev= -0.005 sig.= 0.000
A    129 GLU N   . - A    130 VAL N   . mod.= 2.770 id.= 2.764 dev= -0.005 sig.= 0.000
A    129 GLU N   . - A    130 VAL CA  . mod.= 4.178 id.= 4.175 dev= -0.003 sig.= 0.000
A    129 GLU CA  . - A    130 VAL CA  . mod.= 3.832 id.= 3.836 dev=  0.004 sig.= 0.000
A    129 GLU CA  . - A    130 VAL O   . mod.= 4.910 id.= 4.915 dev=  0.005 sig.= 0.000
A    129 GLU CA  . - A    131 ILE N   . mod.= 5.737 id.= 5.734 dev= -0.003 sig.= 0.000
A    129 GLU CA  . - A    155 GLY C   . mod.= 5.607 id.= 5.603 dev= -0.003 sig.= 0.000
A    129 GLU CA  . - A    155 GLY O   . mod.= 5.026 id.= 5.024 dev= -0.003 sig.= 0.000
A    129 GLU CA  . - A    156 SER N   . mod.= 5.534 id.= 5.530 dev= -0.003 sig.= 0.000
A    129 GLU CA  . - A    156 SER CA  . mod.= 4.728 id.= 4.725 dev= -0.003 sig.= 0.000
A    129 GLU C   . - A    130 VAL C   . mod.= 3.569 id.= 3.564 dev= -0.004 sig.= 0.000
A    129 GLU C   . - A    130 VAL O   . mod.= 4.028 id.= 4.034 dev=  0.006 sig.= 0.000
A    129 GLU C   . - A    131 ILE N   . mod.= 4.452 id.= 4.444 dev= -0.008 sig.= 0.000
A    129 GLU C   . - A    131 ILE CA  . mod.= 5.749 id.= 5.751 dev=  0.002 sig.= 0.000
A    129 GLU C   . - A    156 SER O   . mod.= 5.942 id.= 5.946 dev=  0.004 sig.= 0.000
A    129 GLU C   . - A    157 VAL N   . mod.= 4.056 id.= 4.053 dev= -0.002 sig.= 0.000
A    129 GLU C   . - A    157 VAL CA  . mod.= 5.029 id.= 5.023 dev= -0.007 sig.= 0.000
A    129 GLU C   . - A    157 VAL C   . mod.= 5.345 id.= 5.341 dev= -0.004 sig.= 0.000
A    129 GLU C   . - A    157 VAL O   . mod.= 4.666 id.= 4.663 dev= -0.003 sig.= 0.000
A    129 GLU O   . - A    130 VAL CA  . mod.= 2.816 id.= 2.821 dev=  0.004 sig.= 0.000
A    129 GLU O   . - A    130 VAL C   . mod.= 4.024 id.= 4.021 dev= -0.003 sig.= 0.000
A    129 GLU O   . - A    130 VAL O   . mod.= 4.756 id.= 4.764 dev=  0.009 sig.= 0.000
A    129 GLU O   . - A    131 ILE N   . mod.= 4.609 id.= 4.602 dev= -0.007 sig.= 0.000
A    129 GLU O   . - A    131 ILE CA  . mod.= 5.970 id.= 5.974 dev=  0.004 sig.= 0.000
A    129 GLU O   . - A    156 SER O   . mod.= 4.927 id.= 4.932 dev=  0.005 sig.= 0.000
A    129 GLU O   . - A    157 VAL CA  . mod.= 3.961 id.= 3.956 dev= -0.005 sig.= 0.000
A    129 GLU O   . - A    157 VAL C   . mod.= 4.511 id.= 4.509 dev= -0.002 sig.= 0.000
A    130 VAL N   . - A    130 VAL O   . mod.= 2.799 id.= 2.796 dev= -0.003 sig.= 0.000
A    130 VAL N   . - A    131 ILE N   . mod.= 3.557 id.= 3.538 dev= -0.019 sig.= 0.000
A    130 VAL N   . - A    131 ILE C   . mod.= 5.886 id.= 5.879 dev= -0.007 sig.= 0.000
A    130 VAL N   . - A    156 SER CA  . mod.= 5.088 id.= 5.082 dev= -0.007 sig.= 0.000
A    130 VAL N   . - A    156 SER C   . mod.= 5.452 id.= 5.448 dev= -0.003 sig.= 0.000
A    130 VAL N   . - A    157 VAL CA  . mod.= 5.416 id.= 5.413 dev= -0.004 sig.= 0.000
A    130 VAL N   . - A    157 VAL C   . mod.= 5.392 id.= 5.388 dev= -0.004 sig.= 0.000
A    130 VAL N   . - A    157 VAL O   . mod.= 4.476 id.= 4.471 dev= -0.005 sig.= 0.000
A    130 VAL CA  . - A    131 ILE CA  . mod.= 3.793 id.= 3.807 dev=  0.014 sig.= 0.000
A    130 VAL CA  . - A    131 ILE O   . mod.= 4.952 id.= 4.949 dev= -0.003 sig.= 0.000
A    130 VAL CA  . - A    132 ASN N   . mod.= 5.496 id.= 5.493 dev= -0.003 sig.= 0.000
A    130 VAL CA  . - A    157 VAL N   . mod.= 4.381 id.= 4.384 dev=  0.003 sig.= 0.000
A    130 VAL CA  . - A    233 ALA O   . mod.= 5.810 id.= 5.790 dev= -0.019 sig.= 0.000
A    130 VAL C   . - A    131 ILE C   . mod.= 3.484 id.= 3.487 dev=  0.003 sig.= 0.000
A    130 VAL C   . - A    132 ASN CA  . mod.= 5.542 id.= 5.538 dev= -0.004 sig.= 0.000
A    130 VAL C   . - A    157 VAL CA  . mod.= 5.485 id.= 5.481 dev= -0.004 sig.= 0.000
A    130 VAL C   . - A    157 VAL O   . mod.= 3.588 id.= 3.585 dev= -0.003 sig.= 0.000
A    130 VAL C   . - A    158 VAL CA  . mod.= 5.762 id.= 5.760 dev= -0.003 sig.= 0.000
A    130 VAL O   . - A    131 ILE CA  . mod.= 2.783 id.= 2.796 dev=  0.014 sig.= 0.000
A    130 VAL O   . - A    131 ILE O   . mod.= 4.755 id.= 4.758 dev=  0.003 sig.= 0.000
A    130 VAL O   . - A    132 ASN N   . mod.= 4.362 id.= 4.360 dev= -0.002 sig.= 0.000
A    130 VAL O   . - A    132 ASN CA  . mod.= 5.718 id.= 5.714 dev= -0.004 sig.= 0.000
A    130 VAL O   . - A    157 VAL C   . mod.= 5.965 id.= 5.975 dev=  0.010 sig.= 0.000
A    130 VAL O   . - A    157 VAL O   . mod.= 4.763 id.= 4.771 dev=  0.008 sig.= 0.000
A    131 ILE N   . - A    131 ILE O   . mod.= 2.868 id.= 2.865 dev= -0.004 sig.= 0.000
A    131 ILE N   . - A    132 ASN CA  . mod.= 4.742 id.= 4.733 dev= -0.009 sig.= 0.000
A    131 ILE N   . - A    132 ASN C   . mod.= 5.819 id.= 5.816 dev= -0.003 sig.= 0.000
A    131 ILE N   . - A    156 SER CA  . mod.= 5.799 id.= 5.803 dev=  0.004 sig.= 0.000
A    131 ILE N   . - A    156 SER C   . mod.= 5.647 id.= 5.652 dev=  0.005 sig.= 0.000
A    131 ILE N   . - A    157 VAL CA  . mod.= 5.028 id.= 5.026 dev= -0.002 sig.= 0.000
A    131 ILE N   . - A    157 VAL O   . mod.= 2.809 id.= 2.806 dev= -0.003 sig.= 0.000
A    131 ILE N   . - A    158 VAL N   . mod.= 4.795 id.= 4.799 dev=  0.004 sig.= 0.000
A    131 ILE N   . - A    158 VAL CA  . mod.= 4.578 id.= 4.581 dev=  0.003 sig.= 0.000
A    131 ILE N   . - A    158 VAL C   . mod.= 5.367 id.= 5.362 dev= -0.004 sig.= 0.000
A    131 ILE N   . - A    159 VAL N   . mod.= 5.007 id.= 4.999 dev= -0.008 sig.= 0.000
A    131 ILE CA  . - A    132 ASN CA  . mod.= 3.801 id.= 3.819 dev=  0.018 sig.= 0.000
A    131 ILE CA  . - A    132 ASN C   . mod.= 4.646 id.= 4.650 dev=  0.004 sig.= 0.000
A    131 ILE CA  . - A    132 ASN O   . mod.= 4.983 id.= 4.988 dev=  0.005 sig.= 0.000
A    131 ILE CA  . - A    133 LEU N   . mod.= 5.478 id.= 5.483 dev=  0.005 sig.= 0.000
A    131 ILE CA  . - A    157 VAL N   . mod.= 5.964 id.= 5.960 dev= -0.004 sig.= 0.000
A    131 ILE CA  . - A    157 VAL C   . mod.= 4.902 id.= 4.909 dev=  0.007 sig.= 0.000
A    131 ILE CA  . - A    157 VAL O   . mod.= 3.771 id.= 3.776 dev=  0.005 sig.= 0.000
A    131 ILE CA  . - A    158 VAL N   . mod.= 5.379 id.= 5.384 dev=  0.005 sig.= 0.000
A    131 ILE CA  . - A    158 VAL CA  . mod.= 4.783 id.= 4.785 dev=  0.003 sig.= 0.000
A    131 ILE CA  . - A    158 VAL C   . mod.= 5.496 id.= 5.506 dev=  0.010 sig.= 0.000
A    131 ILE CA  . - A    159 VAL N   . mod.= 4.973 id.= 4.988 dev=  0.015 sig.= 0.000
A    131 ILE CA  . - A    159 VAL O   . mod.= 5.527 id.= 5.539 dev=  0.012 sig.= 0.000
A    131 ILE C   . - A    132 ASN C   . mod.= 3.432 id.= 3.429 dev= -0.004 sig.= 0.000
A    131 ILE C   . - A    159 VAL N   . mod.= 4.020 id.= 4.023 dev=  0.003 sig.= 0.000
A    131 ILE C   . - A    159 VAL CA  . mod.= 4.846 id.= 4.850 dev=  0.004 sig.= 0.000
A    131 ILE O   . - A    132 ASN CA  . mod.= 2.784 id.= 2.780 dev= -0.004 sig.= 0.000
A    131 ILE O   . - A    132 ASN O   . mod.= 4.649 id.= 4.652 dev=  0.003 sig.= 0.000
A    131 ILE O   . - A    133 LEU CA  . mod.= 5.407 id.= 5.411 dev=  0.004 sig.= 0.000
A    131 ILE O   . - A    157 VAL CA  . mod.= 5.876 id.= 5.878 dev=  0.003 sig.= 0.000
A    131 ILE O   . - A    158 VAL CA  . mod.= 3.520 id.= 3.518 dev= -0.002 sig.= 0.000
A    131 ILE O   . - A    158 VAL O   . mod.= 4.839 id.= 4.847 dev=  0.008 sig.= 0.000
A    131 ILE O   . - A    159 VAL C   . mod.= 3.926 id.= 3.923 dev= -0.003 sig.= 0.000
A    131 ILE O   . - A    159 VAL O   . mod.= 3.282 id.= 3.279 dev= -0.003 sig.= 0.000
A    131 ILE O   . - A    160 ALA N   . mod.= 5.248 id.= 5.243 dev= -0.005 sig.= 0.000
A    131 ILE O   . - A    160 ALA CA  . mod.= 5.999 id.= 5.997 dev= -0.002 sig.= 0.000
A    132 ASN N   . - A    133 LEU C   . mod.= 5.883 id.= 5.880 dev= -0.002 sig.= 0.000
A    132 ASN N   . - A    158 VAL C   . mod.= 5.844 id.= 5.846 dev=  0.002 sig.= 0.000
A    132 ASN N   . - A    159 VAL N   . mod.= 4.853 id.= 4.856 dev=  0.003 sig.= 0.000
A    132 ASN CA  . - A    133 LEU C   . mod.= 4.706 id.= 4.703 dev= -0.002 sig.= 0.000
A    132 ASN CA  . - A    133 LEU O   . mod.= 4.959 id.= 4.953 dev= -0.006 sig.= 0.000
A    132 ASN CA  . - A    158 VAL C   . mod.= 5.928 id.= 5.924 dev= -0.004 sig.= 0.000
A    132 ASN CA  . - A    159 VAL N   . mod.= 4.752 id.= 4.749 dev= -0.002 sig.= 0.000
A    132 ASN CA  . - A    159 VAL CA  . mod.= 4.921 id.= 4.916 dev= -0.005 sig.= 0.000
A    132 ASN CA  . - A    159 VAL C   . mod.= 4.409 id.= 4.405 dev= -0.004 sig.= 0.000
A    132 ASN CA  . - A    159 VAL O   . mod.= 3.360 id.= 3.356 dev= -0.004 sig.= 0.000
A    132 ASN CA  . - A    160 ALA N   . mod.= 5.472 id.= 5.462 dev= -0.010 sig.= 0.000
A    132 ASN CA  . - A    160 ALA CA  . mod.= 5.664 id.= 5.660 dev= -0.004 sig.= 0.000
A    133 LEU N   . - A    134 SER N   . mod.= 3.507 id.= 3.509 dev=  0.003 sig.= 0.000
A    133 LEU N   . - A    134 SER CA  . mod.= 4.769 id.= 4.772 dev=  0.003 sig.= 0.000
A    133 LEU N   . - A    159 VAL N   . mod.= 5.244 id.= 5.247 dev=  0.003 sig.= 0.000
A    133 LEU N   . - A    159 VAL CA  . mod.= 5.229 id.= 5.231 dev=  0.002 sig.= 0.000
A    133 LEU N   . - A    160 ALA N   . mod.= 4.737 id.= 4.739 dev=  0.003 sig.= 0.000
A    133 LEU N   . - A    161 ALA N   . mod.= 5.409 id.= 5.412 dev=  0.003 sig.= 0.000
A    133 LEU CA  . - A    134 SER CA  . mod.= 3.793 id.= 3.798 dev=  0.005 sig.= 0.000
A    133 LEU CA  . - A    134 SER C   . mod.= 4.424 id.= 4.429 dev=  0.004 sig.= 0.000
A    133 LEU CA  . - A    134 SER O   . mod.= 5.202 id.= 5.206 dev=  0.004 sig.= 0.000
A    133 LEU CA  . - A    135 LEU N   . mod.= 4.492 id.= 4.496 dev=  0.005 sig.= 0.000
A    133 LEU CA  . - A    135 LEU CA  . mod.= 5.551 id.= 5.554 dev=  0.003 sig.= 0.000
A    133 LEU CA  . - A    159 VAL C   . mod.= 4.983 id.= 4.988 dev=  0.005 sig.= 0.000
A    133 LEU CA  . - A    159 VAL O   . mod.= 3.893 id.= 3.899 dev=  0.006 sig.= 0.000
A    133 LEU CA  . - A    160 ALA N   . mod.= 5.341 id.= 5.354 dev=  0.012 sig.= 0.000
A    133 LEU CA  . - A    160 ALA CA  . mod.= 4.618 id.= 4.625 dev=  0.007 sig.= 0.000
A    133 LEU CA  . - A    160 ALA C   . mod.= 5.595 id.= 5.602 dev=  0.007 sig.= 0.000
A    133 LEU CA  . - A    161 ALA N   . mod.= 5.323 id.= 5.330 dev=  0.008 sig.= 0.000
A    133 LEU C   . - A    135 LEU CA  . mod.= 4.630 id.= 4.628 dev= -0.003 sig.= 0.000
A    133 LEU C   . - A    160 ALA N   . mod.= 5.363 id.= 5.366 dev=  0.003 sig.= 0.000
A    133 LEU C   . - A    161 ALA O   . mod.= 5.974 id.= 5.970 dev= -0.004 sig.= 0.000
A    133 LEU O   . - A    134 SER C   . mod.= 3.541 id.= 3.543 dev=  0.002 sig.= 0.000
A    133 LEU O   . - A    159 VAL C   . mod.= 4.681 id.= 4.679 dev= -0.002 sig.= 0.000
A    133 LEU O   . - A    160 ALA O   . mod.= 4.978 id.= 4.980 dev=  0.002 sig.= 0.000
A    133 LEU O   . - A    161 ALA C   . mod.= 5.113 id.= 5.111 dev= -0.002 sig.= 0.000
A    133 LEU O   . - A    161 ALA O   . mod.= 4.960 id.= 4.956 dev= -0.004 sig.= 0.000
A    134 SER N   . - A    159 VAL O   . mod.= 5.737 id.= 5.740 dev=  0.003 sig.= 0.000
A    134 SER N   . - A    160 ALA CA  . mod.= 5.522 id.= 5.526 dev=  0.003 sig.= 0.000
A    134 SER CA  . - A    135 LEU C   . mod.= 4.417 id.= 4.420 dev=  0.004 sig.= 0.000
A    134 SER CA  . - A    135 LEU O   . mod.= 4.286 id.= 4.288 dev=  0.003 sig.= 0.000
A    134 SER CA  . - A    136 GLY N   . mod.= 5.537 id.= 5.540 dev=  0.003 sig.= 0.000
A    134 SER CA  . - A    160 ALA CA  . mod.= 5.915 id.= 5.918 dev=  0.003 sig.= 0.000
A    134 SER CA  . - A    161 ALA CA  . mod.= 5.355 id.= 5.352 dev= -0.003 sig.= 0.000
A    134 SER CA  . - A    226 SER CA  . mod.= 5.445 id.= 5.440 dev= -0.005 sig.= 0.000
A    134 SER O   . - A    136 GLY N   . mod.= 3.961 id.= 3.963 dev=  0.002 sig.= 0.000
A    135 LEU N   . - A    136 GLY N   . mod.= 3.555 id.= 3.553 dev= -0.002 sig.= 0.000
A    135 LEU N   . - A    138 ASP N   . mod.= 5.900 id.= 5.903 dev=  0.003 sig.= 0.000
A    135 LEU N   . - A    160 ALA C   . mod.= 5.661 id.= 5.664 dev=  0.003 sig.= 0.000
A    135 LEU CA  . - A    136 GLY CA  . mod.= 3.811 id.= 3.808 dev= -0.002 sig.= 0.000
A    135 LEU CA  . - A    137 CYS C   . mod.= 5.821 id.= 5.823 dev=  0.003 sig.= 0.000
A    135 LEU CA  . - A    138 ASP N   . mod.= 4.913 id.= 4.916 dev=  0.003 sig.= 0.000
A    135 LEU CA  . - A    138 ASP CA  . mod.= 5.454 id.= 5.450 dev= -0.003 sig.= 0.000
A    135 LEU CA  . - A    161 ALA CA  . mod.= 5.873 id.= 5.870 dev= -0.002 sig.= 0.000
A    135 LEU C   . - A    137 CYS C   . mod.= 5.127 id.= 5.130 dev=  0.002 sig.= 0.000
A    135 LEU C   . - A    138 ASP N   . mod.= 4.533 id.= 4.536 dev=  0.003 sig.= 0.000
A    135 LEU C   . - A    163 GLY CA  . mod.= 5.311 id.= 5.309 dev= -0.002 sig.= 0.000
A    135 LEU O   . - A    136 GLY C   . mod.= 3.223 id.= 3.225 dev=  0.002 sig.= 0.000
A    135 LEU O   . - A    138 ASP CA  . mod.= 5.695 id.= 5.690 dev= -0.005 sig.= 0.000
A    135 LEU O   . - A    162 ALA C   . mod.= 5.278 id.= 5.280 dev=  0.003 sig.= 0.000
A    135 LEU O   . - A    164 ASN N   . mod.= 5.955 id.= 5.952 dev= -0.003 sig.= 0.000
A    136 GLY N   . - A    138 ASP CA  . mod.= 5.638 id.= 5.636 dev= -0.003 sig.= 0.000
A    136 GLY N   . - A    163 GLY CA  . mod.= 5.683 id.= 5.680 dev= -0.002 sig.= 0.000
A    136 GLY CA  . - A    137 CYS CA  . mod.= 3.802 id.= 3.804 dev=  0.002 sig.= 0.000
A    136 GLY C   . - A    137 CYS C   . mod.= 3.666 id.= 3.663 dev= -0.003 sig.= 0.000
A    136 GLY C   . - A    137 CYS O   . mod.= 4.717 id.= 4.715 dev= -0.002 sig.= 0.000
A    136 GLY C   . - A    138 ASP N   . mod.= 3.948 id.= 3.946 dev= -0.002 sig.= 0.000
A    136 GLY C   . - A    164 ASN O   . mod.= 5.932 id.= 5.935 dev=  0.003 sig.= 0.000
A    136 GLY O   . - A    164 ASN C   . mod.= 5.570 id.= 5.574 dev=  0.005 sig.= 0.000
A    137 CYS N   . - A    138 ASP N   . mod.= 2.736 id.= 2.732 dev= -0.003 sig.= 0.000
A    137 CYS N   . - A    138 ASP C   . mod.= 4.911 id.= 4.914 dev=  0.003 sig.= 0.000
A    137 CYS N   . - A    162 ALA O   . mod.= 4.779 id.= 4.781 dev=  0.002 sig.= 0.000
A    137 CYS N   . - A    163 GLY C   . mod.= 5.653 id.= 5.655 dev=  0.002 sig.= 0.000
A    137 CYS N   . - A    164 ASN N   . mod.= 5.938 id.= 5.941 dev=  0.003 sig.= 0.000
A    137 CYS CA  . - A    138 ASP CA  . mod.= 3.872 id.= 3.875 dev=  0.003 sig.= 0.000
A    137 CYS CA  . - A    138 ASP C   . mod.= 4.407 id.= 4.411 dev=  0.004 sig.= 0.000
A    137 CYS CA  . - A    162 ALA CA  . mod.= 5.859 id.= 5.856 dev= -0.003 sig.= 0.000
A    137 CYS CA  . - A    164 ASN O   . mod.= 5.876 id.= 5.884 dev=  0.008 sig.= 0.000
A    137 CYS C   . - A    138 ASP C   . mod.= 3.113 id.= 3.118 dev=  0.005 sig.= 0.000
A    137 CYS C   . - A    138 ASP O   . mod.= 3.982 id.= 3.985 dev=  0.002 sig.= 0.000
A    137 CYS C   . - A    139 CYS O   . mod.= 5.788 id.= 5.782 dev= -0.006 sig.= 0.000
A    137 CYS C   . - A    162 ALA N   . mod.= 5.993 id.= 5.991 dev= -0.002 sig.= 0.000
A    137 CYS O   . - A    138 ASP CA  . mod.= 2.982 id.= 2.991 dev=  0.010 sig.= 0.000
A    137 CYS O   . - A    138 ASP C   . mod.= 3.193 id.= 3.197 dev=  0.004 sig.= 0.000
A    137 CYS O   . - A    139 CYS CA  . mod.= 4.274 id.= 4.272 dev= -0.002 sig.= 0.000
A    137 CYS O   . - A    139 CYS C   . mod.= 5.569 id.= 5.564 dev= -0.005 sig.= 0.000
A    138 ASP N   . - A    138 ASP O   . mod.= 3.512 id.= 3.515 dev=  0.003 sig.= 0.000
A    138 ASP N   . - A    139 CYS CA  . mod.= 4.055 id.= 4.053 dev= -0.003 sig.= 0.000
A    138 ASP N   . - A    139 CYS O   . mod.= 5.060 id.= 5.056 dev= -0.004 sig.= 0.000
A    138 ASP CA  . - A    139 CYS C   . mod.= 4.472 id.= 4.475 dev=  0.003 sig.= 0.000
A    138 ASP CA  . - A    139 CYS O   . mod.= 4.490 id.= 4.487 dev= -0.003 sig.= 0.000
A    138 ASP CA  . - A    161 ALA C   . mod.= 5.565 id.= 5.559 dev= -0.006 sig.= 0.000
A    138 ASP CA  . - A    161 ALA O   . mod.= 4.412 id.= 4.406 dev= -0.006 sig.= 0.000
A    138 ASP CA  . - A    162 ALA O   . mod.= 4.539 id.= 4.545 dev=  0.005 sig.= 0.000
A    138 ASP CA  . - A    175 SER CA  . mod.= 5.188 id.= 5.184 dev= -0.004 sig.= 0.000
A    138 ASP C   . - A    139 CYS O   . mod.= 3.352 id.= 3.346 dev= -0.006 sig.= 0.000
A    138 ASP C   . - A    140 HIS CA  . mod.= 4.924 id.= 4.929 dev=  0.005 sig.= 0.000
A    138 ASP C   . - A    161 ALA O   . mod.= 5.934 id.= 5.929 dev= -0.005 sig.= 0.000
A    138 ASP C   . - A    175 SER N   . mod.= 3.807 id.= 3.805 dev= -0.002 sig.= 0.000
A    138 ASP C   . - A    175 SER CA  . mod.= 4.420 id.= 4.414 dev= -0.006 sig.= 0.000
A    138 ASP C   . - A    175 SER C   . mod.= 5.268 id.= 5.273 dev=  0.005 sig.= 0.000
A    138 ASP C   . - A    175 SER O   . mod.= 5.569 id.= 5.575 dev=  0.006 sig.= 0.000
A    138 ASP O   . - A    139 CYS O   . mod.= 3.696 id.= 3.693 dev= -0.003 sig.= 0.000
A    138 ASP O   . - A    140 HIS N   . mod.= 3.532 id.= 3.530 dev= -0.002 sig.= 0.000
A    138 ASP O   . - A    140 HIS CA  . mod.= 4.511 id.= 4.516 dev=  0.005 sig.= 0.000
A    138 ASP O   . - A    162 ALA O   . mod.= 5.908 id.= 5.905 dev= -0.004 sig.= 0.000
A    138 ASP O   . - A    175 SER N   . mod.= 2.593 id.= 2.589 dev= -0.005 sig.= 0.000
A    138 ASP O   . - A    175 SER CA  . mod.= 3.243 id.= 3.238 dev= -0.005 sig.= 0.000
A    138 ASP O   . - A    175 SER C   . mod.= 4.172 id.= 4.177 dev=  0.006 sig.= 0.000
A    138 ASP O   . - A    175 SER O   . mod.= 4.495 id.= 4.501 dev=  0.006 sig.= 0.000
A    139 CYS N   . - A    139 CYS O   . mod.= 2.674 id.= 2.665 dev= -0.009 sig.= 0.000
A    139 CYS N   . - A    140 HIS N   . mod.= 3.422 id.= 3.420 dev= -0.002 sig.= 0.000
A    139 CYS N   . - A    140 HIS CA  . mod.= 4.639 id.= 4.643 dev=  0.004 sig.= 0.000
A    139 CYS N   . - A    140 HIS O   . mod.= 5.804 id.= 5.807 dev=  0.003 sig.= 0.000
A    139 CYS N   . - A    175 SER CA  . mod.= 5.429 id.= 5.426 dev= -0.003 sig.= 0.000
A    139 CYS CA  . - A    140 HIS O   . mod.= 4.593 id.= 4.596 dev=  0.002 sig.= 0.000
A    139 CYS CA  . - A    141 THR N   . mod.= 5.316 id.= 5.311 dev= -0.005 sig.= 0.000
A    139 CYS CA  . - A    175 SER N   . mod.= 4.433 id.= 4.436 dev=  0.003 sig.= 0.000
A    139 CYS C   . - A    141 THR CA  . mod.= 5.083 id.= 5.075 dev= -0.007 sig.= 0.000
A    139 CYS C   . - A    175 SER N   . mod.= 4.337 id.= 4.340 dev=  0.003 sig.= 0.000
A    139 CYS C   . - A    175 SER C   . mod.= 5.644 id.= 5.646 dev=  0.003 sig.= 0.000
A    139 CYS C   . - A    175 SER O   . mod.= 5.275 id.= 5.279 dev=  0.004 sig.= 0.000
A    139 CYS O   . - A    140 HIS CA  . mod.= 2.821 id.= 2.825 dev=  0.004 sig.= 0.000
A    139 CYS O   . - A    140 HIS O   . mod.= 3.800 id.= 3.796 dev= -0.004 sig.= 0.000
A    139 CYS O   . - A    141 THR CA  . mod.= 4.674 id.= 4.664 dev= -0.010 sig.= 0.000
A    139 CYS O   . - A    141 THR C   . mod.= 5.701 id.= 5.690 dev= -0.011 sig.= 0.000
A    139 CYS O   . - A    141 THR O   . mod.= 5.578 id.= 5.571 dev= -0.007 sig.= 0.000
A    139 CYS O   . - A    175 SER N   . mod.= 5.108 id.= 5.105 dev= -0.003 sig.= 0.000
A    139 CYS O   . - A    175 SER CA  . mod.= 5.940 id.= 5.935 dev= -0.005 sig.= 0.000
A    139 CYS O   . - A    175 SER O   . mod.= 5.713 id.= 5.718 dev=  0.005 sig.= 0.000
A    140 HIS N   . - A    140 HIS O   . mod.= 2.876 id.= 2.873 dev= -0.002 sig.= 0.000
A    140 HIS N   . - A    175 SER N   . mod.= 3.797 id.= 3.802 dev=  0.005 sig.= 0.000
A    140 HIS N   . - A    175 SER CA  . mod.= 4.957 id.= 4.960 dev=  0.003 sig.= 0.000
A    140 HIS N   . - A    175 SER C   . mod.= 5.052 id.= 5.049 dev= -0.003 sig.= 0.000
A    140 HIS CA  . - A    141 THR CA  . mod.= 3.802 id.= 3.806 dev=  0.004 sig.= 0.000
A    140 HIS CA  . - A    141 THR C   . mod.= 4.585 id.= 4.591 dev=  0.006 sig.= 0.000
A    140 HIS CA  . - A    141 THR O   . mod.= 4.510 id.= 4.520 dev=  0.010 sig.= 0.000
A    140 HIS CA  . - A    142 THR N   . mod.= 5.722 id.= 5.727 dev=  0.005 sig.= 0.000
A    140 HIS CA  . - A    175 SER N   . mod.= 4.313 id.= 4.320 dev=  0.006 sig.= 0.000
A    140 HIS CA  . - A    175 SER CA  . mod.= 5.237 id.= 5.244 dev=  0.007 sig.= 0.000
A    140 HIS CA  . - A    176 TYR N   . mod.= 5.861 id.= 5.849 dev= -0.012 sig.= 0.000
A    140 HIS C   . - A    175 SER N   . mod.= 5.820 id.= 5.824 dev=  0.004 sig.= 0.000
A    140 HIS C   . - A    175 SER O   . mod.= 5.485 id.= 5.480 dev= -0.005 sig.= 0.000
A    140 HIS O   . - A    141 THR CA  . mod.= 2.802 id.= 2.805 dev=  0.003 sig.= 0.000
A    140 HIS O   . - A    141 THR O   . mod.= 4.635 id.= 4.631 dev= -0.003 sig.= 0.000
A    141 THR N   . - A    141 THR O   . mod.= 2.549 id.= 2.545 dev= -0.004 sig.= 0.000
A    141 THR N   . - A    142 THR N   . mod.= 3.514 id.= 3.510 dev= -0.004 sig.= 0.000
A    141 THR N   . - A    142 THR CA  . mod.= 4.742 id.= 4.739 dev= -0.003 sig.= 0.000
A    141 THR N   . - A    144 LEU N   . mod.= 5.301 id.= 5.303 dev=  0.002 sig.= 0.000
A    141 THR N   . - A    144 LEU CA  . mod.= 5.647 id.= 5.657 dev=  0.010 sig.= 0.000
A    141 THR N   . - A    145 GLU CA  . mod.= 5.945 id.= 5.941 dev= -0.004 sig.= 0.000
A    141 THR N   . - A    175 SER O   . mod.= 5.942 id.= 5.938 dev= -0.004 sig.= 0.000
A    141 THR CA  . - A    142 THR CA  . mod.= 3.809 id.= 3.805 dev= -0.004 sig.= 0.000
A    141 THR CA  . - A    142 THR O   . mod.= 5.446 id.= 5.443 dev= -0.002 sig.= 0.000
A    141 THR CA  . - A    143 THR C   . mod.= 5.719 id.= 5.721 dev=  0.002 sig.= 0.000
A    141 THR CA  . - A    144 LEU CA  . mod.= 5.523 id.= 5.531 dev=  0.008 sig.= 0.000
A    141 THR CA  . - A    144 LEU C   . mod.= 5.957 id.= 5.961 dev=  0.004 sig.= 0.000
A    141 THR CA  . - A    145 GLU N   . mod.= 5.307 id.= 5.310 dev=  0.003 sig.= 0.000
A    141 THR C   . - A    142 THR O   . mod.= 3.996 id.= 3.994 dev= -0.002 sig.= 0.000
A    141 THR C   . - A    144 LEU CA  . mod.= 4.842 id.= 4.844 dev=  0.003 sig.= 0.000
A    141 THR O   . - A    142 THR CA  . mod.= 2.857 id.= 2.862 dev=  0.005 sig.= 0.000
A    141 THR O   . - A    142 THR C   . mod.= 3.179 id.= 3.181 dev=  0.002 sig.= 0.000
A    141 THR O   . - A    144 LEU CA  . mod.= 4.062 id.= 4.066 dev=  0.004 sig.= 0.000
A    141 THR O   . - A    144 LEU O   . mod.= 5.174 id.= 5.177 dev=  0.004 sig.= 0.000
A    142 THR N   . - A    142 THR O   . mod.= 3.538 id.= 3.534 dev= -0.004 sig.= 0.000
A    142 THR N   . - A    145 GLU N   . mod.= 4.816 id.= 4.813 dev= -0.003 sig.= 0.000
A    142 THR N   . - A    145 GLU CA  . mod.= 5.448 id.= 5.445 dev= -0.004 sig.= 0.000
A    142 THR CA  . - A    144 LEU CA  . mod.= 5.611 id.= 5.614 dev=  0.002 sig.= 0.000
A    142 THR CA  . - A    144 LEU C   . mod.= 5.598 id.= 5.602 dev=  0.004 sig.= 0.000
A    142 THR CA  . - A    145 GLU N   . mod.= 4.566 id.= 4.570 dev=  0.003 sig.= 0.000
A    142 THR CA  . - A    145 GLU CA  . mod.= 4.974 id.= 4.981 dev=  0.007 sig.= 0.000
A    142 THR CA  . - A    145 GLU C   . mod.= 5.607 id.= 5.610 dev=  0.003 sig.= 0.000
A    142 THR C   . - A    143 THR O   . mod.= 4.001 id.= 3.998 dev= -0.003 sig.= 0.000
A    142 THR C   . - A    146 ASN N   . mod.= 4.150 id.= 4.147 dev= -0.003 sig.= 0.000
A    142 THR C   . - A    146 ASN CA  . mod.= 5.065 id.= 5.060 dev= -0.005 sig.= 0.000
A    142 THR O   . - A    143 THR CA  . mod.= 2.798 id.= 2.802 dev=  0.005 sig.= 0.000
A    142 THR O   . - A    143 THR C   . mod.= 3.161 id.= 3.163 dev=  0.003 sig.= 0.000
A    142 THR O   . - A    144 LEU N   . mod.= 3.563 id.= 3.565 dev=  0.002 sig.= 0.000
A    142 THR O   . - A    145 GLU N   . mod.= 3.404 id.= 3.402 dev= -0.002 sig.= 0.000
A    142 THR O   . - A    146 ASN N   . mod.= 3.014 id.= 3.011 dev= -0.003 sig.= 0.000
A    142 THR O   . - A    146 ASN CA  . mod.= 3.865 id.= 3.861 dev= -0.004 sig.= 0.000
A    142 THR O   . - A    146 ASN C   . mod.= 5.060 id.= 5.057 dev= -0.003 sig.= 0.000
A    142 THR O   . - A    147 ALA N   . mod.= 5.102 id.= 5.100 dev= -0.002 sig.= 0.000
A    143 THR N   . - A    144 LEU CA  . mod.= 4.234 id.= 4.230 dev= -0.004 sig.= 0.000
A    143 THR CA  . - A    144 LEU CA  . mod.= 3.783 id.= 3.776 dev= -0.007 sig.= 0.000
A    143 THR CA  . - A    144 LEU O   . mod.= 5.357 id.= 5.355 dev= -0.002 sig.= 0.000
A    143 THR O   . - A    144 LEU CA  . mod.= 2.761 id.= 2.759 dev= -0.002 sig.= 0.000
A    143 THR O   . - A    144 LEU C   . mod.= 3.181 id.= 3.186 dev=  0.005 sig.= 0.000
A    143 THR O   . - A    146 ASN N   . mod.= 3.606 id.= 3.603 dev= -0.003 sig.= 0.000
A    143 THR O   . - A    146 ASN C   . mod.= 4.058 id.= 4.056 dev= -0.002 sig.= 0.000
A    144 LEU N   . - A    145 GLU CA  . mod.= 4.113 id.= 4.111 dev= -0.002 sig.= 0.000
A    144 LEU N   . - A    146 ASN C   . mod.= 5.629 id.= 5.631 dev=  0.002 sig.= 0.000
A    144 LEU CA  . - A    145 GLU C   . mod.= 4.471 id.= 4.473 dev=  0.003 sig.= 0.000
A    144 LEU CA  . - A    148 VAL CA  . mod.= 5.912 id.= 5.915 dev=  0.003 sig.= 0.000
A    144 LEU C   . - A    145 GLU O   . mod.= 3.917 id.= 3.915 dev= -0.002 sig.= 0.000
A    144 LEU C   . - A    146 ASN C   . mod.= 4.570 id.= 4.572 dev=  0.003 sig.= 0.000
A    144 LEU C   . - A    146 ASN O   . mod.= 5.656 id.= 5.658 dev=  0.002 sig.= 0.000
A    144 LEU C   . - A    147 ALA N   . mod.= 3.761 id.= 3.764 dev=  0.003 sig.= 0.000
A    144 LEU C   . - A    147 ALA CA  . mod.= 4.469 id.= 4.472 dev=  0.003 sig.= 0.000
A    144 LEU C   . - A    147 ALA C   . mod.= 4.806 id.= 4.809 dev=  0.003 sig.= 0.000
A    144 LEU O   . - A    145 GLU C   . mod.= 3.139 id.= 3.142 dev=  0.003 sig.= 0.000
A    144 LEU O   . - A    147 ALA CA  . mod.= 3.693 id.= 3.691 dev= -0.002 sig.= 0.000
A    145 GLU N   . - A    145 GLU O   . mod.= 3.503 id.= 3.501 dev= -0.003 sig.= 0.000
A    145 GLU N   . - A    146 ASN CA  . mod.= 4.175 id.= 4.172 dev= -0.003 sig.= 0.000
A    145 GLU N   . - A    148 VAL CA  . mod.= 5.497 id.= 5.501 dev=  0.004 sig.= 0.000
A    145 GLU CA  . - A    147 ALA CA  . mod.= 5.516 id.= 5.514 dev= -0.002 sig.= 0.000
A    145 GLU CA  . - A    148 VAL CA  . mod.= 5.208 id.= 5.211 dev=  0.003 sig.= 0.000
A    145 GLU C   . - A    148 VAL CA  . mod.= 4.723 id.= 4.727 dev=  0.004 sig.= 0.000
A    145 GLU O   . - A    146 ASN CA  . mod.= 2.813 id.= 2.815 dev=  0.002 sig.= 0.000
A    145 GLU O   . - A    146 ASN C   . mod.= 3.174 id.= 3.177 dev=  0.003 sig.= 0.000
A    145 GLU O   . - A    148 VAL C   . mod.= 3.955 id.= 3.953 dev= -0.002 sig.= 0.000
A    146 ASN N   . - A    147 ALA CA  . mod.= 4.233 id.= 4.231 dev= -0.002 sig.= 0.000
A    146 ASN O   . - A    147 ALA C   . mod.= 3.198 id.= 3.200 dev=  0.002 sig.= 0.000
A    147 ALA N   . - A    148 VAL CA  . mod.= 4.224 id.= 4.222 dev= -0.003 sig.= 0.000
A    147 ALA CA  . - A    148 VAL CA  . mod.= 3.839 id.= 3.835 dev= -0.005 sig.= 0.000
A    147 ALA CA  . - A    148 VAL O   . mod.= 5.371 id.= 5.369 dev= -0.002 sig.= 0.000
A    147 ALA C   . - A    148 VAL O   . mod.= 3.907 id.= 3.904 dev= -0.003 sig.= 0.000
A    147 ALA O   . - A    148 VAL CA  . mod.= 2.904 id.= 2.901 dev= -0.003 sig.= 0.000
A    147 ALA O   . - A    148 VAL C   . mod.= 3.172 id.= 3.174 dev=  0.002 sig.= 0.000
A    147 ALA O   . - A    150 TYR CA  . mod.= 3.704 id.= 3.701 dev= -0.003 sig.= 0.000
A    147 ALA O   . - A    150 TYR C   . mod.= 3.814 id.= 3.811 dev= -0.003 sig.= 0.000
A    147 ALA O   . - A    150 TYR O   . mod.= 5.000 id.= 5.004 dev=  0.005 sig.= 0.000
A    147 ALA O   . - A    151 ALA CA  . mod.= 3.863 id.= 3.861 dev= -0.002 sig.= 0.000
A    147 ALA O   . - A    151 ALA C   . mod.= 5.053 id.= 5.051 dev= -0.003 sig.= 0.000
A    148 VAL CA  . - A    149 ASN C   . mod.= 4.516 id.= 4.519 dev=  0.003 sig.= 0.000
A    148 VAL CA  . - A    150 TYR C   . mod.= 5.489 id.= 5.487 dev= -0.002 sig.= 0.000
A    148 VAL C   . - A    150 TYR CA  . mod.= 4.513 id.= 4.517 dev=  0.003 sig.= 0.000
A    148 VAL C   . - A    150 TYR O   . mod.= 5.607 id.= 5.611 dev=  0.003 sig.= 0.000
A    148 VAL C   . - A    151 ALA N   . mod.= 3.790 id.= 3.792 dev=  0.002 sig.= 0.000
A    148 VAL C   . - A    151 ALA CA  . mod.= 4.430 id.= 4.434 dev=  0.004 sig.= 0.000
A    148 VAL O   . - A    149 ASN C   . mod.= 3.154 id.= 3.156 dev=  0.002 sig.= 0.000
A    148 VAL O   . - A    150 TYR O   . mod.= 4.980 id.= 4.983 dev=  0.003 sig.= 0.000
A    148 VAL O   . - A    156 SER O   . mod.= 5.973 id.= 5.967 dev= -0.006 sig.= 0.000
A    148 VAL O   . - A    178 ASN O   . mod.= 5.313 id.= 5.316 dev=  0.003 sig.= 0.000
A    149 ASN N   . - A    150 TYR CA  . mod.= 4.185 id.= 4.188 dev=  0.003 sig.= 0.000
A    149 ASN N   . - A    152 TRP N   . mod.= 4.563 id.= 4.560 dev= -0.002 sig.= 0.000
A    149 ASN CA  . - A    150 TYR CA  . mod.= 3.834 id.= 3.840 dev=  0.007 sig.= 0.000
A    149 ASN CA  . - A    150 TYR C   . mod.= 4.384 id.= 4.388 dev=  0.004 sig.= 0.000
A    149 ASN CA  . - A    153 ASN CA  . mod.= 5.903 id.= 5.905 dev=  0.002 sig.= 0.000
A    149 ASN C   . - A    150 TYR C   . mod.= 3.065 id.= 3.069 dev=  0.004 sig.= 0.000
A    149 ASN C   . - A    150 TYR O   . mod.= 3.830 id.= 3.826 dev= -0.004 sig.= 0.000
A    149 ASN C   . - A    153 ASN C   . mod.= 5.948 id.= 5.950 dev=  0.003 sig.= 0.000
A    149 ASN O   . - A    150 TYR CA  . mod.= 2.856 id.= 2.864 dev=  0.007 sig.= 0.000
A    149 ASN O   . - A    150 TYR C   . mod.= 3.104 id.= 3.109 dev=  0.005 sig.= 0.000
A    149 ASN O   . - A    150 TYR O   . mod.= 3.485 id.= 3.480 dev= -0.005 sig.= 0.000
A    149 ASN O   . - A    152 TRP N   . mod.= 3.455 id.= 3.452 dev= -0.003 sig.= 0.000
A    149 ASN O   . - A    152 TRP CA  . mod.= 3.860 id.= 3.858 dev= -0.002 sig.= 0.000
A    149 ASN O   . - A    153 ASN C   . mod.= 4.880 id.= 4.884 dev=  0.004 sig.= 0.000
A    149 ASN O   . - A    153 ASN O   . mod.= 5.941 id.= 5.944 dev=  0.003 sig.= 0.000
A    150 TYR N   . - A    151 ALA CA  . mod.= 4.147 id.= 4.144 dev= -0.003 sig.= 0.000
A    150 TYR CA  . - A    151 ALA CA  . mod.= 3.829 id.= 3.822 dev= -0.007 sig.= 0.000
A    150 TYR CA  . - A    152 TRP CA  . mod.= 5.532 id.= 5.535 dev=  0.003 sig.= 0.000
A    150 TYR CA  . - A    152 TRP C   . mod.= 5.602 id.= 5.604 dev=  0.002 sig.= 0.000
A    150 TYR CA  . - A    153 ASN N   . mod.= 4.632 id.= 4.635 dev=  0.003 sig.= 0.000
A    150 TYR CA  . - A    153 ASN CA  . mod.= 5.161 id.= 5.167 dev=  0.006 sig.= 0.000
A    150 TYR CA  . - A    153 ASN C   . mod.= 5.717 id.= 5.719 dev=  0.003 sig.= 0.000
A    150 TYR CA  . - A    154 LYS N   . mod.= 5.389 id.= 5.392 dev=  0.003 sig.= 0.000
A    150 TYR C   . - A    151 ALA C   . mod.= 3.155 id.= 3.152 dev= -0.003 sig.= 0.000
A    150 TYR C   . - A    151 ALA O   . mod.= 4.020 id.= 4.016 dev= -0.003 sig.= 0.000
A    150 TYR C   . - A    153 ASN CA  . mod.= 4.544 id.= 4.548 dev=  0.004 sig.= 0.000
A    150 TYR C   . - A    153 ASN O   . mod.= 5.996 id.= 5.999 dev=  0.003 sig.= 0.000
A    150 TYR C   . - A    154 LYS N   . mod.= 4.257 id.= 4.259 dev=  0.002 sig.= 0.000
A    150 TYR O   . - A    151 ALA CA  . mod.= 2.834 id.= 2.838 dev=  0.004 sig.= 0.000
A    150 TYR O   . - A    151 ALA C   . mod.= 3.174 id.= 3.181 dev=  0.007 sig.= 0.000
A    150 TYR O   . - A    151 ALA O   . mod.= 3.697 id.= 3.704 dev=  0.007 sig.= 0.000
A    150 TYR O   . - A    152 TRP N   . mod.= 3.562 id.= 3.566 dev=  0.004 sig.= 0.000
A    150 TYR O   . - A    152 TRP CA  . mod.= 4.557 id.= 4.559 dev=  0.002 sig.= 0.000
A    150 TYR O   . - A    152 TRP C   . mod.= 4.281 id.= 4.278 dev= -0.003 sig.= 0.000
A    150 TYR O   . - A    153 ASN N   . mod.= 3.412 id.= 3.406 dev= -0.005 sig.= 0.000
A    150 TYR O   . - A    153 ASN CA  . mod.= 3.789 id.= 3.783 dev= -0.006 sig.= 0.000
A    150 TYR O   . - A    153 ASN C   . mod.= 3.817 id.= 3.811 dev= -0.007 sig.= 0.000
A    150 TYR O   . - A    153 ASN O   . mod.= 4.904 id.= 4.899 dev= -0.005 sig.= 0.000
A    150 TYR O   . - A    154 LYS C   . mod.= 5.158 id.= 5.161 dev=  0.002 sig.= 0.000
A    150 TYR O   . - A    155 GLY N   . mod.= 5.396 id.= 5.398 dev=  0.003 sig.= 0.000
A    151 ALA CA  . - A    152 TRP CA  . mod.= 3.843 id.= 3.849 dev=  0.005 sig.= 0.000
A    151 ALA CA  . - A    153 ASN C   . mod.= 5.527 id.= 5.524 dev= -0.004 sig.= 0.000
A    151 ALA CA  . - A    154 LYS N   . mod.= 4.553 id.= 4.551 dev= -0.002 sig.= 0.000
A    151 ALA CA  . - A    154 LYS CA  . mod.= 5.139 id.= 5.136 dev= -0.003 sig.= 0.000
A    151 ALA CA  . - A    154 LYS C   . mod.= 5.608 id.= 5.602 dev= -0.005 sig.= 0.000
A    151 ALA CA  . - A    156 SER CA  . mod.= 5.599 id.= 5.604 dev=  0.005 sig.= 0.000
A    151 ALA CA  . - A    156 SER O   . mod.= 5.639 id.= 5.646 dev=  0.007 sig.= 0.000
A    151 ALA C   . - A    154 LYS C   . mod.= 4.769 id.= 4.766 dev= -0.003 sig.= 0.000
A    151 ALA C   . - A    154 LYS O   . mod.= 5.731 id.= 5.727 dev= -0.003 sig.= 0.000
A    151 ALA C   . - A    156 SER N   . mod.= 4.118 id.= 4.114 dev= -0.004 sig.= 0.000
A    151 ALA C   . - A    156 SER O   . mod.= 4.365 id.= 4.368 dev=  0.003 sig.= 0.000
A    151 ALA O   . - A    152 TRP CA  . mod.= 2.855 id.= 2.859 dev=  0.004 sig.= 0.000
A    151 ALA O   . - A    154 LYS C   . mod.= 3.733 id.= 3.730 dev= -0.004 sig.= 0.000
A    151 ALA O   . - A    154 LYS O   . mod.= 4.620 id.= 4.616 dev= -0.003 sig.= 0.000
A    151 ALA O   . - A    156 SER N   . mod.= 3.008 id.= 3.005 dev= -0.003 sig.= 0.000
A    151 ALA O   . - A    156 SER O   . mod.= 3.912 id.= 3.917 dev=  0.005 sig.= 0.000
A    151 ALA O   . - A    157 VAL N   . mod.= 5.516 id.= 5.518 dev=  0.002 sig.= 0.000
A    152 TRP N   . - A    152 TRP O   . mod.= 3.487 id.= 3.484 dev= -0.003 sig.= 0.000
A    152 TRP N   . - A    153 ASN N   . mod.= 2.763 id.= 2.760 dev= -0.003 sig.= 0.000
A    152 TRP N   . - A    153 ASN CA  . mod.= 4.167 id.= 4.164 dev= -0.003 sig.= 0.000
A    152 TRP N   . - A    153 ASN O   . mod.= 5.953 id.= 5.951 dev= -0.002 sig.= 0.000
A    152 TRP N   . - A    156 SER N   . mod.= 4.746 id.= 4.743 dev= -0.003 sig.= 0.000
A    152 TRP CA  . - A    153 ASN CA  . mod.= 3.827 id.= 3.824 dev= -0.003 sig.= 0.000
A    152 TRP CA  . - A    153 ASN C   . mod.= 4.566 id.= 4.568 dev=  0.002 sig.= 0.000
A    152 TRP CA  . - A    157 VAL N   . mod.= 5.909 id.= 5.912 dev=  0.004 sig.= 0.000
A    152 TRP CA  . - A    178 ASN O   . mod.= 5.988 id.= 5.997 dev=  0.009 sig.= 0.000
A    152 TRP C   . - A    153 ASN C   . mod.= 3.196 id.= 3.198 dev=  0.002 sig.= 0.000
A    152 TRP C   . - A    154 LYS N   . mod.= 3.236 id.= 3.233 dev= -0.002 sig.= 0.000
A    152 TRP O   . - A    153 ASN C   . mod.= 3.195 id.= 3.199 dev=  0.004 sig.= 0.000
A    152 TRP O   . - A    154 LYS C   . mod.= 4.083 id.= 4.085 dev=  0.002 sig.= 0.000
A    152 TRP O   . - A    155 GLY C   . mod.= 4.150 id.= 4.147 dev= -0.002 sig.= 0.000
A    153 ASN N   . - A    154 LYS C   . mod.= 4.762 id.= 4.765 dev=  0.003 sig.= 0.000
A    153 ASN CA  . - A    154 LYS C   . mod.= 4.581 id.= 4.584 dev=  0.003 sig.= 0.000
A    153 ASN C   . - A    154 LYS O   . mod.= 4.446 id.= 4.444 dev= -0.002 sig.= 0.000
A    153 ASN C   . - A    155 GLY CA  . mod.= 4.655 id.= 4.657 dev=  0.002 sig.= 0.000
A    153 ASN O   . - A    154 LYS CA  . mod.= 2.803 id.= 2.799 dev= -0.004 sig.= 0.000
A    153 ASN O   . - A    154 LYS C   . mod.= 3.550 id.= 3.553 dev=  0.002 sig.= 0.000
A    154 LYS CA  . - A    155 GLY CA  . mod.= 3.834 id.= 3.837 dev=  0.003 sig.= 0.000
A    154 LYS CA  . - A    155 GLY C   . mod.= 4.873 id.= 4.877 dev=  0.004 sig.= 0.000
A    154 LYS CA  . - A    156 SER N   . mod.= 4.813 id.= 4.815 dev=  0.002 sig.= 0.000
A    154 LYS C   . - A    156 SER CA  . mod.= 5.076 id.= 5.073 dev= -0.002 sig.= 0.000
A    154 LYS O   . - A    155 GLY C   . mod.= 3.722 id.= 3.724 dev=  0.002 sig.= 0.000
A    155 GLY N   . - A    156 SER O   . mod.= 4.944 id.= 4.949 dev=  0.005 sig.= 0.000
A    155 GLY CA  . - A    156 SER CA  . mod.= 3.802 id.= 3.800 dev= -0.002 sig.= 0.000
A    155 GLY CA  . - A    156 SER O   . mod.= 4.559 id.= 4.561 dev=  0.003 sig.= 0.000
A    155 GLY CA  . - A    246 ASN N   . mod.= 5.544 id.= 5.551 dev=  0.007 sig.= 0.000
A    155 GLY CA  . - A    246 ASN CA  . mod.= 5.724 id.= 5.729 dev=  0.005 sig.= 0.000
A    155 GLY C   . - A    156 SER O   . mod.= 3.496 id.= 3.499 dev=  0.003 sig.= 0.000
A    155 GLY C   . - A    157 VAL CA  . mod.= 5.410 id.= 5.413 dev=  0.002 sig.= 0.000
A    155 GLY C   . - A    246 ASN N   . mod.= 5.160 id.= 5.163 dev=  0.002 sig.= 0.000
A    155 GLY O   . - A    156 SER O   . mod.= 3.814 id.= 3.817 dev=  0.003 sig.= 0.000
A    155 GLY O   . - A    245 ASN C   . mod.= 5.296 id.= 5.299 dev=  0.003 sig.= 0.000
A    156 SER N   . - A    156 SER O   . mod.= 2.794 id.= 2.798 dev=  0.004 sig.= 0.000
A    156 SER N   . - A    157 VAL CA  . mod.= 4.898 id.= 4.901 dev=  0.003 sig.= 0.000
A    156 SER N   . - A    157 VAL O   . mod.= 5.846 id.= 5.840 dev= -0.005 sig.= 0.000
A    156 SER N   . - A    246 ASN CA  . mod.= 5.826 id.= 5.830 dev=  0.004 sig.= 0.000
A    156 SER CA  . - A    157 VAL O   . mod.= 4.470 id.= 4.466 dev= -0.004 sig.= 0.000
A    156 SER CA  . - A    246 ASN CA  . mod.= 5.876 id.= 5.873 dev= -0.003 sig.= 0.000
A    156 SER C   . - A    158 VAL CA  . mod.= 5.103 id.= 5.101 dev= -0.003 sig.= 0.000
A    156 SER O   . - A    157 VAL CA  . mod.= 2.833 id.= 2.840 dev=  0.007 sig.= 0.000
A    156 SER O   . - A    157 VAL C   . mod.= 3.546 id.= 3.549 dev=  0.003 sig.= 0.000
A    156 SER O   . - A    158 VAL CA  . mod.= 5.088 id.= 5.085 dev= -0.003 sig.= 0.000
A    156 SER O   . - A    178 ASN O   . mod.= 5.939 id.= 5.937 dev= -0.002 sig.= 0.000
A    156 SER O   . - A    246 ASN N   . mod.= 5.980 id.= 5.985 dev=  0.004 sig.= 0.000
A    156 SER O   . - A    246 ASN C   . mod.= 5.791 id.= 5.786 dev= -0.005 sig.= 0.000
A    157 VAL N   . - A    158 VAL CA  . mod.= 4.568 id.= 4.563 dev= -0.005 sig.= 0.000
A    157 VAL N   . - A    158 VAL C   . mod.= 5.682 id.= 5.680 dev= -0.003 sig.= 0.000
A    157 VAL N   . - A    246 ASN CA  . mod.= 5.126 id.= 5.124 dev= -0.002 sig.= 0.000
A    157 VAL CA  . - A    158 VAL O   . mod.= 4.923 id.= 4.927 dev=  0.003 sig.= 0.000
A    157 VAL CA  . - A    159 VAL N   . mod.= 5.381 id.= 5.383 dev=  0.002 sig.= 0.000
A    157 VAL CA  . - A    246 ASN CA  . mod.= 5.126 id.= 5.124 dev= -0.003 sig.= 0.000
A    157 VAL CA  . - A    246 ASN C   . mod.= 5.717 id.= 5.713 dev= -0.004 sig.= 0.000
A    157 VAL CA  . - A    246 ASN O   . mod.= 5.470 id.= 5.461 dev= -0.009 sig.= 0.000
A    157 VAL C   . - A    158 VAL C   . mod.= 3.388 id.= 3.386 dev= -0.002 sig.= 0.000
A    157 VAL C   . - A    158 VAL O   . mod.= 3.959 id.= 3.962 dev=  0.002 sig.= 0.000
A    157 VAL O   . - A    158 VAL CA  . mod.= 2.722 id.= 2.716 dev= -0.006 sig.= 0.000
A    157 VAL O   . - A    158 VAL C   . mod.= 3.708 id.= 3.705 dev= -0.003 sig.= 0.000
A    157 VAL O   . - A    158 VAL O   . mod.= 4.554 id.= 4.558 dev=  0.004 sig.= 0.000
A    157 VAL O   . - A    159 VAL N   . mod.= 4.008 id.= 4.006 dev= -0.003 sig.= 0.000
A    158 VAL N   . - A    158 VAL O   . mod.= 2.851 id.= 2.855 dev=  0.004 sig.= 0.000
A    158 VAL N   . - A    159 VAL N   . mod.= 3.406 id.= 3.403 dev= -0.002 sig.= 0.000
A    158 VAL N   . - A    159 VAL C   . mod.= 5.764 id.= 5.762 dev= -0.002 sig.= 0.000
A    158 VAL N   . - A    179 VAL CA  . mod.= 5.549 id.= 5.552 dev=  0.003 sig.= 0.000
A    158 VAL CA  . - A    159 VAL CA  . mod.= 3.764 id.= 3.757 dev= -0.007 sig.= 0.000
A    158 VAL CA  . - A    159 VAL C   . mod.= 4.639 id.= 4.631 dev= -0.008 sig.= 0.000
A    158 VAL CA  . - A    159 VAL O   . mod.= 4.761 id.= 4.756 dev= -0.005 sig.= 0.000
A    158 VAL CA  . - A    160 ALA N   . mod.= 5.632 id.= 5.630 dev= -0.002 sig.= 0.000
A    158 VAL CA  . - A    179 VAL C   . mod.= 5.705 id.= 5.703 dev= -0.002 sig.= 0.000
A    158 VAL CA  . - A    180 ILE N   . mod.= 5.150 id.= 5.147 dev= -0.003 sig.= 0.000
A    158 VAL C   . - A    159 VAL C   . mod.= 3.441 id.= 3.437 dev= -0.003 sig.= 0.000
A    158 VAL C   . - A    179 VAL N   . mod.= 5.513 id.= 5.516 dev=  0.003 sig.= 0.000
A    158 VAL C   . - A    179 VAL CA  . mod.= 4.439 id.= 4.443 dev=  0.004 sig.= 0.000
A    158 VAL C   . - A    179 VAL O   . mod.= 5.980 id.= 5.987 dev=  0.006 sig.= 0.000
A    158 VAL C   . - A    180 ILE CA  . mod.= 4.917 id.= 4.919 dev=  0.002 sig.= 0.000
A    158 VAL C   . - A    180 ILE O   . mod.= 4.815 id.= 4.810 dev= -0.005 sig.= 0.000
A    158 VAL O   . - A    159 VAL C   . mod.= 3.865 id.= 3.867 dev=  0.002 sig.= 0.000
A    158 VAL O   . - A    159 VAL O   . mod.= 4.586 id.= 4.593 dev=  0.007 sig.= 0.000
A    158 VAL O   . - A    160 ALA N   . mod.= 4.428 id.= 4.432 dev=  0.005 sig.= 0.000
A    158 VAL O   . - A    160 ALA CA  . mod.= 5.730 id.= 5.734 dev=  0.004 sig.= 0.000
A    158 VAL O   . - A    178 ASN C   . mod.= 4.762 id.= 4.766 dev=  0.004 sig.= 0.000
A    158 VAL O   . - A    178 ASN O   . mod.= 4.047 id.= 4.052 dev=  0.005 sig.= 0.000
A    158 VAL O   . - A    179 VAL N   . mod.= 4.646 id.= 4.652 dev=  0.005 sig.= 0.000
A    158 VAL O   . - A    179 VAL CA  . mod.= 3.591 id.= 3.602 dev=  0.010 sig.= 0.000
A    158 VAL O   . - A    179 VAL O   . mod.= 4.908 id.= 4.911 dev=  0.003 sig.= 0.000
A    158 VAL O   . - A    180 ILE N   . mod.= 2.860 id.= 2.855 dev= -0.005 sig.= 0.000
A    158 VAL O   . - A    180 ILE CA  . mod.= 3.810 id.= 3.804 dev= -0.006 sig.= 0.000
A    158 VAL O   . - A    180 ILE C   . mod.= 4.446 id.= 4.439 dev= -0.007 sig.= 0.000
A    158 VAL O   . - A    180 ILE O   . mod.= 4.152 id.= 4.144 dev= -0.008 sig.= 0.000
A    159 VAL N   . - A    178 ASN O   . mod.= 5.939 id.= 5.931 dev= -0.008 sig.= 0.000
A    159 VAL N   . - A    179 VAL CA  . mod.= 5.342 id.= 5.337 dev= -0.005 sig.= 0.000
A    159 VAL N   . - A    180 ILE N   . mod.= 4.662 id.= 4.665 dev=  0.003 sig.= 0.000
A    159 VAL N   . - A    180 ILE CA  . mod.= 5.338 id.= 5.343 dev=  0.005 sig.= 0.000
A    159 VAL N   . - A    180 ILE C   . mod.= 5.438 id.= 5.442 dev=  0.003 sig.= 0.000
A    159 VAL CA  . - A    160 ALA C   . mod.= 4.860 id.= 4.855 dev= -0.005 sig.= 0.000
A    159 VAL CA  . - A    160 ALA O   . mod.= 5.021 id.= 5.016 dev= -0.005 sig.= 0.000
A    159 VAL CA  . - A    161 ALA N   . mod.= 5.956 id.= 5.952 dev= -0.005 sig.= 0.000
A    159 VAL CA  . - A    179 VAL CA  . mod.= 5.559 id.= 5.557 dev= -0.002 sig.= 0.000
A    159 VAL CA  . - A    180 ILE N   . mod.= 4.395 id.= 4.400 dev=  0.005 sig.= 0.000
A    159 VAL CA  . - A    180 ILE CA  . mod.= 4.725 id.= 4.731 dev=  0.006 sig.= 0.000
A    159 VAL CA  . - A    180 ILE C   . mod.= 4.527 id.= 4.531 dev=  0.004 sig.= 0.000
A    159 VAL CA  . - A    180 ILE O   . mod.= 3.569 id.= 3.566 dev= -0.003 sig.= 0.000
A    159 VAL CA  . - A    181 ALA N   . mod.= 5.750 id.= 5.761 dev=  0.011 sig.= 0.000
A    159 VAL CA  . - A    229 SER O   . mod.= 5.864 id.= 5.849 dev= -0.015 sig.= 0.000
A    159 VAL C   . - A    160 ALA C   . mod.= 3.638 id.= 3.635 dev= -0.003 sig.= 0.000
A    159 VAL C   . - A    161 ALA N   . mod.= 4.614 id.= 4.612 dev= -0.002 sig.= 0.000
A    159 VAL C   . - A    161 ALA CA  . mod.= 5.944 id.= 5.942 dev= -0.002 sig.= 0.000
A    159 VAL C   . - A    179 VAL CA  . mod.= 5.910 id.= 5.896 dev= -0.014 sig.= 0.000
A    159 VAL C   . - A    179 VAL C   . mod.= 5.818 id.= 5.813 dev= -0.005 sig.= 0.000
A    159 VAL C   . - A    180 ILE N   . mod.= 5.058 id.= 5.062 dev=  0.004 sig.= 0.000
A    159 VAL C   . - A    180 ILE CA  . mod.= 5.411 id.= 5.415 dev=  0.004 sig.= 0.000
A    159 VAL C   . - A    180 ILE C   . mod.= 4.825 id.= 4.828 dev=  0.003 sig.= 0.000
A    159 VAL C   . - A    181 ALA N   . mod.= 5.858 id.= 5.865 dev=  0.007 sig.= 0.000
A    159 VAL C   . - A    229 SER CA  . mod.= 5.993 id.= 5.988 dev= -0.005 sig.= 0.000
A    159 VAL C   . - A    229 SER O   . mod.= 5.808 id.= 5.810 dev=  0.003 sig.= 0.000
A    160 ALA N   . - A    160 ALA O   . mod.= 2.836 id.= 2.834 dev= -0.002 sig.= 0.000
A    160 ALA N   . - A    161 ALA O   . mod.= 5.410 id.= 5.412 dev=  0.003 sig.= 0.000
A    160 ALA N   . - A    179 VAL C   . mod.= 5.472 id.= 5.478 dev=  0.006 sig.= 0.000
A    160 ALA N   . - A    180 ILE N   . mod.= 4.820 id.= 4.831 dev=  0.011 sig.= 0.000
A    160 ALA N   . - A    180 ILE CA  . mod.= 4.999 id.= 5.002 dev=  0.004 sig.= 0.000
A    160 ALA N   . - A    180 ILE C   . mod.= 4.088 id.= 4.092 dev=  0.004 sig.= 0.000
A    160 ALA N   . - A    180 ILE O   . mod.= 2.912 id.= 2.910 dev= -0.002 sig.= 0.000
A    160 ALA N   . - A    181 ALA N   . mod.= 4.926 id.= 4.934 dev=  0.007 sig.= 0.000
A    160 ALA N   . - A    181 ALA CA  . mod.= 4.855 id.= 4.860 dev=  0.005 sig.= 0.000
A    160 ALA N   . - A    182 VAL N   . mod.= 5.054 id.= 5.048 dev= -0.005 sig.= 0.000
A    160 ALA N   . - A    182 VAL CA  . mod.= 5.953 id.= 5.946 dev= -0.007 sig.= 0.000
A    160 ALA N   . - A    229 SER CA  . mod.= 5.693 id.= 5.673 dev= -0.020 sig.= 0.000
A    160 ALA N   . - A    229 SER O   . mod.= 5.969 id.= 5.955 dev= -0.014 sig.= 0.000
A    160 ALA CA  . - A    161 ALA CA  . mod.= 3.761 id.= 3.764 dev=  0.003 sig.= 0.000
A    160 ALA CA  . - A    161 ALA O   . mod.= 4.186 id.= 4.182 dev= -0.004 sig.= 0.000
A    160 ALA CA  . - A    180 ILE N   . mod.= 5.936 id.= 5.943 dev=  0.007 sig.= 0.000
A    160 ALA CA  . - A    181 ALA C   . mod.= 5.661 id.= 5.665 dev=  0.004 sig.= 0.000
A    160 ALA CA  . - A    182 VAL N   . mod.= 5.120 id.= 5.123 dev=  0.003 sig.= 0.000
A    160 ALA CA  . - A    229 SER CA  . mod.= 5.630 id.= 5.634 dev=  0.004 sig.= 0.000
A    160 ALA C   . - A    161 ALA O   . mod.= 3.245 id.= 3.243 dev= -0.002 sig.= 0.000
A    160 ALA C   . - A    180 ILE C   . mod.= 5.131 id.= 5.133 dev=  0.002 sig.= 0.000
A    160 ALA C   . - A    181 ALA CA  . mod.= 4.637 id.= 4.641 dev=  0.004 sig.= 0.000
A    160 ALA C   . - A    181 ALA C   . mod.= 4.866 id.= 4.870 dev=  0.004 sig.= 0.000
A    160 ALA C   . - A    225 THR O   . mod.= 5.647 id.= 5.643 dev= -0.004 sig.= 0.000
A    160 ALA C   . - A    229 SER N   . mod.= 5.753 id.= 5.744 dev= -0.008 sig.= 0.000
A    160 ALA C   . - A    229 SER CA  . mod.= 4.954 id.= 4.949 dev= -0.005 sig.= 0.000
A    160 ALA O   . - A    161 ALA CA  . mod.= 2.809 id.= 2.811 dev=  0.002 sig.= 0.000
A    160 ALA O   . - A    161 ALA O   . mod.= 3.552 id.= 3.550 dev= -0.002 sig.= 0.000
A    160 ALA O   . - A    162 ALA C   . mod.= 5.822 id.= 5.820 dev= -0.002 sig.= 0.000
A    160 ALA O   . - A    180 ILE CA  . mod.= 5.779 id.= 5.776 dev= -0.003 sig.= 0.000
A    160 ALA O   . - A    180 ILE O   . mod.= 3.415 id.= 3.412 dev= -0.003 sig.= 0.000
A    160 ALA O   . - A    182 VAL N   . mod.= 2.825 id.= 2.823 dev= -0.002 sig.= 0.000
A    160 ALA O   . - A    182 VAL C   . mod.= 4.382 id.= 4.377 dev= -0.004 sig.= 0.000
A    160 ALA O   . - A    182 VAL O   . mod.= 4.106 id.= 4.102 dev= -0.004 sig.= 0.000
A    160 ALA O   . - A    183 GLY N   . mod.= 5.684 id.= 5.681 dev= -0.003 sig.= 0.000
A    160 ALA O   . - A    225 THR O   . mod.= 5.652 id.= 5.650 dev= -0.003 sig.= 0.000
A    160 ALA O   . - A    229 SER N   . mod.= 5.623 id.= 5.617 dev= -0.006 sig.= 0.000
A    161 ALA N   . - A    161 ALA O   . mod.= 2.712 id.= 2.706 dev= -0.006 sig.= 0.000
A    161 ALA N   . - A    163 GLY N   . mod.= 5.428 id.= 5.424 dev= -0.004 sig.= 0.000
A    161 ALA N   . - A    180 ILE O   . mod.= 5.424 id.= 5.422 dev= -0.002 sig.= 0.000
A    161 ALA N   . - A    181 ALA C   . mod.= 5.821 id.= 5.823 dev=  0.002 sig.= 0.000
A    161 ALA N   . - A    182 VAL CA  . mod.= 5.452 id.= 5.455 dev=  0.003 sig.= 0.000
A    161 ALA N   . - A    226 SER N   . mod.= 5.796 id.= 5.800 dev=  0.004 sig.= 0.000
A    161 ALA N   . - A    229 SER N   . mod.= 5.563 id.= 5.561 dev= -0.003 sig.= 0.000
A    161 ALA CA  . - A    162 ALA O   . mod.= 5.555 id.= 5.553 dev= -0.002 sig.= 0.000
A    161 ALA CA  . - A    163 GLY N   . mod.= 4.250 id.= 4.248 dev= -0.003 sig.= 0.000
A    161 ALA CA  . - A    181 ALA CA  . mod.= 5.928 id.= 5.931 dev=  0.003 sig.= 0.000
A    161 ALA CA  . - A    181 ALA C   . mod.= 5.804 id.= 5.808 dev=  0.004 sig.= 0.000
A    161 ALA CA  . - A    182 VAL N   . mod.= 4.686 id.= 4.689 dev=  0.003 sig.= 0.000
A    161 ALA CA  . - A    182 VAL CA  . mod.= 5.041 id.= 5.046 dev=  0.005 sig.= 0.000
A    161 ALA CA  . - A    182 VAL C   . mod.= 4.875 id.= 4.878 dev=  0.003 sig.= 0.000
A    161 ALA CA  . - A    182 VAL O   . mod.= 3.920 id.= 3.923 dev=  0.003 sig.= 0.000
A    161 ALA CA  . - A    226 SER C   . mod.= 5.957 id.= 5.960 dev=  0.003 sig.= 0.000
A    161 ALA CA  . - A    229 SER N   . mod.= 5.225 id.= 5.222 dev= -0.002 sig.= 0.000
A    161 ALA C   . - A    225 THR C   . mod.= 5.168 id.= 5.164 dev= -0.004 sig.= 0.000
A    161 ALA C   . - A    225 THR O   . mod.= 4.965 id.= 4.963 dev= -0.003 sig.= 0.000
A    161 ALA O   . - A    162 ALA CA  . mod.= 2.797 id.= 2.800 dev=  0.003 sig.= 0.000
A    161 ALA O   . - A    162 ALA C   . mod.= 3.207 id.= 3.209 dev=  0.002 sig.= 0.000
A    161 ALA O   . - A    181 ALA CA  . mod.= 5.543 id.= 5.541 dev= -0.002 sig.= 0.000
A    161 ALA O   . - A    181 ALA C   . mod.= 5.911 id.= 5.907 dev= -0.004 sig.= 0.000
A    161 ALA O   . - A    182 VAL N   . mod.= 5.172 id.= 5.170 dev= -0.002 sig.= 0.000
A    162 ALA N   . - A    162 ALA O   . mod.= 3.571 id.= 3.569 dev= -0.002 sig.= 0.000
A    162 ALA N   . - A    181 ALA C   . mod.= 5.001 id.= 4.998 dev= -0.002 sig.= 0.000
A    162 ALA N   . - A    225 THR C   . mod.= 5.070 id.= 5.067 dev= -0.003 sig.= 0.000
A    162 ALA CA  . - A    163 GLY C   . mod.= 4.565 id.= 4.563 dev= -0.002 sig.= 0.000
A    162 ALA CA  . - A    163 GLY O   . mod.= 4.275 id.= 4.271 dev= -0.003 sig.= 0.000
A    162 ALA CA  . - A    181 ALA CA  . mod.= 5.249 id.= 5.247 dev= -0.002 sig.= 0.000
A    162 ALA CA  . - A    181 ALA C   . mod.= 5.190 id.= 5.185 dev= -0.005 sig.= 0.000
A    162 ALA CA  . - A    182 VAL CA  . mod.= 5.076 id.= 5.072 dev= -0.004 sig.= 0.000
A    162 ALA CA  . - A    182 VAL C   . mod.= 4.464 id.= 4.462 dev= -0.002 sig.= 0.000
A    162 ALA CA  . - A    182 VAL O   . mod.= 3.832 id.= 3.830 dev= -0.002 sig.= 0.000
A    162 ALA CA  . - A    196 ASN CA  . mod.= 5.937 id.= 5.931 dev= -0.007 sig.= 0.000
A    162 ALA CA  . - A    196 ASN O   . mod.= 5.981 id.= 5.990 dev=  0.009 sig.= 0.000
A    162 ALA C   . - A    196 ASN CA  . mod.= 5.401 id.= 5.396 dev= -0.005 sig.= 0.000
A    162 ALA C   . - A    196 ASN C   . mod.= 5.979 id.= 5.985 dev=  0.006 sig.= 0.000
A    162 ALA O   . - A    164 ASN O   . mod.= 5.796 id.= 5.799 dev=  0.003 sig.= 0.000
A    162 ALA O   . - A    196 ASN N   . mod.= 5.617 id.= 5.621 dev=  0.004 sig.= 0.000
A    162 ALA O   . - A    196 ASN C   . mod.= 5.893 id.= 5.902 dev=  0.009 sig.= 0.000
A    163 GLY N   . - A    164 ASN C   . mod.= 5.490 id.= 5.493 dev=  0.003 sig.= 0.000
A    163 GLY N   . - A    196 ASN CA  . mod.= 5.623 id.= 5.619 dev= -0.004 sig.= 0.000
A    163 GLY CA  . - A    164 ASN C   . mod.= 4.444 id.= 4.447 dev=  0.003 sig.= 0.000
A    163 GLY CA  . - A    196 ASN CA  . mod.= 5.761 id.= 5.757 dev= -0.004 sig.= 0.000
A    163 GLY CA  . - A    225 THR CA  . mod.= 5.740 id.= 5.745 dev=  0.005 sig.= 0.000
A    163 GLY C   . - A    164 ASN O   . mod.= 3.327 id.= 3.325 dev= -0.003 sig.= 0.000
A    163 GLY C   . - A    196 ASN CA  . mod.= 4.823 id.= 4.816 dev= -0.006 sig.= 0.000
A    163 GLY C   . - A    225 THR N   . mod.= 5.593 id.= 5.597 dev=  0.004 sig.= 0.000
A    163 GLY C   . - A    225 THR CA  . mod.= 5.450 id.= 5.454 dev=  0.004 sig.= 0.000
A    163 GLY O   . - A    164 ASN O   . mod.= 3.800 id.= 3.797 dev= -0.003 sig.= 0.000
A    163 GLY O   . - A    165 ASN CA  . mod.= 5.204 id.= 5.201 dev= -0.003 sig.= 0.000
A    163 GLY O   . - A    194 PHE C   . mod.= 5.415 id.= 5.417 dev=  0.002 sig.= 0.000
A    163 GLY O   . - A    195 SER O   . mod.= 5.286 id.= 5.290 dev=  0.004 sig.= 0.000
A    163 GLY O   . - A    196 ASN N   . mod.= 3.196 id.= 3.192 dev= -0.004 sig.= 0.000
A    163 GLY O   . - A    196 ASN CA  . mod.= 3.770 id.= 3.760 dev= -0.010 sig.= 0.000
A    163 GLY O   . - A    196 ASN C   . mod.= 4.887 id.= 4.884 dev= -0.003 sig.= 0.000
A    163 GLY O   . - A    196 ASN O   . mod.= 5.053 id.= 5.056 dev=  0.003 sig.= 0.000
A    163 GLY O   . - A    197 TYR N   . mod.= 5.986 id.= 5.994 dev=  0.008 sig.= 0.000
A    163 GLY O   . - A    225 THR CA  . mod.= 5.230 id.= 5.232 dev=  0.002 sig.= 0.000
A    164 ASN N   . - A    164 ASN O   . mod.= 2.618 id.= 2.615 dev= -0.002 sig.= 0.000
A    164 ASN N   . - A    165 ASN CA  . mod.= 4.795 id.= 4.799 dev=  0.004 sig.= 0.000
A    164 ASN N   . - A    165 ASN C   . mod.= 5.600 id.= 5.603 dev=  0.003 sig.= 0.000
A    164 ASN N   . - A    165 ASN O   . mod.= 5.294 id.= 5.708 dev=  0.414 sig.= 0.000
A    164 ASN N   . - A    196 ASN CA  . mod.= 5.519 id.= 5.515 dev= -0.004 sig.= 0.000
A    164 ASN N   . - A    225 THR N   . mod.= 5.633 id.= 5.638 dev=  0.005 sig.= 0.000
A    164 ASN N   . - A    225 THR CA  . mod.= 5.827 id.= 5.831 dev=  0.004 sig.= 0.000
A    164 ASN CA  . - A    165 ASN C   . mod.= 4.587 id.= 4.688 dev=  0.101 sig.= 0.000
A    164 ASN CA  . - A    165 ASN O   . mod.= 4.317 id.= 4.692 dev=  0.375 sig.= 0.000
A    164 ASN CA  . - A    196 ASN N   . mod.= 4.407 id.= 4.404 dev= -0.003 sig.= 0.000
A    164 ASN CA  . - A    196 ASN CA  . mod.= 5.232 id.= 5.226 dev= -0.006 sig.= 0.000
A    164 ASN C   . - A    165 ASN C   . mod.= 3.255 id.= 3.271 dev=  0.016 sig.= 0.000
A    164 ASN C   . - A    165 ASN O   . mod.= 3.202 id.= 3.499 dev=  0.297 sig.= 0.000
A    164 ASN C   . - A    195 SER N   . mod.= 5.328 id.= 5.331 dev=  0.003 sig.= 0.000
A    164 ASN C   . - A    196 ASN CA  . mod.= 4.940 id.= 4.937 dev= -0.003 sig.= 0.000
A    164 ASN O   . - A    165 ASN CA  . mod.= 2.745 id.= 2.752 dev=  0.008 sig.= 0.000
A    164 ASN O   . - A    165 ASN C   . mod.= 3.409 id.= 3.265 dev= -0.144 sig.= 0.000
A    164 ASN O   . - A    165 ASN O   . mod.= 3.313 id.= 3.633 dev=  0.320 sig.= 0.000
A    164 ASN O   . - A    194 PHE O   . mod.= 4.554 id.= 4.557 dev=  0.003 sig.= 0.000
A    164 ASN O   . - A    195 SER C   . mod.= 5.722 id.= 5.726 dev=  0.004 sig.= 0.000
A    164 ASN O   . - A    196 ASN CA  . mod.= 5.396 id.= 5.393 dev= -0.003 sig.= 0.000
A    165 ASN N   . - A    165 ASN O   . mod.= 2.820 id.= 2.922 dev=  0.102 sig.= 0.000
A    165 ASN N   . - A    194 PHE C   . mod.= 3.722 id.= 3.718 dev= -0.004 sig.= 0.000
A    165 ASN N   . - A    195 SER CA  . mod.= 4.576 id.= 4.574 dev= -0.002 sig.= 0.000
A    165 ASN N   . - A    196 ASN N   . mod.= 4.128 id.= 4.131 dev=  0.002 sig.= 0.000
A    165 ASN CA  . - A    194 PHE CA  . mod.= 5.339 id.= 5.345 dev=  0.007 sig.= 0.000
A    165 ASN CA  . - A    194 PHE O   . mod.= 3.763 id.= 3.767 dev=  0.004 sig.= 0.000
A    165 ASN CA  . - A    195 SER N   . mod.= 5.450 id.= 5.452 dev=  0.002 sig.= 0.000
A    165 ASN CA  . - A    195 SER CA  . mod.= 5.501 id.= 5.497 dev= -0.004 sig.= 0.000
A    165 ASN CA  . - A    195 SER C   . mod.= 4.809 id.= 4.807 dev= -0.002 sig.= 0.000
A    165 ASN CA  . - A    195 SER O   . mod.= 4.835 id.= 4.829 dev= -0.006 sig.= 0.000
A    165 ASN CA  . - A    196 ASN N   . mod.= 4.791 id.= 4.788 dev= -0.003 sig.= 0.000
A    165 ASN CA  . - A    196 ASN CA  . mod.= 4.964 id.= 4.958 dev= -0.007 sig.= 0.000
A    165 ASN C   . - A    194 PHE C   . mod.= 5.290 id.= 5.638 dev=  0.348 sig.= 0.000
A    165 ASN C   . - A    194 PHE O   . mod.= 4.485 id.= 4.804 dev=  0.319 sig.= 0.000
A    165 ASN O   . - A    194 PHE CA  . mod.= 5.719 id.= 5.701 dev= -0.018 sig.= 0.000
A    165 ASN O   . - A    194 PHE C   . mod.= 5.559 id.= 5.566 dev=  0.007 sig.= 0.000
A    165 ASN O   . - A    194 PHE O   . mod.= 4.667 id.= 4.752 dev=  0.086 sig.= 0.000
A    175 SER N   . - A    176 TYR N   . mod.= 3.629 id.= 3.624 dev= -0.004 sig.= 0.000
A    175 SER N   . - A    176 TYR CA  . mod.= 4.831 id.= 4.829 dev= -0.002 sig.= 0.000
A    175 SER N   . - A    176 TYR C   . mod.= 5.905 id.= 5.901 dev= -0.004 sig.= 0.000
A    175 SER CA  . - A    176 TYR CA  . mod.= 3.818 id.= 3.822 dev=  0.003 sig.= 0.000
A    175 SER CA  . - A    176 TYR O   . mod.= 4.679 id.= 4.670 dev= -0.008 sig.= 0.000
A    175 SER CA  . - A    200 TRP O   . mod.= 5.880 id.= 5.839 dev= -0.042 sig.= 0.000
A    175 SER C   . - A    176 TYR C   . mod.= 3.523 id.= 3.526 dev=  0.003 sig.= 0.000
A    175 SER C   . - A    176 TYR O   . mod.= 3.821 id.= 3.818 dev= -0.002 sig.= 0.000
A    175 SER C   . - A    177 GLU CA  . mod.= 5.805 id.= 5.800 dev= -0.005 sig.= 0.000
A    175 SER O   . - A    176 TYR CA  . mod.= 2.772 id.= 2.777 dev=  0.005 sig.= 0.000
A    175 SER O   . - A    176 TYR O   . mod.= 4.590 id.= 4.588 dev= -0.003 sig.= 0.000
A    176 TYR N   . - A    177 GLU CA  . mod.= 4.752 id.= 4.747 dev= -0.005 sig.= 0.000
A    176 TYR N   . - A    177 GLU C   . mod.= 5.463 id.= 5.465 dev=  0.002 sig.= 0.000
A    176 TYR N   . - A    178 ASN N   . mod.= 5.498 id.= 5.495 dev= -0.004 sig.= 0.000
A    176 TYR N   . - A    179 VAL N   . mod.= 5.302 id.= 5.299 dev= -0.003 sig.= 0.000
A    176 TYR N   . - A    179 VAL CA  . mod.= 5.594 id.= 5.589 dev= -0.005 sig.= 0.000
A    176 TYR CA  . - A    177 GLU CA  . mod.= 3.798 id.= 3.807 dev=  0.009 sig.= 0.000
A    176 TYR CA  . - A    177 GLU C   . mod.= 4.548 id.= 4.553 dev=  0.005 sig.= 0.000
A    176 TYR CA  . - A    178 ASN CA  . mod.= 5.607 id.= 5.603 dev= -0.005 sig.= 0.000
A    176 TYR CA  . - A    178 ASN C   . mod.= 5.618 id.= 5.621 dev=  0.003 sig.= 0.000
A    176 TYR CA  . - A    179 VAL N   . mod.= 4.787 id.= 4.793 dev=  0.007 sig.= 0.000
A    176 TYR CA  . - A    179 VAL CA  . mod.= 5.397 id.= 5.401 dev=  0.004 sig.= 0.000
A    176 TYR CA  . - A    179 VAL C   . mod.= 5.899 id.= 5.906 dev=  0.007 sig.= 0.000
A    176 TYR CA  . - A    179 VAL O   . mod.= 5.316 id.= 5.320 dev=  0.005 sig.= 0.000
A    176 TYR C   . - A    177 GLU C   . mod.= 3.162 id.= 3.164 dev=  0.003 sig.= 0.000
A    176 TYR C   . - A    177 GLU O   . mod.= 4.031 id.= 4.028 dev= -0.003 sig.= 0.000
A    176 TYR C   . - A    178 ASN CA  . mod.= 4.585 id.= 4.581 dev= -0.004 sig.= 0.000
A    176 TYR C   . - A    178 ASN C   . mod.= 4.811 id.= 4.809 dev= -0.002 sig.= 0.000
A    176 TYR C   . - A    178 ASN O   . mod.= 5.987 id.= 5.991 dev=  0.004 sig.= 0.000
A    176 TYR O   . - A    177 GLU CA  . mod.= 2.792 id.= 2.769 dev= -0.023 sig.= 0.000
A    176 TYR O   . - A    177 GLU C   . mod.= 3.146 id.= 3.149 dev=  0.003 sig.= 0.000
A    176 TYR O   . - A    178 ASN C   . mod.= 4.521 id.= 4.517 dev= -0.003 sig.= 0.000
A    176 TYR O   . - A    179 VAL O   . mod.= 3.482 id.= 3.478 dev= -0.004 sig.= 0.000
A    177 GLU N   . - A    177 GLU O   . mod.= 3.559 id.= 3.554 dev= -0.004 sig.= 0.000
A    177 GLU N   . - A    178 ASN N   . mod.= 2.821 id.= 2.824 dev=  0.002 sig.= 0.000
A    177 GLU N   . - A    179 VAL N   . mod.= 4.441 id.= 4.444 dev=  0.003 sig.= 0.000
A    177 GLU N   . - A    179 VAL CA  . mod.= 5.581 id.= 5.583 dev=  0.002 sig.= 0.000
A    177 GLU CA  . - A    178 ASN CA  . mod.= 3.777 id.= 3.792 dev=  0.014 sig.= 0.000
A    177 GLU CA  . - A    178 ASN O   . mod.= 5.917 id.= 5.921 dev=  0.004 sig.= 0.000
A    177 GLU CA  . - A    179 VAL N   . mod.= 4.487 id.= 4.481 dev= -0.006 sig.= 0.000
A    177 GLU CA  . - A    179 VAL CA  . mod.= 5.774 id.= 5.765 dev= -0.009 sig.= 0.000
A    177 GLU CA  . - A    179 VAL O   . mod.= 5.469 id.= 5.434 dev= -0.035 sig.= 0.000
A    177 GLU C   . - A    179 VAL N   . mod.= 3.469 id.= 3.471 dev=  0.002 sig.= 0.000
A    177 GLU C   . - A    179 VAL CA  . mod.= 4.856 id.= 4.861 dev=  0.004 sig.= 0.000
A    177 GLU O   . - A    178 ASN CA  . mod.= 2.738 id.= 2.752 dev=  0.014 sig.= 0.000
A    177 GLU O   . - A    178 ASN C   . mod.= 3.707 id.= 3.704 dev= -0.003 sig.= 0.000
A    177 GLU O   . - A    178 ASN O   . mod.= 4.762 id.= 4.754 dev= -0.008 sig.= 0.000
A    177 GLU O   . - A    179 VAL CA  . mod.= 5.020 id.= 5.024 dev=  0.004 sig.= 0.000
A    178 ASN CA  . - A    179 VAL CA  . mod.= 3.797 id.= 3.792 dev= -0.005 sig.= 0.000
A    178 ASN CA  . - A    179 VAL O   . mod.= 4.824 id.= 4.828 dev=  0.004 sig.= 0.000
A    178 ASN CA  . - A    180 ILE N   . mod.= 5.405 id.= 5.407 dev=  0.003 sig.= 0.000
A    178 ASN C   . - A    179 VAL C   . mod.= 3.430 id.= 3.426 dev= -0.004 sig.= 0.000
A    178 ASN C   . - A    180 ILE CA  . mod.= 5.489 id.= 5.492 dev=  0.003 sig.= 0.000
A    178 ASN O   . - A    179 VAL CA  . mod.= 2.750 id.= 2.753 dev=  0.002 sig.= 0.000
A    178 ASN O   . - A    179 VAL C   . mod.= 3.813 id.= 3.811 dev= -0.002 sig.= 0.000
A    178 ASN O   . - A    180 ILE N   . mod.= 4.252 id.= 4.250 dev= -0.002 sig.= 0.000
A    179 VAL N   . - A    180 ILE C   . mod.= 5.513 id.= 5.505 dev= -0.008 sig.= 0.000
A    179 VAL N   . - A    181 ALA N   . mod.= 5.946 id.= 5.939 dev= -0.007 sig.= 0.000
A    179 VAL CA  . - A    180 ILE CA  . mod.= 3.809 id.= 3.819 dev=  0.010 sig.= 0.000
A    179 VAL C   . - A    180 ILE C   . mod.= 3.115 id.= 3.110 dev= -0.005 sig.= 0.000
A    179 VAL O   . - A    180 ILE C   . mod.= 3.283 id.= 3.279 dev= -0.005 sig.= 0.000
A    179 VAL O   . - A    180 ILE O   . mod.= 4.152 id.= 4.156 dev=  0.004 sig.= 0.000
A    179 VAL O   . - A    181 ALA N   . mod.= 3.329 id.= 3.323 dev= -0.006 sig.= 0.000
A    179 VAL O   . - A    181 ALA C   . mod.= 5.727 id.= 5.723 dev= -0.004 sig.= 0.000
A    179 VAL O   . - A    200 TRP O   . mod.= 5.894 id.= 5.918 dev=  0.024 sig.= 0.000
A    180 ILE N   . - A    180 ILE O   . mod.= 2.910 id.= 2.915 dev=  0.005 sig.= 0.000
A    180 ILE N   . - A    181 ALA N   . mod.= 3.324 id.= 3.332 dev=  0.008 sig.= 0.000
A    180 ILE N   . - A    181 ALA CA  . mod.= 4.573 id.= 4.579 dev=  0.007 sig.= 0.000
A    180 ILE N   . - A    181 ALA O   . mod.= 5.976 id.= 5.973 dev= -0.003 sig.= 0.000
A    180 ILE CA  . - A    181 ALA C   . mod.= 4.554 id.= 4.547 dev= -0.007 sig.= 0.000
A    180 ILE CA  . - A    181 ALA O   . mod.= 4.748 id.= 4.740 dev= -0.008 sig.= 0.000
A    180 ILE CA  . - A    182 VAL N   . mod.= 5.443 id.= 5.433 dev= -0.009 sig.= 0.000
A    180 ILE CA  . - A    202 ASP CA  . mod.= 5.914 id.= 5.910 dev= -0.004 sig.= 0.000
A    180 ILE C   . - A    181 ALA C   . mod.= 3.214 id.= 3.212 dev= -0.002 sig.= 0.000
A    180 ILE C   . - A    182 VAL N   . mod.= 4.000 id.= 3.996 dev= -0.004 sig.= 0.000
A    180 ILE C   . - A    182 VAL CA  . mod.= 5.127 id.= 5.123 dev= -0.005 sig.= 0.000
A    180 ILE C   . - A    202 ASP CA  . mod.= 5.685 id.= 5.687 dev=  0.002 sig.= 0.000
A    180 ILE O   . - A    181 ALA CA  . mod.= 2.754 id.= 2.759 dev=  0.006 sig.= 0.000
A    180 ILE O   . - A    181 ALA O   . mod.= 4.108 id.= 4.110 dev=  0.002 sig.= 0.000
A    180 ILE O   . - A    182 VAL N   . mod.= 3.753 id.= 3.748 dev= -0.005 sig.= 0.000
A    180 ILE O   . - A    182 VAL CA  . mod.= 4.838 id.= 4.832 dev= -0.006 sig.= 0.000
A    181 ALA N   . - A    182 VAL C   . mod.= 5.971 id.= 5.967 dev= -0.004 sig.= 0.000
A    181 ALA N   . - A    200 TRP O   . mod.= 5.032 id.= 5.037 dev=  0.005 sig.= 0.000
A    181 ALA N   . - A    201 VAL CA  . mod.= 5.559 id.= 5.562 dev=  0.003 sig.= 0.000
A    181 ALA N   . - A    202 ASP CA  . mod.= 4.790 id.= 4.794 dev=  0.004 sig.= 0.000
A    181 ALA N   . - A    202 ASP C   . mod.= 5.720 id.= 5.725 dev=  0.004 sig.= 0.000
A    181 ALA CA  . - A    200 TRP C   . mod.= 5.785 id.= 5.789 dev=  0.004 sig.= 0.000
A    181 ALA CA  . - A    200 TRP O   . mod.= 4.854 id.= 4.861 dev=  0.007 sig.= 0.000
A    181 ALA CA  . - A    201 VAL N   . mod.= 5.862 id.= 5.866 dev=  0.004 sig.= 0.000
A    181 ALA CA  . - A    201 VAL CA  . mod.= 4.923 id.= 4.929 dev=  0.006 sig.= 0.000
A    181 ALA CA  . - A    201 VAL C   . mod.= 5.170 id.= 5.173 dev=  0.003 sig.= 0.000
A    181 ALA CA  . - A    203 VAL N   . mod.= 5.521 id.= 5.519 dev= -0.002 sig.= 0.000
A    181 ALA C   . - A    183 GLY CA  . mod.= 5.612 id.= 5.610 dev= -0.002 sig.= 0.000
A    181 ALA C   . - A    200 TRP O   . mod.= 5.326 id.= 5.328 dev=  0.003 sig.= 0.000
A    181 ALA C   . - A    201 VAL CA  . mod.= 4.589 id.= 4.591 dev=  0.002 sig.= 0.000
A    181 ALA C   . - A    203 VAL CA  . mod.= 5.430 id.= 5.433 dev=  0.003 sig.= 0.000
A    181 ALA C   . - A    203 VAL C   . mod.= 5.236 id.= 5.234 dev= -0.002 sig.= 0.000
A    181 ALA O   . - A    183 GLY CA  . mod.= 5.604 id.= 5.600 dev= -0.004 sig.= 0.000
A    181 ALA O   . - A    200 TRP C   . mod.= 5.676 id.= 5.674 dev= -0.002 sig.= 0.000
A    181 ALA O   . - A    203 VAL CA  . mod.= 4.303 id.= 4.305 dev=  0.002 sig.= 0.000
A    182 VAL N   . - A    183 GLY CA  . mod.= 4.832 id.= 4.830 dev= -0.002 sig.= 0.000
A    182 VAL N   . - A    183 GLY C   . mod.= 5.826 id.= 5.822 dev= -0.004 sig.= 0.000
A    182 VAL N   . - A    183 GLY O   . mod.= 5.790 id.= 5.786 dev= -0.004 sig.= 0.000
A    182 VAL N   . - A    201 VAL CA  . mod.= 5.362 id.= 5.367 dev=  0.005 sig.= 0.000
A    182 VAL N   . - A    201 VAL C   . mod.= 5.605 id.= 5.609 dev=  0.004 sig.= 0.000
A    182 VAL N   . - A    202 ASP N   . mod.= 4.992 id.= 4.996 dev=  0.004 sig.= 0.000
A    182 VAL N   . - A    202 ASP CA  . mod.= 5.754 id.= 5.758 dev=  0.004 sig.= 0.000
A    182 VAL N   . - A    203 VAL CA  . mod.= 5.867 id.= 5.870 dev=  0.003 sig.= 0.000
A    182 VAL N   . - A    203 VAL C   . mod.= 5.346 id.= 5.343 dev= -0.003 sig.= 0.000
A    182 VAL N   . - A    229 SER CA  . mod.= 5.924 id.= 5.928 dev=  0.004 sig.= 0.000
A    182 VAL CA  . - A    183 GLY CA  . mod.= 3.801 id.= 3.797 dev= -0.004 sig.= 0.000
A    182 VAL CA  . - A    183 GLY C   . mod.= 4.576 id.= 4.571 dev= -0.005 sig.= 0.000
A    182 VAL CA  . - A    183 GLY O   . mod.= 4.396 id.= 4.391 dev= -0.004 sig.= 0.000
A    182 VAL CA  . - A    184 ALA N   . mod.= 5.814 id.= 5.810 dev= -0.004 sig.= 0.000
A    182 VAL CA  . - A    202 ASP N   . mod.= 5.393 id.= 5.395 dev=  0.002 sig.= 0.000
A    182 VAL CA  . - A    203 VAL CA  . mod.= 5.212 id.= 5.215 dev=  0.003 sig.= 0.000
A    182 VAL CA  . - A    203 VAL C   . mod.= 4.397 id.= 4.394 dev= -0.002 sig.= 0.000
A    182 VAL CA  . - A    225 THR O   . mod.= 5.740 id.= 5.743 dev=  0.003 sig.= 0.000
A    182 VAL CA  . - A    229 SER N   . mod.= 5.430 id.= 5.436 dev=  0.006 sig.= 0.000
A    182 VAL CA  . - A    229 SER CA  . mod.= 5.374 id.= 5.383 dev=  0.009 sig.= 0.000
A    182 VAL C   . - A    183 GLY O   . mod.= 3.451 id.= 3.449 dev= -0.002 sig.= 0.000
A    182 VAL C   . - A    184 ALA CA  . mod.= 5.609 id.= 5.606 dev= -0.002 sig.= 0.000
A    182 VAL C   . - A    203 VAL CA  . mod.= 5.861 id.= 5.863 dev=  0.002 sig.= 0.000
A    182 VAL C   . - A    203 VAL O   . mod.= 3.582 id.= 3.585 dev=  0.003 sig.= 0.000
A    182 VAL C   . - A    205 ALA N   . mod.= 5.768 id.= 5.766 dev= -0.003 sig.= 0.000
A    182 VAL C   . - A    228 ALA C   . mod.= 5.741 id.= 5.738 dev= -0.003 sig.= 0.000
A    182 VAL C   . - A    229 SER N   . mod.= 5.397 id.= 5.399 dev=  0.002 sig.= 0.000
A    182 VAL C   . - A    229 SER CA  . mod.= 5.709 id.= 5.713 dev=  0.004 sig.= 0.000
A    182 VAL O   . - A    203 VAL O   . mod.= 4.793 id.= 4.797 dev=  0.003 sig.= 0.000
A    182 VAL O   . - A    204 VAL CA  . mod.= 5.989 id.= 5.991 dev=  0.002 sig.= 0.000
A    182 VAL O   . - A    225 THR N   . mod.= 5.942 id.= 5.940 dev= -0.002 sig.= 0.000
A    182 VAL O   . - A    226 SER N   . mod.= 5.833 id.= 5.837 dev=  0.004 sig.= 0.000
A    182 VAL O   . - A    228 ALA CA  . mod.= 5.628 id.= 5.623 dev= -0.005 sig.= 0.000
A    182 VAL O   . - A    228 ALA C   . mod.= 5.453 id.= 5.449 dev= -0.004 sig.= 0.000
A    182 VAL O   . - A    229 SER CA  . mod.= 5.344 id.= 5.347 dev=  0.003 sig.= 0.000
A    183 GLY N   . - A    183 GLY O   . mod.= 2.728 id.= 2.726 dev= -0.003 sig.= 0.000
A    183 GLY N   . - A    184 ALA CA  . mod.= 4.890 id.= 4.887 dev= -0.003 sig.= 0.000
A    183 GLY N   . - A    184 ALA C   . mod.= 5.837 id.= 5.833 dev= -0.003 sig.= 0.000
A    183 GLY N   . - A    196 ASN O   . mod.= 5.553 id.= 5.556 dev=  0.002 sig.= 0.000
A    183 GLY N   . - A    201 VAL CA  . mod.= 5.627 id.= 5.623 dev= -0.004 sig.= 0.000
A    183 GLY N   . - A    203 VAL O   . mod.= 2.909 id.= 2.912 dev=  0.003 sig.= 0.000
A    183 GLY N   . - A    204 VAL C   . mod.= 5.103 id.= 5.101 dev= -0.002 sig.= 0.000
A    183 GLY N   . - A    205 ALA N   . mod.= 5.121 id.= 5.118 dev= -0.003 sig.= 0.000
A    183 GLY N   . - A    225 THR O   . mod.= 5.814 id.= 5.816 dev=  0.002 sig.= 0.000
A    183 GLY CA  . - A    185 VAL N   . mod.= 5.689 id.= 5.687 dev= -0.002 sig.= 0.000
A    183 GLY CA  . - A    196 ASN N   . mod.= 5.868 id.= 5.859 dev= -0.008 sig.= 0.000
A    183 GLY CA  . - A    203 VAL O   . mod.= 3.980 id.= 3.983 dev=  0.003 sig.= 0.000
A    183 GLY CA  . - A    204 VAL N   . mod.= 5.195 id.= 5.193 dev= -0.003 sig.= 0.000
A    183 GLY CA  . - A    205 ALA O   . mod.= 5.681 id.= 5.678 dev= -0.003 sig.= 0.000
A    183 GLY C   . - A    185 VAL CA  . mod.= 5.609 id.= 5.606 dev= -0.003 sig.= 0.000
A    183 GLY C   . - A    196 ASN O   . mod.= 5.596 id.= 5.591 dev= -0.005 sig.= 0.000
A    183 GLY C   . - A    204 VAL N   . mod.= 5.097 id.= 5.095 dev= -0.002 sig.= 0.000
A    183 GLY C   . - A    225 THR C   . mod.= 5.837 id.= 5.839 dev=  0.002 sig.= 0.000
A    183 GLY O   . - A    185 VAL CA  . mod.= 5.536 id.= 5.533 dev= -0.002 sig.= 0.000
A    183 GLY O   . - A    204 VAL CA  . mod.= 3.242 id.= 3.245 dev=  0.002 sig.= 0.000
A    183 GLY O   . - A    205 ALA C   . mod.= 4.202 id.= 4.200 dev= -0.002 sig.= 0.000
A    183 GLY O   . - A    205 ALA O   . mod.= 3.365 id.= 3.363 dev= -0.003 sig.= 0.000
A    183 GLY O   . - A    206 PRO N   . mod.= 5.500 id.= 5.495 dev= -0.005 sig.= 0.000
A    183 GLY O   . - A    206 PRO C   . mod.= 5.993 id.= 5.996 dev=  0.003 sig.= 0.000
A    183 GLY O   . - A    228 ALA N   . mod.= 5.716 id.= 5.719 dev=  0.004 sig.= 0.000
A    183 GLY O   . - A    229 SER N   . mod.= 5.546 id.= 5.549 dev=  0.003 sig.= 0.000
A    184 ALA N   . - A    184 ALA O   . mod.= 2.896 id.= 2.893 dev= -0.003 sig.= 0.000
A    184 ALA N   . - A    185 VAL CA  . mod.= 4.878 id.= 4.875 dev= -0.003 sig.= 0.000
A    184 ALA N   . - A    185 VAL C   . mod.= 5.860 id.= 5.857 dev= -0.003 sig.= 0.000
A    184 ALA N   . - A    196 ASN O   . mod.= 5.414 id.= 5.406 dev= -0.008 sig.= 0.000
A    184 ALA N   . - A    224 GLY C   . mod.= 5.938 id.= 5.935 dev= -0.003 sig.= 0.000
A    184 ALA CA  . - A    185 VAL CA  . mod.= 3.774 id.= 3.770 dev= -0.004 sig.= 0.000
A    184 ALA CA  . - A    185 VAL C   . mod.= 4.550 id.= 4.548 dev= -0.002 sig.= 0.000
A    184 ALA CA  . - A    192 ALA N   . mod.= 5.146 id.= 5.143 dev= -0.003 sig.= 0.000
A    184 ALA CA  . - A    192 ALA CA  . mod.= 5.627 id.= 5.620 dev= -0.007 sig.= 0.000
A    184 ALA CA  . - A    195 SER CA  . mod.= 5.815 id.= 5.812 dev= -0.003 sig.= 0.000
A    184 ALA CA  . - A    206 PRO N   . mod.= 5.480 id.= 5.477 dev= -0.002 sig.= 0.000
A    184 ALA CA  . - A    206 PRO CA  . mod.= 5.510 id.= 5.506 dev= -0.005 sig.= 0.000
A    184 ALA CA  . - A    206 PRO C   . mod.= 5.120 id.= 5.122 dev=  0.003 sig.= 0.000
A    184 ALA CA  . - A    207 GLY O   . mod.= 5.805 id.= 5.802 dev= -0.003 sig.= 0.000
A    184 ALA C   . - A    186 ASP N   . mod.= 4.547 id.= 4.551 dev=  0.003 sig.= 0.000
A    184 ALA C   . - A    186 ASP CA  . mod.= 5.764 id.= 5.768 dev=  0.004 sig.= 0.000
A    184 ALA C   . - A    191 LEU CA  . mod.= 4.663 id.= 4.656 dev= -0.006 sig.= 0.000
A    184 ALA C   . - A    192 ALA CA  . mod.= 4.715 id.= 4.712 dev= -0.002 sig.= 0.000
A    184 ALA C   . - A    192 ALA C   . mod.= 5.799 id.= 5.796 dev= -0.003 sig.= 0.000
A    184 ALA C   . - A    206 PRO CA  . mod.= 5.502 id.= 5.499 dev= -0.004 sig.= 0.000
A    184 ALA C   . - A    207 GLY CA  . mod.= 5.251 id.= 5.248 dev= -0.003 sig.= 0.000
A    184 ALA C   . - A    207 GLY C   . mod.= 5.798 id.= 5.793 dev= -0.004 sig.= 0.000
A    184 ALA O   . - A    186 ASP N   . mod.= 4.737 id.= 4.740 dev=  0.003 sig.= 0.000
A    184 ALA O   . - A    191 LEU CA  . mod.= 3.640 id.= 3.634 dev= -0.006 sig.= 0.000
A    184 ALA O   . - A    191 LEU O   . mod.= 4.994 id.= 5.001 dev=  0.007 sig.= 0.000
A    184 ALA O   . - A    195 SER N   . mod.= 5.741 id.= 5.737 dev= -0.004 sig.= 0.000
A    184 ALA O   . - A    205 ALA N   . mod.= 5.907 id.= 5.910 dev=  0.004 sig.= 0.000
A    184 ALA O   . - A    207 GLY N   . mod.= 5.893 id.= 5.890 dev= -0.003 sig.= 0.000
A    185 VAL N   . - A    186 ASP C   . mod.= 5.611 id.= 5.608 dev= -0.003 sig.= 0.000
A    185 VAL N   . - A    186 ASP O   . mod.= 5.335 id.= 5.328 dev= -0.007 sig.= 0.000
A    185 VAL N   . - A    191 LEU N   . mod.= 5.565 id.= 5.568 dev=  0.002 sig.= 0.000
A    185 VAL N   . - A    191 LEU CA  . mod.= 4.947 id.= 4.942 dev= -0.005 sig.= 0.000
A    185 VAL N   . - A    191 LEU C   . mod.= 5.268 id.= 5.270 dev=  0.002 sig.= 0.000
A    185 VAL N   . - A    192 ALA CA  . mod.= 5.243 id.= 5.240 dev= -0.003 sig.= 0.000
A    185 VAL N   . - A    204 VAL CA  . mod.= 5.466 id.= 5.462 dev= -0.003 sig.= 0.000
A    185 VAL N   . - A    204 VAL C   . mod.= 5.342 id.= 5.339 dev= -0.003 sig.= 0.000
A    185 VAL N   . - A    206 PRO CA  . mod.= 4.443 id.= 4.441 dev= -0.002 sig.= 0.000
A    185 VAL N   . - A    206 PRO C   . mod.= 4.635 id.= 4.637 dev=  0.002 sig.= 0.000
A    185 VAL CA  . - A    186 ASP C   . mod.= 4.577 id.= 4.575 dev= -0.002 sig.= 0.000
A    185 VAL CA  . - A    186 ASP O   . mod.= 4.271 id.= 4.265 dev= -0.005 sig.= 0.000
A    185 VAL CA  . - A    187 GLN N   . mod.= 5.897 id.= 5.894 dev= -0.003 sig.= 0.000
A    185 VAL CA  . - A    189 ASP N   . mod.= 5.836 id.= 5.829 dev= -0.007 sig.= 0.000
A    185 VAL CA  . - A    189 ASP CA  . mod.= 5.357 id.= 5.353 dev= -0.004 sig.= 0.000
A    185 VAL CA  . - A    189 ASP C   . mod.= 5.088 id.= 5.086 dev= -0.002 sig.= 0.000
A    185 VAL CA  . - A    189 ASP O   . mod.= 5.519 id.= 5.514 dev= -0.006 sig.= 0.000
A    185 VAL CA  . - A    191 LEU N   . mod.= 4.548 id.= 4.552 dev=  0.004 sig.= 0.000
A    185 VAL CA  . - A    191 LEU CA  . mod.= 4.246 id.= 4.242 dev= -0.004 sig.= 0.000
A    185 VAL CA  . - A    191 LEU C   . mod.= 4.626 id.= 4.629 dev=  0.002 sig.= 0.000
A    185 VAL CA  . - A    192 ALA CA  . mod.= 4.963 id.= 4.960 dev= -0.003 sig.= 0.000
A    185 VAL CA  . - A    205 ALA C   . mod.= 4.757 id.= 4.760 dev=  0.003 sig.= 0.000
A    185 VAL CA  . - A    206 PRO N   . mod.= 5.135 id.= 5.137 dev=  0.002 sig.= 0.000
A    185 VAL CA  . - A    207 GLY CA  . mod.= 5.721 id.= 5.719 dev= -0.002 sig.= 0.000
A    185 VAL CA  . - A    208 VAL N   . mod.= 5.940 id.= 5.935 dev= -0.005 sig.= 0.000
A    185 VAL C   . - A    186 ASP O   . mod.= 3.257 id.= 3.255 dev= -0.002 sig.= 0.000
A    185 VAL C   . - A    187 GLN CA  . mod.= 5.830 id.= 5.823 dev= -0.007 sig.= 0.000
A    185 VAL C   . - A    189 ASP N   . mod.= 5.522 id.= 5.518 dev= -0.004 sig.= 0.000
A    185 VAL C   . - A    191 LEU N   . mod.= 5.334 id.= 5.337 dev=  0.003 sig.= 0.000
A    185 VAL C   . - A    191 LEU CA  . mod.= 5.189 id.= 5.184 dev= -0.005 sig.= 0.000
A    185 VAL C   . - A    191 LEU C   . mod.= 5.233 id.= 5.235 dev=  0.002 sig.= 0.000
A    185 VAL C   . - A    191 LEU O   . mod.= 5.982 id.= 5.977 dev= -0.006 sig.= 0.000
A    185 VAL C   . - A    192 ALA CA  . mod.= 5.113 id.= 5.111 dev= -0.002 sig.= 0.000
A    185 VAL C   . - A    205 ALA C   . mod.= 5.063 id.= 5.060 dev= -0.003 sig.= 0.000
A    185 VAL C   . - A    205 ALA O   . mod.= 4.427 id.= 4.425 dev= -0.003 sig.= 0.000
A    185 VAL C   . - A    206 PRO N   . mod.= 5.065 id.= 5.063 dev= -0.003 sig.= 0.000
A    185 VAL C   . - A    206 PRO CA  . mod.= 4.374 id.= 4.372 dev= -0.002 sig.= 0.000
A    185 VAL C   . - A    206 PRO O   . mod.= 5.927 id.= 5.923 dev= -0.003 sig.= 0.000
A    185 VAL C   . - A    208 VAL CA  . mod.= 5.515 id.= 5.509 dev= -0.006 sig.= 0.000
A    185 VAL O   . - A    186 ASP O   . mod.= 3.589 id.= 3.587 dev= -0.002 sig.= 0.000
A    185 VAL O   . - A    187 GLN CA  . mod.= 5.902 id.= 5.888 dev= -0.015 sig.= 0.000
A    185 VAL O   . - A    190 ARG O   . mod.= 4.672 id.= 4.669 dev= -0.003 sig.= 0.000
A    185 VAL O   . - A    192 ALA N   . mod.= 5.409 id.= 5.406 dev= -0.003 sig.= 0.000
A    185 VAL O   . - A    192 ALA CA  . mod.= 5.675 id.= 5.669 dev= -0.007 sig.= 0.000
A    185 VAL O   . - A    205 ALA CA  . mod.= 5.956 id.= 5.951 dev= -0.006 sig.= 0.000
A    185 VAL O   . - A    205 ALA C   . mod.= 4.562 id.= 4.559 dev= -0.003 sig.= 0.000
A    185 VAL O   . - A    205 ALA O   . mod.= 3.957 id.= 3.955 dev= -0.002 sig.= 0.000
A    185 VAL O   . - A    206 PRO N   . mod.= 4.412 id.= 4.408 dev= -0.003 sig.= 0.000
A    185 VAL O   . - A    206 PRO CA  . mod.= 3.489 id.= 3.485 dev= -0.004 sig.= 0.000
A    185 VAL O   . - A    206 PRO O   . mod.= 4.838 id.= 4.834 dev= -0.004 sig.= 0.000
A    185 VAL O   . - A    208 VAL CA  . mod.= 4.616 id.= 4.612 dev= -0.005 sig.= 0.000
A    185 VAL O   . - A    208 VAL C   . mod.= 5.632 id.= 5.630 dev= -0.002 sig.= 0.000
A    185 VAL O   . - A    208 VAL O   . mod.= 5.482 id.= 5.479 dev= -0.003 sig.= 0.000
A    186 ASP N   . - A    186 ASP O   . mod.= 2.665 id.= 2.663 dev= -0.003 sig.= 0.000
A    186 ASP N   . - A    187 GLN CA  . mod.= 4.984 id.= 4.991 dev=  0.007 sig.= 0.000
A    186 ASP N   . - A    189 ASP N   . mod.= 4.691 id.= 4.689 dev= -0.002 sig.= 0.000
A    186 ASP N   . - A    189 ASP O   . mod.= 5.663 id.= 5.659 dev= -0.004 sig.= 0.000
A    186 ASP N   . - A    190 ARG N   . mod.= 4.196 id.= 4.193 dev= -0.003 sig.= 0.000
A    186 ASP N   . - A    190 ARG CA  . mod.= 4.748 id.= 4.744 dev= -0.004 sig.= 0.000
A    186 ASP N   . - A    190 ARG O   . mod.= 2.813 id.= 2.811 dev= -0.003 sig.= 0.000
A    186 ASP N   . - A    191 LEU N   . mod.= 4.984 id.= 4.988 dev=  0.005 sig.= 0.000
A    186 ASP N   . - A    191 LEU C   . mod.= 5.067 id.= 5.073 dev=  0.006 sig.= 0.000
A    186 ASP N   . - A    191 LEU O   . mod.= 5.578 id.= 5.571 dev= -0.007 sig.= 0.000
A    186 ASP N   . - A    192 ALA CA  . mod.= 5.105 id.= 5.108 dev=  0.003 sig.= 0.000
A    186 ASP N   . - A    208 VAL CA  . mod.= 5.741 id.= 5.733 dev= -0.008 sig.= 0.000
A    186 ASP CA  . - A    187 GLN CA  . mod.= 3.881 id.= 3.899 dev=  0.018 sig.= 0.000
A    186 ASP CA  . - A    187 GLN C   . mod.= 4.612 id.= 4.617 dev=  0.005 sig.= 0.000
A    186 ASP CA  . - A    190 ARG N   . mod.= 4.930 id.= 4.927 dev= -0.004 sig.= 0.000
A    186 ASP CA  . - A    190 ARG CA  . mod.= 5.591 id.= 5.587 dev= -0.004 sig.= 0.000
A    186 ASP CA  . - A    192 ALA N   . mod.= 5.724 id.= 5.730 dev=  0.006 sig.= 0.000
A    186 ASP CA  . - A    192 ALA CA  . mod.= 5.841 id.= 5.849 dev=  0.007 sig.= 0.000
A    186 ASP CA  . - A    206 PRO CA  . mod.= 5.572 id.= 5.565 dev= -0.007 sig.= 0.000
A    186 ASP CA  . - A    206 PRO C   . mod.= 5.993 id.= 5.988 dev= -0.006 sig.= 0.000
A    186 ASP CA  . - A    207 GLY C   . mod.= 5.822 id.= 5.825 dev=  0.004 sig.= 0.000
A    186 ASP CA  . - A    208 VAL C   . mod.= 5.737 id.= 5.735 dev= -0.002 sig.= 0.000
A    186 ASP CA  . - A    208 VAL O   . mod.= 5.376 id.= 5.367 dev= -0.009 sig.= 0.000
A    186 ASP C   . - A    187 GLN C   . mod.= 3.254 id.= 3.256 dev=  0.002 sig.= 0.000
A    186 ASP C   . - A    188 TYR C   . mod.= 4.793 id.= 4.795 dev=  0.002 sig.= 0.000
A    186 ASP C   . - A    189 ASP N   . mod.= 4.068 id.= 4.072 dev=  0.004 sig.= 0.000
A    186 ASP C   . - A    189 ASP CA  . mod.= 4.865 id.= 4.872 dev=  0.006 sig.= 0.000
A    186 ASP C   . - A    189 ASP C   . mod.= 5.426 id.= 5.432 dev=  0.006 sig.= 0.000
A    186 ASP C   . - A    190 ARG N   . mod.= 4.987 id.= 4.989 dev=  0.002 sig.= 0.000
A    186 ASP C   . - A    190 ARG C   . mod.= 5.785 id.= 5.789 dev=  0.004 sig.= 0.000
A    186 ASP C   . - A    190 ARG O   . mod.= 4.755 id.= 4.757 dev=  0.002 sig.= 0.000
A    186 ASP C   . - A    206 PRO CA  . mod.= 5.415 id.= 5.406 dev= -0.008 sig.= 0.000
A    186 ASP C   . - A    207 GLY N   . mod.= 5.691 id.= 5.689 dev= -0.003 sig.= 0.000
A    186 ASP C   . - A    208 VAL N   . mod.= 5.593 id.= 5.598 dev=  0.005 sig.= 0.000
A    186 ASP C   . - A    208 VAL CA  . mod.= 5.877 id.= 5.883 dev=  0.006 sig.= 0.000
A    186 ASP C   . - A    208 VAL O   . mod.= 5.606 id.= 5.611 dev=  0.004 sig.= 0.000
A    186 ASP O   . - A    187 GLN CA  . mod.= 2.980 id.= 2.950 dev= -0.030 sig.= 0.000
A    186 ASP O   . - A    187 GLN C   . mod.= 3.243 id.= 3.237 dev= -0.006 sig.= 0.000
A    186 ASP O   . - A    188 TYR N   . mod.= 3.266 id.= 3.261 dev= -0.006 sig.= 0.000
A    186 ASP O   . - A    188 TYR CA  . mod.= 4.321 id.= 4.313 dev= -0.008 sig.= 0.000
A    186 ASP O   . - A    188 TYR O   . mod.= 5.432 id.= 5.429 dev= -0.003 sig.= 0.000
A    186 ASP O   . - A    189 ASP CA  . mod.= 3.961 id.= 3.966 dev=  0.004 sig.= 0.000
A    186 ASP O   . - A    189 ASP C   . mod.= 4.727 id.= 4.730 dev=  0.003 sig.= 0.000
A    186 ASP O   . - A    189 ASP O   . mod.= 5.797 id.= 5.795 dev= -0.003 sig.= 0.000
A    186 ASP O   . - A    190 ARG CA  . mod.= 5.730 id.= 5.727 dev= -0.003 sig.= 0.000
A    186 ASP O   . - A    206 PRO N   . mod.= 5.806 id.= 5.798 dev= -0.008 sig.= 0.000
A    187 GLN N   . - A    189 ASP CA  . mod.= 5.600 id.= 5.602 dev=  0.002 sig.= 0.000
A    187 GLN N   . - A    190 ARG O   . mod.= 5.739 id.= 5.742 dev=  0.003 sig.= 0.000
A    187 GLN N   . - A    208 VAL O   . mod.= 5.434 id.= 5.444 dev=  0.011 sig.= 0.000
A    187 GLN CA  . - A    188 TYR CA  . mod.= 3.813 id.= 3.828 dev=  0.015 sig.= 0.000
A    187 GLN CA  . - A    188 TYR C   . mod.= 4.757 id.= 4.762 dev=  0.005 sig.= 0.000
A    187 GLN CA  . - A    188 TYR O   . mod.= 5.926 id.= 5.933 dev=  0.007 sig.= 0.000
A    187 GLN CA  . - A    189 ASP N   . mod.= 4.563 id.= 4.555 dev= -0.008 sig.= 0.000
A    187 GLN CA  . - A    189 ASP CA  . mod.= 5.829 id.= 5.815 dev= -0.014 sig.= 0.000
A    187 GLN C   . - A    189 ASP CA  . mod.= 4.919 id.= 4.916 dev= -0.003 sig.= 0.000
A    187 GLN C   . - A    190 ARG N   . mod.= 5.711 id.= 5.714 dev=  0.003 sig.= 0.000
A    187 GLN O   . - A    188 TYR CA  . mod.= 2.836 id.= 2.829 dev= -0.007 sig.= 0.000
A    188 TYR N   . - A    188 TYR O   . mod.= 3.579 id.= 3.576 dev= -0.003 sig.= 0.000
A    188 TYR N   . - A    190 ARG O   . mod.= 5.863 id.= 5.867 dev=  0.004 sig.= 0.000
A    188 TYR CA  . - A    189 ASP CA  . mod.= 3.840 id.= 3.834 dev= -0.006 sig.= 0.000
A    188 TYR CA  . - A    189 ASP O   . mod.= 5.654 id.= 5.649 dev= -0.005 sig.= 0.000
A    188 TYR CA  . - A    190 ARG CA  . mod.= 5.493 id.= 5.496 dev=  0.003 sig.= 0.000
A    188 TYR C   . - A    190 ARG C   . mod.= 5.536 id.= 5.539 dev=  0.003 sig.= 0.000
A    188 TYR C   . - A    190 ARG O   . mod.= 5.459 id.= 5.462 dev=  0.002 sig.= 0.000
A    188 TYR O   . - A    189 ASP CA  . mod.= 2.891 id.= 2.893 dev=  0.002 sig.= 0.000
A    188 TYR O   . - A    190 ARG CA  . mod.= 4.371 id.= 4.368 dev= -0.003 sig.= 0.000
A    189 ASP N   . - A    189 ASP O   . mod.= 3.629 id.= 3.624 dev= -0.005 sig.= 0.000
A    189 ASP N   . - A    190 ARG N   . mod.= 2.809 id.= 2.812 dev=  0.003 sig.= 0.000
A    189 ASP CA  . - A    190 ARG CA  . mod.= 3.800 id.= 3.803 dev=  0.003 sig.= 0.000
A    189 ASP CA  . - A    190 ARG C   . mod.= 4.469 id.= 4.471 dev=  0.002 sig.= 0.000
A    189 ASP CA  . - A    190 ARG O   . mod.= 4.473 id.= 4.476 dev=  0.003 sig.= 0.000
A    189 ASP CA  . - A    191 LEU N   . mod.= 5.470 id.= 5.473 dev=  0.003 sig.= 0.000
A    189 ASP C   . - A    190 ARG C   . mod.= 3.193 id.= 3.195 dev=  0.002 sig.= 0.000
A    189 ASP C   . - A    190 ARG O   . mod.= 3.526 id.= 3.529 dev=  0.003 sig.= 0.000
A    189 ASP C   . - A    191 LEU N   . mod.= 4.096 id.= 4.099 dev=  0.003 sig.= 0.000
A    189 ASP O   . - A    190 ARG CA  . mod.= 2.740 id.= 2.747 dev=  0.007 sig.= 0.000
A    189 ASP O   . - A    191 LEU CA  . mod.= 5.189 id.= 5.187 dev= -0.003 sig.= 0.000
A    189 ASP O   . - A    261 SER N   . mod.= 5.731 id.= 5.727 dev= -0.004 sig.= 0.000
A    189 ASP O   . - A    261 SER C   . mod.= 5.972 id.= 5.975 dev=  0.003 sig.= 0.000
A    189 ASP O   . - A    261 SER O   . mod.= 4.981 id.= 4.972 dev= -0.009 sig.= 0.000
A    190 ARG N   . - A    191 LEU N   . mod.= 3.495 id.= 3.499 dev=  0.004 sig.= 0.000
A    190 ARG N   . - A    191 LEU C   . mod.= 5.379 id.= 5.383 dev=  0.005 sig.= 0.000
A    190 ARG CA  . - A    191 LEU CA  . mod.= 3.824 id.= 3.831 dev=  0.008 sig.= 0.000
A    190 ARG CA  . - A    191 LEU C   . mod.= 4.427 id.= 4.435 dev=  0.008 sig.= 0.000
A    190 ARG CA  . - A    191 LEU O   . mod.= 4.356 id.= 4.359 dev=  0.004 sig.= 0.000
A    190 ARG C   . - A    191 LEU C   . mod.= 3.062 id.= 3.066 dev=  0.004 sig.= 0.000
A    190 ARG C   . - A    192 ALA CA  . mod.= 4.928 id.= 4.932 dev=  0.004 sig.= 0.000
A    190 ARG C   . - A    192 ALA C   . mod.= 5.947 id.= 5.951 dev=  0.003 sig.= 0.000
A    190 ARG O   . - A    191 LEU CA  . mod.= 2.842 id.= 2.845 dev=  0.003 sig.= 0.000
A    190 ARG O   . - A    191 LEU C   . mod.= 3.075 id.= 3.081 dev=  0.007 sig.= 0.000
A    190 ARG O   . - A    192 ALA CA  . mod.= 4.368 id.= 4.372 dev=  0.004 sig.= 0.000
A    190 ARG O   . - A    192 ALA C   . mod.= 5.611 id.= 5.614 dev=  0.003 sig.= 0.000
A    191 LEU N   . - A    191 LEU O   . mod.= 2.794 id.= 2.803 dev=  0.009 sig.= 0.000
A    191 LEU N   . - A    192 ALA CA  . mod.= 4.752 id.= 4.757 dev=  0.005 sig.= 0.000
A    191 LEU N   . - A    192 ALA C   . mod.= 5.522 id.= 5.526 dev=  0.004 sig.= 0.000
A    191 LEU N   . - A    192 ALA O   . mod.= 5.663 id.= 5.660 dev= -0.002 sig.= 0.000
A    191 LEU N   . - A    261 SER O   . mod.= 5.885 id.= 5.891 dev=  0.007 sig.= 0.000
A    191 LEU CA  . - A    192 ALA C   . mod.= 4.454 id.= 4.456 dev=  0.002 sig.= 0.000
A    191 LEU CA  . - A    192 ALA O   . mod.= 4.415 id.= 4.412 dev= -0.003 sig.= 0.000
A    191 LEU CA  . - A    193 SER N   . mod.= 5.459 id.= 5.462 dev=  0.003 sig.= 0.000
A    191 LEU C   . - A    192 ALA O   . mod.= 3.272 id.= 3.267 dev= -0.005 sig.= 0.000
A    191 LEU C   . - A    193 SER CA  . mod.= 5.116 id.= 5.118 dev=  0.002 sig.= 0.000
A    191 LEU O   . - A    192 ALA C   . mod.= 3.155 id.= 3.158 dev=  0.004 sig.= 0.000
A    191 LEU O   . - A    192 ALA O   . mod.= 3.570 id.= 3.575 dev=  0.005 sig.= 0.000
A    191 LEU O   . - A    193 SER CA  . mod.= 4.707 id.= 4.710 dev=  0.003 sig.= 0.000
A    192 ALA N   . - A    194 PHE N   . mod.= 5.545 id.= 5.548 dev=  0.003 sig.= 0.000
A    192 ALA N   . - A    195 SER CA  . mod.= 5.461 id.= 5.464 dev=  0.004 sig.= 0.000
A    192 ALA CA  . - A    193 SER CA  . mod.= 3.866 id.= 3.862 dev= -0.004 sig.= 0.000
A    192 ALA CA  . - A    193 SER O   . mod.= 5.524 id.= 5.521 dev= -0.003 sig.= 0.000
A    192 ALA CA  . - A    194 PHE CA  . mod.= 5.462 id.= 5.465 dev=  0.003 sig.= 0.000
A    192 ALA CA  . - A    194 PHE C   . mod.= 5.510 id.= 5.517 dev=  0.008 sig.= 0.000
A    192 ALA CA  . - A    195 SER CA  . mod.= 5.218 id.= 5.221 dev=  0.003 sig.= 0.000
A    192 ALA C   . - A    193 SER O   . mod.= 4.030 id.= 4.027 dev= -0.002 sig.= 0.000
A    192 ALA C   . - A    194 PHE C   . mod.= 4.513 id.= 4.517 dev=  0.004 sig.= 0.000
A    192 ALA C   . - A    194 PHE O   . mod.= 5.691 id.= 5.693 dev=  0.002 sig.= 0.000
A    192 ALA C   . - A    195 SER CA  . mod.= 4.551 id.= 4.554 dev=  0.003 sig.= 0.000
A    192 ALA C   . - A    195 SER C   . mod.= 5.506 id.= 5.504 dev= -0.002 sig.= 0.000
A    192 ALA C   . - A    195 SER O   . mod.= 5.350 id.= 5.348 dev= -0.002 sig.= 0.000
A    192 ALA O   . - A    193 SER CA  . mod.= 2.914 id.= 2.917 dev=  0.003 sig.= 0.000
A    192 ALA O   . - A    193 SER O   . mod.= 3.704 id.= 3.700 dev= -0.005 sig.= 0.000
A    192 ALA O   . - A    195 SER CA  . mod.= 3.670 id.= 3.673 dev=  0.003 sig.= 0.000
A    192 ALA O   . - A    195 SER C   . mod.= 4.430 id.= 4.426 dev= -0.004 sig.= 0.000
A    192 ALA O   . - A    195 SER O   . mod.= 4.191 id.= 4.185 dev= -0.006 sig.= 0.000
A    193 SER N   . - A    193 SER O   . mod.= 3.587 id.= 3.590 dev=  0.002 sig.= 0.000
A    193 SER CA  . - A    194 PHE CA  . mod.= 3.810 id.= 3.802 dev= -0.007 sig.= 0.000
A    193 SER CA  . - A    194 PHE C   . mod.= 4.561 id.= 4.556 dev= -0.004 sig.= 0.000
A    193 SER CA  . - A    194 PHE O   . mod.= 5.722 id.= 5.718 dev= -0.003 sig.= 0.000
A    193 SER CA  . - A    195 SER CA  . mod.= 5.616 id.= 5.619 dev=  0.002 sig.= 0.000
A    193 SER CA  . - A    195 SER O   . mod.= 5.830 id.= 5.836 dev=  0.007 sig.= 0.000
A    193 SER C   . - A    194 PHE C   . mod.= 3.254 id.= 3.251 dev= -0.003 sig.= 0.000
A    193 SER O   . - A    194 PHE C   . mod.= 3.355 id.= 3.350 dev= -0.005 sig.= 0.000
A    193 SER O   . - A    195 SER N   . mod.= 3.568 id.= 3.570 dev=  0.002 sig.= 0.000
A    193 SER O   . - A    195 SER C   . mod.= 5.048 id.= 5.052 dev=  0.004 sig.= 0.000
A    193 SER O   . - A    195 SER O   . mod.= 4.470 id.= 4.473 dev=  0.003 sig.= 0.000
A    194 PHE CA  . - A    195 SER CA  . mod.= 3.834 id.= 3.831 dev= -0.003 sig.= 0.000
A    194 PHE CA  . - A    195 SER C   . mod.= 4.648 id.= 4.644 dev= -0.003 sig.= 0.000
A    194 PHE C   . - A    195 SER C   . mod.= 3.215 id.= 3.211 dev= -0.004 sig.= 0.000
A    194 PHE C   . - A    195 SER O   . mod.= 3.554 id.= 3.551 dev= -0.003 sig.= 0.000
A    194 PHE C   . - A    196 ASN CA  . mod.= 5.391 id.= 5.393 dev=  0.003 sig.= 0.000
A    194 PHE O   . - A    195 SER O   . mod.= 3.738 id.= 3.740 dev=  0.002 sig.= 0.000
A    194 PHE O   . - A    196 ASN CA  . mod.= 4.974 id.= 4.978 dev=  0.004 sig.= 0.000
A    195 SER N   . - A    196 ASN CA  . mod.= 4.971 id.= 4.977 dev=  0.006 sig.= 0.000
A    195 SER CA  . - A    196 ASN CA  . mod.= 3.813 id.= 3.815 dev=  0.002 sig.= 0.000
A    195 SER CA  . - A    197 TYR N   . mod.= 5.433 id.= 5.430 dev= -0.003 sig.= 0.000
A    195 SER C   . - A    197 TYR CA  . mod.= 5.095 id.= 5.099 dev=  0.004 sig.= 0.000
A    195 SER O   . - A    196 ASN CA  . mod.= 2.811 id.= 2.825 dev=  0.014 sig.= 0.000
A    195 SER O   . - A    197 TYR N   . mod.= 3.908 id.= 3.897 dev= -0.011 sig.= 0.000
A    195 SER O   . - A    197 TYR CA  . mod.= 4.815 id.= 4.821 dev=  0.006 sig.= 0.000
A    196 ASN N   . - A    197 TYR N   . mod.= 3.563 id.= 3.567 dev=  0.004 sig.= 0.000
A    196 ASN N   . - A    197 TYR CA  . mod.= 4.751 id.= 4.748 dev= -0.002 sig.= 0.000
A    196 ASN CA  . - A    197 TYR CA  . mod.= 3.799 id.= 3.793 dev= -0.006 sig.= 0.000
A    196 ASN CA  . - A    197 TYR C   . mod.= 4.799 id.= 4.793 dev= -0.006 sig.= 0.000
A    196 ASN CA  . - A    197 TYR O   . mod.= 4.795 id.= 4.788 dev= -0.007 sig.= 0.000
A    196 ASN O   . - A    197 TYR CA  . mod.= 2.740 id.= 2.733 dev= -0.007 sig.= 0.000
A    197 TYR N   . - A    198 GLY C   . mod.= 5.706 id.= 5.711 dev=  0.005 sig.= 0.000
A    197 TYR N   . - A    198 GLY O   . mod.= 5.469 id.= 5.476 dev=  0.007 sig.= 0.000
A    197 TYR N   . - A    266 TYR C   . mod.= 5.884 id.= 5.880 dev= -0.004 sig.= 0.000
A    197 TYR CA  . - A    198 GLY C   . mod.= 4.566 id.= 4.564 dev= -0.003 sig.= 0.000
A    197 TYR CA  . - A    198 GLY O   . mod.= 4.331 id.= 4.325 dev= -0.007 sig.= 0.000
A    197 TYR CA  . - A    265 THR O   . mod.= 5.927 id.= 5.930 dev=  0.003 sig.= 0.000
A    197 TYR CA  . - A    266 TYR O   . mod.= 3.452 id.= 3.450 dev= -0.002 sig.= 0.000
A    197 TYR CA  . - A    267 PHE N   . mod.= 5.626 id.= 5.624 dev= -0.003 sig.= 0.000
A    197 TYR C   . - A    198 GLY O   . mod.= 3.507 id.= 3.505 dev= -0.002 sig.= 0.000
A    197 TYR C   . - A    201 VAL N   . mod.= 5.435 id.= 5.432 dev= -0.003 sig.= 0.000
A    197 TYR C   . - A    201 VAL CA  . mod.= 5.777 id.= 5.774 dev= -0.003 sig.= 0.000
A    198 GLY N   . - A    201 VAL CA  . mod.= 5.491 id.= 5.488 dev= -0.002 sig.= 0.000
A    198 GLY CA  . - A    200 TRP CA  . mod.= 5.466 id.= 5.460 dev= -0.006 sig.= 0.000
A    198 GLY CA  . - A    267 PHE CA  . mod.= 5.312 id.= 5.316 dev=  0.003 sig.= 0.000
A    198 GLY C   . - A    200 TRP CA  . mod.= 4.460 id.= 4.457 dev= -0.003 sig.= 0.000
A    198 GLY C   . - A    200 TRP O   . mod.= 5.906 id.= 5.903 dev= -0.003 sig.= 0.000
A    198 GLY C   . - A    201 VAL C   . mod.= 5.337 id.= 5.340 dev=  0.003 sig.= 0.000
A    198 GLY C   . - A    265 THR C   . mod.= 4.424 id.= 4.422 dev= -0.002 sig.= 0.000
A    198 GLY C   . - A    266 TYR N   . mod.= 4.814 id.= 4.811 dev= -0.002 sig.= 0.000
A    198 GLY C   . - A    266 TYR C   . mod.= 3.773 id.= 3.771 dev= -0.002 sig.= 0.000
A    198 GLY C   . - A    267 PHE CA  . mod.= 4.322 id.= 4.325 dev=  0.002 sig.= 0.000
A    198 GLY C   . - A    268 LYS N   . mod.= 5.231 id.= 5.233 dev=  0.002 sig.= 0.000
A    198 GLY O   . - A    200 TRP O   . mod.= 5.227 id.= 5.223 dev= -0.004 sig.= 0.000
A    198 GLY O   . - A    201 VAL CA  . mod.= 3.709 id.= 3.707 dev= -0.002 sig.= 0.000
A    198 GLY O   . - A    265 THR O   . mod.= 4.265 id.= 4.267 dev=  0.002 sig.= 0.000
A    198 GLY O   . - A    266 TYR CA  . mod.= 4.417 id.= 4.414 dev= -0.003 sig.= 0.000
A    198 GLY O   . - A    266 TYR C   . mod.= 3.382 id.= 3.380 dev= -0.003 sig.= 0.000
A    199 THR N   . - A    199 THR O   . mod.= 3.672 id.= 3.670 dev= -0.002 sig.= 0.000
A    199 THR N   . - A    200 TRP N   . mod.= 2.786 id.= 2.783 dev= -0.003 sig.= 0.000
A    199 THR N   . - A    200 TRP CA  . mod.= 4.220 id.= 4.216 dev= -0.004 sig.= 0.000
A    199 THR N   . - A    201 VAL N   . mod.= 4.348 id.= 4.350 dev=  0.002 sig.= 0.000
A    199 THR N   . - A    201 VAL C   . mod.= 5.792 id.= 5.795 dev=  0.003 sig.= 0.000
A    199 THR N   . - A    201 VAL O   . mod.= 5.212 id.= 5.214 dev=  0.002 sig.= 0.000
A    199 THR N   . - A    265 THR N   . mod.= 5.824 id.= 5.822 dev= -0.003 sig.= 0.000
A    199 THR N   . - A    267 PHE N   . mod.= 4.700 id.= 4.702 dev=  0.002 sig.= 0.000
A    199 THR N   . - A    267 PHE CA  . mod.= 4.875 id.= 4.879 dev=  0.004 sig.= 0.000
A    199 THR N   . - A    267 PHE C   . mod.= 5.104 id.= 5.106 dev=  0.002 sig.= 0.000
A    199 THR N   . - A    267 PHE O   . mod.= 5.538 id.= 5.540 dev=  0.002 sig.= 0.000
A    199 THR N   . - A    268 LYS CA  . mod.= 5.898 id.= 5.900 dev=  0.002 sig.= 0.000
A    199 THR CA  . - A    200 TRP CA  . mod.= 3.818 id.= 3.816 dev= -0.002 sig.= 0.000
A    199 THR CA  . - A    200 TRP C   . mod.= 4.429 id.= 4.426 dev= -0.003 sig.= 0.000
A    199 THR CA  . - A    200 TRP O   . mod.= 5.541 id.= 5.535 dev= -0.006 sig.= 0.000
A    199 THR CA  . - A    265 THR O   . mod.= 4.439 id.= 4.442 dev=  0.003 sig.= 0.000
A    199 THR CA  . - A    266 TYR C   . mod.= 5.119 id.= 5.117 dev= -0.002 sig.= 0.000
A    199 THR C   . - A    201 VAL N   . mod.= 3.238 id.= 3.241 dev=  0.003 sig.= 0.000
A    199 THR C   . - A    201 VAL CA  . mod.= 4.478 id.= 4.480 dev=  0.002 sig.= 0.000
A    199 THR C   . - A    201 VAL O   . mod.= 4.057 id.= 4.059 dev=  0.002 sig.= 0.000
A    199 THR O   . - A    200 TRP CA  . mod.= 2.843 id.= 2.850 dev=  0.007 sig.= 0.000
A    199 THR O   . - A    267 PHE C   . mod.= 4.924 id.= 4.921 dev= -0.002 sig.= 0.000
A    200 TRP N   . - A    200 TRP O   . mod.= 3.572 id.= 3.570 dev= -0.002 sig.= 0.000
A    200 TRP N   . - A    201 VAL N   . mod.= 2.715 id.= 2.717 dev=  0.002 sig.= 0.000
A    200 TRP N   . - A    267 PHE CA  . mod.= 5.910 id.= 5.908 dev= -0.002 sig.= 0.000
A    200 TRP N   . - A    268 LYS N   . mod.= 5.552 id.= 5.548 dev= -0.005 sig.= 0.000
A    200 TRP CA  . - A    201 VAL CA  . mod.= 3.874 id.= 3.881 dev=  0.007 sig.= 0.000
A    200 TRP CA  . - A    201 VAL C   . mod.= 4.417 id.= 4.425 dev=  0.008 sig.= 0.000
A    200 TRP CA  . - A    201 VAL O   . mod.= 4.668 id.= 4.677 dev=  0.010 sig.= 0.000
A    200 TRP CA  . - A    202 ASP N   . mod.= 5.020 id.= 5.028 dev=  0.007 sig.= 0.000
A    200 TRP CA  . - A    202 ASP CA  . mod.= 5.938 id.= 5.948 dev=  0.010 sig.= 0.000
A    200 TRP C   . - A    202 ASP N   . mod.= 3.638 id.= 3.634 dev= -0.003 sig.= 0.000
A    200 TRP C   . - A    202 ASP CA  . mod.= 4.737 id.= 4.734 dev= -0.003 sig.= 0.000
A    200 TRP C   . - A    202 ASP C   . mod.= 5.954 id.= 5.952 dev= -0.002 sig.= 0.000
A    200 TRP O   . - A    201 VAL CA  . mod.= 2.780 id.= 2.783 dev=  0.002 sig.= 0.000
A    200 TRP O   . - A    202 ASP CA  . mod.= 4.382 id.= 4.385 dev=  0.002 sig.= 0.000
A    200 TRP O   . - A    202 ASP C   . mod.= 5.751 id.= 5.753 dev=  0.003 sig.= 0.000
A    201 VAL N   . - A    268 LYS N   . mod.= 5.082 id.= 5.084 dev=  0.002 sig.= 0.000
A    201 VAL CA  . - A    202 ASP C   . mod.= 4.577 id.= 4.575 dev= -0.002 sig.= 0.000
A    201 VAL CA  . - A    202 ASP O   . mod.= 5.303 id.= 5.298 dev= -0.005 sig.= 0.000
A    201 VAL CA  . - A    203 VAL CA  . mod.= 5.923 id.= 5.918 dev= -0.005 sig.= 0.000
A    201 VAL CA  . - A    203 VAL O   . mod.= 5.273 id.= 5.277 dev=  0.004 sig.= 0.000
A    201 VAL C   . - A    202 ASP O   . mod.= 3.812 id.= 3.809 dev= -0.003 sig.= 0.000
A    201 VAL C   . - A    203 VAL CA  . mod.= 4.799 id.= 4.796 dev= -0.002 sig.= 0.000
A    201 VAL C   . - A    203 VAL C   . mod.= 5.149 id.= 5.153 dev=  0.004 sig.= 0.000
A    201 VAL C   . - A    203 VAL O   . mod.= 4.724 id.= 4.730 dev=  0.006 sig.= 0.000
A    201 VAL C   . - A    267 PHE N   . mod.= 5.602 id.= 5.605 dev=  0.003 sig.= 0.000
A    201 VAL C   . - A    267 PHE CA  . mod.= 4.332 id.= 4.335 dev=  0.002 sig.= 0.000
A    201 VAL C   . - A    267 PHE O   . mod.= 5.929 id.= 5.932 dev=  0.002 sig.= 0.000
A    201 VAL C   . - A    268 LYS N   . mod.= 3.978 id.= 3.981 dev=  0.003 sig.= 0.000
A    201 VAL C   . - A    269 TYR N   . mod.= 5.749 id.= 5.751 dev=  0.002 sig.= 0.000
A    201 VAL O   . - A    202 ASP O   . mod.= 3.406 id.= 3.404 dev= -0.002 sig.= 0.000
A    201 VAL O   . - A    203 VAL CA  . mod.= 4.821 id.= 4.817 dev= -0.004 sig.= 0.000
A    201 VAL O   . - A    203 VAL C   . mod.= 5.283 id.= 5.286 dev=  0.004 sig.= 0.000
A    201 VAL O   . - A    203 VAL O   . mod.= 5.095 id.= 5.100 dev=  0.005 sig.= 0.000
A    201 VAL O   . - A    266 TYR O   . mod.= 4.969 id.= 4.966 dev= -0.002 sig.= 0.000
A    201 VAL O   . - A    268 LYS N   . mod.= 2.753 id.= 2.756 dev=  0.003 sig.= 0.000
A    201 VAL O   . - A    268 LYS C   . mod.= 4.871 id.= 4.873 dev=  0.002 sig.= 0.000
A    201 VAL O   . - A    269 TYR N   . mod.= 4.814 id.= 4.817 dev=  0.003 sig.= 0.000
A    202 ASP N   . - A    203 VAL N   . mod.= 2.967 id.= 2.969 dev=  0.003 sig.= 0.000
A    202 ASP N   . - A    203 VAL CA  . mod.= 4.352 id.= 4.354 dev=  0.002 sig.= 0.000
A    202 ASP N   . - A    203 VAL C   . mod.= 4.893 id.= 4.899 dev=  0.005 sig.= 0.000
A    202 ASP N   . - A    203 VAL O   . mod.= 4.490 id.= 4.498 dev=  0.007 sig.= 0.000
A    202 ASP N   . - A    267 PHE CA  . mod.= 5.421 id.= 5.426 dev=  0.005 sig.= 0.000
A    202 ASP N   . - A    267 PHE C   . mod.= 5.619 id.= 5.623 dev=  0.004 sig.= 0.000
A    202 ASP N   . - A    268 LYS N   . mod.= 4.728 id.= 4.732 dev=  0.004 sig.= 0.000
A    202 ASP N   . - A    269 TYR N   . mod.= 5.833 id.= 5.837 dev=  0.003 sig.= 0.000
A    202 ASP CA  . - A    203 VAL O   . mod.= 4.694 id.= 4.698 dev=  0.003 sig.= 0.000
A    202 ASP CA  . - A    204 VAL N   . mod.= 5.972 id.= 5.974 dev=  0.002 sig.= 0.000
A    202 ASP C   . - A    270 GLY N   . mod.= 4.998 id.= 4.995 dev= -0.003 sig.= 0.000
A    202 ASP O   . - A    203 VAL CA  . mod.= 2.761 id.= 2.758 dev= -0.003 sig.= 0.000
A    202 ASP O   . - A    267 PHE CA  . mod.= 5.023 id.= 5.019 dev= -0.003 sig.= 0.000
A    202 ASP O   . - A    267 PHE C   . mod.= 4.584 id.= 4.582 dev= -0.002 sig.= 0.000
A    202 ASP O   . - A    268 LYS CA  . mod.= 3.933 id.= 3.931 dev= -0.002 sig.= 0.000
A    202 ASP O   . - A    269 TYR CA  . mod.= 3.670 id.= 3.673 dev=  0.003 sig.= 0.000
A    203 VAL N   . - A    267 PHE CA  . mod.= 5.794 id.= 5.797 dev=  0.003 sig.= 0.000
A    203 VAL N   . - A    267 PHE C   . mod.= 5.921 id.= 5.924 dev=  0.003 sig.= 0.000
A    203 VAL N   . - A    268 LYS N   . mod.= 5.226 id.= 5.230 dev=  0.004 sig.= 0.000
A    203 VAL N   . - A    269 TYR N   . mod.= 5.096 id.= 5.098 dev=  0.003 sig.= 0.000
A    203 VAL N   . - A    270 GLY O   . mod.= 4.548 id.= 4.550 dev=  0.003 sig.= 0.000
A    203 VAL CA  . - A    205 ALA N   . mod.= 5.779 id.= 5.781 dev=  0.003 sig.= 0.000
A    203 VAL CA  . - A    269 TYR CA  . mod.= 5.543 id.= 5.540 dev= -0.003 sig.= 0.000
A    203 VAL CA  . - A    269 TYR C   . mod.= 5.510 id.= 5.506 dev= -0.003 sig.= 0.000
A    203 VAL CA  . - A    270 GLY N   . mod.= 4.594 id.= 4.589 dev= -0.005 sig.= 0.000
A    203 VAL CA  . - A    270 GLY CA  . mod.= 5.116 id.= 5.113 dev= -0.003 sig.= 0.000
A    203 VAL CA  . - A    271 ARG N   . mod.= 5.433 id.= 5.430 dev= -0.003 sig.= 0.000
A    203 VAL CA  . - A    271 ARG CA  . mod.= 5.550 id.= 5.554 dev=  0.004 sig.= 0.000
A    203 VAL CA  . - A    272 ILE N   . mod.= 5.804 id.= 5.809 dev=  0.006 sig.= 0.000
A    203 VAL C   . - A    204 VAL C   . mod.= 3.493 id.= 3.490 dev= -0.003 sig.= 0.000
A    203 VAL C   . - A    204 VAL O   . mod.= 3.797 id.= 3.792 dev= -0.005 sig.= 0.000
A    203 VAL C   . - A    205 ALA CA  . mod.= 5.776 id.= 5.774 dev= -0.002 sig.= 0.000
A    203 VAL C   . - A    270 GLY N   . mod.= 5.474 id.= 5.476 dev=  0.002 sig.= 0.000
A    203 VAL C   . - A    270 GLY CA  . mod.= 5.693 id.= 5.696 dev=  0.003 sig.= 0.000
A    203 VAL C   . - A    270 GLY C   . mod.= 4.746 id.= 4.748 dev=  0.002 sig.= 0.000
A    203 VAL C   . - A    270 GLY O   . mod.= 3.524 id.= 3.527 dev=  0.003 sig.= 0.000
A    203 VAL C   . - A    271 ARG CA  . mod.= 5.416 id.= 5.418 dev=  0.002 sig.= 0.000
A    203 VAL C   . - A    272 ILE N   . mod.= 5.808 id.= 5.805 dev= -0.002 sig.= 0.000
A    203 VAL O   . - A    204 VAL CA  . mod.= 2.778 id.= 2.776 dev= -0.002 sig.= 0.000
A    203 VAL O   . - A    204 VAL C   . mod.= 3.954 id.= 3.948 dev= -0.007 sig.= 0.000
A    203 VAL O   . - A    204 VAL O   . mod.= 4.537 id.= 4.529 dev= -0.009 sig.= 0.000
A    203 VAL O   . - A    205 ALA N   . mod.= 4.698 id.= 4.693 dev= -0.005 sig.= 0.000
A    203 VAL O   . - A    270 GLY C   . mod.= 5.927 id.= 5.924 dev= -0.002 sig.= 0.000
A    203 VAL O   . - A    270 GLY O   . mod.= 4.717 id.= 4.714 dev= -0.002 sig.= 0.000
A    204 VAL N   . - A    204 VAL O   . mod.= 2.662 id.= 2.659 dev= -0.003 sig.= 0.000
A    204 VAL N   . - A    205 ALA N   . mod.= 3.588 id.= 3.591 dev=  0.003 sig.= 0.000
A    204 VAL CA  . - A    206 PRO N   . mod.= 5.962 id.= 5.960 dev= -0.002 sig.= 0.000
A    204 VAL CA  . - A    271 ARG CA  . mod.= 4.649 id.= 4.646 dev= -0.003 sig.= 0.000
A    204 VAL CA  . - A    271 ARG C   . mod.= 5.575 id.= 5.572 dev= -0.003 sig.= 0.000
A    204 VAL CA  . - A    272 ILE N   . mod.= 5.290 id.= 5.287 dev= -0.004 sig.= 0.000
A    204 VAL C   . - A    205 ALA C   . mod.= 3.589 id.= 3.592 dev=  0.003 sig.= 0.000
A    204 VAL C   . - A    272 ILE N   . mod.= 4.425 id.= 4.422 dev= -0.003 sig.= 0.000
A    204 VAL C   . - A    272 ILE CA  . mod.= 5.537 id.= 5.532 dev= -0.006 sig.= 0.000
A    204 VAL O   . - A    205 ALA CA  . mod.= 2.804 id.= 2.810 dev=  0.005 sig.= 0.000
A    204 VAL O   . - A    205 ALA C   . mod.= 4.152 id.= 4.158 dev=  0.006 sig.= 0.000
A    204 VAL O   . - A    205 ALA O   . mod.= 4.603 id.= 4.605 dev=  0.003 sig.= 0.000
A    204 VAL O   . - A    206 PRO N   . mod.= 5.089 id.= 5.091 dev=  0.002 sig.= 0.000
A    204 VAL O   . - A    270 GLY O   . mod.= 3.919 id.= 3.916 dev= -0.003 sig.= 0.000
A    204 VAL O   . - A    271 ARG C   . mod.= 3.799 id.= 3.797 dev= -0.002 sig.= 0.000
A    204 VAL O   . - A    272 ILE N   . mod.= 3.207 id.= 3.204 dev= -0.003 sig.= 0.000
A    204 VAL O   . - A    272 ILE CA  . mod.= 4.325 id.= 4.319 dev= -0.005 sig.= 0.000
A    204 VAL O   . - A    272 ILE O   . mod.= 5.433 id.= 5.436 dev=  0.003 sig.= 0.000
A    205 ALA N   . - A    206 PRO N   . mod.= 3.616 id.= 3.611 dev= -0.005 sig.= 0.000
A    205 ALA N   . - A    206 PRO CA  . mod.= 4.838 id.= 4.834 dev= -0.005 sig.= 0.000
A    205 ALA N   . - A    206 PRO C   . mod.= 5.337 id.= 5.340 dev=  0.003 sig.= 0.000
A    205 ALA N   . - A    228 ALA CA  . mod.= 5.273 id.= 5.276 dev=  0.003 sig.= 0.000
A    205 ALA N   . - A    228 ALA C   . mod.= 5.457 id.= 5.461 dev=  0.004 sig.= 0.000
A    205 ALA N   . - A    270 GLY O   . mod.= 5.729 id.= 5.734 dev=  0.005 sig.= 0.000
A    205 ALA N   . - A    271 ARG CA  . mod.= 5.297 id.= 5.303 dev=  0.006 sig.= 0.000
A    205 ALA CA  . - A    206 PRO CA  . mod.= 3.863 id.= 3.861 dev= -0.002 sig.= 0.000
A    205 ALA CA  . - A    206 PRO C   . mod.= 4.518 id.= 4.524 dev=  0.006 sig.= 0.000
A    205 ALA CA  . - A    206 PRO O   . mod.= 4.518 id.= 4.523 dev=  0.005 sig.= 0.000
A    205 ALA CA  . - A    207 GLY N   . mod.= 5.368 id.= 5.370 dev=  0.002 sig.= 0.000
A    205 ALA CA  . - A    228 ALA CA  . mod.= 4.996 id.= 5.004 dev=  0.008 sig.= 0.000
A    205 ALA CA  . - A    228 ALA C   . mod.= 5.214 id.= 5.223 dev=  0.009 sig.= 0.000
A    205 ALA CA  . - A    228 ALA O   . mod.= 4.703 id.= 4.709 dev=  0.006 sig.= 0.000
A    205 ALA CA  . - A    271 ARG CA  . mod.= 5.690 id.= 5.696 dev=  0.006 sig.= 0.000
A    205 ALA C   . - A    206 PRO C   . mod.= 3.101 id.= 3.105 dev=  0.004 sig.= 0.000
A    205 ALA C   . - A    228 ALA O   . mod.= 4.932 id.= 4.927 dev= -0.005 sig.= 0.000
A    205 ALA O   . - A    206 PRO CA  . mod.= 2.868 id.= 2.865 dev= -0.004 sig.= 0.000
A    205 ALA O   . - A    206 PRO C   . mod.= 3.092 id.= 3.097 dev=  0.005 sig.= 0.000
A    205 ALA O   . - A    228 ALA O   . mod.= 5.199 id.= 5.195 dev= -0.005 sig.= 0.000
A    206 PRO N   . - A    228 ALA O   . mod.= 5.404 id.= 5.398 dev= -0.006 sig.= 0.000
A    206 PRO CA  . - A    207 GLY CA  . mod.= 3.775 id.= 3.772 dev= -0.003 sig.= 0.000
A    206 PRO CA  . - A    228 ALA CA  . mod.= 5.326 id.= 5.321 dev= -0.005 sig.= 0.000
A    206 PRO C   . - A    208 VAL CA  . mod.= 5.334 id.= 5.329 dev= -0.005 sig.= 0.000
A    206 PRO C   . - A    208 VAL C   . mod.= 5.894 id.= 5.896 dev=  0.002 sig.= 0.000
A    206 PRO C   . - A    208 VAL O   . mod.= 5.673 id.= 5.678 dev=  0.005 sig.= 0.000
A    206 PRO C   . - A    227 MET CA  . mod.= 5.979 id.= 5.977 dev= -0.002 sig.= 0.000
A    206 PRO C   . - A    227 MET O   . mod.= 4.870 id.= 4.866 dev= -0.004 sig.= 0.000
A    206 PRO C   . - A    228 ALA O   . mod.= 5.632 id.= 5.629 dev= -0.003 sig.= 0.000
A    206 PRO O   . - A    227 MET C   . mod.= 3.963 id.= 3.966 dev=  0.002 sig.= 0.000
A    206 PRO O   . - A    227 MET O   . mod.= 3.711 id.= 3.708 dev= -0.002 sig.= 0.000
A    206 PRO O   . - A    228 ALA O   . mod.= 4.635 id.= 4.632 dev= -0.004 sig.= 0.000
A    206 PRO O   . - A    229 SER N   . mod.= 5.743 id.= 5.739 dev= -0.003 sig.= 0.000
A    207 GLY N   . - A    208 VAL CA  . mod.= 4.201 id.= 4.197 dev= -0.003 sig.= 0.000
A    207 GLY N   . - A    208 VAL C   . mod.= 4.984 id.= 4.986 dev=  0.002 sig.= 0.000
A    207 GLY N   . - A    208 VAL O   . mod.= 4.950 id.= 4.954 dev=  0.004 sig.= 0.000
A    207 GLY N   . - A    224 GLY O   . mod.= 4.998 id.= 5.001 dev=  0.002 sig.= 0.000
A    207 GLY N   . - A    227 MET O   . mod.= 5.419 id.= 5.413 dev= -0.006 sig.= 0.000
A    207 GLY CA  . - A    208 VAL CA  . mod.= 3.819 id.= 3.817 dev= -0.003 sig.= 0.000
A    207 GLY CA  . - A    208 VAL O   . mod.= 4.970 id.= 4.972 dev=  0.002 sig.= 0.000
A    207 GLY CA  . - A    210 ILE N   . mod.= 5.854 id.= 5.862 dev=  0.008 sig.= 0.000
A    207 GLY CA  . - A    223 SER CA  . mod.= 5.480 id.= 5.476 dev= -0.004 sig.= 0.000
A    207 GLY CA  . - A    224 GLY CA  . mod.= 5.375 id.= 5.379 dev=  0.004 sig.= 0.000
A    207 GLY CA  . - A    225 THR N   . mod.= 5.707 id.= 5.710 dev=  0.004 sig.= 0.000
A    207 GLY CA  . - A    227 MET CA  . mod.= 4.938 id.= 4.934 dev= -0.004 sig.= 0.000
A    207 GLY CA  . - A    227 MET O   . mod.= 4.871 id.= 4.865 dev= -0.007 sig.= 0.000
A    207 GLY C   . - A    208 VAL C   . mod.= 3.446 id.= 3.444 dev= -0.002 sig.= 0.000
A    207 GLY C   . - A    208 VAL O   . mod.= 4.001 id.= 3.999 dev= -0.002 sig.= 0.000
A    207 GLY C   . - A    209 ASP N   . mod.= 4.181 id.= 4.178 dev= -0.002 sig.= 0.000
A    207 GLY C   . - A    209 ASP CA  . mod.= 5.481 id.= 5.485 dev=  0.003 sig.= 0.000
A    207 GLY C   . - A    209 ASP C   . mod.= 5.648 id.= 5.655 dev=  0.007 sig.= 0.000
A    207 GLY C   . - A    210 ILE N   . mod.= 5.083 id.= 5.085 dev=  0.002 sig.= 0.000
A    207 GLY C   . - A    222 MET C   . mod.= 5.564 id.= 5.562 dev= -0.003 sig.= 0.000
A    207 GLY C   . - A    223 SER CA  . mod.= 4.322 id.= 4.319 dev= -0.003 sig.= 0.000
A    207 GLY C   . - A    223 SER O   . mod.= 5.900 id.= 5.903 dev=  0.003 sig.= 0.000
A    207 GLY C   . - A    224 GLY CA  . mod.= 4.987 id.= 4.991 dev=  0.004 sig.= 0.000
A    207 GLY C   . - A    225 THR N   . mod.= 5.881 id.= 5.885 dev=  0.004 sig.= 0.000
A    207 GLY C   . - A    227 MET CA  . mod.= 5.615 id.= 5.612 dev= -0.004 sig.= 0.000
A    207 GLY C   . - A    227 MET O   . mod.= 5.996 id.= 5.991 dev= -0.005 sig.= 0.000
A    207 GLY O   . - A    208 VAL O   . mod.= 4.615 id.= 4.613 dev= -0.002 sig.= 0.000
A    207 GLY O   . - A    209 ASP N   . mod.= 4.163 id.= 4.160 dev= -0.003 sig.= 0.000
A    207 GLY O   . - A    209 ASP C   . mod.= 5.832 id.= 5.837 dev=  0.006 sig.= 0.000
A    207 GLY O   . - A    210 ILE N   . mod.= 5.211 id.= 5.214 dev=  0.003 sig.= 0.000
A    207 GLY O   . - A    210 ILE CA  . mod.= 5.943 id.= 5.945 dev=  0.002 sig.= 0.000
A    207 GLY O   . - A    223 SER CA  . mod.= 3.246 id.= 3.244 dev= -0.002 sig.= 0.000
A    207 GLY O   . - A    223 SER O   . mod.= 4.692 id.= 4.696 dev=  0.004 sig.= 0.000
A    207 GLY O   . - A    224 GLY CA  . mod.= 3.902 id.= 3.905 dev=  0.003 sig.= 0.000
A    207 GLY O   . - A    225 THR N   . mod.= 5.136 id.= 5.138 dev=  0.002 sig.= 0.000
A    207 GLY O   . - A    227 MET N   . mod.= 5.629 id.= 5.627 dev= -0.002 sig.= 0.000
A    207 GLY O   . - A    227 MET CA  . mod.= 5.380 id.= 5.375 dev= -0.005 sig.= 0.000
A    207 GLY O   . - A    228 ALA N   . mod.= 5.441 id.= 5.439 dev= -0.003 sig.= 0.000
A    208 VAL N   . - A    208 VAL O   . mod.= 2.841 id.= 2.835 dev= -0.006 sig.= 0.000
A    208 VAL N   . - A    209 ASP CA  . mod.= 4.774 id.= 4.777 dev=  0.004 sig.= 0.000
A    208 VAL N   . - A    209 ASP C   . mod.= 5.014 id.= 5.018 dev=  0.004 sig.= 0.000
A    208 VAL N   . - A    210 ILE N   . mod.= 4.729 id.= 4.726 dev= -0.003 sig.= 0.000
A    208 VAL N   . - A    210 ILE CA  . mod.= 5.423 id.= 5.417 dev= -0.006 sig.= 0.000
A    208 VAL N   . - A    223 SER CA  . mod.= 4.826 id.= 4.829 dev=  0.002 sig.= 0.000
A    208 VAL N   . - A    223 SER C   . mod.= 5.508 id.= 5.512 dev=  0.003 sig.= 0.000
A    208 VAL N   . - A    224 GLY N   . mod.= 5.013 id.= 5.016 dev=  0.003 sig.= 0.000
A    208 VAL N   . - A    224 GLY O   . mod.= 5.296 id.= 5.301 dev=  0.004 sig.= 0.000
A    208 VAL CA  . - A    209 ASP CA  . mod.= 3.860 id.= 3.865 dev=  0.005 sig.= 0.000
A    208 VAL CA  . - A    209 ASP O   . mod.= 5.216 id.= 5.210 dev= -0.007 sig.= 0.000
A    208 VAL CA  . - A    210 ILE N   . mod.= 4.526 id.= 4.521 dev= -0.005 sig.= 0.000
A    208 VAL CA  . - A    210 ILE CA  . mod.= 5.546 id.= 5.540 dev= -0.006 sig.= 0.000
A    208 VAL CA  . - A    222 MET C   . mod.= 5.485 id.= 5.491 dev=  0.005 sig.= 0.000
A    208 VAL CA  . - A    222 MET O   . mod.= 4.754 id.= 4.758 dev=  0.004 sig.= 0.000
A    208 VAL CA  . - A    223 SER N   . mod.= 5.395 id.= 5.399 dev=  0.005 sig.= 0.000
A    208 VAL CA  . - A    223 SER CA  . mod.= 4.377 id.= 4.385 dev=  0.008 sig.= 0.000
A    208 VAL CA  . - A    223 SER C   . mod.= 5.331 id.= 5.336 dev=  0.005 sig.= 0.000
A    208 VAL C   . - A    209 ASP C   . mod.= 3.098 id.= 3.100 dev=  0.002 sig.= 0.000
A    208 VAL C   . - A    209 ASP O   . mod.= 3.731 id.= 3.728 dev= -0.003 sig.= 0.000
A    208 VAL C   . - A    210 ILE N   . mod.= 3.370 id.= 3.365 dev= -0.004 sig.= 0.000
A    208 VAL C   . - A    210 ILE CA  . mod.= 4.474 id.= 4.471 dev= -0.003 sig.= 0.000
A    208 VAL C   . - A    210 ILE C   . mod.= 5.765 id.= 5.761 dev= -0.003 sig.= 0.000
A    208 VAL C   . - A    222 MET O   . mod.= 4.294 id.= 4.296 dev=  0.002 sig.= 0.000
A    208 VAL C   . - A    224 GLY N   . mod.= 5.997 id.= 5.994 dev= -0.003 sig.= 0.000
A    208 VAL O   . - A    209 ASP CA  . mod.= 2.895 id.= 2.907 dev=  0.012 sig.= 0.000
A    208 VAL O   . - A    209 ASP C   . mod.= 3.059 id.= 3.066 dev=  0.008 sig.= 0.000
A    208 VAL O   . - A    210 ILE N   . mod.= 3.488 id.= 3.485 dev= -0.003 sig.= 0.000
A    208 VAL O   . - A    210 ILE CA  . mod.= 4.330 id.= 4.327 dev= -0.003 sig.= 0.000
A    208 VAL O   . - A    210 ILE C   . mod.= 5.693 id.= 5.689 dev= -0.004 sig.= 0.000
A    209 ASP N   . - A    209 ASP O   . mod.= 3.433 id.= 3.427 dev= -0.005 sig.= 0.000
A    209 ASP N   . - A    210 ILE N   . mod.= 2.870 id.= 2.863 dev= -0.007 sig.= 0.000
A    209 ASP N   . - A    210 ILE CA  . mod.= 4.227 id.= 4.224 dev= -0.003 sig.= 0.000
A    209 ASP N   . - A    210 ILE C   . mod.= 5.268 id.= 5.265 dev= -0.003 sig.= 0.000
A    209 ASP N   . - A    222 MET N   . mod.= 5.182 id.= 5.189 dev=  0.006 sig.= 0.000
A    209 ASP N   . - A    222 MET CA  . mod.= 5.336 id.= 5.341 dev=  0.004 sig.= 0.000
A    209 ASP N   . - A    222 MET C   . mod.= 4.180 id.= 4.177 dev= -0.003 sig.= 0.000
A    209 ASP N   . - A    223 SER N   . mod.= 4.472 id.= 4.464 dev= -0.008 sig.= 0.000
A    209 ASP N   . - A    223 SER CA  . mod.= 4.098 id.= 4.094 dev= -0.004 sig.= 0.000
A    209 ASP N   . - A    223 SER C   . mod.= 5.507 id.= 5.499 dev= -0.008 sig.= 0.000
A    209 ASP N   . - A    224 GLY N   . mod.= 5.845 id.= 5.837 dev= -0.008 sig.= 0.000
A    209 ASP CA  . - A    210 ILE CA  . mod.= 3.771 id.= 3.773 dev=  0.002 sig.= 0.000
A    209 ASP CA  . - A    210 ILE C   . mod.= 4.523 id.= 4.521 dev= -0.002 sig.= 0.000
A    209 ASP CA  . - A    210 ILE O   . mod.= 4.795 id.= 4.792 dev= -0.003 sig.= 0.000
A    209 ASP CA  . - A    211 VAL N   . mod.= 5.293 id.= 5.288 dev= -0.005 sig.= 0.000
A    209 ASP CA  . - A    221 TYR CA  . mod.= 5.104 id.= 5.110 dev=  0.005 sig.= 0.000
A    209 ASP CA  . - A    221 TYR C   . mod.= 5.202 id.= 5.209 dev=  0.007 sig.= 0.000
A    209 ASP CA  . - A    222 MET N   . mod.= 4.614 id.= 4.618 dev=  0.004 sig.= 0.000
A    209 ASP CA  . - A    222 MET C   . mod.= 4.348 id.= 4.343 dev= -0.005 sig.= 0.000
A    209 ASP CA  . - A    223 SER N   . mod.= 4.945 id.= 4.933 dev= -0.011 sig.= 0.000
A    209 ASP CA  . - A    223 SER CA  . mod.= 4.984 id.= 4.980 dev= -0.004 sig.= 0.000
A    209 ASP C   . - A    210 ILE C   . mod.= 3.170 id.= 3.172 dev=  0.003 sig.= 0.000
A    209 ASP C   . - A    211 VAL CA  . mod.= 5.072 id.= 5.070 dev= -0.002 sig.= 0.000
A    209 ASP C   . - A    222 MET CA  . mod.= 5.255 id.= 5.252 dev= -0.003 sig.= 0.000
A    209 ASP C   . - A    222 MET C   . mod.= 4.604 id.= 4.600 dev= -0.005 sig.= 0.000
A    209 ASP C   . - A    223 SER N   . mod.= 5.498 id.= 5.490 dev= -0.008 sig.= 0.000
A    209 ASP C   . - A    223 SER CA  . mod.= 5.662 id.= 5.658 dev= -0.004 sig.= 0.000
A    209 ASP O   . - A    210 ILE CA  . mod.= 2.705 id.= 2.714 dev=  0.009 sig.= 0.000
A    209 ASP O   . - A    211 VAL N   . mod.= 3.656 id.= 3.654 dev= -0.003 sig.= 0.000
A    209 ASP O   . - A    211 VAL CA  . mod.= 4.893 id.= 4.890 dev= -0.003 sig.= 0.000
A    209 ASP O   . - A    221 TYR CA  . mod.= 5.243 id.= 5.250 dev=  0.006 sig.= 0.000
A    209 ASP O   . - A    221 TYR C   . mod.= 5.872 id.= 5.878 dev=  0.006 sig.= 0.000
A    209 ASP O   . - A    222 MET N   . mod.= 5.417 id.= 5.420 dev=  0.003 sig.= 0.000
A    209 ASP O   . - A    222 MET C   . mod.= 5.803 id.= 5.800 dev= -0.003 sig.= 0.000
A    210 ILE N   . - A    210 ILE O   . mod.= 2.860 id.= 2.862 dev=  0.002 sig.= 0.000
A    210 ILE N   . - A    211 VAL N   . mod.= 3.444 id.= 3.447 dev=  0.003 sig.= 0.000
A    210 ILE N   . - A    211 VAL C   . mod.= 5.625 id.= 5.628 dev=  0.003 sig.= 0.000
A    210 ILE N   . - A    221 TYR O   . mod.= 5.923 id.= 5.930 dev=  0.007 sig.= 0.000
A    210 ILE CA  . - A    211 VAL CA  . mod.= 3.825 id.= 3.827 dev=  0.002 sig.= 0.000
A    210 ILE CA  . - A    211 VAL O   . mod.= 4.655 id.= 4.650 dev= -0.005 sig.= 0.000
A    210 ILE CA  . - A    222 MET N   . mod.= 4.479 id.= 4.475 dev= -0.004 sig.= 0.000
A    210 ILE CA  . - A    222 MET CA  . mod.= 5.290 id.= 5.285 dev= -0.005 sig.= 0.000
A    210 ILE CA  . - A    223 SER N   . mod.= 5.887 id.= 5.889 dev=  0.002 sig.= 0.000
A    210 ILE C   . - A    211 VAL O   . mod.= 3.612 id.= 3.610 dev= -0.002 sig.= 0.000
A    210 ILE C   . - A    212 SER CA  . mod.= 5.174 id.= 5.167 dev= -0.006 sig.= 0.000
A    210 ILE C   . - A    221 TYR N   . mod.= 4.965 id.= 4.968 dev=  0.004 sig.= 0.000
A    210 ILE C   . - A    221 TYR O   . mod.= 5.697 id.= 5.700 dev=  0.002 sig.= 0.000
A    210 ILE C   . - A    222 MET N   . mod.= 3.934 id.= 3.932 dev= -0.002 sig.= 0.000
A    210 ILE C   . - A    222 MET C   . mod.= 4.957 id.= 4.960 dev=  0.003 sig.= 0.000
A    210 ILE C   . - A    222 MET O   . mod.= 4.055 id.= 4.058 dev=  0.003 sig.= 0.000
A    210 ILE O   . - A    211 VAL CA  . mod.= 2.768 id.= 2.770 dev=  0.003 sig.= 0.000
A    210 ILE O   . - A    211 VAL C   . mod.= 3.319 id.= 3.324 dev=  0.004 sig.= 0.000
A    210 ILE O   . - A    212 SER N   . mod.= 3.698 id.= 3.703 dev=  0.004 sig.= 0.000
A    210 ILE O   . - A    212 SER CA  . mod.= 4.839 id.= 4.834 dev= -0.005 sig.= 0.000
A    210 ILE O   . - A    220 ALA CA  . mod.= 5.683 id.= 5.686 dev=  0.003 sig.= 0.000
A    210 ILE O   . - A    221 TYR CA  . mod.= 3.280 id.= 3.274 dev= -0.006 sig.= 0.000
A    210 ILE O   . - A    221 TYR C   . mod.= 3.523 id.= 3.518 dev= -0.005 sig.= 0.000
A    210 ILE O   . - A    221 TYR O   . mod.= 4.681 id.= 4.679 dev= -0.002 sig.= 0.000
A    210 ILE O   . - A    222 MET N   . mod.= 2.938 id.= 2.933 dev= -0.004 sig.= 0.000
A    210 ILE O   . - A    222 MET C   . mod.= 4.231 id.= 4.236 dev=  0.005 sig.= 0.000
A    210 ILE O   . - A    222 MET O   . mod.= 3.551 id.= 3.556 dev=  0.004 sig.= 0.000
A    210 ILE O   . - A    223 SER N   . mod.= 5.543 id.= 5.553 dev=  0.010 sig.= 0.000
A    211 VAL N   . - A    212 SER N   . mod.= 3.563 id.= 3.559 dev= -0.004 sig.= 0.000
A    211 VAL N   . - A    212 SER CA  . mod.= 4.823 id.= 4.819 dev= -0.004 sig.= 0.000
A    211 VAL N   . - A    220 ALA O   . mod.= 4.353 id.= 4.350 dev= -0.002 sig.= 0.000
A    211 VAL N   . - A    221 TYR N   . mod.= 5.110 id.= 5.114 dev=  0.003 sig.= 0.000
A    211 VAL N   . - A    221 TYR CA  . mod.= 4.399 id.= 4.396 dev= -0.002 sig.= 0.000
A    211 VAL N   . - A    222 MET O   . mod.= 5.358 id.= 5.363 dev=  0.005 sig.= 0.000
A    211 VAL CA  . - A    212 SER C   . mod.= 4.856 id.= 4.854 dev= -0.003 sig.= 0.000
A    211 VAL CA  . - A    212 SER O   . mod.= 4.821 id.= 4.816 dev= -0.005 sig.= 0.000
A    211 VAL CA  . - A    220 ALA N   . mod.= 5.280 id.= 5.275 dev= -0.005 sig.= 0.000
A    211 VAL CA  . - A    220 ALA CA  . mod.= 5.260 id.= 5.273 dev=  0.012 sig.= 0.000
A    211 VAL CA  . - A    221 TYR N   . mod.= 4.500 id.= 4.504 dev=  0.004 sig.= 0.000
A    211 VAL CA  . - A    221 TYR CA  . mod.= 4.213 id.= 4.210 dev= -0.003 sig.= 0.000
A    211 VAL C   . - A    212 SER O   . mod.= 3.976 id.= 3.974 dev= -0.002 sig.= 0.000
A    211 VAL C   . - A    220 ALA N   . mod.= 5.244 id.= 5.241 dev= -0.003 sig.= 0.000
A    211 VAL C   . - A    220 ALA CA  . mod.= 5.575 id.= 5.582 dev=  0.007 sig.= 0.000
A    211 VAL C   . - A    221 TYR CA  . mod.= 5.207 id.= 5.202 dev= -0.006 sig.= 0.000
A    211 VAL O   . - A    212 SER O   . mod.= 4.781 id.= 4.779 dev= -0.003 sig.= 0.000
A    211 VAL O   . - A    213 THR N   . mod.= 5.089 id.= 5.086 dev= -0.003 sig.= 0.000
A    211 VAL O   . - A    220 ALA C   . mod.= 5.858 id.= 5.861 dev=  0.003 sig.= 0.000
A    211 VAL O   . - A    220 ALA O   . mod.= 4.847 id.= 4.849 dev=  0.003 sig.= 0.000
A    212 SER N   . - A    212 SER O   . mod.= 2.683 id.= 2.681 dev= -0.003 sig.= 0.000
A    212 SER N   . - A    213 THR N   . mod.= 3.657 id.= 3.653 dev= -0.003 sig.= 0.000
A    212 SER N   . - A    213 THR CA  . mod.= 4.909 id.= 4.904 dev= -0.005 sig.= 0.000
A    212 SER N   . - A    219 TYR CA  . mod.= 5.321 id.= 5.314 dev= -0.007 sig.= 0.000
A    212 SER N   . - A    220 ALA O   . mod.= 2.935 id.= 2.938 dev=  0.003 sig.= 0.000
A    212 SER N   . - A    221 TYR CA  . mod.= 5.116 id.= 5.109 dev= -0.007 sig.= 0.000
A    212 SER N   . - A    222 MET N   . mod.= 5.790 id.= 5.793 dev=  0.004 sig.= 0.000
A    212 SER CA  . - A    213 THR CA  . mod.= 3.792 id.= 3.787 dev= -0.005 sig.= 0.000
A    212 SER CA  . - A    213 THR C   . mod.= 4.532 id.= 4.530 dev= -0.002 sig.= 0.000
A    212 SER CA  . - A    219 TYR C   . mod.= 5.594 id.= 5.596 dev=  0.003 sig.= 0.000
A    212 SER CA  . - A    220 ALA CA  . mod.= 5.562 id.= 5.555 dev= -0.007 sig.= 0.000
A    212 SER CA  . - A    220 ALA C   . mod.= 5.047 id.= 5.042 dev= -0.005 sig.= 0.000
A    212 SER CA  . - A    220 ALA O   . mod.= 3.959 id.= 3.955 dev= -0.004 sig.= 0.000
A    212 SER C   . - A    213 THR O   . mod.= 3.445 id.= 3.447 dev=  0.003 sig.= 0.000
A    212 SER C   . - A    214 ILE CA  . mod.= 5.267 id.= 5.270 dev=  0.003 sig.= 0.000
A    212 SER C   . - A    218 ARG C   . mod.= 5.690 id.= 5.685 dev= -0.005 sig.= 0.000
A    212 SER C   . - A    218 ARG O   . mod.= 5.035 id.= 5.024 dev= -0.011 sig.= 0.000
A    212 SER C   . - A    219 TYR C   . mod.= 4.636 id.= 4.639 dev=  0.003 sig.= 0.000
A    212 SER C   . - A    219 TYR O   . mod.= 5.866 id.= 5.868 dev=  0.002 sig.= 0.000
A    212 SER C   . - A    220 ALA N   . mod.= 3.985 id.= 3.988 dev=  0.003 sig.= 0.000
A    212 SER C   . - A    220 ALA CA  . mod.= 5.046 id.= 5.038 dev= -0.008 sig.= 0.000
A    212 SER O   . - A    213 THR CA  . mod.= 2.821 id.= 2.815 dev= -0.006 sig.= 0.000
A    212 SER O   . - A    214 ILE N   . mod.= 3.791 id.= 3.793 dev=  0.002 sig.= 0.000
A    212 SER O   . - A    214 ILE CA  . mod.= 4.891 id.= 4.894 dev=  0.003 sig.= 0.000
A    212 SER O   . - A    218 ARG C   . mod.= 4.896 id.= 4.893 dev= -0.003 sig.= 0.000
A    212 SER O   . - A    218 ARG O   . mod.= 4.447 id.= 4.437 dev= -0.010 sig.= 0.000
A    212 SER O   . - A    219 TYR C   . mod.= 3.457 id.= 3.461 dev=  0.003 sig.= 0.000
A    212 SER O   . - A    220 ALA N   . mod.= 2.789 id.= 2.793 dev=  0.004 sig.= 0.000
A    212 SER O   . - A    220 ALA CA  . mod.= 3.924 id.= 3.918 dev= -0.006 sig.= 0.000
A    212 SER O   . - A    220 ALA O   . mod.= 3.326 id.= 3.329 dev=  0.003 sig.= 0.000
A    212 SER O   . - A    221 TYR N   . mod.= 5.336 id.= 5.333 dev= -0.003 sig.= 0.000
A    213 THR N   . - A    214 ILE O   . mod.= 5.771 id.= 5.764 dev= -0.006 sig.= 0.000
A    213 THR N   . - A    218 ARG C   . mod.= 5.685 id.= 5.682 dev= -0.003 sig.= 0.000
A    213 THR N   . - A    218 ARG O   . mod.= 4.793 id.= 4.786 dev= -0.007 sig.= 0.000
A    213 THR N   . - A    219 TYR CA  . mod.= 4.717 id.= 4.721 dev=  0.005 sig.= 0.000
A    213 THR N   . - A    220 ALA O   . mod.= 5.272 id.= 5.264 dev= -0.008 sig.= 0.000
A    213 THR CA  . - A    214 ILE C   . mod.= 4.656 id.= 4.658 dev=  0.002 sig.= 0.000
A    213 THR CA  . - A    214 ILE O   . mod.= 4.382 id.= 4.378 dev= -0.005 sig.= 0.000
A    213 THR CA  . - A    218 ARG O   . mod.= 3.675 id.= 3.670 dev= -0.005 sig.= 0.000
A    213 THR CA  . - A    219 TYR N   . mod.= 5.058 id.= 5.060 dev=  0.002 sig.= 0.000
A    213 THR CA  . - A    219 TYR CA  . mod.= 4.368 id.= 4.374 dev=  0.006 sig.= 0.000
A    213 THR CA  . - A    220 ALA N   . mod.= 5.125 id.= 5.123 dev= -0.002 sig.= 0.000
A    213 THR C   . - A    214 ILE C   . mod.= 3.468 id.= 3.470 dev=  0.002 sig.= 0.000
A    213 THR C   . - A    214 ILE O   . mod.= 3.543 id.= 3.534 dev= -0.010 sig.= 0.000
A    213 THR C   . - A    215 THR CA  . mod.= 5.896 id.= 5.898 dev=  0.002 sig.= 0.000
A    213 THR C   . - A    218 ARG N   . mod.= 5.936 id.= 5.925 dev= -0.011 sig.= 0.000
A    213 THR C   . - A    219 TYR N   . mod.= 5.172 id.= 5.175 dev=  0.003 sig.= 0.000
A    213 THR C   . - A    219 TYR CA  . mod.= 4.659 id.= 4.664 dev=  0.006 sig.= 0.000
A    213 THR C   . - A    219 TYR C   . mod.= 5.344 id.= 5.339 dev= -0.005 sig.= 0.000
A    213 THR C   . - A    220 ALA O   . mod.= 5.972 id.= 5.966 dev= -0.006 sig.= 0.000
A    213 THR O   . - A    214 ILE O   . mod.= 4.264 id.= 4.253 dev= -0.011 sig.= 0.000
A    213 THR O   . - A    218 ARG O   . mod.= 4.957 id.= 4.954 dev= -0.003 sig.= 0.000
A    213 THR O   . - A    220 ALA N   . mod.= 5.595 id.= 5.589 dev= -0.007 sig.= 0.000
A    213 THR O   . - A    220 ALA O   . mod.= 5.985 id.= 5.971 dev= -0.014 sig.= 0.000
A    214 ILE N   . - A    217 ASN C   . mod.= 5.999 id.= 5.987 dev= -0.012 sig.= 0.000
A    214 ILE N   . - A    218 ARG N   . mod.= 4.868 id.= 4.860 dev= -0.008 sig.= 0.000
A    214 ILE N   . - A    218 ARG C   . mod.= 3.865 id.= 3.867 dev=  0.002 sig.= 0.000
A    214 ILE N   . - A    219 TYR CA  . mod.= 4.286 id.= 4.291 dev=  0.005 sig.= 0.000
A    214 ILE N   . - A    219 TYR C   . mod.= 4.968 id.= 4.961 dev= -0.007 sig.= 0.000
A    214 ILE N   . - A    219 TYR O   . mod.= 5.900 id.= 5.876 dev= -0.023 sig.= 0.000
A    214 ILE CA  . - A    215 THR CA  . mod.= 3.888 id.= 3.884 dev= -0.004 sig.= 0.000
A    214 ILE CA  . - A    215 THR C   . mod.= 4.587 id.= 4.593 dev=  0.006 sig.= 0.000
A    214 ILE CA  . - A    215 THR O   . mod.= 4.461 id.= 4.470 dev=  0.009 sig.= 0.000
A    214 ILE CA  . - A    218 ARG CA  . mod.= 5.426 id.= 5.429 dev=  0.003 sig.= 0.000
A    214 ILE CA  . - A    218 ARG C   . mod.= 4.669 id.= 4.673 dev=  0.004 sig.= 0.000
A    214 ILE CA  . - A    218 ARG O   . mod.= 4.027 id.= 4.029 dev=  0.002 sig.= 0.000
A    214 ILE CA  . - A    219 TYR C   . mod.= 5.713 id.= 5.698 dev= -0.015 sig.= 0.000
A    214 ILE CA  . - A    220 ALA N   . mod.= 5.621 id.= 5.617 dev= -0.004 sig.= 0.000
A    214 ILE C   . - A    215 THR C   . mod.= 3.155 id.= 3.160 dev=  0.005 sig.= 0.000
A    214 ILE C   . - A    217 ASN N   . mod.= 5.147 id.= 5.144 dev= -0.003 sig.= 0.000
A    214 ILE C   . - A    217 ASN CA  . mod.= 5.857 id.= 5.827 dev= -0.030 sig.= 0.000
A    214 ILE C   . - A    217 ASN C   . mod.= 5.710 id.= 5.712 dev=  0.002 sig.= 0.000
A    214 ILE C   . - A    218 ARG CA  . mod.= 5.076 id.= 5.074 dev= -0.002 sig.= 0.000
A    214 ILE C   . - A    218 ARG O   . mod.= 4.055 id.= 4.058 dev=  0.004 sig.= 0.000
A    214 ILE C   . - A    219 TYR N   . mod.= 5.612 id.= 5.606 dev= -0.007 sig.= 0.000
A    214 ILE C   . - A    219 TYR CA  . mod.= 5.967 id.= 5.964 dev= -0.003 sig.= 0.000
A    214 ILE O   . - A    215 THR O   . mod.= 3.296 id.= 3.285 dev= -0.012 sig.= 0.000
A    214 ILE O   . - A    216 GLY N   . mod.= 3.826 id.= 3.823 dev= -0.002 sig.= 0.000
A    214 ILE O   . - A    216 GLY CA  . mod.= 4.829 id.= 4.822 dev= -0.007 sig.= 0.000
A    214 ILE O   . - A    217 ASN N   . mod.= 4.204 id.= 4.201 dev= -0.003 sig.= 0.000
A    214 ILE O   . - A    217 ASN CA  . mod.= 4.792 id.= 4.757 dev= -0.035 sig.= 0.000
A    214 ILE O   . - A    217 ASN C   . mod.= 4.736 id.= 4.739 dev=  0.004 sig.= 0.000
A    214 ILE O   . - A    217 ASN O   . mod.= 5.869 id.= 5.872 dev=  0.003 sig.= 0.000
A    214 ILE O   . - A    218 ARG O   . mod.= 3.367 id.= 3.371 dev=  0.005 sig.= 0.000
A    214 ILE O   . - A    219 TYR N   . mod.= 5.233 id.= 5.228 dev= -0.005 sig.= 0.000
A    214 ILE O   . - A    219 TYR CA  . mod.= 5.701 id.= 5.698 dev= -0.003 sig.= 0.000
A    215 THR N   . - A    215 THR O   . mod.= 2.841 id.= 2.846 dev=  0.005 sig.= 0.000
A    215 THR N   . - A    216 GLY N   . mod.= 3.672 id.= 3.677 dev=  0.004 sig.= 0.000
A    215 THR N   . - A    216 GLY CA  . mod.= 4.944 id.= 4.948 dev=  0.004 sig.= 0.000
A    215 THR N   . - A    216 GLY C   . mod.= 5.484 id.= 5.489 dev=  0.005 sig.= 0.000
A    215 THR N   . - A    218 ARG N   . mod.= 5.347 id.= 5.350 dev=  0.003 sig.= 0.000
A    215 THR N   . - A    218 ARG CA  . mod.= 5.871 id.= 5.869 dev= -0.002 sig.= 0.000
A    215 THR CA  . - A    216 GLY CA  . mod.= 3.795 id.= 3.799 dev=  0.004 sig.= 0.000
A    215 THR CA  . - A    216 GLY C   . mod.= 4.631 id.= 4.637 dev=  0.006 sig.= 0.000
A    215 THR CA  . - A    217 ASN N   . mod.= 4.692 id.= 4.701 dev=  0.009 sig.= 0.000
A    215 THR CA  . - A    217 ASN CA  . mod.= 5.903 id.= 5.896 dev= -0.007 sig.= 0.000
A    215 THR CA  . - A    218 ARG N   . mod.= 5.392 id.= 5.396 dev=  0.004 sig.= 0.000
A    215 THR CA  . - A    218 ARG O   . mod.= 5.912 id.= 5.916 dev=  0.003 sig.= 0.000
A    215 THR C   . - A    216 GLY C   . mod.= 3.247 id.= 3.249 dev=  0.002 sig.= 0.000
A    215 THR C   . - A    217 ASN N   . mod.= 3.571 id.= 3.575 dev=  0.004 sig.= 0.000
A    215 THR C   . - A    217 ASN CA  . mod.= 4.845 id.= 4.847 dev=  0.002 sig.= 0.000
A    215 THR C   . - A    217 ASN C   . mod.= 5.142 id.= 5.147 dev=  0.005 sig.= 0.000
A    215 THR C   . - A    218 ARG N   . mod.= 4.447 id.= 4.451 dev=  0.004 sig.= 0.000
A    215 THR C   . - A    218 ARG CA  . mod.= 5.308 id.= 5.304 dev= -0.004 sig.= 0.000
A    215 THR C   . - A    218 ARG O   . mod.= 5.582 id.= 5.584 dev=  0.002 sig.= 0.000
A    215 THR O   . - A    216 GLY CA  . mod.= 2.817 id.= 2.819 dev=  0.003 sig.= 0.000
A    215 THR O   . - A    217 ASN CA  . mod.= 4.808 id.= 4.817 dev=  0.009 sig.= 0.000
A    215 THR O   . - A    217 ASN O   . mod.= 5.728 id.= 5.724 dev= -0.004 sig.= 0.000
A    215 THR O   . - A    218 ARG CA  . mod.= 4.511 id.= 4.504 dev= -0.007 sig.= 0.000
A    215 THR O   . - A    218 ARG C   . mod.= 5.097 id.= 5.094 dev= -0.002 sig.= 0.000
A    215 THR O   . - A    218 ARG O   . mod.= 5.112 id.= 5.110 dev= -0.002 sig.= 0.000
A    216 GLY N   . - A    216 GLY O   . mod.= 3.586 id.= 3.588 dev=  0.002 sig.= 0.000
A    216 GLY N   . - A    217 ASN C   . mod.= 5.016 id.= 5.019 dev=  0.003 sig.= 0.000
A    216 GLY N   . - A    218 ARG N   . mod.= 4.653 id.= 4.655 dev=  0.002 sig.= 0.000
A    216 GLY CA  . - A    217 ASN CA  . mod.= 3.823 id.= 3.837 dev=  0.014 sig.= 0.000
A    216 GLY CA  . - A    217 ASN O   . mod.= 5.460 id.= 5.456 dev= -0.004 sig.= 0.000
A    216 GLY CA  . - A    218 ARG CA  . mod.= 5.591 id.= 5.588 dev= -0.002 sig.= 0.000
A    216 GLY C   . - A    218 ARG O   . mod.= 5.650 id.= 5.645 dev= -0.005 sig.= 0.000
A    216 GLY O   . - A    217 ASN CA  . mod.= 2.830 id.= 2.901 dev=  0.071 sig.= 0.000
A    216 GLY O   . - A    217 ASN C   . mod.= 3.129 id.= 3.135 dev=  0.006 sig.= 0.000
A    216 GLY O   . - A    218 ARG N   . mod.= 3.448 id.= 3.451 dev=  0.003 sig.= 0.000
A    216 GLY O   . - A    218 ARG O   . mod.= 5.974 id.= 5.969 dev= -0.005 sig.= 0.000
A    217 ASN N   . - A    217 ASN O   . mod.= 3.549 id.= 3.552 dev=  0.003 sig.= 0.000
A    217 ASN N   . - A    218 ARG CA  . mod.= 4.235 id.= 4.239 dev=  0.004 sig.= 0.000
A    217 ASN N   . - A    218 ARG O   . mod.= 4.948 id.= 4.939 dev= -0.009 sig.= 0.000
A    217 ASN CA  . - A    218 ARG CA  . mod.= 3.747 id.= 3.773 dev=  0.027 sig.= 0.000
A    217 ASN CA  . - A    218 ARG C   . mod.= 4.639 id.= 4.635 dev= -0.004 sig.= 0.000
A    217 ASN CA  . - A    218 ARG O   . mod.= 4.541 id.= 4.508 dev= -0.032 sig.= 0.000
A    217 ASN CA  . - A    219 TYR N   . mod.= 5.840 id.= 5.846 dev=  0.006 sig.= 0.000
A    217 ASN C   . - A    218 ARG O   . mod.= 3.573 id.= 3.566 dev= -0.007 sig.= 0.000
A    217 ASN C   . - A    219 TYR N   . mod.= 4.471 id.= 4.479 dev=  0.008 sig.= 0.000
A    217 ASN C   . - A    219 TYR CA  . mod.= 5.699 id.= 5.702 dev=  0.003 sig.= 0.000
A    217 ASN O   . - A    218 ARG CA  . mod.= 2.631 id.= 2.636 dev=  0.005 sig.= 0.000
A    217 ASN O   . - A    218 ARG C   . mod.= 3.742 id.= 3.740 dev= -0.002 sig.= 0.000
A    217 ASN O   . - A    218 ARG O   . mod.= 4.188 id.= 4.181 dev= -0.008 sig.= 0.000
A    217 ASN O   . - A    219 TYR N   . mod.= 4.573 id.= 4.579 dev=  0.005 sig.= 0.000
A    218 ARG N   . - A    218 ARG O   . mod.= 2.595 id.= 2.587 dev= -0.007 sig.= 0.000
A    218 ARG N   . - A    219 TYR N   . mod.= 3.562 id.= 3.565 dev=  0.003 sig.= 0.000
A    218 ARG N   . - A    219 TYR C   . mod.= 5.806 id.= 5.810 dev=  0.004 sig.= 0.000
A    218 ARG N   . - A    219 TYR O   . mod.= 5.979 id.= 5.983 dev=  0.004 sig.= 0.000
A    218 ARG CA  . - A    219 TYR CA  . mod.= 3.743 id.= 3.747 dev=  0.004 sig.= 0.000
A    218 ARG CA  . - A    219 TYR C   . mod.= 4.614 id.= 4.620 dev=  0.006 sig.= 0.000
A    218 ARG CA  . - A    219 TYR O   . mod.= 4.640 id.= 4.643 dev=  0.003 sig.= 0.000
A    218 ARG CA  . - A    220 ALA N   . mod.= 5.715 id.= 5.723 dev=  0.007 sig.= 0.000
A    218 ARG C   . - A    219 TYR C   . mod.= 3.505 id.= 3.507 dev=  0.002 sig.= 0.000
A    218 ARG C   . - A    220 ALA N   . mod.= 4.498 id.= 4.501 dev=  0.003 sig.= 0.000
A    218 ARG O   . - A    219 TYR C   . mod.= 4.031 id.= 4.028 dev= -0.003 sig.= 0.000
A    218 ARG O   . - A    219 TYR O   . mod.= 4.678 id.= 4.672 dev= -0.006 sig.= 0.000
A    218 ARG O   . - A    220 ALA N   . mod.= 4.767 id.= 4.763 dev= -0.004 sig.= 0.000
A    219 TYR N   . - A    219 TYR O   . mod.= 2.629 id.= 2.633 dev=  0.004 sig.= 0.000
A    219 TYR N   . - A    220 ALA CA  . mod.= 4.702 id.= 4.708 dev=  0.006 sig.= 0.000
A    219 TYR N   . - A    220 ALA C   . mod.= 5.977 id.= 5.983 dev=  0.006 sig.= 0.000
A    219 TYR CA  . - A    220 ALA CA  . mod.= 3.777 id.= 3.779 dev=  0.002 sig.= 0.000
A    219 TYR O   . - A    220 ALA CA  . mod.= 2.718 id.= 2.720 dev=  0.002 sig.= 0.000
A    220 ALA N   . - A    220 ALA O   . mod.= 2.775 id.= 2.778 dev=  0.004 sig.= 0.000
A    220 ALA N   . - A    221 TYR CA  . mod.= 4.887 id.= 4.883 dev= -0.004 sig.= 0.000
A    220 ALA N   . - A    221 TYR C   . mod.= 5.538 id.= 5.543 dev=  0.005 sig.= 0.000
A    220 ALA N   . - A    221 TYR O   . mod.= 5.607 id.= 5.612 dev=  0.005 sig.= 0.000
A    220 ALA CA  . - A    221 TYR CA  . mod.= 3.762 id.= 3.764 dev=  0.002 sig.= 0.000
A    220 ALA CA  . - A    221 TYR C   . mod.= 4.398 id.= 4.395 dev= -0.003 sig.= 0.000
A    220 ALA CA  . - A    221 TYR O   . mod.= 4.359 id.= 4.351 dev= -0.008 sig.= 0.000
A    220 ALA C   . - A    222 MET N   . mod.= 4.075 id.= 4.079 dev=  0.004 sig.= 0.000
A    220 ALA C   . - A    222 MET CA  . mod.= 5.273 id.= 5.278 dev=  0.006 sig.= 0.000
A    220 ALA O   . - A    221 TYR CA  . mod.= 2.788 id.= 2.776 dev= -0.011 sig.= 0.000
A    220 ALA O   . - A    221 TYR C   . mod.= 3.322 id.= 3.318 dev= -0.003 sig.= 0.000
A    220 ALA O   . - A    221 TYR O   . mod.= 3.848 id.= 3.844 dev= -0.004 sig.= 0.000
A    220 ALA O   . - A    222 MET N   . mod.= 3.882 id.= 3.885 dev=  0.002 sig.= 0.000
A    220 ALA O   . - A    222 MET CA  . mod.= 5.052 id.= 5.059 dev=  0.006 sig.= 0.000
A    221 TYR N   . - A    222 MET CA  . mod.= 4.791 id.= 4.787 dev= -0.004 sig.= 0.000
A    221 TYR N   . - A    222 MET C   . mod.= 5.914 id.= 5.911 dev= -0.002 sig.= 0.000
A    221 TYR CA  . - A    222 MET CA  . mod.= 3.804 id.= 3.801 dev= -0.004 sig.= 0.000
A    221 TYR CA  . - A    222 MET C   . mod.= 4.704 id.= 4.702 dev= -0.002 sig.= 0.000
A    221 TYR CA  . - A    223 SER N   . mod.= 5.823 id.= 5.819 dev= -0.003 sig.= 0.000
A    221 TYR O   . - A    222 MET CA  . mod.= 2.774 id.= 2.770 dev= -0.004 sig.= 0.000
A    221 TYR O   . - A    223 SER N   . mod.= 4.921 id.= 4.919 dev= -0.002 sig.= 0.000
A    222 MET N   . - A    223 SER N   . mod.= 3.563 id.= 3.567 dev=  0.004 sig.= 0.000
A    222 MET N   . - A    223 SER CA  . mod.= 4.801 id.= 4.804 dev=  0.003 sig.= 0.000
A    222 MET CA  . - A    223 SER CA  . mod.= 3.802 id.= 3.806 dev=  0.004 sig.= 0.000
A    222 MET CA  . - A    223 SER O   . mod.= 4.684 id.= 4.682 dev= -0.002 sig.= 0.000
A    222 MET C   . - A    224 GLY CA  . mod.= 5.634 id.= 5.632 dev= -0.002 sig.= 0.000
A    222 MET O   . - A    223 SER C   . mod.= 3.904 id.= 3.906 dev=  0.002 sig.= 0.000
A    222 MET O   . - A    224 GLY N   . mod.= 4.559 id.= 4.563 dev=  0.004 sig.= 0.000
A    222 MET O   . - A    227 MET CA  . mod.= 5.979 id.= 5.977 dev= -0.002 sig.= 0.000
A    223 SER N   . - A    224 GLY N   . mod.= 3.561 id.= 3.563 dev=  0.003 sig.= 0.000
A    223 SER N   . - A    224 GLY C   . mod.= 5.847 id.= 5.849 dev=  0.002 sig.= 0.000
A    223 SER N   . - A    224 GLY O   . mod.= 5.831 id.= 5.834 dev=  0.003 sig.= 0.000
A    223 SER CA  . - A    224 GLY CA  . mod.= 3.783 id.= 3.775 dev= -0.008 sig.= 0.000
A    223 SER CA  . - A    224 GLY C   . mod.= 4.835 id.= 4.828 dev= -0.008 sig.= 0.000
A    223 SER CA  . - A    224 GLY O   . mod.= 4.849 id.= 4.841 dev= -0.008 sig.= 0.000
A    223 SER C   . - A    227 MET N   . mod.= 5.526 id.= 5.524 dev= -0.002 sig.= 0.000
A    223 SER C   . - A    227 MET CA  . mod.= 5.793 id.= 5.787 dev= -0.006 sig.= 0.000
A    223 SER O   . - A    224 GLY CA  . mod.= 2.688 id.= 2.685 dev= -0.002 sig.= 0.000
A    223 SER O   . - A    224 GLY O   . mod.= 4.618 id.= 4.616 dev= -0.002 sig.= 0.000
A    223 SER O   . - A    227 MET N   . mod.= 5.840 id.= 5.832 dev= -0.007 sig.= 0.000
A    224 GLY N   . - A    227 MET N   . mod.= 4.812 id.= 4.814 dev=  0.002 sig.= 0.000
A    224 GLY CA  . - A    226 SER N   . mod.= 4.038 id.= 4.035 dev= -0.003 sig.= 0.000
A    224 GLY CA  . - A    226 SER C   . mod.= 5.228 id.= 5.225 dev= -0.003 sig.= 0.000
A    224 GLY CA  . - A    227 MET CA  . mod.= 5.189 id.= 5.184 dev= -0.005 sig.= 0.000
A    224 GLY C   . - A    226 SER CA  . mod.= 4.315 id.= 4.318 dev=  0.003 sig.= 0.000
A    224 GLY C   . - A    226 SER O   . mod.= 5.681 id.= 5.686 dev=  0.004 sig.= 0.000
A    224 GLY C   . - A    227 MET CA  . mod.= 4.533 id.= 4.530 dev= -0.003 sig.= 0.000
A    224 GLY C   . - A    228 ALA CA  . mod.= 5.384 id.= 5.382 dev= -0.002 sig.= 0.000
A    224 GLY O   . - A    225 THR O   . mod.= 3.817 id.= 3.815 dev= -0.002 sig.= 0.000
A    224 GLY O   . - A    226 SER CA  . mod.= 4.314 id.= 4.316 dev=  0.002 sig.= 0.000
A    224 GLY O   . - A    226 SER O   . mod.= 5.221 id.= 5.224 dev=  0.003 sig.= 0.000
A    224 GLY O   . - A    227 MET CA  . mod.= 3.610 id.= 3.608 dev= -0.003 sig.= 0.000
A    224 GLY O   . - A    227 MET O   . mod.= 5.014 id.= 5.012 dev= -0.003 sig.= 0.000
A    224 GLY O   . - A    228 ALA C   . mod.= 5.599 id.= 5.596 dev= -0.002 sig.= 0.000
A    225 THR N   . - A    226 SER O   . mod.= 5.874 id.= 5.877 dev=  0.003 sig.= 0.000
A    225 THR N   . - A    228 ALA CA  . mod.= 5.646 id.= 5.643 dev= -0.002 sig.= 0.000
A    225 THR CA  . - A    226 SER CA  . mod.= 3.839 id.= 3.843 dev=  0.003 sig.= 0.000
A    225 THR CA  . - A    226 SER C   . mod.= 4.517 id.= 4.522 dev=  0.005 sig.= 0.000
A    225 THR CA  . - A    226 SER O   . mod.= 5.657 id.= 5.661 dev=  0.004 sig.= 0.000
A    225 THR CA  . - A    228 ALA CA  . mod.= 4.850 id.= 4.848 dev= -0.002 sig.= 0.000
A    225 THR CA  . - A    228 ALA C   . mod.= 5.612 id.= 5.610 dev= -0.002 sig.= 0.000
A    225 THR C   . - A    226 SER C   . mod.= 3.206 id.= 3.211 dev=  0.005 sig.= 0.000
A    225 THR C   . - A    226 SER O   . mod.= 4.266 id.= 4.269 dev=  0.003 sig.= 0.000
A    225 THR C   . - A    228 ALA CA  . mod.= 4.363 id.= 4.361 dev= -0.003 sig.= 0.000
A    225 THR C   . - A    228 ALA C   . mod.= 4.847 id.= 4.844 dev= -0.003 sig.= 0.000
A    225 THR O   . - A    226 SER CA  . mod.= 2.805 id.= 2.808 dev=  0.003 sig.= 0.000
A    225 THR O   . - A    226 SER C   . mod.= 3.250 id.= 3.256 dev=  0.006 sig.= 0.000
A    225 THR O   . - A    226 SER O   . mod.= 4.093 id.= 4.096 dev=  0.003 sig.= 0.000
A    225 THR O   . - A    227 MET C   . mod.= 4.116 id.= 4.113 dev= -0.003 sig.= 0.000
A    225 THR O   . - A    228 ALA CA  . mod.= 3.561 id.= 3.556 dev= -0.005 sig.= 0.000
A    225 THR O   . - A    228 ALA C   . mod.= 3.771 id.= 3.767 dev= -0.005 sig.= 0.000
A    225 THR O   . - A    228 ALA O   . mod.= 4.982 id.= 4.977 dev= -0.004 sig.= 0.000
A    225 THR O   . - A    229 SER C   . mod.= 5.319 id.= 5.328 dev=  0.009 sig.= 0.000
A    225 THR O   . - A    230 PRO N   . mod.= 5.597 id.= 5.603 dev=  0.006 sig.= 0.000
A    226 SER N   . - A    226 SER O   . mod.= 3.599 id.= 3.602 dev=  0.002 sig.= 0.000
A    226 SER N   . - A    229 SER N   . mod.= 4.910 id.= 4.913 dev=  0.002 sig.= 0.000
A    226 SER N   . - A    229 SER CA  . mod.= 5.749 id.= 5.752 dev=  0.003 sig.= 0.000
A    226 SER CA  . - A    227 MET CA  . mod.= 3.879 id.= 3.882 dev=  0.003 sig.= 0.000
A    226 SER CA  . - A    227 MET O   . mod.= 5.540 id.= 5.544 dev=  0.003 sig.= 0.000
A    226 SER CA  . - A    228 ALA N   . mod.= 4.251 id.= 4.254 dev=  0.003 sig.= 0.000
A    226 SER CA  . - A    229 SER N   . mod.= 4.711 id.= 4.714 dev=  0.003 sig.= 0.000
A    226 SER CA  . - A    229 SER CA  . mod.= 5.308 id.= 5.311 dev=  0.003 sig.= 0.000
A    226 SER C   . - A    228 ALA N   . mod.= 3.383 id.= 3.386 dev=  0.003 sig.= 0.000
A    226 SER C   . - A    228 ALA CA  . mod.= 4.653 id.= 4.657 dev=  0.004 sig.= 0.000
A    226 SER C   . - A    228 ALA C   . mod.= 4.925 id.= 4.929 dev=  0.004 sig.= 0.000
A    226 SER C   . - A    229 SER N   . mod.= 4.294 id.= 4.300 dev=  0.006 sig.= 0.000
A    226 SER C   . - A    229 SER CA  . mod.= 5.011 id.= 5.017 dev=  0.006 sig.= 0.000
A    226 SER C   . - A    229 SER C   . mod.= 5.667 id.= 5.673 dev=  0.007 sig.= 0.000
A    226 SER C   . - A    230 PRO N   . mod.= 5.172 id.= 5.179 dev=  0.008 sig.= 0.000
A    226 SER O   . - A    227 MET CA  . mod.= 2.836 id.= 2.841 dev=  0.005 sig.= 0.000
A    226 SER O   . - A    227 MET O   . mod.= 4.207 id.= 4.209 dev=  0.003 sig.= 0.000
A    226 SER O   . - A    228 ALA N   . mod.= 3.951 id.= 3.953 dev=  0.002 sig.= 0.000
A    226 SER O   . - A    228 ALA CA  . mod.= 5.109 id.= 5.112 dev=  0.003 sig.= 0.000
A    226 SER O   . - A    230 PRO N   . mod.= 4.539 id.= 4.543 dev=  0.003 sig.= 0.000
A    226 SER O   . - A    230 PRO CA  . mod.= 5.459 id.= 5.466 dev=  0.007 sig.= 0.000
A    227 MET N   . - A    227 MET O   . mod.= 3.509 id.= 3.506 dev= -0.003 sig.= 0.000
A    227 MET CA  . - A    228 ALA CA  . mod.= 3.819 id.= 3.821 dev=  0.002 sig.= 0.000
A    227 MET CA  . - A    228 ALA O   . mod.= 5.415 id.= 5.417 dev=  0.002 sig.= 0.000
A    227 MET C   . - A    229 SER CA  . mod.= 4.745 id.= 4.740 dev= -0.005 sig.= 0.000
A    227 MET C   . - A    230 PRO N   . mod.= 4.538 id.= 4.534 dev= -0.004 sig.= 0.000
A    227 MET C   . - A    230 PRO CA  . mod.= 5.456 id.= 5.454 dev= -0.002 sig.= 0.000
A    227 MET C   . - A    230 PRO C   . mod.= 5.895 id.= 5.890 dev= -0.005 sig.= 0.000
A    227 MET C   . - A    231 HIS N   . mod.= 5.259 id.= 5.255 dev= -0.004 sig.= 0.000
A    227 MET O   . - A    228 ALA CA  . mod.= 2.775 id.= 2.780 dev=  0.004 sig.= 0.000
A    227 MET O   . - A    228 ALA C   . mod.= 3.252 id.= 3.256 dev=  0.005 sig.= 0.000
A    227 MET O   . - A    228 ALA O   . mod.= 3.656 id.= 3.661 dev=  0.004 sig.= 0.000
A    227 MET O   . - A    229 SER O   . mod.= 5.857 id.= 5.854 dev= -0.003 sig.= 0.000
A    227 MET O   . - A    230 PRO CA  . mod.= 4.856 id.= 4.854 dev= -0.002 sig.= 0.000
A    227 MET O   . - A    230 PRO C   . mod.= 5.051 id.= 5.046 dev= -0.005 sig.= 0.000
A    227 MET O   . - A    231 HIS N   . mod.= 4.351 id.= 4.348 dev= -0.003 sig.= 0.000
A    227 MET O   . - A    231 HIS CA  . mod.= 5.148 id.= 5.141 dev= -0.007 sig.= 0.000
A    228 ALA N   . - A    229 SER CA  . mod.= 4.245 id.= 4.242 dev= -0.003 sig.= 0.000
A    228 ALA N   . - A    229 SER C   . mod.= 4.975 id.= 4.977 dev=  0.002 sig.= 0.000
A    228 ALA N   . - A    231 HIS N   . mod.= 5.608 id.= 5.602 dev= -0.006 sig.= 0.000
A    228 ALA CA  . - A    229 SER CA  . mod.= 3.823 id.= 3.818 dev= -0.006 sig.= 0.000
A    228 ALA CA  . - A    229 SER C   . mod.= 4.569 id.= 4.573 dev=  0.003 sig.= 0.000
A    228 ALA CA  . - A    229 SER O   . mod.= 5.383 id.= 5.381 dev= -0.003 sig.= 0.000
A    228 ALA CA  . - A    230 PRO C   . mod.= 5.986 id.= 5.982 dev= -0.004 sig.= 0.000
A    228 ALA CA  . - A    231 HIS N   . mod.= 5.046 id.= 5.040 dev= -0.007 sig.= 0.000
A    228 ALA CA  . - A    231 HIS CA  . mod.= 5.668 id.= 5.654 dev= -0.013 sig.= 0.000
A    228 ALA C   . - A    229 SER C   . mod.= 3.162 id.= 3.167 dev=  0.005 sig.= 0.000
A    228 ALA C   . - A    230 PRO CA  . mod.= 4.689 id.= 4.692 dev=  0.003 sig.= 0.000
A    228 ALA C   . - A    231 HIS N   . mod.= 4.064 id.= 4.062 dev= -0.002 sig.= 0.000
A    228 ALA C   . - A    231 HIS CA  . mod.= 4.818 id.= 4.811 dev= -0.007 sig.= 0.000
A    228 ALA C   . - A    231 HIS C   . mod.= 5.380 id.= 5.375 dev= -0.006 sig.= 0.000
A    228 ALA C   . - A    232 VAL N   . mod.= 4.779 id.= 4.776 dev= -0.002 sig.= 0.000
A    228 ALA O   . - A    229 SER CA  . mod.= 2.898 id.= 2.892 dev= -0.006 sig.= 0.000
A    228 ALA O   . - A    229 SER C   . mod.= 3.077 id.= 3.081 dev=  0.004 sig.= 0.000
A    228 ALA O   . - A    229 SER O   . mod.= 3.479 id.= 3.475 dev= -0.003 sig.= 0.000
A    228 ALA O   . - A    230 PRO O   . mod.= 5.376 id.= 5.372 dev= -0.004 sig.= 0.000
A    228 ALA O   . - A    231 HIS N   . mod.= 3.241 id.= 3.238 dev= -0.004 sig.= 0.000
A    228 ALA O   . - A    231 HIS CA  . mod.= 3.763 id.= 3.755 dev= -0.008 sig.= 0.000
A    228 ALA O   . - A    231 HIS C   . mod.= 4.225 id.= 4.218 dev= -0.007 sig.= 0.000
A    228 ALA O   . - A    231 HIS O   . mod.= 5.447 id.= 5.442 dev= -0.005 sig.= 0.000
A    228 ALA O   . - A    232 VAL N   . mod.= 3.664 id.= 3.661 dev= -0.003 sig.= 0.000
A    228 ALA O   . - A    232 VAL CA  . mod.= 4.742 id.= 4.740 dev= -0.002 sig.= 0.000
A    229 SER N   . - A    229 SER O   . mod.= 3.533 id.= 3.536 dev=  0.003 sig.= 0.000
A    229 SER N   . - A    230 PRO N   . mod.= 3.092 id.= 3.096 dev=  0.004 sig.= 0.000
A    229 SER N   . - A    230 PRO CA  . mod.= 4.511 id.= 4.517 dev=  0.006 sig.= 0.000
A    229 SER N   . - A    230 PRO C   . mod.= 5.115 id.= 5.118 dev=  0.003 sig.= 0.000
A    229 SER N   . - A    231 HIS CA  . mod.= 5.580 id.= 5.575 dev= -0.005 sig.= 0.000
A    229 SER CA  . - A    230 PRO CA  . mod.= 3.895 id.= 3.903 dev=  0.008 sig.= 0.000
A    229 SER CA  . - A    230 PRO C   . mod.= 4.654 id.= 4.659 dev=  0.005 sig.= 0.000
A    229 SER CA  . - A    230 PRO O   . mod.= 5.740 id.= 5.746 dev=  0.006 sig.= 0.000
A    229 SER CA  . - A    231 HIS C   . mod.= 5.678 id.= 5.675 dev= -0.003 sig.= 0.000
A    229 SER CA  . - A    232 VAL CA  . mod.= 5.373 id.= 5.371 dev= -0.002 sig.= 0.000
A    229 SER CA  . - A    232 VAL C   . mod.= 5.897 id.= 5.900 dev=  0.004 sig.= 0.000
A    229 SER CA  . - A    233 ALA N   . mod.= 5.346 id.= 5.352 dev=  0.007 sig.= 0.000
A    229 SER C   . - A    231 HIS CA  . mod.= 4.490 id.= 4.493 dev=  0.002 sig.= 0.000
A    229 SER C   . - A    232 VAL N   . mod.= 3.840 id.= 3.842 dev=  0.002 sig.= 0.000
A    229 SER O   . - A    231 HIS N   . mod.= 3.274 id.= 3.270 dev= -0.004 sig.= 0.000
A    229 SER O   . - A    231 HIS C   . mod.= 3.984 id.= 3.980 dev= -0.004 sig.= 0.000
A    229 SER O   . - A    232 VAL N   . mod.= 3.036 id.= 3.033 dev= -0.003 sig.= 0.000
A    229 SER O   . - A    232 VAL CA  . mod.= 3.487 id.= 3.483 dev= -0.005 sig.= 0.000
A    229 SER O   . - A    233 ALA CA  . mod.= 3.926 id.= 3.929 dev=  0.002 sig.= 0.000
A    229 SER O   . - A    233 ALA C   . mod.= 5.153 id.= 5.157 dev=  0.004 sig.= 0.000
A    230 PRO N   . - A    230 PRO O   . mod.= 3.651 id.= 3.654 dev=  0.003 sig.= 0.000
A    230 PRO N   . - A    231 HIS N   . mod.= 2.820 id.= 2.822 dev=  0.003 sig.= 0.000
A    230 PRO N   . - A    231 HIS CA  . mod.= 4.250 id.= 4.253 dev=  0.003 sig.= 0.000
A    230 PRO N   . - A    232 VAL CA  . mod.= 5.294 id.= 5.292 dev= -0.002 sig.= 0.000
A    230 PRO N   . - A    234 GLY N   . mod.= 5.851 id.= 5.853 dev=  0.002 sig.= 0.000
A    230 PRO CA  . - A    231 HIS CA  . mod.= 3.833 id.= 3.839 dev=  0.007 sig.= 0.000
A    230 PRO CA  . - A    231 HIS C   . mod.= 4.362 id.= 4.365 dev=  0.003 sig.= 0.000
A    230 PRO CA  . - A    232 VAL C   . mod.= 5.130 id.= 5.128 dev= -0.002 sig.= 0.000
A    230 PRO CA  . - A    233 ALA N   . mod.= 4.050 id.= 4.047 dev= -0.004 sig.= 0.000
A    230 PRO CA  . - A    233 ALA CA  . mod.= 4.479 id.= 4.475 dev= -0.004 sig.= 0.000
A    230 PRO CA  . - A    233 ALA C   . mod.= 5.133 id.= 5.130 dev= -0.002 sig.= 0.000
A    230 PRO C   . - A    231 HIS C   . mod.= 3.051 id.= 3.055 dev=  0.004 sig.= 0.000
A    230 PRO C   . - A    233 ALA N   . mod.= 3.581 id.= 3.578 dev= -0.003 sig.= 0.000
A    230 PRO C   . - A    233 ALA CA  . mod.= 4.217 id.= 4.213 dev= -0.004 sig.= 0.000
A    230 PRO C   . - A    233 ALA C   . mod.= 4.550 id.= 4.547 dev= -0.003 sig.= 0.000
A    230 PRO C   . - A    233 ALA O   . mod.= 5.769 id.= 5.766 dev= -0.003 sig.= 0.000
A    230 PRO C   . - A    234 GLY N   . mod.= 3.817 id.= 3.814 dev= -0.002 sig.= 0.000
A    230 PRO O   . - A    231 HIS CA  . mod.= 2.849 id.= 2.853 dev=  0.003 sig.= 0.000
A    230 PRO O   . - A    231 HIS C   . mod.= 3.157 id.= 3.160 dev=  0.002 sig.= 0.000
A    231 HIS N   . - A    231 HIS O   . mod.= 3.432 id.= 3.429 dev= -0.004 sig.= 0.000
A    231 HIS N   . - A    232 VAL CA  . mod.= 4.119 id.= 4.117 dev= -0.002 sig.= 0.000
A    231 HIS N   . - A    232 VAL C   . mod.= 4.582 id.= 4.580 dev= -0.002 sig.= 0.000
A    231 HIS N   . - A    232 VAL O   . mod.= 5.693 id.= 5.689 dev= -0.004 sig.= 0.000
A    231 HIS N   . - A    233 ALA N   . mod.= 4.049 id.= 4.046 dev= -0.003 sig.= 0.000
A    231 HIS N   . - A    233 ALA CA  . mod.= 5.022 id.= 5.019 dev= -0.003 sig.= 0.000
A    231 HIS N   . - A    233 ALA C   . mod.= 5.396 id.= 5.394 dev= -0.002 sig.= 0.000
A    231 HIS N   . - A    234 GLY N   . mod.= 4.592 id.= 4.588 dev= -0.003 sig.= 0.000
A    231 HIS N   . - A    234 GLY CA  . mod.= 5.360 id.= 5.357 dev= -0.003 sig.= 0.000
A    231 HIS N   . - A    235 LEU N   . mod.= 5.993 id.= 5.990 dev= -0.003 sig.= 0.000
A    231 HIS CA  . - A    232 VAL CA  . mod.= 3.840 id.= 3.843 dev=  0.003 sig.= 0.000
A    231 HIS CA  . - A    232 VAL C   . mod.= 4.505 id.= 4.508 dev=  0.004 sig.= 0.000
A    231 HIS CA  . - A    233 ALA N   . mod.= 4.345 id.= 4.348 dev=  0.003 sig.= 0.000
A    231 HIS CA  . - A    233 ALA CA  . mod.= 5.423 id.= 5.426 dev=  0.004 sig.= 0.000
A    231 HIS CA  . - A    233 ALA C   . mod.= 5.534 id.= 5.538 dev=  0.004 sig.= 0.000
A    231 HIS CA  . - A    234 GLY N   . mod.= 4.560 id.= 4.562 dev=  0.003 sig.= 0.000
A    231 HIS CA  . - A    234 GLY CA  . mod.= 5.055 id.= 5.058 dev=  0.002 sig.= 0.000
A    231 HIS C   . - A    232 VAL O   . mod.= 4.016 id.= 4.014 dev= -0.002 sig.= 0.000
A    231 HIS C   . - A    235 LEU CA  . mod.= 5.103 id.= 5.097 dev= -0.006 sig.= 0.000
A    231 HIS O   . - A    232 VAL CA  . mod.= 2.799 id.= 2.805 dev=  0.005 sig.= 0.000
A    231 HIS O   . - A    232 VAL C   . mod.= 3.165 id.= 3.169 dev=  0.004 sig.= 0.000
A    231 HIS O   . - A    234 GLY CA  . mod.= 3.764 id.= 3.762 dev= -0.002 sig.= 0.000
A    231 HIS O   . - A    234 GLY C   . mod.= 3.864 id.= 3.862 dev= -0.002 sig.= 0.000
A    231 HIS O   . - A    235 LEU CA  . mod.= 3.959 id.= 3.953 dev= -0.006 sig.= 0.000
A    231 HIS O   . - A    235 LEU C   . mod.= 5.132 id.= 5.130 dev= -0.002 sig.= 0.000
A    232 VAL N   . - A    235 LEU CA  . mod.= 5.584 id.= 5.578 dev= -0.006 sig.= 0.000
A    232 VAL CA  . - A    235 LEU CA  . mod.= 5.026 id.= 5.024 dev= -0.002 sig.= 0.000
A    232 VAL C   . - A    236 ALA CA  . mod.= 4.878 id.= 4.876 dev= -0.002 sig.= 0.000
A    232 VAL O   . - A    233 ALA C   . mod.= 3.138 id.= 3.140 dev=  0.002 sig.= 0.000
A    233 ALA N   . - A    235 LEU CA  . mod.= 5.226 id.= 5.224 dev= -0.002 sig.= 0.000
A    233 ALA CA  . - A    234 GLY C   . mod.= 4.462 id.= 4.465 dev=  0.002 sig.= 0.000
A    233 ALA C   . - A    234 GLY O   . mod.= 3.868 id.= 3.866 dev= -0.002 sig.= 0.000
A    233 ALA O   . - A    234 GLY O   . mod.= 3.530 id.= 3.527 dev= -0.003 sig.= 0.000
A    233 ALA O   . - A    236 ALA N   . mod.= 3.318 id.= 3.316 dev= -0.002 sig.= 0.000
A    233 ALA O   . - A    237 ALA CA  . mod.= 3.886 id.= 3.889 dev=  0.003 sig.= 0.000
A    234 GLY N   . - A    235 LEU CA  . mod.= 4.225 id.= 4.221 dev= -0.004 sig.= 0.000
A    234 GLY N   . - A    237 ALA CA  . mod.= 5.550 id.= 5.552 dev=  0.002 sig.= 0.000
A    234 GLY CA  . - A    235 LEU CA  . mod.= 3.864 id.= 3.860 dev= -0.004 sig.= 0.000
A    234 GLY CA  . - A    235 LEU O   . mod.= 5.416 id.= 5.414 dev= -0.002 sig.= 0.000
A    234 GLY C   . - A    235 LEU O   . mod.= 3.964 id.= 3.960 dev= -0.004 sig.= 0.000
A    234 GLY O   . - A    235 LEU CA  . mod.= 2.846 id.= 2.848 dev=  0.002 sig.= 0.000
A    234 GLY O   . - A    235 LEU C   . mod.= 3.146 id.= 3.149 dev=  0.003 sig.= 0.000
A    234 GLY O   . - A    236 ALA N   . mod.= 3.522 id.= 3.525 dev=  0.003 sig.= 0.000
A    234 GLY O   . - A    237 ALA CA  . mod.= 3.597 id.= 3.594 dev= -0.003 sig.= 0.000
A    235 LEU N   . - A    235 LEU O   . mod.= 3.517 id.= 3.512 dev= -0.005 sig.= 0.000
A    235 LEU N   . - A    236 ALA CA  . mod.= 4.219 id.= 4.217 dev= -0.002 sig.= 0.000
A    235 LEU N   . - A    236 ALA O   . mod.= 5.823 id.= 5.819 dev= -0.003 sig.= 0.000
A    235 LEU N   . - A    238 LEU N   . mod.= 4.732 id.= 4.730 dev= -0.002 sig.= 0.000
A    235 LEU CA  . - A    237 ALA N   . mod.= 4.263 id.= 4.266 dev=  0.003 sig.= 0.000
A    235 LEU CA  . - A    237 ALA CA  . mod.= 5.291 id.= 5.294 dev=  0.002 sig.= 0.000
A    235 LEU CA  . - A    237 ALA C   . mod.= 5.327 id.= 5.329 dev=  0.002 sig.= 0.000
A    235 LEU CA  . - A    238 LEU CA  . mod.= 4.986 id.= 4.989 dev=  0.003 sig.= 0.000
A    235 LEU C   . - A    236 ALA O   . mod.= 3.897 id.= 3.894 dev= -0.003 sig.= 0.000
A    235 LEU C   . - A    237 ALA N   . mod.= 3.233 id.= 3.235 dev=  0.002 sig.= 0.000
A    235 LEU C   . - A    237 ALA CA  . mod.= 4.399 id.= 4.401 dev=  0.002 sig.= 0.000
A    235 LEU C   . - A    238 LEU CA  . mod.= 4.487 id.= 4.489 dev=  0.002 sig.= 0.000
A    235 LEU C   . - A    239 LEU CA  . mod.= 5.052 id.= 5.049 dev= -0.003 sig.= 0.000
A    235 LEU C   . - A    240 ALA N   . mod.= 5.903 id.= 5.901 dev= -0.002 sig.= 0.000
A    235 LEU O   . - A    236 ALA CA  . mod.= 2.819 id.= 2.825 dev=  0.006 sig.= 0.000
A    235 LEU O   . - A    236 ALA C   . mod.= 3.053 id.= 3.058 dev=  0.004 sig.= 0.000
A    235 LEU O   . - A    236 ALA O   . mod.= 3.521 id.= 3.523 dev=  0.002 sig.= 0.000
A    235 LEU O   . - A    237 ALA N   . mod.= 3.386 id.= 3.392 dev=  0.005 sig.= 0.000
A    235 LEU O   . - A    237 ALA CA  . mod.= 4.325 id.= 4.329 dev=  0.004 sig.= 0.000
A    235 LEU O   . - A    238 LEU C   . mod.= 3.823 id.= 3.821 dev= -0.002 sig.= 0.000
A    236 ALA N   . - A    236 ALA O   . mod.= 3.491 id.= 3.486 dev= -0.005 sig.= 0.000
A    236 ALA N   . - A    238 LEU CA  . mod.= 5.299 id.= 5.302 dev=  0.002 sig.= 0.000
A    236 ALA N   . - A    239 LEU CA  . mod.= 5.564 id.= 5.561 dev= -0.003 sig.= 0.000
A    236 ALA N   . - A    240 ALA N   . mod.= 5.974 id.= 5.970 dev= -0.004 sig.= 0.000
A    236 ALA CA  . - A    237 ALA CA  . mod.= 3.825 id.= 3.829 dev=  0.004 sig.= 0.000
A    236 ALA CA  . - A    237 ALA O   . mod.= 5.468 id.= 5.466 dev= -0.002 sig.= 0.000
A    236 ALA CA  . - A    239 LEU C   . mod.= 5.605 id.= 5.603 dev= -0.002 sig.= 0.000
A    236 ALA CA  . - A    249 ILE O   . mod.= 5.953 id.= 5.960 dev=  0.007 sig.= 0.000
A    236 ALA C   . - A    238 LEU N   . mod.= 3.406 id.= 3.408 dev=  0.003 sig.= 0.000
A    236 ALA C   . - A    238 LEU CA  . mod.= 4.623 id.= 4.626 dev=  0.003 sig.= 0.000
A    236 ALA O   . - A    237 ALA CA  . mod.= 2.839 id.= 2.847 dev=  0.007 sig.= 0.000
A    236 ALA O   . - A    238 LEU N   . mod.= 3.605 id.= 3.608 dev=  0.003 sig.= 0.000
A    236 ALA O   . - A    238 LEU CA  . mod.= 4.590 id.= 4.592 dev=  0.002 sig.= 0.000
A    237 ALA N   . - A    237 ALA O   . mod.= 3.534 id.= 3.531 dev= -0.002 sig.= 0.000
A    237 ALA N   . - A    238 LEU C   . mod.= 4.753 id.= 4.756 dev=  0.002 sig.= 0.000
A    237 ALA CA  . - A    238 LEU O   . mod.= 5.317 id.= 5.315 dev= -0.002 sig.= 0.000
A    237 ALA C   . - A    238 LEU C   . mod.= 3.101 id.= 3.105 dev=  0.003 sig.= 0.000
A    237 ALA O   . - A    238 LEU CA  . mod.= 2.812 id.= 2.816 dev=  0.004 sig.= 0.000
A    237 ALA O   . - A    238 LEU C   . mod.= 3.106 id.= 3.111 dev=  0.006 sig.= 0.000
A    237 ALA O   . - A    238 LEU O   . mod.= 3.480 id.= 3.482 dev=  0.003 sig.= 0.000
A    237 ALA O   . - A    240 ALA N   . mod.= 3.400 id.= 3.398 dev= -0.003 sig.= 0.000
A    238 LEU N   . - A    241 SER CA  . mod.= 5.792 id.= 5.794 dev=  0.002 sig.= 0.000
A    238 LEU C   . - A    239 LEU O   . mod.= 3.998 id.= 3.996 dev= -0.002 sig.= 0.000
A    238 LEU C   . - A    241 SER CA  . mod.= 4.635 id.= 4.638 dev=  0.003 sig.= 0.000
A    238 LEU C   . - A    242 GLN CA  . mod.= 5.814 id.= 5.811 dev= -0.002 sig.= 0.000
A    238 LEU O   . - A    242 GLN N   . mod.= 3.698 id.= 3.701 dev=  0.003 sig.= 0.000
A    239 LEU N   . - A    240 ALA O   . mod.= 5.891 id.= 5.889 dev= -0.002 sig.= 0.000
A    239 LEU N   . - A    241 SER N   . mod.= 4.244 id.= 4.242 dev= -0.002 sig.= 0.000
A    239 LEU CA  . - A    240 ALA O   . mod.= 5.499 id.= 5.497 dev= -0.002 sig.= 0.000
A    239 LEU CA  . - A    242 GLN N   . mod.= 4.761 id.= 4.763 dev=  0.002 sig.= 0.000
A    239 LEU CA  . - A    244 ARG N   . mod.= 5.937 id.= 5.934 dev= -0.003 sig.= 0.000
A    239 LEU CA  . - A    249 ILE CA  . mod.= 5.855 id.= 5.849 dev= -0.005 sig.= 0.000
A    239 LEU C   . - A    243 GLY N   . mod.= 4.889 id.= 4.892 dev=  0.003 sig.= 0.000
A    239 LEU C   . - A    244 ARG C   . mod.= 5.448 id.= 5.445 dev= -0.002 sig.= 0.000
A    239 LEU C   . - A    244 ARG O   . mod.= 4.906 id.= 4.903 dev= -0.002 sig.= 0.000
A    239 LEU O   . - A    240 ALA CA  . mod.= 2.808 id.= 2.810 dev=  0.002 sig.= 0.000
A    239 LEU O   . - A    240 ALA C   . mod.= 3.162 id.= 3.164 dev=  0.002 sig.= 0.000
A    239 LEU O   . - A    242 GLN CA  . mod.= 3.741 id.= 3.739 dev= -0.002 sig.= 0.000
A    239 LEU O   . - A    243 GLY N   . mod.= 3.868 id.= 3.871 dev=  0.003 sig.= 0.000
A    240 ALA N   . - A    240 ALA O   . mod.= 3.579 id.= 3.575 dev= -0.004 sig.= 0.000
A    240 ALA N   . - A    241 SER N   . mod.= 2.813 id.= 2.811 dev= -0.002 sig.= 0.000
A    240 ALA N   . - A    241 SER CA  . mod.= 4.263 id.= 4.261 dev= -0.002 sig.= 0.000
A    240 ALA C   . - A    241 SER C   . mod.= 3.212 id.= 3.214 dev=  0.003 sig.= 0.000
A    240 ALA O   . - A    241 SER C   . mod.= 3.234 id.= 3.239 dev=  0.004 sig.= 0.000
A    240 ALA O   . - A    243 GLY C   . mod.= 4.220 id.= 4.217 dev= -0.003 sig.= 0.000
A    240 ALA O   . - A    243 GLY O   . mod.= 5.178 id.= 5.173 dev= -0.005 sig.= 0.000
A    240 ALA O   . - A    244 ARG C   . mod.= 5.360 id.= 5.358 dev= -0.003 sig.= 0.000
A    241 SER N   . - A    241 SER O   . mod.= 3.608 id.= 3.606 dev= -0.002 sig.= 0.000
A    241 SER N   . - A    242 GLN N   . mod.= 2.737 id.= 2.735 dev= -0.002 sig.= 0.000
A    241 SER N   . - A    242 GLN CA  . mod.= 4.162 id.= 4.160 dev= -0.002 sig.= 0.000
A    241 SER C   . - A    242 GLN O   . mod.= 4.455 id.= 4.458 dev=  0.003 sig.= 0.000
A    241 SER C   . - A    243 GLY N   . mod.= 3.189 id.= 3.192 dev=  0.003 sig.= 0.000
A    241 SER C   . - A    243 GLY CA  . mod.= 4.508 id.= 4.510 dev=  0.002 sig.= 0.000
A    241 SER C   . - A    243 GLY C   . mod.= 5.624 id.= 5.626 dev=  0.002 sig.= 0.000
A    241 SER O   . - A    242 GLN O   . mod.= 4.478 id.= 4.481 dev=  0.003 sig.= 0.000
A    242 GLN N   . - A    243 GLY CA  . mod.= 4.117 id.= 4.114 dev= -0.003 sig.= 0.000
A    242 GLN N   . - A    244 ARG N   . mod.= 4.688 id.= 4.686 dev= -0.002 sig.= 0.000
A    242 GLN CA  . - A    243 GLY C   . mod.= 4.649 id.= 4.651 dev=  0.002 sig.= 0.000
A    242 GLN CA  . - A    244 ARG CA  . mod.= 5.621 id.= 5.623 dev=  0.002 sig.= 0.000
A    243 GLY N   . - A    243 GLY O   . mod.= 3.641 id.= 3.639 dev= -0.003 sig.= 0.000
A    243 GLY N   . - A    244 ARG CA  . mod.= 4.219 id.= 4.221 dev=  0.002 sig.= 0.000
A    243 GLY O   . - A    244 ARG O   . mod.= 3.536 id.= 3.534 dev= -0.002 sig.= 0.000
A    243 GLY O   . - A    245 ASN C   . mod.= 5.851 id.= 5.853 dev=  0.002 sig.= 0.000
A    244 ARG N   . - A    245 ASN N   . mod.= 3.512 id.= 3.509 dev= -0.003 sig.= 0.000
A    244 ARG CA  . - A    245 ASN O   . mod.= 4.172 id.= 4.170 dev= -0.003 sig.= 0.000
A    244 ARG CA  . - A    248 GLU CA  . mod.= 5.467 id.= 5.462 dev= -0.005 sig.= 0.000
A    244 ARG CA  . - A    248 GLU C   . mod.= 5.490 id.= 5.485 dev= -0.005 sig.= 0.000
A    244 ARG C   . - A    248 GLU N   . mod.= 5.506 id.= 5.502 dev= -0.004 sig.= 0.000
A    244 ARG C   . - A    248 GLU CA  . mod.= 5.301 id.= 5.299 dev= -0.003 sig.= 0.000
A    244 ARG C   . - A    248 GLU C   . mod.= 5.385 id.= 5.382 dev= -0.003 sig.= 0.000
A    244 ARG O   . - A    245 ASN CA  . mod.= 2.798 id.= 2.789 dev= -0.009 sig.= 0.000
A    244 ARG O   . - A    245 ASN C   . mod.= 3.267 id.= 3.265 dev= -0.003 sig.= 0.000
A    244 ARG O   . - A    246 ASN CA  . mod.= 5.303 id.= 5.306 dev=  0.003 sig.= 0.000
A    244 ARG O   . - A    248 GLU C   . mod.= 5.957 id.= 5.954 dev= -0.003 sig.= 0.000
A    245 ASN N   . - A    246 ASN C   . mod.= 5.490 id.= 5.492 dev=  0.003 sig.= 0.000
A    245 ASN N   . - A    247 ILE N   . mod.= 5.405 id.= 5.401 dev= -0.004 sig.= 0.000
A    245 ASN N   . - A    247 ILE C   . mod.= 5.944 id.= 5.940 dev= -0.004 sig.= 0.000
A    245 ASN N   . - A    249 ILE CA  . mod.= 5.770 id.= 5.768 dev= -0.002 sig.= 0.000
A    245 ASN CA  . - A    246 ASN CA  . mod.= 3.866 id.= 3.862 dev= -0.004 sig.= 0.000
A    245 ASN CA  . - A    246 ASN O   . mod.= 5.467 id.= 5.464 dev= -0.004 sig.= 0.000
A    245 ASN CA  . - A    247 ILE N   . mod.= 4.552 id.= 4.549 dev= -0.002 sig.= 0.000
A    245 ASN CA  . - A    247 ILE C   . mod.= 5.672 id.= 5.675 dev=  0.003 sig.= 0.000
A    245 ASN CA  . - A    248 GLU N   . mod.= 4.669 id.= 4.675 dev=  0.006 sig.= 0.000
A    245 ASN CA  . - A    248 GLU CA  . mod.= 5.123 id.= 5.130 dev=  0.007 sig.= 0.000
A    245 ASN CA  . - A    248 GLU C   . mod.= 5.608 id.= 5.613 dev=  0.005 sig.= 0.000
A    245 ASN CA  . - A    249 ILE N   . mod.= 5.068 id.= 5.070 dev=  0.003 sig.= 0.000
A    245 ASN C   . - A    246 ASN C   . mod.= 3.173 id.= 3.175 dev=  0.002 sig.= 0.000
A    245 ASN C   . - A    246 ASN O   . mod.= 3.946 id.= 3.941 dev= -0.004 sig.= 0.000
A    245 ASN C   . - A    247 ILE O   . mod.= 5.684 id.= 5.687 dev=  0.003 sig.= 0.000
A    245 ASN C   . - A    248 GLU N   . mod.= 3.818 id.= 3.821 dev=  0.003 sig.= 0.000
A    245 ASN C   . - A    248 GLU CA  . mod.= 4.458 id.= 4.460 dev=  0.002 sig.= 0.000
A    245 ASN C   . - A    249 ILE CA  . mod.= 4.836 id.= 4.833 dev= -0.003 sig.= 0.000
A    245 ASN C   . - A    250 ARG N   . mod.= 5.839 id.= 5.836 dev= -0.003 sig.= 0.000
A    245 ASN O   . - A    246 ASN C   . mod.= 3.074 id.= 3.078 dev=  0.004 sig.= 0.000
A    245 ASN O   . - A    246 ASN O   . mod.= 3.496 id.= 3.494 dev= -0.002 sig.= 0.000
A    245 ASN O   . - A    247 ILE CA  . mod.= 4.302 id.= 4.300 dev= -0.002 sig.= 0.000
A    245 ASN O   . - A    249 ILE C   . mod.= 4.844 id.= 4.847 dev=  0.003 sig.= 0.000
A    246 ASN N   . - A    246 ASN O   . mod.= 3.561 id.= 3.563 dev=  0.002 sig.= 0.000
A    246 ASN N   . - A    247 ILE CA  . mod.= 4.281 id.= 4.285 dev=  0.004 sig.= 0.000
A    246 ASN N   . - A    247 ILE C   . mod.= 4.794 id.= 4.798 dev=  0.004 sig.= 0.000
A    246 ASN N   . - A    247 ILE O   . mod.= 5.856 id.= 5.862 dev=  0.006 sig.= 0.000
A    246 ASN N   . - A    248 GLU N   . mod.= 4.317 id.= 4.320 dev=  0.003 sig.= 0.000
A    246 ASN N   . - A    248 GLU CA  . mod.= 5.261 id.= 5.263 dev=  0.003 sig.= 0.000
A    246 ASN N   . - A    248 GLU C   . mod.= 5.547 id.= 5.551 dev=  0.004 sig.= 0.000
A    246 ASN N   . - A    249 ILE N   . mod.= 4.693 id.= 4.697 dev=  0.004 sig.= 0.000
A    246 ASN N   . - A    249 ILE CA  . mod.= 5.452 id.= 5.455 dev=  0.003 sig.= 0.000
A    246 ASN N   . - A    250 ARG N   . mod.= 5.994 id.= 5.997 dev=  0.003 sig.= 0.000
A    246 ASN CA  . - A    247 ILE CA  . mod.= 3.830 id.= 3.832 dev=  0.002 sig.= 0.000
A    246 ASN C   . - A    248 GLU C   . mod.= 4.668 id.= 4.671 dev=  0.003 sig.= 0.000
A    246 ASN C   . - A    249 ILE N   . mod.= 3.869 id.= 3.871 dev=  0.003 sig.= 0.000
A    246 ASN C   . - A    249 ILE CA  . mod.= 4.580 id.= 4.582 dev=  0.003 sig.= 0.000
A    246 ASN O   . - A    247 ILE CA  . mod.= 2.905 id.= 2.909 dev=  0.004 sig.= 0.000
A    246 ASN O   . - A    248 GLU N   . mod.= 3.560 id.= 3.558 dev= -0.002 sig.= 0.000
A    246 ASN O   . - A    248 GLU CA  . mod.= 4.507 id.= 4.503 dev= -0.003 sig.= 0.000
A    246 ASN O   . - A    249 ILE C   . mod.= 3.851 id.= 3.848 dev= -0.003 sig.= 0.000
A    247 ILE N   . - A    247 ILE O   . mod.= 3.512 id.= 3.517 dev=  0.005 sig.= 0.000
A    247 ILE N   . - A    248 GLU CA  . mod.= 4.182 id.= 4.179 dev= -0.003 sig.= 0.000
A    247 ILE N   . - A    248 GLU C   . mod.= 4.723 id.= 4.726 dev=  0.003 sig.= 0.000
A    247 ILE N   . - A    250 ARG N   . mod.= 4.796 id.= 4.798 dev=  0.002 sig.= 0.000
A    247 ILE N   . - A    250 ARG CA  . mod.= 5.559 id.= 5.561 dev=  0.003 sig.= 0.000
A    247 ILE CA  . - A    248 GLU CA  . mod.= 3.826 id.= 3.818 dev= -0.008 sig.= 0.000
A    247 ILE CA  . - A    248 GLU O   . mod.= 5.462 id.= 5.459 dev= -0.003 sig.= 0.000
A    247 ILE CA  . - A    250 ARG CA  . mod.= 5.224 id.= 5.226 dev=  0.002 sig.= 0.000
A    247 ILE C   . - A    249 ILE CA  . mod.= 4.611 id.= 4.608 dev= -0.002 sig.= 0.000
A    247 ILE O   . - A    248 GLU CA  . mod.= 2.860 id.= 2.858 dev= -0.003 sig.= 0.000
A    247 ILE O   . - A    248 GLU O   . mod.= 3.669 id.= 3.666 dev= -0.003 sig.= 0.000
A    247 ILE O   . - A    249 ILE N   . mod.= 3.577 id.= 3.575 dev= -0.002 sig.= 0.000
A    247 ILE O   . - A    249 ILE CA  . mod.= 4.571 id.= 4.568 dev= -0.004 sig.= 0.000
A    247 ILE O   . - A    249 ILE C   . mod.= 4.313 id.= 4.309 dev= -0.004 sig.= 0.000
A    247 ILE O   . - A    249 ILE O   . mod.= 5.183 id.= 5.181 dev= -0.002 sig.= 0.000
A    247 ILE O   . - A    250 ARG N   . mod.= 3.472 id.= 3.469 dev= -0.003 sig.= 0.000
A    247 ILE O   . - A    250 ARG CA  . mod.= 3.835 id.= 3.832 dev= -0.003 sig.= 0.000
A    247 ILE O   . - A    250 ARG C   . mod.= 3.866 id.= 3.863 dev= -0.004 sig.= 0.000
A    247 ILE O   . - A    250 ARG O   . mod.= 5.063 id.= 5.060 dev= -0.003 sig.= 0.000
A    247 ILE O   . - A    251 GLN N   . mod.= 2.959 id.= 2.955 dev= -0.004 sig.= 0.000
A    247 ILE O   . - A    251 GLN CA  . mod.= 3.739 id.= 3.736 dev= -0.003 sig.= 0.000
A    247 ILE O   . - A    251 GLN C   . mod.= 4.965 id.= 4.961 dev= -0.004 sig.= 0.000
A    247 ILE O   . - A    252 ALA N   . mod.= 5.073 id.= 5.069 dev= -0.004 sig.= 0.000
A    248 GLU N   . - A    249 ILE CA  . mod.= 4.224 id.= 4.222 dev= -0.002 sig.= 0.000
A    248 GLU CA  . - A    249 ILE C   . mod.= 4.459 id.= 4.463 dev=  0.004 sig.= 0.000
A    248 GLU CA  . - A    249 ILE O   . mod.= 5.317 id.= 5.319 dev=  0.002 sig.= 0.000
A    248 GLU CA  . - A    252 ALA N   . mod.= 5.115 id.= 5.118 dev=  0.003 sig.= 0.000
A    248 GLU C   . - A    249 ILE C   . mod.= 3.115 id.= 3.118 dev=  0.003 sig.= 0.000
A    248 GLU C   . - A    250 ARG C   . mod.= 4.648 id.= 4.651 dev=  0.003 sig.= 0.000
A    248 GLU C   . - A    251 GLN N   . mod.= 3.888 id.= 3.891 dev=  0.003 sig.= 0.000
A    248 GLU O   . - A    249 ILE CA  . mod.= 2.838 id.= 2.836 dev= -0.002 sig.= 0.000
A    248 GLU O   . - A    249 ILE C   . mod.= 3.140 id.= 3.144 dev=  0.004 sig.= 0.000
A    249 ILE N   . - A    250 ARG C   . mod.= 4.679 id.= 4.681 dev=  0.002 sig.= 0.000
A    249 ILE CA  . - A    250 ARG C   . mod.= 4.442 id.= 4.445 dev=  0.003 sig.= 0.000
A    249 ILE C   . - A    250 ARG O   . mod.= 3.775 id.= 3.772 dev= -0.003 sig.= 0.000
A    249 ILE C   . - A    251 GLN CA  . mod.= 4.495 id.= 4.498 dev=  0.003 sig.= 0.000
A    249 ILE O   . - A    250 ARG CA  . mod.= 2.848 id.= 2.850 dev=  0.002 sig.= 0.000
A    249 ILE O   . - A    250 ARG C   . mod.= 3.059 id.= 3.063 dev=  0.004 sig.= 0.000
A    249 ILE O   . - A    251 GLN N   . mod.= 3.516 id.= 3.518 dev=  0.002 sig.= 0.000
A    249 ILE O   . - A    251 GLN CA  . mod.= 4.434 id.= 4.437 dev=  0.004 sig.= 0.000
A    249 ILE O   . - A    252 ALA CA  . mod.= 3.843 id.= 3.841 dev= -0.002 sig.= 0.000
A    249 ILE O   . - A    252 ALA C   . mod.= 3.951 id.= 3.948 dev= -0.002 sig.= 0.000
A    249 ILE O   . - A    252 ALA O   . mod.= 5.131 id.= 5.128 dev= -0.003 sig.= 0.000
A    250 ARG N   . - A    251 GLN CA  . mod.= 4.191 id.= 4.195 dev=  0.004 sig.= 0.000
A    250 ARG N   . - A    252 ALA CA  . mod.= 5.390 id.= 5.387 dev= -0.003 sig.= 0.000
A    250 ARG CA  . - A    251 GLN CA  . mod.= 3.810 id.= 3.814 dev=  0.004 sig.= 0.000
A    250 ARG CA  . - A    252 ALA CA  . mod.= 5.583 id.= 5.580 dev= -0.003 sig.= 0.000
A    250 ARG CA  . - A    252 ALA C   . mod.= 5.720 id.= 5.718 dev= -0.002 sig.= 0.000
A    250 ARG CA  . - A    253 ILE N   . mod.= 4.777 id.= 4.775 dev= -0.002 sig.= 0.000
A    250 ARG C   . - A    254 GLU CA  . mod.= 5.063 id.= 5.065 dev=  0.003 sig.= 0.000
A    250 ARG O   . - A    251 GLN CA  . mod.= 2.869 id.= 2.875 dev=  0.006 sig.= 0.000
A    250 ARG O   . - A    252 ALA CA  . mod.= 4.446 id.= 4.444 dev= -0.002 sig.= 0.000
A    250 ARG O   . - A    254 GLU CA  . mod.= 3.880 id.= 3.883 dev=  0.003 sig.= 0.000
A    251 GLN N   . - A    252 ALA CA  . mod.= 4.324 id.= 4.321 dev= -0.003 sig.= 0.000
A    251 GLN N   . - A    252 ALA O   . mod.= 5.982 id.= 5.979 dev= -0.002 sig.= 0.000
A    251 GLN N   . - A    254 GLU CA  . mod.= 5.691 id.= 5.694 dev=  0.003 sig.= 0.000
A    251 GLN CA  . - A    252 ALA CA  . mod.= 3.872 id.= 3.867 dev= -0.005 sig.= 0.000
A    251 GLN CA  . - A    252 ALA O   . mod.= 5.489 id.= 5.487 dev= -0.003 sig.= 0.000
A    251 GLN CA  . - A    253 ILE C   . mod.= 5.679 id.= 5.682 dev=  0.002 sig.= 0.000
A    251 GLN CA  . - A    254 GLU N   . mod.= 4.749 id.= 4.752 dev=  0.003 sig.= 0.000
A    251 GLN CA  . - A    254 GLU CA  . mod.= 5.311 id.= 5.317 dev=  0.006 sig.= 0.000
A    251 GLN CA  . - A    254 GLU C   . mod.= 5.683 id.= 5.686 dev=  0.003 sig.= 0.000
A    251 GLN CA  . - A    255 GLN CA  . mod.= 5.735 id.= 5.733 dev= -0.002 sig.= 0.000
A    251 GLN C   . - A    254 GLU CA  . mod.= 4.786 id.= 4.790 dev=  0.004 sig.= 0.000
A    251 GLN C   . - A    254 GLU C   . mod.= 4.972 id.= 4.975 dev=  0.003 sig.= 0.000
A    251 GLN O   . - A    253 ILE CA  . mod.= 4.462 id.= 4.460 dev= -0.002 sig.= 0.000
A    251 GLN O   . - A    254 GLU O   . mod.= 5.078 id.= 5.082 dev=  0.003 sig.= 0.000
A    251 GLN O   . - A    255 GLN CA  . mod.= 3.611 id.= 3.609 dev= -0.002 sig.= 0.000
A    251 GLN O   . - A    255 GLN O   . mod.= 5.640 id.= 5.636 dev= -0.004 sig.= 0.000
A    252 ALA N   . - A    252 ALA O   . mod.= 3.577 id.= 3.574 dev= -0.002 sig.= 0.000
A    252 ALA N   . - A    254 GLU CA  . mod.= 5.493 id.= 5.495 dev=  0.002 sig.= 0.000
A    252 ALA N   . - A    254 GLU C   . mod.= 5.768 id.= 5.771 dev=  0.003 sig.= 0.000
A    252 ALA N   . - A    255 GLN CA  . mod.= 5.670 id.= 5.667 dev= -0.002 sig.= 0.000
A    252 ALA CA  . - A    255 GLN CA  . mod.= 5.537 id.= 5.533 dev= -0.004 sig.= 0.000
A    252 ALA CA  . - A    277 ALA CA  . mod.= 4.826 id.= 4.822 dev= -0.004 sig.= 0.000
A    252 ALA CA  . - A    277 ALA O   . mod.= 4.679 id.= 4.674 dev= -0.005 sig.= 0.000
A    252 ALA CA  . - A    280 TYR CA  . mod.= 6.001 id.= 5.984 dev= -0.017 sig.= 0.000
A    252 ALA C   . - A    253 ILE O   . mod.= 3.908 id.= 3.906 dev= -0.003 sig.= 0.000
A    252 ALA C   . - A    254 GLU C   . mod.= 4.909 id.= 4.912 dev=  0.003 sig.= 0.000
A    252 ALA C   . - A    255 GLN CA  . mod.= 5.138 id.= 5.136 dev= -0.002 sig.= 0.000
A    252 ALA C   . - A    255 GLN C   . mod.= 5.275 id.= 5.277 dev=  0.002 sig.= 0.000
A    252 ALA C   . - A    256 THR CA  . mod.= 5.180 id.= 5.177 dev= -0.003 sig.= 0.000
A    252 ALA C   . - A    256 THR C   . mod.= 5.888 id.= 5.884 dev= -0.003 sig.= 0.000
A    252 ALA C   . - A    257 ALA N   . mod.= 6.003 id.= 5.999 dev= -0.004 sig.= 0.000
A    252 ALA C   . - A    277 ALA N   . mod.= 5.456 id.= 5.454 dev= -0.002 sig.= 0.000
A    252 ALA C   . - A    277 ALA CA  . mod.= 4.332 id.= 4.329 dev= -0.002 sig.= 0.000
A    252 ALA C   . - A    277 ALA O   . mod.= 4.924 id.= 4.921 dev= -0.003 sig.= 0.000
A    252 ALA O   . - A    254 GLU C   . mod.= 4.680 id.= 4.683 dev=  0.003 sig.= 0.000
A    252 ALA O   . - A    254 GLU O   . mod.= 5.453 id.= 5.456 dev=  0.002 sig.= 0.000
A    252 ALA O   . - A    255 GLN CA  . mod.= 4.713 id.= 4.711 dev= -0.003 sig.= 0.000
A    252 ALA O   . - A    255 GLN C   . mod.= 4.520 id.= 4.524 dev=  0.003 sig.= 0.000
A    252 ALA O   . - A    256 THR CA  . mod.= 4.049 id.= 4.047 dev= -0.002 sig.= 0.000
A    252 ALA O   . - A    256 THR C   . mod.= 4.760 id.= 4.757 dev= -0.003 sig.= 0.000
A    252 ALA O   . - A    256 THR O   . mod.= 5.408 id.= 5.404 dev= -0.004 sig.= 0.000
A    252 ALA O   . - A    257 ALA N   . mod.= 5.024 id.= 5.021 dev= -0.003 sig.= 0.000
A    252 ALA O   . - A    276 ASN C   . mod.= 5.212 id.= 5.209 dev= -0.003 sig.= 0.000
A    252 ALA O   . - A    276 ASN O   . mod.= 5.217 id.= 5.213 dev= -0.004 sig.= 0.000
A    252 ALA O   . - A    278 VAL N   . mod.= 5.950 id.= 5.956 dev=  0.005 sig.= 0.000
A    253 ILE N   . - A    256 THR CA  . mod.= 5.964 id.= 5.962 dev= -0.002 sig.= 0.000
A    253 ILE N   . - A    277 ALA O   . mod.= 5.869 id.= 5.866 dev= -0.003 sig.= 0.000
A    253 ILE CA  . - A    254 GLU CA  . mod.= 3.815 id.= 3.811 dev= -0.004 sig.= 0.000
A    253 ILE CA  . - A    254 GLU O   . mod.= 5.426 id.= 5.424 dev= -0.002 sig.= 0.000
A    253 ILE CA  . - A    255 GLN N   . mod.= 4.743 id.= 4.740 dev= -0.003 sig.= 0.000
A    253 ILE CA  . - A    255 GLN CA  . mod.= 5.929 id.= 5.926 dev= -0.002 sig.= 0.000
A    253 ILE CA  . - A    256 THR CA  . mod.= 5.845 id.= 5.841 dev= -0.003 sig.= 0.000
A    253 ILE CA  . - A    257 ALA N   . mod.= 5.640 id.= 5.638 dev= -0.002 sig.= 0.000
A    253 ILE CA  . - A    277 ALA CA  . mod.= 5.490 id.= 5.492 dev=  0.003 sig.= 0.000
A    253 ILE O   . - A    254 GLU C   . mod.= 3.266 id.= 3.269 dev=  0.003 sig.= 0.000
A    253 ILE O   . - A    256 THR CA  . mod.= 4.534 id.= 4.531 dev= -0.003 sig.= 0.000
A    253 ILE O   . - A    257 ALA CA  . mod.= 4.005 id.= 4.003 dev= -0.003 sig.= 0.000
A    253 ILE O   . - A    272 ILE N   . mod.= 5.877 id.= 5.869 dev= -0.007 sig.= 0.000
A    253 ILE O   . - A    272 ILE C   . mod.= 5.947 id.= 5.952 dev=  0.005 sig.= 0.000
A    253 ILE O   . - A    273 ASN N   . mod.= 5.493 id.= 5.491 dev= -0.003 sig.= 0.000
A    253 ILE O   . - A    273 ASN O   . mod.= 5.831 id.= 5.838 dev=  0.006 sig.= 0.000
A    254 GLU CA  . - A    255 GLN CA  . mod.= 3.827 id.= 3.832 dev=  0.005 sig.= 0.000
A    254 GLU CA  . - A    255 GLN O   . mod.= 5.642 id.= 5.640 dev= -0.002 sig.= 0.000
A    254 GLU CA  . - A    269 TYR CA  . mod.= 5.628 id.= 5.642 dev=  0.014 sig.= 0.000
A    254 GLU C   . - A    256 THR N   . mod.= 3.292 id.= 3.295 dev=  0.002 sig.= 0.000
A    254 GLU C   . - A    256 THR CA  . mod.= 4.566 id.= 4.569 dev=  0.003 sig.= 0.000
A    254 GLU C   . - A    256 THR C   . mod.= 4.844 id.= 4.846 dev=  0.003 sig.= 0.000
A    254 GLU C   . - A    269 TYR CA  . mod.= 5.421 id.= 5.432 dev=  0.010 sig.= 0.000
A    254 GLU C   . - A    269 TYR C   . mod.= 5.786 id.= 5.791 dev=  0.005 sig.= 0.000
A    254 GLU C   . - A    269 TYR O   . mod.= 5.693 id.= 5.695 dev=  0.002 sig.= 0.000
A    254 GLU O   . - A    255 GLN CA  . mod.= 2.837 id.= 2.848 dev=  0.010 sig.= 0.000
A    254 GLU O   . - A    256 THR N   . mod.= 3.376 id.= 3.378 dev=  0.003 sig.= 0.000
A    254 GLU O   . - A    256 THR CA  . mod.= 4.423 id.= 4.426 dev=  0.003 sig.= 0.000
A    254 GLU O   . - A    269 TYR N   . mod.= 5.738 id.= 5.747 dev=  0.010 sig.= 0.000
A    254 GLU O   . - A    269 TYR CA  . mod.= 4.495 id.= 4.501 dev=  0.007 sig.= 0.000
A    254 GLU O   . - A    269 TYR C   . mod.= 4.705 id.= 4.708 dev=  0.002 sig.= 0.000
A    254 GLU O   . - A    270 GLY N   . mod.= 5.551 id.= 5.554 dev=  0.002 sig.= 0.000
A    255 GLN N   . - A    256 THR CA  . mod.= 4.255 id.= 4.257 dev=  0.002 sig.= 0.000
A    255 GLN CA  . - A    256 THR C   . mod.= 4.728 id.= 4.724 dev= -0.004 sig.= 0.000
A    255 GLN CA  . - A    256 THR O   . mod.= 5.905 id.= 5.901 dev= -0.004 sig.= 0.000
A    255 GLN O   . - A    256 THR CA  . mod.= 2.755 id.= 2.761 dev=  0.006 sig.= 0.000
A    256 THR N   . - A    256 THR O   . mod.= 3.616 id.= 3.614 dev= -0.003 sig.= 0.000
A    256 THR N   . - A    257 ALA N   . mod.= 2.753 id.= 2.750 dev= -0.003 sig.= 0.000
A    256 THR N   . - A    257 ALA CA  . mod.= 4.204 id.= 4.202 dev= -0.003 sig.= 0.000
A    256 THR N   . - A    277 ALA CA  . mod.= 5.971 id.= 5.974 dev=  0.003 sig.= 0.000
A    256 THR CA  . - A    257 ALA CA  . mod.= 3.801 id.= 3.796 dev= -0.005 sig.= 0.000
A    256 THR CA  . - A    257 ALA C   . mod.= 4.383 id.= 4.381 dev= -0.002 sig.= 0.000
A    256 THR CA  . - A    258 ASP N   . mod.= 5.340 id.= 5.334 dev= -0.007 sig.= 0.000
A    256 THR CA  . - A    273 ASN O   . mod.= 5.521 id.= 5.517 dev= -0.004 sig.= 0.000
A    256 THR CA  . - A    277 ALA N   . mod.= 5.326 id.= 5.329 dev=  0.002 sig.= 0.000
A    256 THR C   . - A    258 ASP CA  . mod.= 5.023 id.= 5.020 dev= -0.003 sig.= 0.000
A    256 THR C   . - A    273 ASN C   . mod.= 5.647 id.= 5.649 dev=  0.002 sig.= 0.000
A    256 THR C   . - A    276 ASN CA  . mod.= 5.928 id.= 5.930 dev=  0.002 sig.= 0.000
A    256 THR C   . - A    277 ALA N   . mod.= 5.624 id.= 5.628 dev=  0.004 sig.= 0.000
A    256 THR O   . - A    257 ALA C   . mod.= 3.122 id.= 3.125 dev=  0.003 sig.= 0.000
A    256 THR O   . - A    257 ALA O   . mod.= 3.527 id.= 3.530 dev=  0.002 sig.= 0.000
A    256 THR O   . - A    258 ASP CA  . mod.= 4.608 id.= 4.605 dev= -0.003 sig.= 0.000
A    256 THR O   . - A    277 ALA N   . mod.= 5.249 id.= 5.251 dev=  0.002 sig.= 0.000
A    257 ALA N   . - A    258 ASP N   . mod.= 3.526 id.= 3.524 dev= -0.002 sig.= 0.000
A    257 ALA N   . - A    258 ASP CA  . mod.= 4.777 id.= 4.775 dev= -0.002 sig.= 0.000
A    257 ALA N   . - A    269 TYR C   . mod.= 5.724 id.= 5.727 dev=  0.004 sig.= 0.000
A    257 ALA N   . - A    272 ILE N   . mod.= 5.893 id.= 5.889 dev= -0.004 sig.= 0.000
A    257 ALA N   . - A    272 ILE C   . mod.= 5.699 id.= 5.701 dev=  0.002 sig.= 0.000
A    257 ALA N   . - A    273 ASN O   . mod.= 5.585 id.= 5.587 dev=  0.002 sig.= 0.000
A    257 ALA CA  . - A    269 TYR CA  . mod.= 5.997 id.= 6.000 dev=  0.003 sig.= 0.000
A    257 ALA CA  . - A    269 TYR C   . mod.= 5.060 id.= 5.064 dev=  0.003 sig.= 0.000
A    257 ALA CA  . - A    270 GLY N   . mod.= 5.231 id.= 5.234 dev=  0.003 sig.= 0.000
A    257 ALA CA  . - A    271 ARG N   . mod.= 4.635 id.= 4.633 dev= -0.002 sig.= 0.000
A    257 ALA CA  . - A    271 ARG CA  . mod.= 5.140 id.= 5.144 dev=  0.004 sig.= 0.000
A    257 ALA CA  . - A    272 ILE N   . mod.= 4.696 id.= 4.691 dev= -0.004 sig.= 0.000
A    257 ALA C   . - A    258 ASP C   . mod.= 3.014 id.= 3.012 dev= -0.002 sig.= 0.000
A    257 ALA C   . - A    258 ASP O   . mod.= 3.465 id.= 3.462 dev= -0.003 sig.= 0.000
A    257 ALA C   . - A    259 LYS C   . mod.= 5.981 id.= 5.979 dev= -0.002 sig.= 0.000
A    257 ALA C   . - A    269 TYR O   . mod.= 4.228 id.= 4.225 dev= -0.003 sig.= 0.000
A    257 ALA C   . - A    271 ARG N   . mod.= 4.508 id.= 4.505 dev= -0.002 sig.= 0.000
A    257 ALA C   . - A    271 ARG CA  . mod.= 5.232 id.= 5.234 dev=  0.002 sig.= 0.000
A    257 ALA C   . - A    273 ASN N   . mod.= 5.230 id.= 5.233 dev=  0.003 sig.= 0.000
A    257 ALA O   . - A    259 LYS CA  . mod.= 4.384 id.= 4.387 dev=  0.004 sig.= 0.000
A    257 ALA O   . - A    269 TYR CA  . mod.= 5.992 id.= 5.990 dev= -0.002 sig.= 0.000
A    258 ASP N   . - A    259 LYS C   . mod.= 5.570 id.= 5.567 dev= -0.003 sig.= 0.000
A    258 ASP N   . - A    271 ARG CA  . mod.= 4.637 id.= 4.641 dev=  0.004 sig.= 0.000
A    258 ASP N   . - A    272 ILE O   . mod.= 5.422 id.= 5.419 dev= -0.003 sig.= 0.000
A    258 ASP N   . - A    273 ASN CA  . mod.= 5.367 id.= 5.364 dev= -0.003 sig.= 0.000
A    258 ASP CA  . - A    259 LYS CA  . mod.= 3.802 id.= 3.805 dev=  0.004 sig.= 0.000
A    258 ASP CA  . - A    259 LYS O   . mod.= 5.470 id.= 5.467 dev= -0.002 sig.= 0.000
A    258 ASP CA  . - A    271 ARG N   . mod.= 4.569 id.= 4.571 dev=  0.002 sig.= 0.000
A    258 ASP CA  . - A    271 ARG O   . mod.= 3.677 id.= 3.675 dev= -0.002 sig.= 0.000
A    258 ASP CA  . - A    273 ASN N   . mod.= 5.979 id.= 5.977 dev= -0.002 sig.= 0.000
A    258 ASP C   . - A    259 LYS O   . mod.= 4.254 id.= 4.252 dev= -0.003 sig.= 0.000
A    258 ASP C   . - A    271 ARG O   . mod.= 4.085 id.= 4.083 dev= -0.002 sig.= 0.000
A    258 ASP O   . - A    259 LYS O   . mod.= 4.498 id.= 4.495 dev= -0.003 sig.= 0.000
A    258 ASP O   . - A    260 ILE CA  . mod.= 4.070 id.= 4.067 dev= -0.004 sig.= 0.000
A    258 ASP O   . - A    270 GLY N   . mod.= 4.571 id.= 4.568 dev= -0.002 sig.= 0.000
A    258 ASP O   . - A    270 GLY CA  . mod.= 3.297 id.= 3.294 dev= -0.003 sig.= 0.000
A    258 ASP O   . - A    270 GLY O   . mod.= 4.807 id.= 4.805 dev= -0.002 sig.= 0.000
A    259 LYS N   . - A    260 ILE CA  . mod.= 4.410 id.= 4.416 dev=  0.005 sig.= 0.000
A    259 LYS N   . - A    269 TYR C   . mod.= 5.484 id.= 5.482 dev= -0.002 sig.= 0.000
A    259 LYS CA  . - A    260 ILE CA  . mod.= 3.820 id.= 3.825 dev=  0.005 sig.= 0.000
A    259 LYS CA  . - A    260 ILE O   . mod.= 4.223 id.= 4.219 dev= -0.004 sig.= 0.000
A    259 LYS CA  . - A    263 THR CA  . mod.= 5.621 id.= 5.613 dev= -0.008 sig.= 0.000
A    259 LYS CA  . - A    269 TYR O   . mod.= 4.281 id.= 4.284 dev=  0.003 sig.= 0.000
A    259 LYS C   . - A    261 SER N   . mod.= 4.339 id.= 4.342 dev=  0.003 sig.= 0.000
A    259 LYS C   . - A    263 THR N   . mod.= 5.581 id.= 5.578 dev= -0.003 sig.= 0.000
A    259 LYS C   . - A    263 THR CA  . mod.= 5.500 id.= 5.498 dev= -0.002 sig.= 0.000
A    259 LYS C   . - A    269 TYR O   . mod.= 5.552 id.= 5.558 dev=  0.006 sig.= 0.000
A    259 LYS O   . - A    260 ILE CA  . mod.= 2.831 id.= 2.840 dev=  0.009 sig.= 0.000
A    259 LYS O   . - A    260 ILE C   . mod.= 3.263 id.= 3.260 dev= -0.003 sig.= 0.000
A    259 LYS O   . - A    260 ILE O   . mod.= 3.302 id.= 3.299 dev= -0.003 sig.= 0.000
A    259 LYS O   . - A    261 SER CA  . mod.= 5.222 id.= 5.219 dev= -0.003 sig.= 0.000
A    259 LYS O   . - A    263 THR N   . mod.= 5.741 id.= 5.738 dev= -0.003 sig.= 0.000
A    260 ILE N   . - A    261 SER CA  . mod.= 4.937 id.= 4.939 dev=  0.002 sig.= 0.000
A    260 ILE N   . - A    261 SER C   . mod.= 5.390 id.= 5.394 dev=  0.004 sig.= 0.000
A    260 ILE N   . - A    261 SER O   . mod.= 5.444 id.= 5.442 dev= -0.002 sig.= 0.000
A    260 ILE N   . - A    262 GLY N   . mod.= 5.905 id.= 5.903 dev= -0.003 sig.= 0.000
A    260 ILE N   . - A    263 THR N   . mod.= 5.328 id.= 5.324 dev= -0.005 sig.= 0.000
A    260 ILE N   . - A    263 THR CA  . mod.= 5.470 id.= 5.467 dev= -0.004 sig.= 0.000
A    260 ILE N   . - A    269 TYR O   . mod.= 5.799 id.= 5.805 dev=  0.006 sig.= 0.000
A    260 ILE N   . - A    271 ARG N   . mod.= 4.987 id.= 4.990 dev=  0.003 sig.= 0.000
A    260 ILE CA  . - A    261 SER CA  . mod.= 3.833 id.= 3.838 dev=  0.005 sig.= 0.000
A    260 ILE CA  . - A    261 SER C   . mod.= 4.471 id.= 4.474 dev=  0.002 sig.= 0.000
A    260 ILE CA  . - A    261 SER O   . mod.= 4.508 id.= 4.502 dev= -0.007 sig.= 0.000
A    260 ILE CA  . - A    270 GLY CA  . mod.= 5.878 id.= 5.875 dev= -0.003 sig.= 0.000
A    260 ILE CA  . - A    271 ARG N   . mod.= 5.775 id.= 5.768 dev= -0.007 sig.= 0.000
A    260 ILE C   . - A    261 SER C   . mod.= 3.043 id.= 3.047 dev=  0.004 sig.= 0.000
A    260 ILE C   . - A    262 GLY CA  . mod.= 4.771 id.= 4.769 dev= -0.003 sig.= 0.000
A    260 ILE O   . - A    261 SER C   . mod.= 3.025 id.= 3.029 dev=  0.004 sig.= 0.000
A    260 ILE O   . - A    262 GLY CA  . mod.= 4.126 id.= 4.123 dev= -0.002 sig.= 0.000
A    260 ILE O   . - A    263 THR N   . mod.= 3.026 id.= 3.023 dev= -0.002 sig.= 0.000
A    260 ILE O   . - A    263 THR C   . mod.= 4.923 id.= 4.926 dev=  0.002 sig.= 0.000
A    260 ILE O   . - A    270 GLY CA  . mod.= 5.661 id.= 5.665 dev=  0.004 sig.= 0.000
A    261 SER N   . - A    261 SER O   . mod.= 2.864 id.= 2.867 dev=  0.003 sig.= 0.000
A    261 SER N   . - A    262 GLY CA  . mod.= 4.687 id.= 4.685 dev= -0.003 sig.= 0.000
A    261 SER N   . - A    263 THR CA  . mod.= 5.746 id.= 5.749 dev=  0.003 sig.= 0.000
A    261 SER CA  . - A    262 GLY CA  . mod.= 3.790 id.= 3.786 dev= -0.004 sig.= 0.000
A    261 SER CA  . - A    262 GLY C   . mod.= 4.677 id.= 4.673 dev= -0.004 sig.= 0.000
A    261 SER CA  . - A    262 GLY O   . mod.= 5.876 id.= 5.872 dev= -0.004 sig.= 0.000
A    261 SER CA  . - A    263 THR N   . mod.= 4.425 id.= 4.423 dev= -0.003 sig.= 0.000
A    261 SER C   . - A    262 GLY O   . mod.= 4.635 id.= 4.633 dev= -0.003 sig.= 0.000
A    261 SER C   . - A    263 THR CA  . mod.= 4.975 id.= 4.978 dev=  0.003 sig.= 0.000
A    261 SER O   . - A    262 GLY O   . mod.= 4.844 id.= 4.841 dev= -0.003 sig.= 0.000
A    262 GLY N   . - A    264 GLY N   . mod.= 5.972 id.= 5.969 dev= -0.002 sig.= 0.000
A    262 GLY CA  . - A    263 THR CA  . mod.= 3.869 id.= 3.872 dev=  0.004 sig.= 0.000
A    262 GLY CA  . - A    263 THR C   . mod.= 4.512 id.= 4.514 dev=  0.002 sig.= 0.000
A    262 GLY CA  . - A    263 THR O   . mod.= 4.619 id.= 4.622 dev=  0.004 sig.= 0.000
A    262 GLY CA  . - A    265 THR N   . mod.= 5.169 id.= 5.172 dev=  0.003 sig.= 0.000
A    262 GLY CA  . - A    266 TYR CA  . mod.= 5.062 id.= 5.059 dev= -0.004 sig.= 0.000
A    262 GLY CA  . - A    266 TYR C   . mod.= 5.722 id.= 5.719 dev= -0.002 sig.= 0.000
A    262 GLY CA  . - A    267 PHE N   . mod.= 5.505 id.= 5.502 dev= -0.003 sig.= 0.000
A    262 GLY C   . - A    265 THR CA  . mod.= 4.734 id.= 4.731 dev= -0.003 sig.= 0.000
A    262 GLY C   . - A    265 THR C   . mod.= 4.855 id.= 4.853 dev= -0.002 sig.= 0.000
A    262 GLY O   . - A    263 THR CA  . mod.= 2.870 id.= 2.873 dev=  0.002 sig.= 0.000
A    262 GLY O   . - A    264 GLY O   . mod.= 5.237 id.= 5.233 dev= -0.004 sig.= 0.000
A    262 GLY O   . - A    265 THR CA  . mod.= 3.632 id.= 3.630 dev= -0.002 sig.= 0.000
A    262 GLY O   . - A    265 THR O   . mod.= 4.823 id.= 4.819 dev= -0.004 sig.= 0.000
A    263 THR N   . - A    266 TYR CA  . mod.= 5.753 id.= 5.751 dev= -0.002 sig.= 0.000
A    263 THR CA  . - A    267 PHE O   . mod.= 3.579 id.= 3.577 dev= -0.002 sig.= 0.000
A    263 THR CA  . - A    268 LYS C   . mod.= 5.219 id.= 5.217 dev= -0.003 sig.= 0.000
A    263 THR CA  . - A    269 TYR C   . mod.= 5.594 id.= 5.600 dev=  0.006 sig.= 0.000
A    263 THR CA  . - A    269 TYR O   . mod.= 5.785 id.= 5.793 dev=  0.008 sig.= 0.000
A    263 THR CA  . - A    270 GLY N   . mod.= 5.421 id.= 5.425 dev=  0.004 sig.= 0.000
A    263 THR C   . - A    264 GLY O   . mod.= 4.508 id.= 4.504 dev= -0.004 sig.= 0.000
A    263 THR C   . - A    265 THR CA  . mod.= 4.730 id.= 4.727 dev= -0.003 sig.= 0.000
A    263 THR C   . - A    268 LYS O   . mod.= 4.681 id.= 4.684 dev=  0.002 sig.= 0.000
A    263 THR O   . - A    264 GLY CA  . mod.= 2.718 id.= 2.716 dev= -0.003 sig.= 0.000
A    263 THR O   . - A    264 GLY O   . mod.= 4.589 id.= 4.586 dev= -0.002 sig.= 0.000
A    263 THR O   . - A    267 PHE O   . mod.= 4.826 id.= 4.823 dev= -0.003 sig.= 0.000
A    263 THR O   . - A    268 LYS O   . mod.= 5.655 id.= 5.653 dev= -0.002 sig.= 0.000
A    264 GLY N   . - A    264 GLY O   . mod.= 3.585 id.= 3.583 dev= -0.002 sig.= 0.000
A    264 GLY N   . - A    265 THR CA  . mod.= 4.131 id.= 4.129 dev= -0.002 sig.= 0.000
A    264 GLY N   . - A    268 LYS O   . mod.= 3.983 id.= 3.986 dev=  0.003 sig.= 0.000
A    264 GLY N   . - A    269 TYR N   . mod.= 5.601 id.= 5.606 dev=  0.005 sig.= 0.000
A    264 GLY CA  . - A    265 THR C   . mod.= 4.849 id.= 4.852 dev=  0.002 sig.= 0.000
A    264 GLY CA  . - A    267 PHE CA  . mod.= 5.985 id.= 5.988 dev=  0.002 sig.= 0.000
A    264 GLY CA  . - A    268 LYS CA  . mod.= 5.103 id.= 5.106 dev=  0.003 sig.= 0.000
A    264 GLY CA  . - A    268 LYS O   . mod.= 4.568 id.= 4.571 dev=  0.003 sig.= 0.000
A    264 GLY C   . - A    266 TYR CA  . mod.= 5.584 id.= 5.586 dev=  0.002 sig.= 0.000
A    264 GLY C   . - A    266 TYR C   . mod.= 5.894 id.= 5.892 dev= -0.002 sig.= 0.000
A    264 GLY C   . - A    268 LYS CA  . mod.= 5.667 id.= 5.669 dev=  0.002 sig.= 0.000
A    264 GLY C   . - A    268 LYS O   . mod.= 5.697 id.= 5.701 dev=  0.004 sig.= 0.000
A    264 GLY O   . - A    265 THR CA  . mod.= 2.769 id.= 2.765 dev= -0.003 sig.= 0.000
A    264 GLY O   . - A    266 TYR N   . mod.= 4.927 id.= 4.924 dev= -0.002 sig.= 0.000
A    265 THR N   . - A    266 TYR CA  . mod.= 4.360 id.= 4.363 dev=  0.004 sig.= 0.000
A    265 THR CA  . - A    266 TYR CA  . mod.= 3.810 id.= 3.815 dev=  0.005 sig.= 0.000
A    265 THR C   . - A    266 TYR C   . mod.= 3.307 id.= 3.305 dev= -0.002 sig.= 0.000
A    265 THR C   . - A    267 PHE C   . mod.= 4.981 id.= 4.983 dev=  0.002 sig.= 0.000
A    265 THR C   . - A    267 PHE O   . mod.= 4.522 id.= 4.524 dev=  0.002 sig.= 0.000
A    265 THR O   . - A    266 TYR C   . mod.= 3.476 id.= 3.473 dev= -0.004 sig.= 0.000
A    266 TYR N   . - A    267 PHE CA  . mod.= 4.186 id.= 4.188 dev=  0.002 sig.= 0.000
A    266 TYR N   . - A    267 PHE C   . mod.= 4.646 id.= 4.649 dev=  0.002 sig.= 0.000
A    266 TYR N   . - A    267 PHE O   . mod.= 4.216 id.= 4.219 dev=  0.002 sig.= 0.000
A    266 TYR CA  . - A    267 PHE CA  . mod.= 3.862 id.= 3.858 dev= -0.005 sig.= 0.000
A    266 TYR CA  . - A    267 PHE C   . mod.= 4.772 id.= 4.769 dev= -0.003 sig.= 0.000
A    266 TYR CA  . - A    267 PHE O   . mod.= 4.688 id.= 4.686 dev= -0.002 sig.= 0.000
A    266 TYR CA  . - A    268 LYS N   . mod.= 5.950 id.= 5.948 dev= -0.003 sig.= 0.000
A    267 PHE CA  . - A    269 TYR N   . mod.= 5.020 id.= 5.023 dev=  0.003 sig.= 0.000
A    267 PHE C   . - A    269 TYR N   . mod.= 3.842 id.= 3.844 dev=  0.002 sig.= 0.000
A    267 PHE C   . - A    269 TYR CA  . mod.= 5.118 id.= 5.122 dev=  0.004 sig.= 0.000
A    267 PHE C   . - A    269 TYR C   . mod.= 5.462 id.= 5.464 dev=  0.002 sig.= 0.000
A    267 PHE C   . - A    270 GLY CA  . mod.= 5.870 id.= 5.868 dev= -0.002 sig.= 0.000
A    267 PHE O   . - A    269 TYR N   . mod.= 4.108 id.= 4.111 dev=  0.003 sig.= 0.000
A    267 PHE O   . - A    269 TYR CA  . mod.= 5.210 id.= 5.216 dev=  0.005 sig.= 0.000
A    267 PHE O   . - A    269 TYR C   . mod.= 5.429 id.= 5.432 dev=  0.003 sig.= 0.000
A    268 LYS N   . - A    269 TYR CA  . mod.= 4.487 id.= 4.491 dev=  0.005 sig.= 0.000
A    268 LYS CA  . - A    269 TYR CA  . mod.= 3.797 id.= 3.802 dev=  0.005 sig.= 0.000
A    268 LYS CA  . - A    269 TYR O   . mod.= 5.725 id.= 5.727 dev=  0.002 sig.= 0.000
A    268 LYS C   . - A    269 TYR C   . mod.= 3.390 id.= 3.393 dev=  0.002 sig.= 0.000
A    268 LYS C   . - A    269 TYR O   . mod.= 4.270 id.= 4.273 dev=  0.003 sig.= 0.000
A    268 LYS O   . - A    269 TYR CA  . mod.= 2.749 id.= 2.755 dev=  0.005 sig.= 0.000
A    268 LYS O   . - A    269 TYR O   . mod.= 4.118 id.= 4.122 dev=  0.003 sig.= 0.000
A    269 TYR N   . - A    270 GLY O   . mod.= 5.110 id.= 5.114 dev=  0.004 sig.= 0.000
A    269 TYR CA  . - A    271 ARG N   . mod.= 5.950 id.= 5.946 dev= -0.004 sig.= 0.000
A    269 TYR C   . - A    270 GLY C   . mod.= 3.621 id.= 3.623 dev=  0.002 sig.= 0.000
A    269 TYR C   . - A    270 GLY O   . mod.= 4.026 id.= 4.029 dev=  0.002 sig.= 0.000
A    269 TYR C   . - A    271 ARG CA  . mod.= 5.912 id.= 5.915 dev=  0.004 sig.= 0.000
A    269 TYR O   . - A    270 GLY CA  . mod.= 2.736 id.= 2.739 dev=  0.003 sig.= 0.000
A    270 GLY N   . - A    271 ARG N   . mod.= 3.658 id.= 3.656 dev= -0.002 sig.= 0.000
A    270 GLY O   . - A    272 ILE CA  . mod.= 5.238 id.= 5.241 dev=  0.003 sig.= 0.000
A    271 ARG N   . - A    272 ILE O   . mod.= 5.633 id.= 5.630 dev= -0.003 sig.= 0.000
A    271 ARG CA  . - A    272 ILE CA  . mod.= 3.833 id.= 3.837 dev=  0.004 sig.= 0.000
A    271 ARG CA  . - A    272 ILE C   . mod.= 4.576 id.= 4.580 dev=  0.004 sig.= 0.000
A    271 ARG CA  . - A    273 ASN N   . mod.= 5.524 id.= 5.527 dev=  0.003 sig.= 0.000
A    272 ILE N   . - A    272 ILE O   . mod.= 2.895 id.= 2.901 dev=  0.006 sig.= 0.000
A    272 ILE N   . - A    273 ASN N   . mod.= 3.600 id.= 3.597 dev= -0.003 sig.= 0.000
A    272 ILE O   . - A    273 ASN C   . mod.= 3.879 id.= 3.882 dev=  0.003 sig.= 0.000
A    273 ASN N   . - A    273 ASN O   . mod.= 2.860 id.= 2.858 dev= -0.002 sig.= 0.000
A    273 ASN N   . - A    275 TYR N   . mod.= 5.499 id.= 5.502 dev=  0.003 sig.= 0.000
A    273 ASN N   . - A    277 ALA N   . mod.= 5.881 id.= 5.878 dev= -0.003 sig.= 0.000
A    273 ASN C   . - A    277 ALA N   . mod.= 4.268 id.= 4.266 dev= -0.003 sig.= 0.000
A    273 ASN C   . - A    277 ALA CA  . mod.= 5.045 id.= 5.043 dev= -0.003 sig.= 0.000
A    273 ASN O   . - A    274 SER CA  . mod.= 2.832 id.= 2.836 dev=  0.004 sig.= 0.000
A    273 ASN O   . - A    276 ASN N   . mod.= 3.539 id.= 3.536 dev= -0.002 sig.= 0.000
A    274 SER N   . - A    275 TYR C   . mod.= 4.802 id.= 4.800 dev= -0.002 sig.= 0.000
A    274 SER N   . - A    276 ASN N   . mod.= 4.538 id.= 4.535 dev= -0.003 sig.= 0.000
A    274 SER N   . - A    277 ALA N   . mod.= 4.869 id.= 4.867 dev= -0.002 sig.= 0.000
A    274 SER CA  . - A    275 TYR CA  . mod.= 3.794 id.= 3.791 dev= -0.002 sig.= 0.000
A    274 SER CA  . - A    275 TYR C   . mod.= 4.464 id.= 4.462 dev= -0.002 sig.= 0.000
A    274 SER CA  . - A    277 ALA CA  . mod.= 5.059 id.= 5.064 dev=  0.004 sig.= 0.000
A    274 SER C   . - A    278 VAL CA  . mod.= 5.197 id.= 5.199 dev=  0.002 sig.= 0.000
A    274 SER O   . - A    275 TYR CA  . mod.= 2.819 id.= 2.822 dev=  0.003 sig.= 0.000
A    274 SER O   . - A    277 ALA CA  . mod.= 3.882 id.= 3.884 dev=  0.003 sig.= 0.000
A    274 SER O   . - A    278 VAL CA  . mod.= 4.005 id.= 4.008 dev=  0.002 sig.= 0.000
A    275 TYR N   . - A    276 ASN N   . mod.= 2.881 id.= 2.878 dev= -0.002 sig.= 0.000
A    275 TYR N   . - A    277 ALA CA  . mod.= 5.242 id.= 5.245 dev=  0.003 sig.= 0.000
A    275 TYR N   . - A    278 VAL CA  . mod.= 5.872 id.= 5.875 dev=  0.003 sig.= 0.000
A    275 TYR CA  . - A    277 ALA CA  . mod.= 5.438 id.= 5.440 dev=  0.003 sig.= 0.000
A    275 TYR CA  . - A    278 VAL CA  . mod.= 5.499 id.= 5.501 dev=  0.002 sig.= 0.000
A    275 TYR CA  . - A    279 THR N   . mod.= 5.547 id.= 5.549 dev=  0.002 sig.= 0.000
A    275 TYR C   . - A    277 ALA O   . mod.= 5.692 id.= 5.695 dev=  0.003 sig.= 0.000
A    275 TYR O   . - A    277 ALA C   . mod.= 4.212 id.= 4.210 dev= -0.002 sig.= 0.000
A    275 TYR O   . - A    278 VAL N   . mod.= 3.442 id.= 3.439 dev= -0.003 sig.= 0.000
A    275 TYR O   . - A    278 VAL CA  . mod.= 4.017 id.= 4.011 dev= -0.005 sig.= 0.000
A    275 TYR O   . - A    278 VAL C   . mod.= 4.018 id.= 4.014 dev= -0.004 sig.= 0.000
A    275 TYR O   . - A    279 THR N   . mod.= 3.311 id.= 3.309 dev= -0.003 sig.= 0.000
A    276 ASN N   . - A    277 ALA O   . mod.= 5.796 id.= 5.799 dev=  0.004 sig.= 0.000
A    276 ASN CA  . - A    277 ALA O   . mod.= 5.277 id.= 5.281 dev=  0.004 sig.= 0.000
A    276 ASN C   . - A    277 ALA O   . mod.= 3.849 id.= 3.853 dev=  0.004 sig.= 0.000
A    276 ASN C   . - A    278 VAL N   . mod.= 3.479 id.= 3.482 dev=  0.003 sig.= 0.000
A    276 ASN O   . - A    277 ALA C   . mod.= 3.142 id.= 3.144 dev=  0.002 sig.= 0.000
A    276 ASN O   . - A    277 ALA O   . mod.= 3.484 id.= 3.487 dev=  0.004 sig.= 0.000
A    276 ASN O   . - A    278 VAL N   . mod.= 3.709 id.= 3.712 dev=  0.003 sig.= 0.000
A    276 ASN O   . - A    279 THR CA  . mod.= 4.057 id.= 4.055 dev= -0.002 sig.= 0.000
A    276 ASN O   . - A    280 TYR C   . mod.= 5.153 id.= 5.148 dev= -0.005 sig.= 0.000
A    276 ASN O   . - A    280 TYR O   . mod.= 5.991 id.= 5.942 dev= -0.050 sig.= 0.000
A    277 ALA CA  . - A    278 VAL CA  . mod.= 3.838 id.= 3.842 dev=  0.003 sig.= 0.000
A    277 ALA CA  . - A    279 THR CA  . mod.= 5.500 id.= 5.497 dev= -0.002 sig.= 0.000
A    277 ALA CA  . - A    280 TYR N   . mod.= 4.597 id.= 4.594 dev= -0.004 sig.= 0.000
A    277 ALA CA  . - A    280 TYR CA  . mod.= 5.099 id.= 5.096 dev= -0.002 sig.= 0.000
A    277 ALA C   . - A    279 THR C   . mod.= 4.659 id.= 4.662 dev=  0.003 sig.= 0.000
A    277 ALA C   . - A    279 THR O   . mod.= 5.835 id.= 5.837 dev=  0.002 sig.= 0.000
A    277 ALA C   . - A    280 TYR CA  . mod.= 4.600 id.= 4.603 dev=  0.002 sig.= 0.000
A    277 ALA C   . - A    280 TYR C   . mod.= 5.702 id.= 5.698 dev= -0.004 sig.= 0.000
A    277 ALA O   . - A    278 VAL CA  . mod.= 2.741 id.= 2.743 dev=  0.002 sig.= 0.000
A    277 ALA O   . - A    279 THR C   . mod.= 4.265 id.= 4.267 dev=  0.002 sig.= 0.000
A    277 ALA O   . - A    280 TYR C   . mod.= 4.745 id.= 4.738 dev= -0.007 sig.= 0.000
A    277 ALA O   . - A    280 TYR O   . mod.= 5.898 id.= 5.894 dev= -0.004 sig.= 0.000
A    278 VAL N   . - A    279 THR C   . mod.= 4.800 id.= 4.802 dev=  0.003 sig.= 0.000
A    278 VAL N   . - A    280 TYR CA  . mod.= 5.369 id.= 5.371 dev=  0.003 sig.= 0.000
A    278 VAL CA  . - A    279 THR CA  . mod.= 3.791 id.= 3.786 dev= -0.004 sig.= 0.000
A    278 VAL CA  . - A    279 THR C   . mod.= 4.621 id.= 4.619 dev= -0.002 sig.= 0.000
A    278 VAL CA  . - A    279 THR O   . mod.= 5.827 id.= 5.823 dev= -0.004 sig.= 0.000
A    278 VAL CA  . - A    280 TYR N   . mod.= 4.312 id.= 4.307 dev= -0.004 sig.= 0.000
A    278 VAL C   . - A    279 THR C   . mod.= 3.400 id.= 3.402 dev=  0.002 sig.= 0.000
A    278 VAL C   . - A    280 TYR C   . mod.= 5.419 id.= 5.423 dev=  0.004 sig.= 0.000
A    278 VAL O   . - A    279 THR O   . mod.= 4.720 id.= 4.717 dev= -0.003 sig.= 0.000
A    278 VAL O   . - A    280 TYR N   . mod.= 3.880 id.= 3.877 dev= -0.003 sig.= 0.000
A    278 VAL O   . - A    280 TYR C   . mod.= 5.480 id.= 5.483 dev=  0.003 sig.= 0.000
A    279 THR N   . - A    280 TYR C   . mod.= 4.951 id.= 4.954 dev=  0.003 sig.= 0.000
A    279 THR CA  . - A    280 TYR C   . mod.= 4.481 id.= 4.487 dev=  0.005 sig.= 0.000
A    279 THR CA  . - A    280 TYR O   . mod.= 5.428 id.= 5.436 dev=  0.009 sig.= 0.000
A    279 THR C   . - A    280 TYR C   . mod.= 3.148 id.= 3.154 dev=  0.006 sig.= 0.000
A    279 THR C   . - A    280 TYR O   . mod.= 4.014 id.= 4.012 dev= -0.002 sig.= 0.000
A    279 THR O   . - A    280 TYR C   . mod.= 3.225 id.= 3.234 dev=  0.009 sig.= 0.000
A    279 THR O   . - A    280 TYR O   . mod.= 3.750 id.= 3.743 dev= -0.007 sig.= 0.000
A    280 TYR N   . - A    280 TYR O   . mod.= 3.525 id.= 3.517 dev= -0.008 sig.= 0.000
B      1 TRP N   . - B      1 TRP O   . mod.= 2.833 id.= 2.837 dev=  0.004 sig.= 0.000
B      1 TRP N   . - B      2 THR N   . mod.= 3.445 id.= 3.442 dev= -0.003 sig.= 0.000
B      1 TRP N   . - B      2 THR CA  . mod.= 4.705 id.= 4.707 dev=  0.002 sig.= 0.000
B      1 TRP N   . - B     21 ASP C   . mod.= 4.055 id.= 4.051 dev= -0.004 sig.= 0.000
B      1 TRP N   . - B     21 ASP O   . mod.= 2.957 id.= 2.953 dev= -0.004 sig.= 0.000
B      1 TRP N   . - B     22 TYR CA  . mod.= 5.180 id.= 5.182 dev=  0.002 sig.= 0.000
B      1 TRP N   . - B     22 TYR C   . mod.= 5.679 id.= 5.682 dev=  0.004 sig.= 0.000
B      1 TRP N   . - B     22 TYR O   . mod.= 5.678 id.= 5.689 dev=  0.011 sig.= 0.000
B      1 TRP N   . - B     24 TRP CA  . mod.= 5.643 id.= 5.639 dev= -0.004 sig.= 0.000
B      1 TRP N   . - B     24 TRP C   . mod.= 5.217 id.= 5.215 dev= -0.003 sig.= 0.000
B      1 TRP N   . - B     24 TRP O   . mod.= 5.780 id.= 5.776 dev= -0.004 sig.= 0.000
B      1 TRP N   . - B     25 ASP CA  . mod.= 5.131 id.= 5.135 dev=  0.004 sig.= 0.000
B      1 TRP CA  . - B      2 THR C   . mod.= 4.653 id.= 4.660 dev=  0.007 sig.= 0.000
B      1 TRP CA  . - B      2 THR O   . mod.= 5.037 id.= 5.040 dev=  0.003 sig.= 0.000
B      1 TRP CA  . - B     21 ASP C   . mod.= 4.967 id.= 4.963 dev= -0.005 sig.= 0.000
B      1 TRP CA  . - B     21 ASP O   . mod.= 3.911 id.= 3.904 dev= -0.006 sig.= 0.000
B      1 TRP CA  . - B     24 TRP O   . mod.= 5.688 id.= 5.690 dev=  0.002 sig.= 0.000
B      1 TRP CA  . - B     25 ASP N   . mod.= 5.313 id.= 5.315 dev=  0.003 sig.= 0.000
B      1 TRP CA  . - B     25 ASP CA  . mod.= 5.646 id.= 5.649 dev=  0.004 sig.= 0.000
B      1 TRP C   . - B      3 PRO N   . mod.= 4.075 id.= 4.069 dev= -0.006 sig.= 0.000
B      1 TRP C   . - B     21 ASP CA  . mod.= 4.929 id.= 4.925 dev= -0.005 sig.= 0.000
B      1 TRP C   . - B     21 ASP O   . mod.= 4.142 id.= 4.144 dev=  0.002 sig.= 0.000
B      1 TRP O   . - B      2 THR CA  . mod.= 2.811 id.= 2.803 dev= -0.008 sig.= 0.000
B      1 TRP O   . - B      2 THR O   . mod.= 4.766 id.= 4.763 dev= -0.004 sig.= 0.000
B      1 TRP O   . - B      3 PRO N   . mod.= 4.153 id.= 4.156 dev=  0.003 sig.= 0.000
B      1 TRP O   . - B      3 PRO CA  . mod.= 5.466 id.= 5.477 dev=  0.011 sig.= 0.000
B      1 TRP O   . - B     20 THR C   . mod.= 5.943 id.= 5.961 dev=  0.018 sig.= 0.000
B      1 TRP O   . - B     20 THR O   . mod.= 5.763 id.= 5.812 dev=  0.049 sig.= 0.000
B      1 TRP O   . - B     21 ASP N   . mod.= 5.198 id.= 5.190 dev= -0.008 sig.= 0.000
B      1 TRP O   . - B     21 ASP CA  . mod.= 3.838 id.= 3.831 dev= -0.008 sig.= 0.000
B      1 TRP O   . - B     21 ASP O   . mod.= 3.515 id.= 3.532 dev=  0.018 sig.= 0.000
B      1 TRP O   . - B     22 TYR N   . mod.= 5.418 id.= 5.412 dev= -0.005 sig.= 0.000
B      1 TRP O   . - B     24 TRP CA  . mod.= 5.806 id.= 5.926 dev=  0.120 sig.= 0.000
B      2 THR N   . - B      2 THR O   . mod.= 2.909 id.= 2.912 dev=  0.003 sig.= 0.000
B      2 THR N   . - B      3 PRO N   . mod.= 3.374 id.= 3.366 dev= -0.009 sig.= 0.000
B      2 THR N   . - B      3 PRO CA  . mod.= 4.623 id.= 4.620 dev= -0.003 sig.= 0.000
B      2 THR N   . - B      3 PRO O   . mod.= 5.638 id.= 5.643 dev=  0.005 sig.= 0.000
B      2 THR N   . - B     21 ASP O   . mod.= 5.404 id.= 5.415 dev=  0.011 sig.= 0.000
B      2 THR CA  . - B      3 PRO CA  . mod.= 3.802 id.= 3.806 dev=  0.004 sig.= 0.000
B      2 THR CA  . - B      3 PRO O   . mod.= 4.354 id.= 4.362 dev=  0.009 sig.= 0.000
B      2 THR CA  . - B      4 ASN N   . mod.= 5.663 id.= 5.657 dev= -0.006 sig.= 0.000
B      2 THR C   . - B      3 PRO O   . mod.= 3.304 id.= 3.311 dev=  0.007 sig.= 0.000
B      2 THR C   . - B      4 ASN CA  . mod.= 5.318 id.= 5.313 dev= -0.004 sig.= 0.000
B      2 THR O   . - B      3 PRO O   . mod.= 3.627 id.= 3.638 dev=  0.011 sig.= 0.000
B      2 THR O   . - B      4 ASN N   . mod.= 4.059 id.= 4.051 dev= -0.008 sig.= 0.000
B      3 PRO N   . - B      3 PRO O   . mod.= 2.702 id.= 2.696 dev= -0.006 sig.= 0.000
B      3 PRO N   . - B      4 ASN N   . mod.= 3.621 id.= 3.624 dev=  0.004 sig.= 0.000
B      3 PRO N   . - B      4 ASN CA  . mod.= 4.850 id.= 4.846 dev= -0.004 sig.= 0.000
B      3 PRO N   . - B      5 ASP N   . mod.= 5.599 id.= 5.602 dev=  0.003 sig.= 0.000
B      3 PRO N   . - B     85 ASN CA  . mod.= 5.977 id.= 5.984 dev=  0.006 sig.= 0.000
B      3 PRO CA  . - B      4 ASN CA  . mod.= 3.791 id.= 3.799 dev=  0.009 sig.= 0.000
B      3 PRO CA  . - B      4 ASN C   . mod.= 4.732 id.= 4.735 dev=  0.003 sig.= 0.000
B      3 PRO CA  . - B      4 ASN O   . mod.= 5.909 id.= 5.912 dev=  0.003 sig.= 0.000
B      3 PRO CA  . - B      5 ASP N   . mod.= 4.520 id.= 4.514 dev= -0.006 sig.= 0.000
B      3 PRO CA  . - B      5 ASP CA  . mod.= 5.804 id.= 5.795 dev= -0.008 sig.= 0.000
B      3 PRO CA  . - B     84 THR C   . mod.= 5.990 id.= 5.988 dev= -0.003 sig.= 0.000
B      3 PRO CA  . - B     85 ASN C   . mod.= 5.975 id.= 5.982 dev=  0.007 sig.= 0.000
B      3 PRO C   . - B      5 ASP O   . mod.= 5.184 id.= 5.181 dev= -0.003 sig.= 0.000
B      3 PRO C   . - B     85 ASN N   . mod.= 5.223 id.= 5.226 dev=  0.003 sig.= 0.000
B      3 PRO C   . - B     85 ASN C   . mod.= 5.991 id.= 5.994 dev=  0.003 sig.= 0.000
B      3 PRO O   . - B      5 ASP N   . mod.= 3.513 id.= 3.517 dev=  0.004 sig.= 0.000
B      3 PRO O   . - B      5 ASP CA  . mod.= 4.773 id.= 4.778 dev=  0.005 sig.= 0.000
B      3 PRO O   . - B      5 ASP C   . mod.= 5.198 id.= 5.203 dev=  0.005 sig.= 0.000
B      3 PRO O   . - B      5 ASP O   . mod.= 4.638 id.= 4.642 dev=  0.004 sig.= 0.000
B      3 PRO O   . - B      8 TYR CA  . mod.= 5.779 id.= 5.784 dev=  0.005 sig.= 0.000
B      3 PRO O   . - B      9 GLN N   . mod.= 5.890 id.= 5.896 dev=  0.006 sig.= 0.000
B      4 ASN N   . - B      4 ASN O   . mod.= 3.614 id.= 3.609 dev= -0.005 sig.= 0.000
B      4 ASN N   . - B     85 ASN N   . mod.= 4.805 id.= 4.809 dev=  0.004 sig.= 0.000
B      4 ASN N   . - B     87 ALA N   . mod.= 5.703 id.= 5.701 dev= -0.002 sig.= 0.000
B      4 ASN CA  . - B     85 ASN CA  . mod.= 4.988 id.= 4.983 dev= -0.005 sig.= 0.000
B      4 ASN CA  . - B     85 ASN C   . mod.= 5.562 id.= 5.559 dev= -0.003 sig.= 0.000
B      4 ASN CA  . - B     87 ALA N   . mod.= 5.273 id.= 5.271 dev= -0.002 sig.= 0.000
B      4 ASN CA  . - B     87 ALA CA  . mod.= 5.229 id.= 5.226 dev= -0.003 sig.= 0.000
B      4 ASN C   . - B      5 ASP O   . mod.= 3.208 id.= 3.206 dev= -0.002 sig.= 0.000
B      4 ASN C   . - B      6 THR CA  . mod.= 4.865 id.= 4.858 dev= -0.007 sig.= 0.000
B      4 ASN C   . - B      6 THR C   . mod.= 5.699 id.= 5.702 dev=  0.003 sig.= 0.000
B      4 ASN C   . - B     85 ASN C   . mod.= 5.557 id.= 5.559 dev=  0.002 sig.= 0.000
B      4 ASN C   . - B     86 ASN N   . mod.= 5.470 id.= 5.473 dev=  0.003 sig.= 0.000
B      4 ASN C   . - B     87 ALA N   . mod.= 4.536 id.= 4.539 dev=  0.002 sig.= 0.000
B      4 ASN O   . - B      5 ASP CA  . mod.= 2.873 id.= 2.876 dev=  0.003 sig.= 0.000
B      4 ASN O   . - B      5 ASP C   . mod.= 3.042 id.= 3.045 dev=  0.003 sig.= 0.000
B      4 ASN O   . - B      6 THR CA  . mod.= 4.282 id.= 4.277 dev= -0.005 sig.= 0.000
B      4 ASN O   . - B      6 THR C   . mod.= 5.318 id.= 5.324 dev=  0.006 sig.= 0.000
B      4 ASN O   . - B      7 TYR N   . mod.= 5.982 id.= 5.985 dev=  0.002 sig.= 0.000
B      4 ASN O   . - B     85 ASN CA  . mod.= 5.912 id.= 5.909 dev= -0.003 sig.= 0.000
B      4 ASN O   . - B     87 ALA C   . mod.= 4.371 id.= 4.369 dev= -0.003 sig.= 0.000
B      5 ASP N   . - B      6 THR CA  . mod.= 4.792 id.= 4.790 dev= -0.002 sig.= 0.000
B      5 ASP N   . - B      6 THR C   . mod.= 5.523 id.= 5.528 dev=  0.005 sig.= 0.000
B      5 ASP N   . - B     85 ASN N   . mod.= 4.813 id.= 4.810 dev= -0.003 sig.= 0.000
B      5 ASP N   . - B     85 ASN CA  . mod.= 4.714 id.= 4.709 dev= -0.006 sig.= 0.000
B      5 ASP N   . - B     88 THR C   . mod.= 5.752 id.= 5.749 dev= -0.003 sig.= 0.000
B      5 ASP CA  . - B      6 THR C   . mod.= 4.608 id.= 4.612 dev=  0.004 sig.= 0.000
B      5 ASP CA  . - B      7 TYR C   . mod.= 5.801 id.= 5.799 dev= -0.002 sig.= 0.000
B      5 ASP CA  . - B     85 ASN CA  . mod.= 5.400 id.= 5.396 dev= -0.004 sig.= 0.000
B      5 ASP CA  . - B     88 THR C   . mod.= 4.424 id.= 4.422 dev= -0.002 sig.= 0.000
B      5 ASP CA  . - B     90 ILE CA  . mod.= 5.188 id.= 5.185 dev= -0.004 sig.= 0.000
B      5 ASP C   . - B      6 THR C   . mod.= 3.128 id.= 3.131 dev=  0.003 sig.= 0.000
B      5 ASP C   . - B      7 TYR C   . mod.= 4.628 id.= 4.625 dev= -0.003 sig.= 0.000
B      5 ASP C   . - B      7 TYR O   . mod.= 5.836 id.= 5.833 dev= -0.003 sig.= 0.000
B      5 ASP C   . - B     88 THR CA  . mod.= 5.206 id.= 5.209 dev=  0.004 sig.= 0.000
B      5 ASP C   . - B     90 ILE CA  . mod.= 5.308 id.= 5.305 dev= -0.003 sig.= 0.000
B      5 ASP C   . - B     90 ILE O   . mod.= 5.901 id.= 5.903 dev=  0.002 sig.= 0.000
B      5 ASP O   . - B      6 THR C   . mod.= 3.058 id.= 3.062 dev=  0.004 sig.= 0.000
B      5 ASP O   . - B      8 TYR O   . mod.= 5.826 id.= 5.824 dev= -0.002 sig.= 0.000
B      5 ASP O   . - B     90 ILE N   . mod.= 5.942 id.= 5.944 dev=  0.002 sig.= 0.000
B      5 ASP O   . - B     90 ILE C   . mod.= 5.945 id.= 5.947 dev=  0.002 sig.= 0.000
B      5 ASP O   . - B     91 ALA N   . mod.= 5.962 id.= 5.964 dev=  0.002 sig.= 0.000
B      6 THR N   . - B     87 ALA C   . mod.= 4.120 id.= 4.117 dev= -0.003 sig.= 0.000
B      6 THR N   . - B     88 THR CA  . mod.= 4.394 id.= 4.399 dev=  0.005 sig.= 0.000
B      6 THR N   . - B     88 THR O   . mod.= 4.449 id.= 4.451 dev=  0.002 sig.= 0.000
B      6 THR N   . - B     90 ILE N   . mod.= 5.290 id.= 5.293 dev=  0.003 sig.= 0.000
B      6 THR CA  . - B      7 TYR CA  . mod.= 3.786 id.= 3.790 dev=  0.004 sig.= 0.000
B      6 THR CA  . - B      7 TYR C   . mod.= 4.694 id.= 4.697 dev=  0.003 sig.= 0.000
B      6 THR CA  . - B      7 TYR O   . mod.= 5.874 id.= 5.879 dev=  0.004 sig.= 0.000
B      6 THR CA  . - B      8 TYR N   . mod.= 4.519 id.= 4.521 dev=  0.002 sig.= 0.000
B      6 THR CA  . - B     87 ALA CA  . mod.= 5.518 id.= 5.512 dev= -0.005 sig.= 0.000
B      6 THR CA  . - B     87 ALA C   . mod.= 4.882 id.= 4.877 dev= -0.005 sig.= 0.000
B      6 THR CA  . - B     87 ALA O   . mod.= 5.063 id.= 5.061 dev= -0.002 sig.= 0.000
B      6 THR CA  . - B     88 THR CA  . mod.= 5.117 id.= 5.125 dev=  0.008 sig.= 0.000
B      6 THR CA  . - B     88 THR O   . mod.= 5.513 id.= 5.517 dev=  0.004 sig.= 0.000
B      6 THR CA  . - B     89 GLY N   . mod.= 4.673 id.= 4.678 dev=  0.005 sig.= 0.000
B      6 THR CA  . - B     89 GLY CA  . mod.= 5.137 id.= 5.142 dev=  0.005 sig.= 0.000
B      6 THR CA  . - B     89 GLY C   . mod.= 4.869 id.= 4.875 dev=  0.006 sig.= 0.000
B      6 THR CA  . - B     89 GLY O   . mod.= 3.923 id.= 3.929 dev=  0.006 sig.= 0.000
B      6 THR O   . - B      7 TYR O   . mod.= 4.518 id.= 4.521 dev=  0.003 sig.= 0.000
B      6 THR O   . - B      9 GLN N   . mod.= 4.995 id.= 4.992 dev= -0.003 sig.= 0.000
B      6 THR O   . - B      9 GLN CA  . mod.= 5.896 id.= 5.890 dev= -0.006 sig.= 0.000
B      6 THR O   . - B     10 GLY N   . mod.= 5.481 id.= 5.473 dev= -0.007 sig.= 0.000
B      7 TYR N   . - B     88 THR C   . mod.= 5.620 id.= 5.618 dev= -0.002 sig.= 0.000
B      7 TYR CA  . - B      8 TYR CA  . mod.= 3.836 id.= 3.839 dev=  0.003 sig.= 0.000
B      7 TYR CA  . - B      8 TYR C   . mod.= 4.562 id.= 4.567 dev=  0.005 sig.= 0.000
B      7 TYR CA  . - B     10 GLY N   . mod.= 5.225 id.= 5.223 dev= -0.003 sig.= 0.000
B      7 TYR CA  . - B     10 GLY CA  . mod.= 5.946 id.= 5.943 dev= -0.003 sig.= 0.000
B      7 TYR CA  . - B     10 GLY C   . mod.= 5.870 id.= 5.866 dev= -0.004 sig.= 0.000
B      7 TYR CA  . - B     11 TYR N   . mod.= 4.921 id.= 4.918 dev= -0.003 sig.= 0.000
B      7 TYR CA  . - B     11 TYR CA  . mod.= 5.296 id.= 5.292 dev= -0.004 sig.= 0.000
B      7 TYR CA  . - B     11 TYR C   . mod.= 5.849 id.= 5.857 dev=  0.008 sig.= 0.000
B      7 TYR CA  . - B     12 GLN N   . mod.= 5.589 id.= 5.595 dev=  0.006 sig.= 0.000
B      7 TYR CA  . - B     89 GLY CA  . mod.= 5.595 id.= 5.591 dev= -0.003 sig.= 0.000
B      7 TYR CA  . - B     89 GLY C   . mod.= 4.705 id.= 4.703 dev= -0.003 sig.= 0.000
B      7 TYR C   . - B      8 TYR O   . mod.= 3.796 id.= 3.793 dev= -0.002 sig.= 0.000
B      7 TYR C   . - B      9 GLN CA  . mod.= 4.788 id.= 4.786 dev= -0.002 sig.= 0.000
B      7 TYR C   . - B      9 GLN C   . mod.= 5.030 id.= 5.027 dev= -0.003 sig.= 0.000
B      7 TYR C   . - B     11 TYR CA  . mod.= 4.601 id.= 4.596 dev= -0.005 sig.= 0.000
B      7 TYR C   . - B     11 TYR C   . mod.= 4.938 id.= 4.944 dev=  0.005 sig.= 0.000
B      7 TYR C   . - B     12 GLN N   . mod.= 4.429 id.= 4.432 dev=  0.003 sig.= 0.000
B      7 TYR O   . - B      8 TYR CA  . mod.= 2.829 id.= 2.825 dev= -0.004 sig.= 0.000
B      7 TYR O   . - B      8 TYR O   . mod.= 3.362 id.= 3.358 dev= -0.004 sig.= 0.000
B      7 TYR O   . - B     10 GLY O   . mod.= 5.277 id.= 5.269 dev= -0.008 sig.= 0.000
B      7 TYR O   . - B     11 TYR CA  . mod.= 3.412 id.= 3.406 dev= -0.005 sig.= 0.000
B      7 TYR O   . - B     11 TYR C   . mod.= 3.712 id.= 3.716 dev=  0.004 sig.= 0.000
B      7 TYR O   . - B     11 TYR O   . mod.= 4.801 id.= 4.804 dev=  0.003 sig.= 0.000
B      7 TYR O   . - B     12 GLN CA  . mod.= 4.371 id.= 4.369 dev= -0.002 sig.= 0.000
B      7 TYR O   . - B     12 GLN O   . mod.= 5.417 id.= 5.420 dev=  0.003 sig.= 0.000
B      7 TYR O   . - B     90 ILE CA  . mod.= 5.930 id.= 5.926 dev= -0.003 sig.= 0.000
B      8 TYR N   . - B      9 GLN N   . mod.= 2.990 id.= 2.992 dev=  0.002 sig.= 0.000
B      8 TYR N   . - B     11 TYR CA  . mod.= 5.594 id.= 5.589 dev= -0.006 sig.= 0.000
B      8 TYR N   . - B     11 TYR C   . mod.= 5.740 id.= 5.743 dev=  0.003 sig.= 0.000
B      8 TYR CA  . - B      9 GLN C   . mod.= 4.603 id.= 4.608 dev=  0.005 sig.= 0.000
B      8 TYR CA  . - B      9 GLN O   . mod.= 5.586 id.= 5.590 dev=  0.004 sig.= 0.000
B      8 TYR CA  . - B     10 GLY N   . mod.= 4.593 id.= 4.596 dev=  0.003 sig.= 0.000
B      8 TYR CA  . - B     11 TYR CA  . mod.= 5.670 id.= 5.663 dev= -0.006 sig.= 0.000
B      8 TYR CA  . - B     12 GLN O   . mod.= 5.522 id.= 5.527 dev=  0.005 sig.= 0.000
B      8 TYR CA  . - B     89 GLY O   . mod.= 5.229 id.= 5.231 dev=  0.003 sig.= 0.000
B      8 TYR CA  . - B     90 ILE CA  . mod.= 5.503 id.= 5.505 dev=  0.002 sig.= 0.000
B      8 TYR CA  . - B     90 ILE C   . mod.= 5.891 id.= 5.896 dev=  0.006 sig.= 0.000
B      8 TYR CA  . - B     91 ALA N   . mod.= 5.343 id.= 5.348 dev=  0.006 sig.= 0.000
B      8 TYR C   . - B      9 GLN C   . mod.= 3.206 id.= 3.209 dev=  0.003 sig.= 0.000
B      8 TYR C   . - B     11 TYR N   . mod.= 4.258 id.= 4.261 dev=  0.003 sig.= 0.000
B      8 TYR C   . - B     12 GLN CA  . mod.= 4.792 id.= 4.794 dev=  0.002 sig.= 0.000
B      8 TYR O   . - B      9 GLN CA  . mod.= 2.841 id.= 2.838 dev= -0.003 sig.= 0.000
B      8 TYR O   . - B      9 GLN C   . mod.= 3.185 id.= 3.191 dev=  0.006 sig.= 0.000
B      8 TYR O   . - B      9 GLN O   . mod.= 3.802 id.= 3.808 dev=  0.006 sig.= 0.000
B      8 TYR O   . - B     11 TYR CA  . mod.= 4.653 id.= 4.649 dev= -0.003 sig.= 0.000
B      8 TYR O   . - B     11 TYR C   . mod.= 4.396 id.= 4.393 dev= -0.003 sig.= 0.000
B      8 TYR O   . - B     12 GLN CA  . mod.= 3.832 id.= 3.835 dev=  0.002 sig.= 0.000
B      8 TYR O   . - B     12 GLN O   . mod.= 3.464 id.= 3.468 dev=  0.004 sig.= 0.000
B      9 GLN N   . - B     10 GLY N   . mod.= 2.899 id.= 2.902 dev=  0.003 sig.= 0.000
B      9 GLN N   . - B     11 TYR N   . mod.= 4.563 id.= 4.566 dev=  0.003 sig.= 0.000
B      9 GLN CA  . - B     10 GLY C   . mod.= 4.687 id.= 4.690 dev=  0.003 sig.= 0.000
B      9 GLN CA  . - B     10 GLY O   . mod.= 5.764 id.= 5.766 dev=  0.002 sig.= 0.000
B      9 GLN CA  . - B     11 TYR N   . mod.= 4.654 id.= 4.657 dev=  0.003 sig.= 0.000
B      9 GLN CA  . - B     11 TYR CA  . mod.= 5.977 id.= 5.980 dev=  0.003 sig.= 0.000
B      9 GLN CA  . - B     12 GLN N   . mod.= 5.624 id.= 5.621 dev= -0.003 sig.= 0.000
B      9 GLN CA  . - B     12 GLN O   . mod.= 5.580 id.= 5.576 dev= -0.004 sig.= 0.000
B      9 GLN C   . - B     11 TYR CA  . mod.= 5.048 id.= 5.052 dev=  0.004 sig.= 0.000
B      9 GLN C   . - B     11 TYR C   . mod.= 5.608 id.= 5.605 dev= -0.002 sig.= 0.000
B      9 GLN C   . - B     12 GLN O   . mod.= 5.146 id.= 5.149 dev=  0.003 sig.= 0.000
B      9 GLN O   . - B     10 GLY CA  . mod.= 2.646 id.= 2.639 dev= -0.008 sig.= 0.000
B      9 GLN O   . - B     10 GLY O   . mod.= 4.280 id.= 4.284 dev=  0.004 sig.= 0.000
B      9 GLN O   . - B     11 TYR CA  . mod.= 5.410 id.= 5.417 dev=  0.007 sig.= 0.000
B      9 GLN O   . - B     11 TYR C   . mod.= 5.888 id.= 5.885 dev= -0.002 sig.= 0.000
B      9 GLN O   . - B     12 GLN O   . mod.= 4.981 id.= 4.984 dev=  0.002 sig.= 0.000
B     10 GLY N   . - B     10 GLY O   . mod.= 3.603 id.= 3.600 dev= -0.003 sig.= 0.000
B     10 GLY N   . - B     11 TYR CA  . mod.= 4.203 id.= 4.209 dev=  0.006 sig.= 0.000
B     10 GLY CA  . - B     11 TYR CA  . mod.= 3.771 id.= 3.781 dev=  0.010 sig.= 0.000
B     10 GLY CA  . - B     11 TYR C   . mod.= 4.846 id.= 4.843 dev= -0.003 sig.= 0.000
B     10 GLY CA  . - B     12 GLN O   . mod.= 5.624 id.= 5.619 dev= -0.005 sig.= 0.000
B     10 GLY C   . - B     11 TYR C   . mod.= 3.556 id.= 3.554 dev= -0.003 sig.= 0.000
B     10 GLY C   . - B     12 GLN CA  . mod.= 5.321 id.= 5.325 dev=  0.004 sig.= 0.000
B     10 GLY C   . - B     12 GLN C   . mod.= 5.542 id.= 5.547 dev=  0.005 sig.= 0.000
B     10 GLY O   . - B     11 TYR CA  . mod.= 2.730 id.= 2.735 dev=  0.005 sig.= 0.000
B     10 GLY O   . - B     11 TYR C   . mod.= 3.835 id.= 3.829 dev= -0.006 sig.= 0.000
B     10 GLY O   . - B     11 TYR O   . mod.= 4.454 id.= 4.451 dev= -0.003 sig.= 0.000
B     10 GLY O   . - B     12 GLN N   . mod.= 4.519 id.= 4.516 dev= -0.003 sig.= 0.000
B     10 GLY O   . - B     12 GLN CA  . mod.= 5.777 id.= 5.781 dev=  0.004 sig.= 0.000
B     10 GLY O   . - B     12 GLN C   . mod.= 5.862 id.= 5.871 dev=  0.009 sig.= 0.000
B     10 GLY O   . - B     12 GLN O   . mod.= 5.284 id.= 5.287 dev=  0.003 sig.= 0.000
B     11 TYR N   . - B     12 GLN CA  . mod.= 4.299 id.= 4.303 dev=  0.004 sig.= 0.000
B     11 TYR N   . - B     12 GLN C   . mod.= 4.805 id.= 4.810 dev=  0.005 sig.= 0.000
B     11 TYR N   . - B     12 GLN O   . mod.= 4.403 id.= 4.405 dev=  0.002 sig.= 0.000
B     11 TYR CA  . - B     12 GLN CA  . mod.= 3.787 id.= 3.779 dev= -0.007 sig.= 0.000
B     11 TYR CA  . - B     12 GLN C   . mod.= 4.492 id.= 4.489 dev= -0.003 sig.= 0.000
B     11 TYR C   . - B     12 GLN C   . mod.= 3.197 id.= 3.193 dev= -0.004 sig.= 0.000
B     11 TYR C   . - B     12 GLN O   . mod.= 3.448 id.= 3.444 dev= -0.004 sig.= 0.000
B     11 TYR C   . - B     13 TYR CA  . mod.= 5.398 id.= 5.401 dev=  0.003 sig.= 0.000
B     11 TYR C   . - B    211 VAL N   . mod.= 5.881 id.= 5.883 dev=  0.002 sig.= 0.000
B     11 TYR O   . - B     12 GLN C   . mod.= 3.358 id.= 3.355 dev= -0.003 sig.= 0.000
B     11 TYR O   . - B     13 TYR N   . mod.= 4.017 id.= 4.020 dev=  0.003 sig.= 0.000
B     11 TYR O   . - B     13 TYR CA  . mod.= 5.206 id.= 5.214 dev=  0.009 sig.= 0.000
B     11 TYR O   . - B    209 ASP O   . mod.= 5.107 id.= 5.109 dev=  0.003 sig.= 0.000
B     11 TYR O   . - B    211 VAL N   . mod.= 5.060 id.= 5.063 dev=  0.003 sig.= 0.000
B     11 TYR O   . - B    211 VAL CA  . mod.= 5.465 id.= 5.489 dev=  0.024 sig.= 0.000
B     12 GLN N   . - B     12 GLN O   . mod.= 2.657 id.= 2.659 dev=  0.002 sig.= 0.000
B     12 GLN N   . - B     13 TYR N   . mod.= 3.582 id.= 3.586 dev=  0.003 sig.= 0.000
B     12 GLN N   . - B     13 TYR C   . mod.= 5.980 id.= 5.977 dev= -0.003 sig.= 0.000
B     12 GLN CA  . - B     13 TYR CA  . mod.= 3.803 id.= 3.808 dev=  0.005 sig.= 0.000
B     12 GLN CA  . - B     13 TYR O   . mod.= 5.865 id.= 5.868 dev=  0.003 sig.= 0.000
B     12 GLN CA  . - B    211 VAL N   . mod.= 5.812 id.= 5.823 dev=  0.011 sig.= 0.000
B     12 GLN C   . - B     13 TYR C   . mod.= 3.617 id.= 3.615 dev= -0.003 sig.= 0.000
B     12 GLN C   . - B     14 GLY N   . mod.= 3.891 id.= 3.888 dev= -0.003 sig.= 0.000
B     12 GLN C   . - B     14 GLY C   . mod.= 5.980 id.= 5.985 dev=  0.005 sig.= 0.000
B     12 GLN C   . - B     15 PRO N   . mod.= 5.674 id.= 5.683 dev=  0.009 sig.= 0.000
B     12 GLN O   . - B     13 TYR O   . mod.= 4.916 id.= 4.919 dev=  0.003 sig.= 0.000
B     12 GLN O   . - B     14 GLY N   . mod.= 4.707 id.= 4.711 dev=  0.004 sig.= 0.000
B     13 TYR N   . - B     14 GLY N   . mod.= 2.647 id.= 2.642 dev= -0.005 sig.= 0.000
B     13 TYR N   . - B     14 GLY CA  . mod.= 4.061 id.= 4.059 dev= -0.002 sig.= 0.000
B     13 TYR N   . - B     15 PRO N   . mod.= 4.868 id.= 4.873 dev=  0.005 sig.= 0.000
B     13 TYR N   . - B     16 GLN N   . mod.= 5.481 id.= 5.492 dev=  0.011 sig.= 0.000
B     13 TYR CA  . - B     14 GLY CA  . mod.= 3.827 id.= 3.825 dev= -0.002 sig.= 0.000
B     13 TYR CA  . - B     14 GLY O   . mod.= 5.331 id.= 5.328 dev= -0.003 sig.= 0.000
B     13 TYR CA  . - B     16 GLN CA  . mod.= 5.150 id.= 5.154 dev=  0.004 sig.= 0.000
B     13 TYR CA  . - B     16 GLN C   . mod.= 5.586 id.= 5.588 dev=  0.002 sig.= 0.000
B     13 TYR CA  . - B     17 ASN N   . mod.= 4.937 id.= 4.939 dev=  0.002 sig.= 0.000
B     13 TYR C   . - B     15 PRO N   . mod.= 3.437 id.= 3.431 dev= -0.006 sig.= 0.000
B     13 TYR C   . - B     15 PRO CA  . mod.= 4.569 id.= 4.566 dev= -0.003 sig.= 0.000
B     13 TYR C   . - B     15 PRO C   . mod.= 4.596 id.= 4.593 dev= -0.003 sig.= 0.000
B     13 TYR C   . - B     16 GLN N   . mod.= 3.830 id.= 3.825 dev= -0.005 sig.= 0.000
B     13 TYR C   . - B     16 GLN CA  . mod.= 4.471 id.= 4.469 dev= -0.003 sig.= 0.000
B     13 TYR C   . - B     17 ASN CA  . mod.= 4.807 id.= 4.811 dev=  0.004 sig.= 0.000
B     13 TYR C   . - B     17 ASN C   . mod.= 5.569 id.= 5.808 dev=  0.239 sig.= 0.000
B     13 TYR C   . - B     18 THR N   . mod.= 5.895 id.= 5.898 dev=  0.004 sig.= 0.000
B     13 TYR O   . - B     14 GLY CA  . mod.= 2.949 id.= 2.952 dev=  0.003 sig.= 0.000
B     13 TYR O   . - B     14 GLY C   . mod.= 3.099 id.= 3.103 dev=  0.004 sig.= 0.000
B     13 TYR O   . - B     16 GLN N   . mod.= 3.257 id.= 3.255 dev= -0.002 sig.= 0.000
B     13 TYR O   . - B     17 ASN CA  . mod.= 3.598 id.= 3.602 dev=  0.004 sig.= 0.000
B     13 TYR O   . - B     17 ASN C   . mod.= 4.455 id.= 4.668 dev=  0.213 sig.= 0.000
B     13 TYR O   . - B     17 ASN O   . mod.= 5.185 id.= 5.653 dev=  0.468 sig.= 0.000
B     13 TYR O   . - B     18 THR N   . mod.= 4.845 id.= 4.850 dev=  0.006 sig.= 0.000
B     14 GLY N   . - B     15 PRO CA  . mod.= 4.415 id.= 4.418 dev=  0.003 sig.= 0.000
B     14 GLY N   . - B     16 GLN C   . mod.= 5.677 id.= 5.674 dev= -0.002 sig.= 0.000
B     14 GLY N   . - B     17 ASN N   . mod.= 4.838 id.= 4.834 dev= -0.004 sig.= 0.000
B     14 GLY CA  . - B     15 PRO CA  . mod.= 3.829 id.= 3.831 dev=  0.002 sig.= 0.000
B     14 GLY CA  . - B     15 PRO C   . mod.= 4.522 id.= 4.525 dev=  0.003 sig.= 0.000
B     14 GLY CA  . - B     17 ASN CA  . mod.= 5.512 id.= 5.516 dev=  0.004 sig.= 0.000
B     14 GLY CA  . - B     17 ASN C   . mod.= 5.573 id.= 5.898 dev=  0.325 sig.= 0.000
B     14 GLY CA  . - B    206 PRO N   . mod.= 5.775 id.= 5.769 dev= -0.006 sig.= 0.000
B     14 GLY CA  . - B    206 PRO CA  . mod.= 5.409 id.= 5.403 dev= -0.006 sig.= 0.000
B     14 GLY CA  . - B    206 PRO C   . mod.= 5.924 id.= 5.926 dev=  0.002 sig.= 0.000
B     14 GLY CA  . - B    206 PRO O   . mod.= 5.885 id.= 5.901 dev=  0.016 sig.= 0.000
B     14 GLY C   . - B     15 PRO O   . mod.= 3.936 id.= 3.933 dev= -0.003 sig.= 0.000
B     14 GLY C   . - B     17 ASN CA  . mod.= 4.979 id.= 4.984 dev=  0.006 sig.= 0.000
B     14 GLY C   . - B     17 ASN C   . mod.= 4.858 id.= 5.156 dev=  0.298 sig.= 0.000
B     14 GLY C   . - B     18 THR CA  . mod.= 5.404 id.= 5.407 dev=  0.003 sig.= 0.000
B     14 GLY O   . - B     15 PRO O   . mod.= 3.561 id.= 3.558 dev= -0.002 sig.= 0.000
B     14 GLY O   . - B     16 GLN O   . mod.= 5.407 id.= 5.405 dev= -0.002 sig.= 0.000
B     14 GLY O   . - B     17 ASN N   . mod.= 3.843 id.= 3.838 dev= -0.004 sig.= 0.000
B     14 GLY O   . - B     17 ASN CA  . mod.= 4.316 id.= 4.319 dev=  0.003 sig.= 0.000
B     14 GLY O   . - B     17 ASN C   . mod.= 3.882 id.= 4.192 dev=  0.309 sig.= 0.000
B     14 GLY O   . - B     17 ASN O   . mod.= 4.395 id.= 5.118 dev=  0.724 sig.= 0.000
B     14 GLY O   . - B     18 THR CA  . mod.= 4.250 id.= 4.253 dev=  0.003 sig.= 0.000
B     14 GLY O   . - B     19 TYR N   . mod.= 5.468 id.= 5.466 dev= -0.002 sig.= 0.000
B     14 GLY O   . - B     20 THR N   . mod.= 5.949 id.= 5.953 dev=  0.005 sig.= 0.000
B     15 PRO N   . - B     15 PRO O   . mod.= 3.515 id.= 3.518 dev=  0.002 sig.= 0.000
B     15 PRO N   . - B     16 GLN N   . mod.= 2.824 id.= 2.827 dev=  0.002 sig.= 0.000
B     15 PRO N   . - B     16 GLN C   . mod.= 4.889 id.= 4.891 dev=  0.002 sig.= 0.000
B     15 PRO N   . - B     17 ASN C   . mod.= 5.606 id.= 5.846 dev=  0.240 sig.= 0.000
B     15 PRO CA  . - B     16 GLN CA  . mod.= 3.853 id.= 3.848 dev= -0.005 sig.= 0.000
B     15 PRO CA  . - B     17 ASN N   . mod.= 4.576 id.= 4.574 dev= -0.002 sig.= 0.000
B     15 PRO CA  . - B     17 ASN C   . mod.= 5.541 id.= 5.719 dev=  0.178 sig.= 0.000
B     15 PRO CA  . - B     18 THR C   . mod.= 5.709 id.= 5.706 dev= -0.004 sig.= 0.000
B     15 PRO CA  . - B     20 THR CA  . mod.= 4.856 id.= 4.864 dev=  0.008 sig.= 0.000
B     15 PRO CA  . - B     20 THR C   . mod.= 5.461 id.= 5.465 dev=  0.003 sig.= 0.000
B     15 PRO CA  . - B     21 ASP N   . mod.= 5.312 id.= 5.317 dev=  0.005 sig.= 0.000
B     15 PRO C   . - B     17 ASN C   . mod.= 4.692 id.= 4.790 dev=  0.098 sig.= 0.000
B     15 PRO C   . - B     17 ASN O   . mod.= 5.776 id.= 5.980 dev=  0.205 sig.= 0.000
B     15 PRO C   . - B     19 TYR CA  . mod.= 5.003 id.= 5.006 dev=  0.003 sig.= 0.000
B     15 PRO C   . - B     20 THR CA  . mod.= 4.441 id.= 4.444 dev=  0.004 sig.= 0.000
B     15 PRO C   . - B     21 ASP CA  . mod.= 5.674 id.= 5.666 dev= -0.008 sig.= 0.000
B     15 PRO O   . - B     16 GLN C   . mod.= 3.137 id.= 3.141 dev=  0.004 sig.= 0.000
B     15 PRO O   . - B     16 GLN O   . mod.= 3.452 id.= 3.455 dev=  0.002 sig.= 0.000
B     15 PRO O   . - B     17 ASN C   . mod.= 4.334 id.= 4.369 dev=  0.035 sig.= 0.000
B     15 PRO O   . - B     17 ASN O   . mod.= 5.418 id.= 5.487 dev=  0.069 sig.= 0.000
B     15 PRO O   . - B     18 THR N   . mod.= 3.333 id.= 3.329 dev= -0.004 sig.= 0.000
B     15 PRO O   . - B     18 THR CA  . mod.= 3.917 id.= 3.912 dev= -0.005 sig.= 0.000
B     15 PRO O   . - B     18 THR C   . mod.= 3.749 id.= 3.743 dev= -0.005 sig.= 0.000
B     15 PRO O   . - B     18 THR O   . mod.= 4.553 id.= 4.550 dev= -0.004 sig.= 0.000
B     15 PRO O   . - B     19 TYR CA  . mod.= 3.854 id.= 3.857 dev=  0.003 sig.= 0.000
B     15 PRO O   . - B     20 THR CA  . mod.= 3.531 id.= 3.533 dev=  0.002 sig.= 0.000
B     15 PRO O   . - B     20 THR C   . mod.= 4.293 id.= 4.295 dev=  0.002 sig.= 0.000
B     15 PRO O   . - B     21 ASP N   . mod.= 4.020 id.= 4.025 dev=  0.005 sig.= 0.000
B     15 PRO O   . - B     21 ASP CA  . mod.= 5.256 id.= 5.253 dev= -0.003 sig.= 0.000
B     16 GLN N   . - B     16 GLN O   . mod.= 3.475 id.= 3.477 dev=  0.002 sig.= 0.000
B     16 GLN N   . - B     17 ASN C   . mod.= 4.760 id.= 4.838 dev=  0.078 sig.= 0.000
B     16 GLN N   . - B     18 THR CA  . mod.= 5.413 id.= 5.416 dev=  0.003 sig.= 0.000
B     16 GLN N   . - B     19 TYR N   . mod.= 4.920 id.= 4.923 dev=  0.002 sig.= 0.000
B     16 GLN N   . - B     19 TYR CA  . mod.= 5.538 id.= 5.541 dev=  0.003 sig.= 0.000
B     16 GLN N   . - B     20 THR CA  . mod.= 5.538 id.= 5.541 dev=  0.002 sig.= 0.000
B     16 GLN N   . - B     20 THR C   . mod.= 5.921 id.= 5.918 dev= -0.003 sig.= 0.000
B     16 GLN CA  . - B     17 ASN CA  . mod.= 3.817 id.= 3.819 dev=  0.003 sig.= 0.000
B     16 GLN CA  . - B     17 ASN C   . mod.= 4.623 id.= 4.602 dev= -0.021 sig.= 0.000
B     16 GLN CA  . - B     17 ASN O   . mod.= 5.852 id.= 5.773 dev= -0.078 sig.= 0.000
B     16 GLN CA  . - B     18 THR N   . mod.= 4.325 id.= 4.332 dev=  0.007 sig.= 0.000
B     16 GLN CA  . - B     18 THR CA  . mod.= 5.531 id.= 5.536 dev=  0.005 sig.= 0.000
B     16 GLN CA  . - B     18 THR C   . mod.= 5.556 id.= 5.561 dev=  0.005 sig.= 0.000
B     16 GLN CA  . - B     19 TYR N   . mod.= 4.622 id.= 4.627 dev=  0.004 sig.= 0.000
B     16 GLN CA  . - B     19 TYR C   . mod.= 5.560 id.= 5.557 dev= -0.003 sig.= 0.000
B     16 GLN CA  . - B     20 THR N   . mod.= 5.044 id.= 5.040 dev= -0.004 sig.= 0.000
B     16 GLN CA  . - B     20 THR CA  . mod.= 5.942 id.= 5.937 dev= -0.006 sig.= 0.000
B     16 GLN CA  . - B     21 ASP N   . mod.= 5.374 id.= 5.363 dev= -0.011 sig.= 0.000
B     16 GLN C   . - B     17 ASN C   . mod.= 3.352 id.= 3.259 dev= -0.093 sig.= 0.000
B     16 GLN C   . - B     17 ASN O   . mod.= 4.582 id.= 4.364 dev= -0.218 sig.= 0.000
B     16 GLN C   . - B     18 THR N   . mod.= 3.254 id.= 3.256 dev=  0.002 sig.= 0.000
B     16 GLN C   . - B     18 THR CA  . mod.= 4.555 id.= 4.558 dev=  0.002 sig.= 0.000
B     16 GLN C   . - B     18 THR C   . mod.= 4.711 id.= 4.715 dev=  0.005 sig.= 0.000
B     16 GLN C   . - B     18 THR O   . mod.= 5.886 id.= 5.889 dev=  0.003 sig.= 0.000
B     16 GLN O   . - B     17 ASN CA  . mod.= 2.829 id.= 2.820 dev= -0.009 sig.= 0.000
B     16 GLN O   . - B     17 ASN C   . mod.= 3.472 id.= 3.258 dev= -0.214 sig.= 0.000
B     16 GLN O   . - B     17 ASN O   . mod.= 4.669 id.= 4.193 dev= -0.475 sig.= 0.000
B     16 GLN O   . - B     18 THR C   . mod.= 4.182 id.= 4.186 dev=  0.004 sig.= 0.000
B     16 GLN O   . - B     19 TYR C   . mod.= 4.678 id.= 4.676 dev= -0.002 sig.= 0.000
B     16 GLN O   . - B     19 TYR O   . mod.= 5.772 id.= 5.769 dev= -0.004 sig.= 0.000
B     16 GLN O   . - B     21 ASP N   . mod.= 5.827 id.= 5.821 dev= -0.005 sig.= 0.000
B     17 ASN N   . - B     18 THR C   . mod.= 4.866 id.= 4.868 dev=  0.002 sig.= 0.000
B     17 ASN CA  . - B     18 THR CA  . mod.= 3.834 id.= 3.843 dev=  0.009 sig.= 0.000
B     17 ASN CA  . - B     18 THR C   . mod.= 4.667 id.= 4.674 dev=  0.007 sig.= 0.000
B     17 ASN CA  . - B     18 THR O   . mod.= 5.866 id.= 5.873 dev=  0.007 sig.= 0.000
B     17 ASN CA  . - B     19 TYR N   . mod.= 4.340 id.= 4.338 dev= -0.002 sig.= 0.000
B     17 ASN CA  . - B     19 TYR CA  . mod.= 5.520 id.= 5.517 dev= -0.003 sig.= 0.000
B     17 ASN C   . - B     18 THR C   . mod.= 3.564 id.= 3.446 dev= -0.118 sig.= 0.000
B     17 ASN C   . - B     18 THR O   . mod.= 4.679 id.= 4.577 dev= -0.102 sig.= 0.000
B     17 ASN C   . - B     19 TYR N   . mod.= 3.665 id.= 3.467 dev= -0.198 sig.= 0.000
B     17 ASN C   . - B     19 TYR CA  . mod.= 5.061 id.= 4.835 dev= -0.226 sig.= 0.000
B     17 ASN C   . - B     19 TYR C   . mod.= 6.084 id.= 5.924 dev= -0.160 sig.= 0.000
B     17 ASN C   . - B     20 THR N   . mod.= 5.862 id.= 5.780 dev= -0.082 sig.= 0.000
B     17 ASN O   . - B     18 THR C   . mod.= 4.105 id.= 3.806 dev= -0.298 sig.= 0.000
B     17 ASN O   . - B     18 THR O   . mod.= 5.048 id.= 4.780 dev= -0.267 sig.= 0.000
B     17 ASN O   . - B     19 TYR N   . mod.= 4.514 id.= 4.052 dev= -0.462 sig.= 0.000
B     17 ASN O   . - B     19 TYR CA  . mod.= 5.943 id.= 5.386 dev= -0.557 sig.= 0.000
B     17 ASN O   . - B    272 ILE C   . mod.= 5.861 id.= 5.884 dev=  0.024 sig.= 0.000
B     17 ASN O   . - B    272 ILE O   . mod.= 4.655 id.= 4.660 dev=  0.005 sig.= 0.000
B     18 THR N   . - B     19 TYR N   . mod.= 2.613 id.= 2.609 dev= -0.004 sig.= 0.000
B     18 THR N   . - B    272 ILE C   . mod.= 5.983 id.= 5.985 dev=  0.002 sig.= 0.000
B     18 THR CA  . - B    272 ILE CA  . mod.= 5.770 id.= 5.775 dev=  0.005 sig.= 0.000
B     18 THR CA  . - B    273 ASN N   . mod.= 5.208 id.= 5.211 dev=  0.003 sig.= 0.000
B     18 THR CA  . - B    273 ASN C   . mod.= 5.438 id.= 5.441 dev=  0.003 sig.= 0.000
B     18 THR CA  . - B    274 SER N   . mod.= 4.818 id.= 4.823 dev=  0.005 sig.= 0.000
B     18 THR CA  . - B    274 SER CA  . mod.= 5.786 id.= 5.792 dev=  0.006 sig.= 0.000
B     18 THR C   . - B     20 THR CA  . mod.= 4.458 id.= 4.454 dev= -0.004 sig.= 0.000
B     18 THR C   . - B     20 THR C   . mod.= 5.726 id.= 5.728 dev=  0.002 sig.= 0.000
B     18 THR C   . - B    272 ILE C   . mod.= 4.923 id.= 4.920 dev= -0.003 sig.= 0.000
B     18 THR C   . - B    272 ILE O   . mod.= 4.134 id.= 4.132 dev= -0.002 sig.= 0.000
B     18 THR C   . - B    274 SER C   . mod.= 5.639 id.= 5.642 dev=  0.002 sig.= 0.000
B     18 THR O   . - B     20 THR CA  . mod.= 4.350 id.= 4.347 dev= -0.002 sig.= 0.000
B     18 THR O   . - B     20 THR C   . mod.= 5.684 id.= 5.689 dev=  0.005 sig.= 0.000
B     18 THR O   . - B    272 ILE C   . mod.= 4.340 id.= 4.337 dev= -0.004 sig.= 0.000
B     18 THR O   . - B    272 ILE O   . mod.= 3.823 id.= 3.820 dev= -0.002 sig.= 0.000
B     18 THR O   . - B    273 ASN CA  . mod.= 3.435 id.= 3.433 dev= -0.002 sig.= 0.000
B     18 THR O   . - B    274 SER N   . mod.= 2.742 id.= 2.744 dev=  0.002 sig.= 0.000
B     18 THR O   . - B    274 SER C   . mod.= 4.484 id.= 4.488 dev=  0.004 sig.= 0.000
B     18 THR O   . - B    274 SER O   . mod.= 5.684 id.= 5.688 dev=  0.004 sig.= 0.000
B     18 THR O   . - B    275 TYR N   . mod.= 4.190 id.= 4.193 dev=  0.003 sig.= 0.000
B     18 THR O   . - B    275 TYR CA  . mod.= 5.435 id.= 5.438 dev=  0.003 sig.= 0.000
B     19 TYR N   . - B     19 TYR O   . mod.= 3.614 id.= 3.617 dev=  0.003 sig.= 0.000
B     19 TYR N   . - B     20 THR N   . mod.= 2.771 id.= 2.773 dev=  0.002 sig.= 0.000
B     19 TYR N   . - B     20 THR C   . mod.= 5.205 id.= 5.210 dev=  0.005 sig.= 0.000
B     19 TYR N   . - B     21 ASP N   . mod.= 5.120 id.= 5.123 dev=  0.002 sig.= 0.000
B     19 TYR N   . - B    272 ILE O   . mod.= 5.377 id.= 5.373 dev= -0.003 sig.= 0.000
B     19 TYR N   . - B    273 ASN CA  . mod.= 5.394 id.= 5.391 dev= -0.002 sig.= 0.000
B     19 TYR CA  . - B     20 THR C   . mod.= 4.549 id.= 4.553 dev=  0.004 sig.= 0.000
B     19 TYR CA  . - B     21 ASP CA  . mod.= 5.473 id.= 5.469 dev= -0.005 sig.= 0.000
B     19 TYR CA  . - B     21 ASP C   . mod.= 5.680 id.= 5.675 dev= -0.004 sig.= 0.000
B     19 TYR CA  . - B     22 TYR N   . mod.= 4.794 id.= 4.790 dev= -0.004 sig.= 0.000
B     19 TYR CA  . - B    273 ASN C   . mod.= 5.911 id.= 5.914 dev=  0.003 sig.= 0.000
B     19 TYR C   . - B     20 THR C   . mod.= 3.165 id.= 3.167 dev=  0.002 sig.= 0.000
B     19 TYR C   . - B     20 THR O   . mod.= 4.064 id.= 4.062 dev= -0.002 sig.= 0.000
B     19 TYR C   . - B     21 ASP CA  . mod.= 4.458 id.= 4.452 dev= -0.006 sig.= 0.000
B     19 TYR C   . - B     21 ASP C   . mod.= 4.651 id.= 4.649 dev= -0.002 sig.= 0.000
B     19 TYR C   . - B    274 SER CA  . mod.= 4.954 id.= 4.949 dev= -0.005 sig.= 0.000
B     19 TYR O   . - B     20 THR CA  . mod.= 2.879 id.= 2.874 dev= -0.005 sig.= 0.000
B     19 TYR O   . - B     20 THR C   . mod.= 3.225 id.= 3.230 dev=  0.004 sig.= 0.000
B     19 TYR O   . - B     21 ASP CA  . mod.= 4.457 id.= 4.453 dev= -0.004 sig.= 0.000
B     19 TYR O   . - B     21 ASP C   . mod.= 4.260 id.= 4.257 dev= -0.002 sig.= 0.000
B     19 TYR O   . - B     22 TYR N   . mod.= 3.229 id.= 3.227 dev= -0.003 sig.= 0.000
B     19 TYR O   . - B     22 TYR O   . mod.= 5.030 id.= 5.026 dev= -0.004 sig.= 0.000
B     19 TYR O   . - B    274 SER CA  . mod.= 4.764 id.= 4.758 dev= -0.006 sig.= 0.000
B     20 THR N   . - B     21 ASP CA  . mod.= 4.141 id.= 4.135 dev= -0.006 sig.= 0.000
B     20 THR N   . - B    274 SER CA  . mod.= 5.095 id.= 5.091 dev= -0.004 sig.= 0.000
B     20 THR N   . - B    275 TYR CA  . mod.= 5.890 id.= 5.893 dev=  0.003 sig.= 0.000
B     20 THR CA  . - B     21 ASP CA  . mod.= 3.791 id.= 3.784 dev= -0.007 sig.= 0.000
B     20 THR CA  . - B     22 TYR CA  . mod.= 5.317 id.= 5.313 dev= -0.004 sig.= 0.000
B     20 THR CA  . - B     22 TYR C   . mod.= 5.222 id.= 5.218 dev= -0.004 sig.= 0.000
B     20 THR CA  . - B     23 ALA N   . mod.= 4.155 id.= 4.152 dev= -0.003 sig.= 0.000
B     20 THR CA  . - B     23 ALA CA  . mod.= 4.589 id.= 4.587 dev= -0.002 sig.= 0.000
B     20 THR CA  . - B     23 ALA C   . mod.= 5.323 id.= 5.320 dev= -0.003 sig.= 0.000
B     20 THR CA  . - B    274 SER N   . mod.= 5.470 id.= 5.467 dev= -0.003 sig.= 0.000
B     20 THR CA  . - B    274 SER CA  . mod.= 5.058 id.= 5.051 dev= -0.007 sig.= 0.000
B     20 THR CA  . - B    275 TYR N   . mod.= 5.250 id.= 5.247 dev= -0.002 sig.= 0.000
B     20 THR C   . - B     21 ASP C   . mod.= 3.144 id.= 3.146 dev=  0.002 sig.= 0.000
B     20 THR C   . - B     21 ASP O   . mod.= 4.079 id.= 4.076 dev= -0.003 sig.= 0.000
B     20 THR C   . - B     23 ALA N   . mod.= 3.512 id.= 3.515 dev=  0.003 sig.= 0.000
B     20 THR C   . - B     23 ALA CA  . mod.= 4.141 id.= 4.145 dev=  0.004 sig.= 0.000
B     20 THR C   . - B     24 TRP CA  . mod.= 5.008 id.= 5.006 dev= -0.002 sig.= 0.000
B     20 THR O   . - B     21 ASP CA  . mod.= 2.800 id.= 2.791 dev= -0.009 sig.= 0.000
B     20 THR O   . - B     21 ASP C   . mod.= 3.139 id.= 3.141 dev=  0.002 sig.= 0.000
B     20 THR O   . - B     21 ASP O   . mod.= 3.773 id.= 3.770 dev= -0.003 sig.= 0.000
B     20 THR O   . - B     22 TYR CA  . mod.= 4.323 id.= 4.320 dev= -0.003 sig.= 0.000
B     20 THR O   . - B     24 TRP C   . mod.= 5.122 id.= 5.120 dev= -0.002 sig.= 0.000
B     21 ASP N   . - B     21 ASP O   . mod.= 3.584 id.= 3.581 dev= -0.002 sig.= 0.000
B     21 ASP N   . - B     24 TRP N   . mod.= 4.770 id.= 4.768 dev= -0.002 sig.= 0.000
B     21 ASP N   . - B     24 TRP CA  . mod.= 5.619 id.= 5.615 dev= -0.003 sig.= 0.000
B     21 ASP CA  . - B     22 TYR CA  . mod.= 3.843 id.= 3.847 dev=  0.005 sig.= 0.000
B     21 ASP CA  . - B     22 TYR C   . mod.= 4.408 id.= 4.410 dev=  0.002 sig.= 0.000
B     21 ASP CA  . - B     22 TYR O   . mod.= 5.355 id.= 5.360 dev=  0.005 sig.= 0.000
B     21 ASP CA  . - B     24 TRP CA  . mod.= 5.195 id.= 5.192 dev= -0.003 sig.= 0.000
B     21 ASP C   . - B     23 ALA C   . mod.= 4.821 id.= 4.826 dev=  0.004 sig.= 0.000
B     21 ASP C   . - B     24 TRP N   . mod.= 4.020 id.= 4.024 dev=  0.004 sig.= 0.000
B     21 ASP C   . - B     24 TRP CA  . mod.= 4.767 id.= 4.771 dev=  0.004 sig.= 0.000
B     21 ASP O   . - B     22 TYR C   . mod.= 3.269 id.= 3.272 dev=  0.003 sig.= 0.000
B     21 ASP O   . - B     22 TYR O   . mod.= 3.784 id.= 3.791 dev=  0.007 sig.= 0.000
B     21 ASP O   . - B     23 ALA N   . mod.= 3.757 id.= 3.760 dev=  0.002 sig.= 0.000
B     21 ASP O   . - B     23 ALA CA  . mod.= 4.834 id.= 4.837 dev=  0.002 sig.= 0.000
B     21 ASP O   . - B     23 ALA C   . mod.= 4.757 id.= 4.761 dev=  0.004 sig.= 0.000
B     21 ASP O   . - B     24 TRP O   . mod.= 5.577 id.= 5.573 dev= -0.003 sig.= 0.000
B     22 TYR CA  . - B     23 ALA CA  . mod.= 3.833 id.= 3.831 dev= -0.003 sig.= 0.000
B     22 TYR CA  . - B     23 ALA O   . mod.= 5.486 id.= 5.484 dev= -0.002 sig.= 0.000
B     22 TYR CA  . - B     24 TRP N   . mod.= 4.381 id.= 4.379 dev= -0.002 sig.= 0.000
B     22 TYR CA  . - B     24 TRP CA  . mod.= 5.481 id.= 5.478 dev= -0.002 sig.= 0.000
B     22 TYR CA  . - B     24 TRP C   . mod.= 5.719 id.= 5.716 dev= -0.003 sig.= 0.000
B     22 TYR CA  . - B     25 ASP N   . mod.= 4.892 id.= 4.889 dev= -0.003 sig.= 0.000
B     22 TYR CA  . - B     25 ASP CA  . mod.= 5.650 id.= 5.645 dev= -0.005 sig.= 0.000
B     22 TYR C   . - B     23 ALA C   . mod.= 3.168 id.= 3.170 dev=  0.003 sig.= 0.000
B     22 TYR C   . - B     24 TRP O   . mod.= 5.969 id.= 5.967 dev= -0.002 sig.= 0.000
B     22 TYR C   . - B    275 TYR N   . mod.= 5.612 id.= 5.609 dev= -0.003 sig.= 0.000
B     22 TYR O   . - B     23 ALA CA  . mod.= 2.836 id.= 2.831 dev= -0.005 sig.= 0.000
B     22 TYR O   . - B     23 ALA O   . mod.= 3.680 id.= 3.677 dev= -0.002 sig.= 0.000
B     22 TYR O   . - B     24 TRP CA  . mod.= 4.434 id.= 4.436 dev=  0.002 sig.= 0.000
B     22 TYR O   . - B     24 TRP C   . mod.= 4.325 id.= 4.327 dev=  0.003 sig.= 0.000
B     22 TYR O   . - B     25 ASP N   . mod.= 3.290 id.= 3.293 dev=  0.003 sig.= 0.000
B     22 TYR O   . - B    275 TYR CA  . mod.= 5.470 id.= 5.465 dev= -0.005 sig.= 0.000
B     23 ALA N   . - B    274 SER C   . mod.= 5.219 id.= 5.217 dev= -0.002 sig.= 0.000
B     23 ALA N   . - B    274 SER O   . mod.= 5.464 id.= 5.460 dev= -0.003 sig.= 0.000
B     23 ALA N   . - B    275 TYR CA  . mod.= 4.379 id.= 4.382 dev=  0.003 sig.= 0.000
B     23 ALA N   . - B    275 TYR O   . mod.= 5.949 id.= 5.952 dev=  0.003 sig.= 0.000
B     23 ALA CA  . - B     24 TRP CA  . mod.= 3.846 id.= 3.848 dev=  0.002 sig.= 0.000
B     23 ALA CA  . - B     26 VAL CA  . mod.= 5.432 id.= 5.434 dev=  0.002 sig.= 0.000
B     23 ALA CA  . - B     26 VAL C   . mod.= 5.996 id.= 6.000 dev=  0.004 sig.= 0.000
B     23 ALA CA  . - B     27 THR O   . mod.= 5.163 id.= 5.166 dev=  0.002 sig.= 0.000
B     23 ALA CA  . - B    274 SER CA  . mod.= 5.655 id.= 5.649 dev= -0.006 sig.= 0.000
B     23 ALA CA  . - B    274 SER O   . mod.= 4.655 id.= 4.652 dev= -0.002 sig.= 0.000
B     23 ALA CA  . - B    275 TYR CA  . mod.= 4.217 id.= 4.223 dev=  0.005 sig.= 0.000
B     23 ALA CA  . - B    275 TYR C   . mod.= 5.376 id.= 5.379 dev=  0.003 sig.= 0.000
B     23 ALA CA  . - B    275 TYR O   . mod.= 5.412 id.= 5.417 dev=  0.005 sig.= 0.000
B     23 ALA C   . - B     24 TRP C   . mod.= 3.217 id.= 3.219 dev=  0.002 sig.= 0.000
B     23 ALA C   . - B     25 ASP N   . mod.= 3.207 id.= 3.209 dev=  0.002 sig.= 0.000
B     23 ALA C   . - B     25 ASP CA  . mod.= 4.444 id.= 4.447 dev=  0.003 sig.= 0.000
B     23 ALA C   . - B     26 VAL C   . mod.= 4.882 id.= 4.884 dev=  0.002 sig.= 0.000
B     23 ALA C   . - B    275 TYR N   . mod.= 5.997 id.= 5.999 dev=  0.002 sig.= 0.000
B     23 ALA C   . - B    275 TYR CA  . mod.= 5.675 id.= 5.683 dev=  0.007 sig.= 0.000
B     23 ALA O   . - B     26 VAL C   . mod.= 3.695 id.= 3.697 dev=  0.002 sig.= 0.000
B     23 ALA O   . - B     26 VAL O   . mod.= 4.899 id.= 4.895 dev= -0.004 sig.= 0.000
B     23 ALA O   . - B     27 THR CA  . mod.= 4.013 id.= 4.016 dev=  0.003 sig.= 0.000
B     23 ALA O   . - B     27 THR C   . mod.= 4.044 id.= 4.046 dev=  0.002 sig.= 0.000
B     24 TRP N   . - B     24 TRP O   . mod.= 3.619 id.= 3.617 dev= -0.002 sig.= 0.000
B     24 TRP CA  . - B     25 ASP CA  . mod.= 3.854 id.= 3.856 dev=  0.002 sig.= 0.000
B     24 TRP C   . - B     26 VAL N   . mod.= 3.230 id.= 3.234 dev=  0.004 sig.= 0.000
B     24 TRP C   . - B     27 THR N   . mod.= 4.027 id.= 4.030 dev=  0.002 sig.= 0.000
B     24 TRP C   . - B     28 LYS CA  . mod.= 5.459 id.= 5.456 dev= -0.003 sig.= 0.000
B     24 TRP O   . - B     25 ASP CA  . mod.= 2.815 id.= 2.817 dev=  0.002 sig.= 0.000
B     24 TRP O   . - B     26 VAL N   . mod.= 3.524 id.= 3.527 dev=  0.002 sig.= 0.000
B     24 TRP O   . - B     26 VAL C   . mod.= 4.422 id.= 4.420 dev= -0.003 sig.= 0.000
B     24 TRP O   . - B     27 THR CA  . mod.= 4.409 id.= 4.406 dev= -0.004 sig.= 0.000
B     24 TRP O   . - B     27 THR C   . mod.= 4.038 id.= 4.034 dev= -0.004 sig.= 0.000
B     24 TRP O   . - B     28 LYS N   . mod.= 4.519 id.= 4.517 dev= -0.002 sig.= 0.000
B     24 TRP O   . - B     28 LYS CA  . mod.= 4.919 id.= 4.916 dev= -0.003 sig.= 0.000
B     25 ASP N   . - B     25 ASP O   . mod.= 3.576 id.= 3.574 dev= -0.002 sig.= 0.000
B     25 ASP N   . - B     26 VAL O   . mod.= 5.681 id.= 5.678 dev= -0.002 sig.= 0.000
B     25 ASP N   . - B     27 THR CA  . mod.= 5.450 id.= 5.448 dev= -0.002 sig.= 0.000
B     25 ASP N   . - B     27 THR C   . mod.= 5.364 id.= 5.362 dev= -0.002 sig.= 0.000
B     25 ASP CA  . - B     27 THR N   . mod.= 4.750 id.= 4.752 dev=  0.002 sig.= 0.000
B     26 VAL N   . - B     26 VAL O   . mod.= 3.456 id.= 3.453 dev= -0.003 sig.= 0.000
B     26 VAL CA  . - B     27 THR CA  . mod.= 3.842 id.= 3.839 dev= -0.003 sig.= 0.000
B     26 VAL CA  . - B     27 THR C   . mod.= 4.911 id.= 4.908 dev= -0.003 sig.= 0.000
B     26 VAL CA  . - B     28 LYS N   . mod.= 5.996 id.= 5.992 dev= -0.004 sig.= 0.000
B     26 VAL C   . - B     28 LYS N   . mod.= 4.710 id.= 4.708 dev= -0.002 sig.= 0.000
B     27 THR CA  . - B     28 LYS CA  . mod.= 3.834 id.= 3.831 dev= -0.002 sig.= 0.000
B     27 THR CA  . - B     28 LYS O   . mod.= 5.917 id.= 5.914 dev= -0.003 sig.= 0.000
B     27 THR CA  . - B    238 LEU O   . mod.= 5.702 id.= 5.700 dev= -0.002 sig.= 0.000
B     27 THR C   . - B     28 LYS O   . mod.= 4.624 id.= 4.621 dev= -0.002 sig.= 0.000
B     27 THR C   . - B    238 LEU O   . mod.= 5.826 id.= 5.821 dev= -0.005 sig.= 0.000
B     27 THR O   . - B     28 LYS CA  . mod.= 2.773 id.= 2.776 dev=  0.002 sig.= 0.000
B     27 THR O   . - B    238 LEU CA  . mod.= 5.608 id.= 5.605 dev= -0.003 sig.= 0.000
B     28 LYS N   . - B     29 GLY N   . mod.= 2.613 id.= 2.610 dev= -0.003 sig.= 0.000
B     28 LYS N   . - B     29 GLY CA  . mod.= 4.040 id.= 4.038 dev= -0.002 sig.= 0.000
B     28 LYS N   . - B     30 SER N   . mod.= 5.980 id.= 5.978 dev= -0.002 sig.= 0.000
B     28 LYS CA  . - B     29 GLY CA  . mod.= 3.794 id.= 3.791 dev= -0.002 sig.= 0.000
B     28 LYS CA  . - B     29 GLY C   . mod.= 4.506 id.= 4.503 dev= -0.002 sig.= 0.000
B     28 LYS CA  . - B     30 SER N   . mod.= 5.773 id.= 5.770 dev= -0.003 sig.= 0.000
B     28 LYS CA  . - B     95 PRO C   . mod.= 5.668 id.= 5.666 dev= -0.002 sig.= 0.000
B     28 LYS CA  . - B     96 ASN CA  . mod.= 5.846 id.= 5.843 dev= -0.003 sig.= 0.000
B     28 LYS C   . - B     29 GLY O   . mod.= 3.266 id.= 3.269 dev=  0.003 sig.= 0.000
B     28 LYS C   . - B     94 ALA O   . mod.= 5.652 id.= 5.650 dev= -0.002 sig.= 0.000
B     28 LYS C   . - B    238 LEU CA  . mod.= 5.463 id.= 5.457 dev= -0.006 sig.= 0.000
B     28 LYS O   . - B     29 GLY CA  . mod.= 2.795 id.= 2.792 dev= -0.003 sig.= 0.000
B     28 LYS O   . - B     95 PRO O   . mod.= 4.854 id.= 4.850 dev= -0.003 sig.= 0.000
B     28 LYS O   . - B     96 ASN O   . mod.= 5.665 id.= 5.667 dev=  0.002 sig.= 0.000
B     28 LYS O   . - B     97 THR CA  . mod.= 5.615 id.= 5.612 dev= -0.003 sig.= 0.000
B     29 GLY N   . - B     95 PRO C   . mod.= 5.885 id.= 5.882 dev= -0.003 sig.= 0.000
B     29 GLY N   . - B     96 ASN CA  . mod.= 5.333 id.= 5.330 dev= -0.003 sig.= 0.000
B     29 GLY N   . - B    238 LEU N   . mod.= 5.491 id.= 5.493 dev=  0.002 sig.= 0.000
B     29 GLY N   . - B    238 LEU O   . mod.= 5.127 id.= 5.121 dev= -0.005 sig.= 0.000
B     29 GLY CA  . - B     94 ALA O   . mod.= 5.968 id.= 5.965 dev= -0.003 sig.= 0.000
B     29 GLY CA  . - B     95 PRO C   . mod.= 5.948 id.= 5.946 dev= -0.002 sig.= 0.000
B     29 GLY CA  . - B     96 ASN CA  . mod.= 5.013 id.= 5.011 dev= -0.002 sig.= 0.000
B     29 GLY CA  . - B     97 THR CA  . mod.= 5.428 id.= 5.425 dev= -0.003 sig.= 0.000
B     29 GLY CA  . - B    238 LEU O   . mod.= 4.919 id.= 4.913 dev= -0.006 sig.= 0.000
B     29 GLY CA  . - B    241 SER N   . mod.= 5.451 id.= 5.447 dev= -0.004 sig.= 0.000
B     29 GLY CA  . - B    241 SER C   . mod.= 5.981 id.= 5.971 dev= -0.010 sig.= 0.000
B     29 GLY C   . - B     96 ASN CA  . mod.= 4.607 id.= 4.604 dev= -0.003 sig.= 0.000
B     29 GLY C   . - B    237 ALA C   . mod.= 5.994 id.= 5.997 dev=  0.003 sig.= 0.000
B     29 GLY C   . - B    237 ALA O   . mod.= 5.242 id.= 5.244 dev=  0.002 sig.= 0.000
B     29 GLY C   . - B    238 LEU CA  . mod.= 5.767 id.= 5.769 dev=  0.003 sig.= 0.000
B     29 GLY C   . - B    241 SER C   . mod.= 5.953 id.= 5.944 dev= -0.009 sig.= 0.000
B     30 SER N   . - B     96 ASN CA  . mod.= 4.751 id.= 4.748 dev= -0.002 sig.= 0.000
B     30 SER N   . - B    237 ALA C   . mod.= 5.854 id.= 5.856 dev=  0.003 sig.= 0.000
B     30 SER N   . - B    237 ALA O   . mod.= 4.997 id.= 5.000 dev=  0.003 sig.= 0.000
B     30 SER N   . - B    241 SER CA  . mod.= 4.793 id.= 4.791 dev= -0.002 sig.= 0.000
B     30 SER N   . - B    241 SER C   . mod.= 5.930 id.= 5.921 dev= -0.008 sig.= 0.000
B     30 SER CA  . - B     33 GLN N   . mod.= 4.882 id.= 4.879 dev= -0.003 sig.= 0.000
B     30 SER CA  . - B     33 GLN CA  . mod.= 5.663 id.= 5.670 dev=  0.007 sig.= 0.000
B     30 SER CA  . - B    241 SER CA  . mod.= 5.341 id.= 5.336 dev= -0.005 sig.= 0.000
B     30 SER C   . - B     33 GLN CA  . mod.= 4.778 id.= 4.786 dev=  0.008 sig.= 0.000
B     30 SER C   . - B     33 GLN C   . mod.= 5.203 id.= 5.200 dev= -0.003 sig.= 0.000
B     30 SER O   . - B     31 SER CA  . mod.= 2.803 id.= 2.801 dev= -0.002 sig.= 0.000
B     30 SER O   . - B     33 GLN CA  . mod.= 3.758 id.= 3.768 dev=  0.009 sig.= 0.000
B     30 SER O   . - B     33 GLN C   . mod.= 4.040 id.= 4.036 dev= -0.004 sig.= 0.000
B     30 SER O   . - B     34 GLU CA  . mod.= 5.997 id.= 5.991 dev= -0.006 sig.= 0.000
B     30 SER O   . - B     98 ARG CA  . mod.= 5.686 id.= 5.683 dev= -0.003 sig.= 0.000
B     31 SER N   . - B     33 GLN CA  . mod.= 5.417 id.= 5.421 dev=  0.004 sig.= 0.000
B     31 SER CA  . - B     32 GLY C   . mod.= 4.469 id.= 4.467 dev= -0.002 sig.= 0.000
B     31 SER CA  . - B     96 ASN CA  . mod.= 5.061 id.= 5.063 dev=  0.002 sig.= 0.000
B     31 SER CA  . - B     96 ASN C   . mod.= 4.146 id.= 4.148 dev=  0.002 sig.= 0.000
B     31 SER CA  . - B     97 THR O   . mod.= 5.919 id.= 5.916 dev= -0.003 sig.= 0.000
B     31 SER C   . - B     32 GLY O   . mod.= 4.289 id.= 4.292 dev=  0.003 sig.= 0.000
B     31 SER C   . - B     33 GLN N   . mod.= 3.173 id.= 3.176 dev=  0.003 sig.= 0.000
B     31 SER C   . - B     33 GLN CA  . mod.= 4.479 id.= 4.477 dev= -0.002 sig.= 0.000
B     31 SER C   . - B     33 GLN C   . mod.= 4.755 id.= 4.759 dev=  0.005 sig.= 0.000
B     31 SER C   . - B     33 GLN O   . mod.= 4.113 id.= 4.116 dev=  0.003 sig.= 0.000
B     31 SER C   . - B     97 THR CA  . mod.= 5.441 id.= 5.443 dev=  0.003 sig.= 0.000
B     31 SER O   . - B     33 GLN CA  . mod.= 4.554 id.= 4.546 dev= -0.008 sig.= 0.000
B     31 SER O   . - B     33 GLN C   . mod.= 4.564 id.= 4.568 dev=  0.004 sig.= 0.000
B     31 SER O   . - B     97 THR CA  . mod.= 5.723 id.= 5.726 dev=  0.002 sig.= 0.000
B     32 GLY N   . - B     32 GLY O   . mod.= 3.549 id.= 3.547 dev= -0.002 sig.= 0.000
B     32 GLY N   . - B     33 GLN CA  . mod.= 4.074 id.= 4.068 dev= -0.006 sig.= 0.000
B     32 GLY CA  . - B     33 GLN CA  . mod.= 3.786 id.= 3.779 dev= -0.007 sig.= 0.000
B     32 GLY CA  . - B     33 GLN C   . mod.= 4.685 id.= 4.690 dev=  0.004 sig.= 0.000
B     32 GLY CA  . - B     34 GLU N   . mod.= 5.847 id.= 5.849 dev=  0.002 sig.= 0.000
B     32 GLY O   . - B     33 GLN CA  . mod.= 2.703 id.= 2.687 dev= -0.016 sig.= 0.000
B     32 GLY O   . - B     33 GLN C   . mod.= 3.735 id.= 3.738 dev=  0.004 sig.= 0.000
B     32 GLY O   . - B     34 GLU CA  . mod.= 5.724 id.= 5.728 dev=  0.004 sig.= 0.000
B     33 GLN CA  . - B     34 GLU CA  . mod.= 3.767 id.= 3.763 dev= -0.003 sig.= 0.000
B     33 GLN CA  . - B     34 GLU C   . mod.= 4.841 id.= 4.843 dev=  0.003 sig.= 0.000
B     33 GLN CA  . - B     35 ILE N   . mod.= 5.880 id.= 5.882 dev=  0.002 sig.= 0.000
B     33 GLN CA  . - B     97 THR CA  . mod.= 5.723 id.= 5.731 dev=  0.008 sig.= 0.000
B     33 GLN C   . - B     34 GLU O   . mod.= 4.115 id.= 4.110 dev= -0.005 sig.= 0.000
B     33 GLN C   . - B     35 ILE CA  . mod.= 5.884 id.= 5.891 dev=  0.007 sig.= 0.000
B     33 GLN C   . - B     97 THR CA  . mod.= 5.024 id.= 5.019 dev= -0.005 sig.= 0.000
B     33 GLN C   . - B     97 THR C   . mod.= 5.092 id.= 5.090 dev= -0.002 sig.= 0.000
B     33 GLN C   . - B     98 ARG O   . mod.= 4.550 id.= 4.552 dev=  0.002 sig.= 0.000
B     33 GLN C   . - B    129 GLU N   . mod.= 5.958 id.= 5.955 dev= -0.003 sig.= 0.000
B     33 GLN O   . - B     34 GLU O   . mod.= 4.813 id.= 4.809 dev= -0.004 sig.= 0.000
B     33 GLN O   . - B     98 ARG CA  . mod.= 3.745 id.= 3.742 dev= -0.003 sig.= 0.000
B     33 GLN O   . - B     98 ARG O   . mod.= 3.896 id.= 3.898 dev=  0.002 sig.= 0.000
B     33 GLN O   . - B     99 ILE N   . mod.= 5.314 id.= 5.312 dev= -0.003 sig.= 0.000
B     34 GLU N   . - B     35 ILE CA  . mod.= 4.865 id.= 4.875 dev=  0.011 sig.= 0.000
B     34 GLU N   . - B     97 THR CA  . mod.= 5.766 id.= 5.764 dev= -0.003 sig.= 0.000
B     34 GLU N   . - B     98 ARG CA  . mod.= 5.261 id.= 5.257 dev= -0.004 sig.= 0.000
B     34 GLU N   . - B     98 ARG C   . mod.= 5.048 id.= 5.044 dev= -0.003 sig.= 0.000
B     34 GLU N   . - B    127 GLY O   . mod.= 5.790 id.= 5.779 dev= -0.011 sig.= 0.000
B     34 GLU N   . - B    128 ALA CA  . mod.= 5.477 id.= 5.471 dev= -0.005 sig.= 0.000
B     34 GLU N   . - B    129 GLU CA  . mod.= 5.473 id.= 5.468 dev= -0.005 sig.= 0.000
B     34 GLU CA  . - B     35 ILE CA  . mod.= 3.745 id.= 3.753 dev=  0.008 sig.= 0.000
B     34 GLU CA  . - B     97 THR CA  . mod.= 5.714 id.= 5.705 dev= -0.010 sig.= 0.000
B     34 GLU CA  . - B     97 THR C   . mod.= 5.317 id.= 5.311 dev= -0.006 sig.= 0.000
B     34 GLU CA  . - B     98 ARG N   . mod.= 4.418 id.= 4.415 dev= -0.003 sig.= 0.000
B     34 GLU CA  . - B     98 ARG CA  . mod.= 4.553 id.= 4.550 dev= -0.003 sig.= 0.000
B     34 GLU CA  . - B    100 LEU N   . mod.= 5.213 id.= 5.216 dev=  0.003 sig.= 0.000
B     34 GLU CA  . - B    129 GLU N   . mod.= 5.182 id.= 5.179 dev= -0.003 sig.= 0.000
B     34 GLU CA  . - B    129 GLU CA  . mod.= 5.988 id.= 5.979 dev= -0.009 sig.= 0.000
B     34 GLU CA  . - B    130 VAL N   . mod.= 5.764 id.= 5.759 dev= -0.004 sig.= 0.000
B     34 GLU C   . - B     36 ALA CA  . mod.= 5.256 id.= 5.251 dev= -0.005 sig.= 0.000
B     34 GLU C   . - B     98 ARG N   . mod.= 5.348 id.= 5.345 dev= -0.003 sig.= 0.000
B     34 GLU C   . - B     98 ARG CA  . mod.= 5.468 id.= 5.464 dev= -0.004 sig.= 0.000
B     34 GLU C   . - B     98 ARG C   . mod.= 4.580 id.= 4.577 dev= -0.003 sig.= 0.000
B     34 GLU C   . - B     98 ARG O   . mod.= 3.560 id.= 3.558 dev= -0.002 sig.= 0.000
B     34 GLU C   . - B     99 ILE N   . mod.= 5.340 id.= 5.337 dev= -0.003 sig.= 0.000
B     34 GLU C   . - B     99 ILE CA  . mod.= 5.273 id.= 5.269 dev= -0.004 sig.= 0.000
B     34 GLU C   . - B     99 ILE C   . mod.= 5.599 id.= 5.596 dev= -0.003 sig.= 0.000
B     34 GLU C   . - B    128 ALA CA  . mod.= 4.933 id.= 4.930 dev= -0.003 sig.= 0.000
B     34 GLU C   . - B    129 GLU N   . mod.= 4.558 id.= 4.555 dev= -0.002 sig.= 0.000
B     34 GLU C   . - B    129 GLU CA  . mod.= 5.302 id.= 5.297 dev= -0.005 sig.= 0.000
B     34 GLU C   . - B    129 GLU C   . mod.= 5.470 id.= 5.463 dev= -0.006 sig.= 0.000
B     34 GLU C   . - B    130 VAL O   . mod.= 4.346 id.= 4.348 dev=  0.002 sig.= 0.000
B     34 GLU O   . - B     35 ILE CA  . mod.= 2.788 id.= 2.795 dev=  0.008 sig.= 0.000
B     34 GLU O   . - B     36 ALA CA  . mod.= 5.328 id.= 5.324 dev= -0.003 sig.= 0.000
B     34 GLU O   . - B     98 ARG C   . mod.= 5.820 id.= 5.814 dev= -0.006 sig.= 0.000
B     34 GLU O   . - B     98 ARG O   . mod.= 4.786 id.= 4.780 dev= -0.006 sig.= 0.000
B     34 GLU O   . - B    127 GLY C   . mod.= 6.003 id.= 5.999 dev= -0.004 sig.= 0.000
B     34 GLU O   . - B    128 ALA N   . mod.= 5.427 id.= 5.422 dev= -0.005 sig.= 0.000
B     34 GLU O   . - B    128 ALA CA  . mod.= 4.040 id.= 4.043 dev=  0.004 sig.= 0.000
B     34 GLU O   . - B    128 ALA C   . mod.= 4.042 id.= 4.047 dev=  0.005 sig.= 0.000
B     34 GLU O   . - B    128 ALA O   . mod.= 5.097 id.= 5.100 dev=  0.003 sig.= 0.000
B     34 GLU O   . - B    129 GLU CA  . mod.= 4.109 id.= 4.106 dev= -0.003 sig.= 0.000
B     34 GLU O   . - B    129 GLU C   . mod.= 4.266 id.= 4.261 dev= -0.005 sig.= 0.000
B     34 GLU O   . - B    129 GLU O   . mod.= 5.455 id.= 5.451 dev= -0.004 sig.= 0.000
B     34 GLU O   . - B    130 VAL O   . mod.= 3.617 id.= 3.621 dev=  0.004 sig.= 0.000
B     35 ILE N   . - B     36 ALA C   . mod.= 5.501 id.= 5.504 dev=  0.003 sig.= 0.000
B     35 ILE N   . - B     36 ALA O   . mod.= 5.941 id.= 5.946 dev=  0.004 sig.= 0.000
B     35 ILE N   . - B     97 THR C   . mod.= 5.706 id.= 5.704 dev= -0.002 sig.= 0.000
B     35 ILE N   . - B     99 ILE O   . mod.= 5.950 id.= 5.948 dev= -0.003 sig.= 0.000
B     35 ILE N   . - B    100 LEU CA  . mod.= 5.507 id.= 5.493 dev= -0.013 sig.= 0.000
B     35 ILE N   . - B    128 ALA CA  . mod.= 5.841 id.= 5.835 dev= -0.005 sig.= 0.000
B     35 ILE N   . - B    129 GLU N   . mod.= 5.620 id.= 5.614 dev= -0.006 sig.= 0.000
B     35 ILE N   . - B    130 VAL N   . mod.= 5.132 id.= 5.129 dev= -0.003 sig.= 0.000
B     35 ILE N   . - B    130 VAL CA  . mod.= 5.452 id.= 5.448 dev= -0.004 sig.= 0.000
B     35 ILE CA  . - B     36 ALA CA  . mod.= 3.807 id.= 3.813 dev=  0.006 sig.= 0.000
B     35 ILE CA  . - B     36 ALA C   . mod.= 4.441 id.= 4.446 dev=  0.004 sig.= 0.000
B     35 ILE CA  . - B     36 ALA O   . mod.= 4.689 id.= 4.693 dev=  0.004 sig.= 0.000
B     35 ILE CA  . - B     99 ILE C   . mod.= 5.389 id.= 5.392 dev=  0.003 sig.= 0.000
B     35 ILE CA  . - B    100 LEU N   . mod.= 4.779 id.= 4.783 dev=  0.003 sig.= 0.000
B     35 ILE CA  . - B    129 GLU N   . mod.= 5.799 id.= 5.805 dev=  0.005 sig.= 0.000
B     35 ILE CA  . - B    130 VAL N   . mod.= 4.707 id.= 4.710 dev=  0.002 sig.= 0.000
B     35 ILE CA  . - B    130 VAL CA  . mod.= 4.662 id.= 4.660 dev= -0.003 sig.= 0.000
B     35 ILE CA  . - B    130 VAL O   . mod.= 3.281 id.= 3.287 dev=  0.007 sig.= 0.000
B     35 ILE CA  . - B    131 ILE N   . mod.= 5.269 id.= 5.266 dev= -0.003 sig.= 0.000
B     35 ILE CA  . - B    131 ILE CA  . mod.= 5.567 id.= 5.582 dev=  0.015 sig.= 0.000
B     35 ILE CA  . - B    132 ASN N   . mod.= 5.984 id.= 5.989 dev=  0.005 sig.= 0.000
B     35 ILE C   . - B     37 VAL CA  . mod.= 4.892 id.= 4.894 dev=  0.002 sig.= 0.000
B     35 ILE C   . - B     98 ARG C   . mod.= 5.282 id.= 5.284 dev=  0.002 sig.= 0.000
B     35 ILE C   . - B     99 ILE N   . mod.= 5.349 id.= 5.351 dev=  0.002 sig.= 0.000
B     35 ILE C   . - B     99 ILE CA  . mod.= 4.417 id.= 4.420 dev=  0.003 sig.= 0.000
B     35 ILE C   . - B    100 LEU CA  . mod.= 4.618 id.= 4.612 dev= -0.006 sig.= 0.000
B     35 ILE C   . - B    100 LEU C   . mod.= 4.976 id.= 4.973 dev= -0.004 sig.= 0.000
B     35 ILE C   . - B    100 LEU O   . mod.= 4.441 id.= 4.437 dev= -0.004 sig.= 0.000
B     35 ILE C   . - B    130 VAL N   . mod.= 5.594 id.= 5.590 dev= -0.004 sig.= 0.000
B     35 ILE C   . - B    130 VAL CA  . mod.= 5.478 id.= 5.474 dev= -0.005 sig.= 0.000
B     35 ILE C   . - B    130 VAL O   . mod.= 3.525 id.= 3.522 dev= -0.003 sig.= 0.000
B     35 ILE C   . - B    131 ILE N   . mod.= 5.466 id.= 5.463 dev= -0.003 sig.= 0.000
B     35 ILE C   . - B    131 ILE CA  . mod.= 5.373 id.= 5.382 dev=  0.009 sig.= 0.000
B     35 ILE C   . - B    132 ASN N   . mod.= 5.585 id.= 5.588 dev=  0.003 sig.= 0.000
B     35 ILE O   . - B     36 ALA CA  . mod.= 2.778 id.= 2.782 dev=  0.004 sig.= 0.000
B     35 ILE O   . - B     36 ALA C   . mod.= 3.268 id.= 3.272 dev=  0.004 sig.= 0.000
B     35 ILE O   . - B     36 ALA O   . mod.= 4.058 id.= 4.061 dev=  0.003 sig.= 0.000
B     35 ILE O   . - B     37 VAL CA  . mod.= 4.509 id.= 4.511 dev=  0.002 sig.= 0.000
B     35 ILE O   . - B    100 LEU N   . mod.= 2.818 id.= 2.815 dev= -0.003 sig.= 0.000
B     36 ALA N   . - B     37 VAL C   . mod.= 5.651 id.= 5.649 dev= -0.002 sig.= 0.000
B     36 ALA N   . - B    100 LEU CA  . mod.= 4.866 id.= 4.859 dev= -0.007 sig.= 0.000
B     36 ALA N   . - B    100 LEU C   . mod.= 5.061 id.= 5.059 dev= -0.002 sig.= 0.000
B     36 ALA N   . - B    100 LEU O   . mod.= 4.333 id.= 4.330 dev= -0.003 sig.= 0.000
B     36 ALA N   . - B    128 ALA CA  . mod.= 5.501 id.= 5.496 dev= -0.005 sig.= 0.000
B     36 ALA N   . - B    128 ALA C   . mod.= 5.913 id.= 5.910 dev= -0.004 sig.= 0.000
B     36 ALA N   . - B    130 VAL N   . mod.= 5.252 id.= 5.248 dev= -0.004 sig.= 0.000
B     36 ALA N   . - B    130 VAL CA  . mod.= 5.078 id.= 5.074 dev= -0.004 sig.= 0.000
B     36 ALA N   . - B    130 VAL O   . mod.= 2.813 id.= 2.808 dev= -0.005 sig.= 0.000
B     36 ALA N   . - B    131 ILE CA  . mod.= 4.369 id.= 4.374 dev=  0.005 sig.= 0.000
B     36 ALA N   . - B    131 ILE C   . mod.= 5.150 id.= 5.147 dev= -0.003 sig.= 0.000
B     36 ALA N   . - B    132 ASN N   . mod.= 4.848 id.= 4.845 dev= -0.003 sig.= 0.000
B     36 ALA CA  . - B     37 VAL CA  . mod.= 3.807 id.= 3.809 dev=  0.002 sig.= 0.000
B     36 ALA CA  . - B     38 ILE N   . mod.= 4.918 id.= 4.923 dev=  0.005 sig.= 0.000
B     36 ALA CA  . - B     38 ILE CA  . mod.= 5.986 id.= 5.989 dev=  0.003 sig.= 0.000
B     36 ALA CA  . - B     99 ILE CA  . mod.= 5.821 id.= 5.824 dev=  0.003 sig.= 0.000
B     36 ALA CA  . - B     99 ILE C   . mod.= 5.455 id.= 5.457 dev=  0.002 sig.= 0.000
B     36 ALA CA  . - B    100 LEU N   . mod.= 4.250 id.= 4.252 dev=  0.002 sig.= 0.000
B     36 ALA CA  . - B    100 LEU CA  . mod.= 4.377 id.= 4.372 dev= -0.005 sig.= 0.000
B     36 ALA CA  . - B    101 ALA CA  . mod.= 5.949 id.= 5.943 dev= -0.006 sig.= 0.000
B     36 ALA CA  . - B    102 VAL N   . mod.= 5.875 id.= 5.869 dev= -0.005 sig.= 0.000
B     36 ALA CA  . - B    130 VAL O   . mod.= 3.878 id.= 3.869 dev= -0.009 sig.= 0.000
B     36 ALA CA  . - B    131 ILE C   . mod.= 5.385 id.= 5.382 dev= -0.003 sig.= 0.000
B     36 ALA CA  . - B    132 ASN N   . mod.= 4.904 id.= 4.899 dev= -0.005 sig.= 0.000
B     36 ALA C   . - B     37 VAL O   . mod.= 4.032 id.= 4.030 dev= -0.002 sig.= 0.000
B     36 ALA C   . - B    100 LEU O   . mod.= 3.562 id.= 3.560 dev= -0.002 sig.= 0.000
B     36 ALA C   . - B    101 ALA CA  . mod.= 5.915 id.= 5.912 dev= -0.003 sig.= 0.000
B     36 ALA C   . - B    102 VAL N   . mod.= 5.648 id.= 5.643 dev= -0.005 sig.= 0.000
B     36 ALA C   . - B    130 VAL O   . mod.= 4.483 id.= 4.476 dev= -0.007 sig.= 0.000
B     36 ALA C   . - B    131 ILE CA  . mod.= 4.572 id.= 4.576 dev=  0.004 sig.= 0.000
B     36 ALA C   . - B    131 ILE C   . mod.= 4.842 id.= 4.840 dev= -0.002 sig.= 0.000
B     36 ALA C   . - B    132 ASN N   . mod.= 4.036 id.= 4.032 dev= -0.004 sig.= 0.000
B     36 ALA C   . - B    132 ASN CA  . mod.= 4.895 id.= 4.892 dev= -0.004 sig.= 0.000
B     36 ALA C   . - B    132 ASN C   . mod.= 5.122 id.= 5.124 dev=  0.002 sig.= 0.000
B     36 ALA O   . - B     38 ILE N   . mod.= 3.585 id.= 3.588 dev=  0.003 sig.= 0.000
B     36 ALA O   . - B     38 ILE C   . mod.= 5.869 id.= 5.873 dev=  0.003 sig.= 0.000
B     36 ALA O   . - B    100 LEU O   . mod.= 4.776 id.= 4.774 dev= -0.002 sig.= 0.000
B     36 ALA O   . - B    130 VAL O   . mod.= 4.146 id.= 4.141 dev= -0.005 sig.= 0.000
B     36 ALA O   . - B    131 ILE CA  . mod.= 3.656 id.= 3.664 dev=  0.008 sig.= 0.000
B     36 ALA O   . - B    132 ASN N   . mod.= 2.816 id.= 2.813 dev= -0.003 sig.= 0.000
B     36 ALA O   . - B    132 ASN CA  . mod.= 3.701 id.= 3.697 dev= -0.005 sig.= 0.000
B     36 ALA O   . - B    132 ASN C   . mod.= 4.022 id.= 4.024 dev=  0.003 sig.= 0.000
B     36 ALA O   . - B    133 LEU N   . mod.= 5.326 id.= 5.330 dev=  0.005 sig.= 0.000
B     37 VAL N   . - B     37 VAL O   . mod.= 2.984 id.= 2.982 dev= -0.002 sig.= 0.000
B     37 VAL N   . - B     38 ILE CA  . mod.= 4.493 id.= 4.497 dev=  0.004 sig.= 0.000
B     37 VAL N   . - B     38 ILE C   . mod.= 5.480 id.= 5.483 dev=  0.004 sig.= 0.000
B     37 VAL N   . - B    100 LEU N   . mod.= 4.716 id.= 4.711 dev= -0.005 sig.= 0.000
B     37 VAL N   . - B    100 LEU CA  . mod.= 4.904 id.= 4.912 dev=  0.008 sig.= 0.000
B     37 VAL N   . - B    100 LEU C   . mod.= 4.056 id.= 4.058 dev=  0.002 sig.= 0.000
B     37 VAL N   . - B    101 ALA N   . mod.= 4.932 id.= 4.937 dev=  0.004 sig.= 0.000
B     37 VAL N   . - B    102 VAL CA  . mod.= 5.736 id.= 5.739 dev=  0.003 sig.= 0.000
B     37 VAL N   . - B    102 VAL O   . mod.= 5.767 id.= 5.771 dev=  0.003 sig.= 0.000
B     37 VAL N   . - B    130 VAL O   . mod.= 5.718 id.= 5.715 dev= -0.003 sig.= 0.000
B     37 VAL N   . - B    131 ILE CA  . mod.= 5.826 id.= 5.837 dev=  0.011 sig.= 0.000
B     37 VAL N   . - B    132 ASN C   . mod.= 5.562 id.= 5.569 dev=  0.008 sig.= 0.000
B     37 VAL N   . - B    132 ASN O   . mod.= 4.699 id.= 4.701 dev=  0.003 sig.= 0.000
B     37 VAL CA  . - B     38 ILE CA  . mod.= 3.842 id.= 3.840 dev= -0.003 sig.= 0.000
B     37 VAL CA  . - B     38 ILE O   . mod.= 4.948 id.= 4.942 dev= -0.005 sig.= 0.000
B     37 VAL CA  . - B     39 ASP N   . mod.= 4.963 id.= 4.960 dev= -0.003 sig.= 0.000
B     37 VAL CA  . - B     39 ASP CA  . mod.= 5.861 id.= 5.855 dev= -0.006 sig.= 0.000
B     37 VAL CA  . - B    100 LEU N   . mod.= 5.872 id.= 5.867 dev= -0.005 sig.= 0.000
B     37 VAL CA  . - B    101 ALA N   . mod.= 5.680 id.= 5.686 dev=  0.006 sig.= 0.000
B     37 VAL CA  . - B    101 ALA CA  . mod.= 5.296 id.= 5.301 dev=  0.005 sig.= 0.000
B     37 VAL CA  . - B    132 ASN C   . mod.= 4.956 id.= 4.968 dev=  0.012 sig.= 0.000
B     37 VAL CA  . - B    132 ASN O   . mod.= 3.997 id.= 4.002 dev=  0.004 sig.= 0.000
B     37 VAL C   . - B     38 ILE C   . mod.= 3.206 id.= 3.210 dev=  0.003 sig.= 0.000
B     37 VAL C   . - B    101 ALA N   . mod.= 5.728 id.= 5.731 dev=  0.003 sig.= 0.000
B     37 VAL C   . - B    132 ASN N   . mod.= 5.635 id.= 5.632 dev= -0.003 sig.= 0.000
B     37 VAL C   . - B    132 ASN CA  . mod.= 5.773 id.= 5.771 dev= -0.003 sig.= 0.000
B     37 VAL O   . - B     38 ILE C   . mod.= 3.501 id.= 3.505 dev=  0.003 sig.= 0.000
B     37 VAL O   . - B     41 GLY N   . mod.= 5.792 id.= 5.788 dev= -0.003 sig.= 0.000
B     37 VAL O   . - B     41 GLY CA  . mod.= 5.958 id.= 5.955 dev= -0.003 sig.= 0.000
B     37 VAL O   . - B    100 LEU C   . mod.= 4.806 id.= 4.804 dev= -0.002 sig.= 0.000
B     37 VAL O   . - B    100 LEU O   . mod.= 3.826 id.= 3.822 dev= -0.003 sig.= 0.000
B     38 ILE N   . - B     39 ASP CA  . mod.= 4.383 id.= 4.379 dev= -0.004 sig.= 0.000
B     38 ILE N   . - B     39 ASP C   . mod.= 5.591 id.= 5.587 dev= -0.005 sig.= 0.000
B     38 ILE N   . - B     39 ASP O   . mod.= 5.832 id.= 5.829 dev= -0.003 sig.= 0.000
B     38 ILE N   . - B    100 LEU O   . mod.= 5.202 id.= 5.200 dev= -0.002 sig.= 0.000
B     38 ILE N   . - B    102 VAL N   . mod.= 4.909 id.= 4.906 dev= -0.003 sig.= 0.000
B     38 ILE N   . - B    102 VAL C   . mod.= 5.059 id.= 5.057 dev= -0.003 sig.= 0.000
B     38 ILE N   . - B    132 ASN CA  . mod.= 5.150 id.= 5.145 dev= -0.005 sig.= 0.000
B     38 ILE N   . - B    132 ASN C   . mod.= 4.299 id.= 4.293 dev= -0.006 sig.= 0.000
B     38 ILE N   . - B    132 ASN O   . mod.= 3.074 id.= 3.072 dev= -0.002 sig.= 0.000
B     38 ILE N   . - B    133 LEU N   . mod.= 5.228 id.= 5.230 dev=  0.003 sig.= 0.000
B     38 ILE N   . - B    133 LEU CA  . mod.= 5.289 id.= 5.293 dev=  0.004 sig.= 0.000
B     38 ILE N   . - B    134 SER N   . mod.= 5.965 id.= 5.962 dev= -0.002 sig.= 0.000
B     38 ILE CA  . - B     39 ASP CA  . mod.= 3.756 id.= 3.760 dev=  0.005 sig.= 0.000
B     38 ILE CA  . - B     39 ASP C   . mod.= 4.834 id.= 4.837 dev=  0.003 sig.= 0.000
B     38 ILE CA  . - B     39 ASP O   . mod.= 4.870 id.= 4.872 dev=  0.002 sig.= 0.000
B     38 ILE CA  . - B    102 VAL N   . mod.= 4.914 id.= 4.910 dev= -0.004 sig.= 0.000
B     38 ILE CA  . - B    102 VAL CA  . mod.= 4.859 id.= 4.852 dev= -0.006 sig.= 0.000
B     38 ILE CA  . - B    102 VAL C   . mod.= 4.372 id.= 4.366 dev= -0.006 sig.= 0.000
B     38 ILE CA  . - B    102 VAL O   . mod.= 3.286 id.= 3.282 dev= -0.004 sig.= 0.000
B     38 ILE CA  . - B    103 ARG N   . mod.= 5.496 id.= 5.490 dev= -0.007 sig.= 0.000
B     38 ILE CA  . - B    103 ARG CA  . mod.= 5.774 id.= 5.771 dev= -0.003 sig.= 0.000
B     38 ILE CA  . - B    104 ALA N   . mod.= 5.402 id.= 5.405 dev=  0.003 sig.= 0.000
B     38 ILE CA  . - B    132 ASN C   . mod.= 5.011 id.= 4.993 dev= -0.018 sig.= 0.000
B     38 ILE CA  . - B    132 ASN O   . mod.= 3.811 id.= 3.802 dev= -0.009 sig.= 0.000
B     38 ILE CA  . - B    133 LEU N   . mod.= 5.677 id.= 5.671 dev= -0.006 sig.= 0.000
B     38 ILE CA  . - B    133 LEU CA  . mod.= 5.370 id.= 5.368 dev= -0.003 sig.= 0.000
B     38 ILE CA  . - B    134 SER N   . mod.= 5.859 id.= 5.854 dev= -0.005 sig.= 0.000
B     38 ILE C   . - B     39 ASP C   . mod.= 3.681 id.= 3.685 dev=  0.005 sig.= 0.000
B     38 ILE C   . - B     40 THR N   . mod.= 4.796 id.= 4.799 dev=  0.003 sig.= 0.000
B     38 ILE C   . - B    102 VAL CA  . mod.= 5.737 id.= 5.734 dev= -0.003 sig.= 0.000
B     38 ILE C   . - B    102 VAL C   . mod.= 4.907 id.= 4.903 dev= -0.004 sig.= 0.000
B     38 ILE C   . - B    102 VAL O   . mod.= 3.675 id.= 3.672 dev= -0.003 sig.= 0.000
B     38 ILE C   . - B    103 ARG N   . mod.= 5.822 id.= 5.818 dev= -0.004 sig.= 0.000
B     38 ILE C   . - B    103 ARG CA  . mod.= 5.733 id.= 5.730 dev= -0.003 sig.= 0.000
B     38 ILE C   . - B    103 ARG C   . mod.= 5.841 id.= 5.839 dev= -0.003 sig.= 0.000
B     38 ILE C   . - B    104 ALA N   . mod.= 5.083 id.= 5.081 dev= -0.002 sig.= 0.000
B     38 ILE C   . - B    104 ALA CA  . mod.= 5.695 id.= 5.692 dev= -0.004 sig.= 0.000
B     38 ILE C   . - B    105 LEU N   . mod.= 5.745 id.= 5.747 dev=  0.002 sig.= 0.000
B     38 ILE C   . - B    132 ASN C   . mod.= 5.257 id.= 5.247 dev= -0.011 sig.= 0.000
B     38 ILE C   . - B    132 ASN O   . mod.= 4.122 id.= 4.119 dev= -0.003 sig.= 0.000
B     38 ILE O   . - B     40 THR N   . mod.= 5.182 id.= 5.179 dev= -0.002 sig.= 0.000
B     38 ILE O   . - B    104 ALA N   . mod.= 5.928 id.= 5.932 dev=  0.004 sig.= 0.000
B     38 ILE O   . - B    132 ASN CA  . mod.= 5.985 id.= 5.983 dev= -0.002 sig.= 0.000
B     38 ILE O   . - B    132 ASN C   . mod.= 4.613 id.= 4.606 dev= -0.008 sig.= 0.000
B     38 ILE O   . - B    133 LEU N   . mod.= 4.832 id.= 4.834 dev=  0.002 sig.= 0.000
B     38 ILE O   . - B    133 LEU CA  . mod.= 4.136 id.= 4.144 dev=  0.007 sig.= 0.000
B     38 ILE O   . - B    134 SER N   . mod.= 3.776 id.= 3.772 dev= -0.004 sig.= 0.000
B     38 ILE O   . - B    134 SER CA  . mod.= 4.760 id.= 4.754 dev= -0.006 sig.= 0.000
B     38 ILE O   . - B    134 SER O   . mod.= 5.294 id.= 5.298 dev=  0.005 sig.= 0.000
B     39 ASP N   . - B     40 THR N   . mod.= 3.599 id.= 3.596 dev= -0.003 sig.= 0.000
B     39 ASP N   . - B     41 GLY O   . mod.= 5.824 id.= 5.829 dev=  0.004 sig.= 0.000
B     39 ASP N   . - B    134 SER N   . mod.= 5.877 id.= 5.880 dev=  0.003 sig.= 0.000
B     39 ASP CA  . - B     41 GLY C   . mod.= 5.846 id.= 5.849 dev=  0.002 sig.= 0.000
B     39 ASP CA  . - B     41 GLY O   . mod.= 5.365 id.= 5.368 dev=  0.003 sig.= 0.000
B     39 ASP CA  . - B    104 ALA CA  . mod.= 5.491 id.= 5.489 dev= -0.002 sig.= 0.000
B     39 ASP CA  . - B    105 LEU N   . mod.= 4.625 id.= 4.627 dev=  0.002 sig.= 0.000
B     39 ASP CA  . - B    134 SER N   . mod.= 5.746 id.= 5.758 dev=  0.012 sig.= 0.000
B     39 ASP C   . - B    103 ARG N   . mod.= 5.316 id.= 5.319 dev=  0.003 sig.= 0.000
B     39 ASP C   . - B    104 ALA CA  . mod.= 4.880 id.= 4.876 dev= -0.004 sig.= 0.000
B     39 ASP C   . - B    104 ALA O   . mod.= 5.778 id.= 5.775 dev= -0.003 sig.= 0.000
B     39 ASP O   . - B     40 THR O   . mod.= 4.415 id.= 4.413 dev= -0.002 sig.= 0.000
B     39 ASP O   . - B    103 ARG N   . mod.= 4.391 id.= 4.394 dev=  0.003 sig.= 0.000
B     39 ASP O   . - B    104 ALA CA  . mod.= 3.803 id.= 3.800 dev= -0.003 sig.= 0.000
B     39 ASP O   . - B    105 LEU C   . mod.= 4.329 id.= 4.331 dev=  0.002 sig.= 0.000
B     39 ASP O   . - B    105 LEU O   . mod.= 3.931 id.= 3.934 dev=  0.003 sig.= 0.000
B     40 THR N   . - B     41 GLY CA  . mod.= 4.170 id.= 4.167 dev= -0.002 sig.= 0.000
B     40 THR N   . - B     41 GLY C   . mod.= 4.695 id.= 4.692 dev= -0.003 sig.= 0.000
B     40 THR N   . - B     41 GLY O   . mod.= 4.223 id.= 4.221 dev= -0.003 sig.= 0.000
B     40 THR N   . - B     72 HIS C   . mod.= 5.565 id.= 5.561 dev= -0.004 sig.= 0.000
B     40 THR N   . - B     73 GLY N   . mod.= 4.484 id.= 4.481 dev= -0.002 sig.= 0.000
B     40 THR N   . - B     73 GLY CA  . mod.= 4.337 id.= 4.333 dev= -0.004 sig.= 0.000
B     40 THR N   . - B     73 GLY C   . mod.= 5.685 id.= 5.682 dev= -0.003 sig.= 0.000
B     40 THR N   . - B    102 VAL O   . mod.= 5.252 id.= 5.248 dev= -0.004 sig.= 0.000
B     40 THR N   . - B    104 ALA N   . mod.= 4.986 id.= 4.982 dev= -0.004 sig.= 0.000
B     40 THR N   . - B    104 ALA CA  . mod.= 5.919 id.= 5.913 dev= -0.006 sig.= 0.000
B     40 THR N   . - B    104 ALA C   . mod.= 5.579 id.= 5.576 dev= -0.003 sig.= 0.000
B     40 THR N   . - B    106 ASP N   . mod.= 5.979 id.= 5.977 dev= -0.002 sig.= 0.000
B     40 THR N   . - B    109 GLY CA  . mod.= 5.983 id.= 5.972 dev= -0.011 sig.= 0.000
B     40 THR CA  . - B     41 GLY CA  . mod.= 3.825 id.= 3.823 dev= -0.003 sig.= 0.000
B     40 THR CA  . - B     41 GLY C   . mod.= 4.584 id.= 4.581 dev= -0.004 sig.= 0.000
B     40 THR CA  . - B     41 GLY O   . mod.= 4.309 id.= 4.305 dev= -0.004 sig.= 0.000
B     40 THR CA  . - B     42 VAL N   . mod.= 5.884 id.= 5.881 dev= -0.003 sig.= 0.000
B     40 THR CA  . - B     68 ASP CA  . mod.= 5.673 id.= 5.670 dev= -0.004 sig.= 0.000
B     40 THR CA  . - B     72 HIS C   . mod.= 5.985 id.= 5.979 dev= -0.006 sig.= 0.000
B     40 THR CA  . - B     73 GLY N   . mod.= 4.869 id.= 4.864 dev= -0.005 sig.= 0.000
B     40 THR CA  . - B     73 GLY CA  . mod.= 4.963 id.= 4.959 dev= -0.004 sig.= 0.000
B     40 THR CA  . - B    104 ALA N   . mod.= 5.196 id.= 5.193 dev= -0.002 sig.= 0.000
B     40 THR CA  . - B    104 ALA C   . mod.= 5.698 id.= 5.694 dev= -0.004 sig.= 0.000
B     40 THR CA  . - B    105 LEU CA  . mod.= 4.461 id.= 4.458 dev= -0.003 sig.= 0.000
B     40 THR CA  . - B    106 ASP N   . mod.= 5.365 id.= 5.362 dev= -0.003 sig.= 0.000
B     40 THR CA  . - B    106 ASP CA  . mod.= 5.926 id.= 5.923 dev= -0.002 sig.= 0.000
B     40 THR CA  . - B    109 GLY CA  . mod.= 5.797 id.= 5.788 dev= -0.008 sig.= 0.000
B     40 THR C   . - B     41 GLY C   . mod.= 3.374 id.= 3.371 dev= -0.003 sig.= 0.000
B     40 THR C   . - B     42 VAL CA  . mod.= 5.720 id.= 5.717 dev= -0.003 sig.= 0.000
B     40 THR C   . - B     68 ASP N   . mod.= 5.125 id.= 5.123 dev= -0.002 sig.= 0.000
B     40 THR C   . - B     68 ASP CA  . mod.= 4.402 id.= 4.400 dev= -0.003 sig.= 0.000
B     40 THR C   . - B     69 LEU N   . mod.= 5.284 id.= 5.282 dev= -0.002 sig.= 0.000
B     40 THR C   . - B    103 ARG N   . mod.= 5.758 id.= 5.761 dev=  0.003 sig.= 0.000
B     40 THR C   . - B    103 ARG C   . mod.= 5.534 id.= 5.531 dev= -0.003 sig.= 0.000
B     40 THR C   . - B    104 ALA N   . mod.= 5.403 id.= 5.397 dev= -0.005 sig.= 0.000
B     40 THR C   . - B    105 LEU N   . mod.= 5.288 id.= 5.285 dev= -0.003 sig.= 0.000
B     40 THR C   . - B    105 LEU CA  . mod.= 5.586 id.= 5.580 dev= -0.005 sig.= 0.000
B     40 THR C   . - B    105 LEU C   . mod.= 5.229 id.= 5.227 dev= -0.002 sig.= 0.000
B     40 THR O   . - B     42 VAL CA  . mod.= 5.947 id.= 5.945 dev= -0.002 sig.= 0.000
B     40 THR O   . - B     68 ASP N   . mod.= 4.394 id.= 4.392 dev= -0.002 sig.= 0.000
B     40 THR O   . - B     68 ASP CA  . mod.= 3.609 id.= 3.606 dev= -0.003 sig.= 0.000
B     40 THR O   . - B     69 LEU N   . mod.= 4.208 id.= 4.206 dev= -0.002 sig.= 0.000
B     40 THR O   . - B     69 LEU CA  . mod.= 5.474 id.= 5.467 dev= -0.006 sig.= 0.000
B     40 THR O   . - B     70 ASN CA  . mod.= 5.789 id.= 5.794 dev=  0.004 sig.= 0.000
B     40 THR O   . - B    105 LEU N   . mod.= 5.916 id.= 5.909 dev= -0.006 sig.= 0.000
B     40 THR O   . - B    105 LEU C   . mod.= 5.486 id.= 5.481 dev= -0.004 sig.= 0.000
B     40 THR O   . - B    105 LEU O   . mod.= 4.324 id.= 4.320 dev= -0.004 sig.= 0.000
B     41 GLY N   . - B     42 VAL C   . mod.= 5.828 id.= 5.826 dev= -0.002 sig.= 0.000
B     41 GLY N   . - B    103 ARG N   . mod.= 4.976 id.= 4.980 dev=  0.004 sig.= 0.000
B     41 GLY N   . - B    104 ALA N   . mod.= 5.281 id.= 5.278 dev= -0.003 sig.= 0.000
B     41 GLY CA  . - B     42 VAL O   . mod.= 4.854 id.= 4.856 dev=  0.002 sig.= 0.000
B     41 GLY CA  . - B     67 MET N   . mod.= 4.803 id.= 4.800 dev= -0.003 sig.= 0.000
B     41 GLY CA  . - B    101 ALA C   . mod.= 5.958 id.= 5.955 dev= -0.003 sig.= 0.000
B     41 GLY CA  . - B    102 VAL N   . mod.= 5.737 id.= 5.734 dev= -0.003 sig.= 0.000
B     41 GLY CA  . - B    103 ARG N   . mod.= 4.875 id.= 4.878 dev=  0.003 sig.= 0.000
B     41 GLY CA  . - B    103 ARG C   . mod.= 5.697 id.= 5.694 dev= -0.003 sig.= 0.000
B     41 GLY C   . - B     43 ASP N   . mod.= 4.413 id.= 4.411 dev= -0.003 sig.= 0.000
B     41 GLY C   . - B     43 ASP CA  . mod.= 5.687 id.= 5.684 dev= -0.003 sig.= 0.000
B     41 GLY C   . - B     66 PRO CA  . mod.= 5.598 id.= 5.600 dev=  0.002 sig.= 0.000
B     41 GLY C   . - B     67 MET N   . mod.= 5.293 id.= 5.290 dev= -0.003 sig.= 0.000
B     41 GLY C   . - B     67 MET C   . mod.= 4.434 id.= 4.437 dev=  0.002 sig.= 0.000
B     41 GLY C   . - B     68 ASP C   . mod.= 5.403 id.= 5.406 dev=  0.003 sig.= 0.000
B     41 GLY C   . - B     74 THR N   . mod.= 4.771 id.= 4.773 dev=  0.002 sig.= 0.000
B     41 GLY C   . - B     74 THR CA  . mod.= 5.548 id.= 5.552 dev=  0.003 sig.= 0.000
B     41 GLY C   . - B    101 ALA CA  . mod.= 5.821 id.= 5.815 dev= -0.006 sig.= 0.000
B     41 GLY C   . - B    102 VAL C   . mod.= 5.973 id.= 5.975 dev=  0.003 sig.= 0.000
B     41 GLY C   . - B    102 VAL O   . mod.= 5.780 id.= 5.782 dev=  0.002 sig.= 0.000
B     41 GLY C   . - B    103 ARG N   . mod.= 5.928 id.= 5.933 dev=  0.005 sig.= 0.000
B     41 GLY C   . - B    103 ARG CA  . mod.= 5.652 id.= 5.655 dev=  0.002 sig.= 0.000
B     41 GLY O   . - B     43 ASP N   . mod.= 4.592 id.= 4.588 dev= -0.004 sig.= 0.000
B     41 GLY O   . - B     43 ASP CA  . mod.= 5.966 id.= 5.961 dev= -0.005 sig.= 0.000
B     41 GLY O   . - B     67 MET C   . mod.= 5.359 id.= 5.362 dev=  0.003 sig.= 0.000
B     41 GLY O   . - B     68 ASP N   . mod.= 4.670 id.= 4.672 dev=  0.003 sig.= 0.000
B     41 GLY O   . - B     68 ASP CA  . mod.= 4.299 id.= 4.301 dev=  0.002 sig.= 0.000
B     41 GLY O   . - B     68 ASP C   . mod.= 5.695 id.= 5.701 dev=  0.005 sig.= 0.000
B     42 VAL N   . - B     43 ASP N   . mod.= 3.501 id.= 3.498 dev= -0.002 sig.= 0.000
B     42 VAL N   . - B     43 ASP CA  . mod.= 4.713 id.= 4.711 dev= -0.002 sig.= 0.000
B     42 VAL N   . - B     43 ASP C   . mod.= 5.472 id.= 5.468 dev= -0.004 sig.= 0.000
B     42 VAL N   . - B     66 PRO CA  . mod.= 5.227 id.= 5.231 dev=  0.003 sig.= 0.000
B     42 VAL N   . - B     67 MET N   . mod.= 4.756 id.= 4.754 dev= -0.003 sig.= 0.000
B     42 VAL N   . - B     68 ASP C   . mod.= 5.580 id.= 5.582 dev=  0.002 sig.= 0.000
B     42 VAL N   . - B     73 GLY O   . mod.= 5.287 id.= 5.289 dev=  0.002 sig.= 0.000
B     42 VAL N   . - B     74 THR CA  . mod.= 5.563 id.= 5.566 dev=  0.003 sig.= 0.000
B     42 VAL N   . - B    101 ALA CA  . mod.= 5.349 id.= 5.343 dev= -0.005 sig.= 0.000
B     42 VAL CA  . - B     43 ASP C   . mod.= 4.422 id.= 4.417 dev= -0.005 sig.= 0.000
B     42 VAL CA  . - B     43 ASP O   . mod.= 5.238 id.= 5.235 dev= -0.003 sig.= 0.000
B     42 VAL CA  . - B     44 TYR N   . mod.= 4.684 id.= 4.687 dev=  0.003 sig.= 0.000
B     42 VAL CA  . - B     66 PRO C   . mod.= 5.247 id.= 5.249 dev=  0.003 sig.= 0.000
B     42 VAL CA  . - B     66 PRO O   . mod.= 4.101 id.= 4.104 dev=  0.003 sig.= 0.000
B     42 VAL CA  . - B     67 MET C   . mod.= 5.104 id.= 5.107 dev=  0.003 sig.= 0.000
B     42 VAL CA  . - B     68 ASP N   . mod.= 4.358 id.= 4.361 dev=  0.003 sig.= 0.000
B     42 VAL CA  . - B     73 GLY O   . mod.= 4.576 id.= 4.578 dev=  0.002 sig.= 0.000
B     42 VAL CA  . - B     74 THR C   . mod.= 5.900 id.= 5.903 dev=  0.003 sig.= 0.000
B     42 VAL CA  . - B    101 ALA CA  . mod.= 5.653 id.= 5.651 dev= -0.002 sig.= 0.000
B     42 VAL C   . - B     43 ASP C   . mod.= 3.097 id.= 3.094 dev= -0.003 sig.= 0.000
B     42 VAL C   . - B     44 TYR CA  . mod.= 4.578 id.= 4.575 dev= -0.002 sig.= 0.000
B     42 VAL C   . - B     66 PRO C   . mod.= 5.114 id.= 5.117 dev=  0.003 sig.= 0.000
B     42 VAL C   . - B     66 PRO O   . mod.= 4.158 id.= 4.161 dev=  0.003 sig.= 0.000
B     42 VAL C   . - B     67 MET O   . mod.= 5.672 id.= 5.669 dev= -0.003 sig.= 0.000
B     42 VAL C   . - B     68 ASP CA  . mod.= 4.492 id.= 4.490 dev= -0.002 sig.= 0.000
B     42 VAL C   . - B     73 GLY O   . mod.= 5.780 id.= 5.784 dev=  0.003 sig.= 0.000
B     42 VAL C   . - B     74 THR CA  . mod.= 5.026 id.= 5.029 dev=  0.003 sig.= 0.000
B     42 VAL O   . - B     43 ASP CA  . mod.= 2.754 id.= 2.758 dev=  0.004 sig.= 0.000
B     42 VAL O   . - B     43 ASP O   . mod.= 4.358 id.= 4.361 dev=  0.003 sig.= 0.000
B     42 VAL O   . - B     45 THR N   . mod.= 5.605 id.= 5.608 dev=  0.003 sig.= 0.000
B     42 VAL O   . - B     66 PRO CA  . mod.= 5.608 id.= 5.612 dev=  0.005 sig.= 0.000
B     42 VAL O   . - B     66 PRO C   . mod.= 4.276 id.= 4.278 dev=  0.002 sig.= 0.000
B     43 ASP N   . - B     43 ASP O   . mod.= 3.219 id.= 3.217 dev= -0.002 sig.= 0.000
B     43 ASP N   . - B     44 TYR CA  . mod.= 4.515 id.= 4.509 dev= -0.006 sig.= 0.000
B     43 ASP N   . - B     45 THR N   . mod.= 5.512 id.= 5.510 dev= -0.002 sig.= 0.000
B     43 ASP N   . - B     66 PRO O   . mod.= 5.364 id.= 5.367 dev=  0.003 sig.= 0.000
B     43 ASP N   . - B     67 MET CA  . mod.= 5.314 id.= 5.318 dev=  0.004 sig.= 0.000
B     43 ASP N   . - B     68 ASP CA  . mod.= 4.671 id.= 4.669 dev= -0.002 sig.= 0.000
B     43 ASP N   . - B     73 GLY O   . mod.= 5.828 id.= 5.830 dev=  0.002 sig.= 0.000
B     43 ASP N   . - B     74 THR CA  . mod.= 4.430 id.= 4.432 dev=  0.002 sig.= 0.000
B     43 ASP N   . - B     74 THR C   . mod.= 5.793 id.= 5.797 dev=  0.005 sig.= 0.000
B     43 ASP CA  . - B     44 TYR CA  . mod.= 3.832 id.= 3.826 dev= -0.006 sig.= 0.000
B     43 ASP CA  . - B     44 TYR O   . mod.= 5.791 id.= 5.788 dev= -0.003 sig.= 0.000
B     43 ASP CA  . - B     45 THR N   . mod.= 4.277 id.= 4.275 dev= -0.002 sig.= 0.000
B     43 ASP CA  . - B     46 HIS CA  . mod.= 5.787 id.= 5.785 dev= -0.002 sig.= 0.000
B     43 ASP CA  . - B     67 MET CA  . mod.= 5.367 id.= 5.372 dev=  0.006 sig.= 0.000
B     43 ASP CA  . - B     68 ASP CA  . mod.= 5.198 id.= 5.192 dev= -0.006 sig.= 0.000
B     43 ASP CA  . - B     68 ASP C   . mod.= 5.834 id.= 5.829 dev= -0.005 sig.= 0.000
B     43 ASP CA  . - B     68 ASP O   . mod.= 5.399 id.= 5.395 dev= -0.004 sig.= 0.000
B     43 ASP CA  . - B    215 THR CA  . mod.= 5.882 id.= 5.879 dev= -0.004 sig.= 0.000
B     43 ASP C   . - B     44 TYR O   . mod.= 4.395 id.= 4.391 dev= -0.004 sig.= 0.000
B     43 ASP C   . - B     45 THR N   . mod.= 3.198 id.= 3.201 dev=  0.004 sig.= 0.000
B     43 ASP C   . - B     45 THR CA  . mod.= 4.482 id.= 4.487 dev=  0.005 sig.= 0.000
B     43 ASP C   . - B     45 THR C   . mod.= 4.764 id.= 4.768 dev=  0.004 sig.= 0.000
B     43 ASP C   . - B     45 THR O   . mod.= 5.968 id.= 5.972 dev=  0.004 sig.= 0.000
B     43 ASP C   . - B     46 HIS N   . mod.= 4.002 id.= 4.004 dev=  0.002 sig.= 0.000
B     43 ASP C   . - B     46 HIS O   . mod.= 5.774 id.= 5.772 dev= -0.003 sig.= 0.000
B     43 ASP C   . - B     49 LEU C   . mod.= 5.969 id.= 5.960 dev= -0.009 sig.= 0.000
B     43 ASP C   . - B     68 ASP N   . mod.= 5.888 id.= 5.893 dev=  0.005 sig.= 0.000
B     43 ASP O   . - B     44 TYR CA  . mod.= 2.836 id.= 2.831 dev= -0.005 sig.= 0.000
B     43 ASP O   . - B     46 HIS CA  . mod.= 3.888 id.= 3.885 dev= -0.004 sig.= 0.000
B     43 ASP O   . - B     49 LEU N   . mod.= 5.613 id.= 5.617 dev=  0.004 sig.= 0.000
B     43 ASP O   . - B     49 LEU O   . mod.= 5.410 id.= 5.407 dev= -0.003 sig.= 0.000
B     43 ASP O   . - B     50 ASP CA  . mod.= 6.001 id.= 5.999 dev= -0.003 sig.= 0.000
B     44 TYR N   . - B     44 TYR O   . mod.= 3.667 id.= 3.665 dev= -0.002 sig.= 0.000
B     44 TYR N   . - B     46 HIS N   . mod.= 4.413 id.= 4.415 dev=  0.002 sig.= 0.000
B     44 TYR N   . - B     49 LEU C   . mod.= 5.987 id.= 5.992 dev=  0.004 sig.= 0.000
B     44 TYR N   . - B     68 ASP N   . mod.= 5.994 id.= 5.989 dev= -0.005 sig.= 0.000
B     44 TYR CA  . - B     45 THR O   . mod.= 5.771 id.= 5.769 dev= -0.002 sig.= 0.000
B     44 TYR CA  . - B     46 HIS N   . mod.= 4.276 id.= 4.273 dev= -0.003 sig.= 0.000
B     44 TYR CA  . - B     46 HIS CA  . mod.= 5.510 id.= 5.504 dev= -0.005 sig.= 0.000
B     44 TYR CA  . - B     49 LEU O   . mod.= 4.792 id.= 4.789 dev= -0.003 sig.= 0.000
B     44 TYR CA  . - B     53 VAL N   . mod.= 5.873 id.= 5.863 dev= -0.010 sig.= 0.000
B     44 TYR CA  . - B     53 VAL CA  . mod.= 5.482 id.= 5.475 dev= -0.007 sig.= 0.000
B     44 TYR CA  . - B     53 VAL C   . mod.= 5.877 id.= 5.872 dev= -0.005 sig.= 0.000
B     44 TYR CA  . - B     53 VAL O   . mod.= 5.592 id.= 5.586 dev= -0.006 sig.= 0.000
B     44 TYR C   . - B     46 HIS C   . mod.= 5.111 id.= 5.113 dev=  0.002 sig.= 0.000
B     44 TYR C   . - B     49 LEU CA  . mod.= 5.689 id.= 5.693 dev=  0.004 sig.= 0.000
B     44 TYR C   . - B     49 LEU C   . mod.= 4.877 id.= 4.880 dev=  0.003 sig.= 0.000
B     44 TYR C   . - B     50 ASP N   . mod.= 4.587 id.= 4.589 dev=  0.002 sig.= 0.000
B     44 TYR C   . - B     50 ASP C   . mod.= 5.535 id.= 5.533 dev= -0.002 sig.= 0.000
B     44 TYR C   . - B     50 ASP O   . mod.= 5.704 id.= 5.698 dev= -0.006 sig.= 0.000
B     44 TYR O   . - B     49 LEU CA  . mod.= 5.542 id.= 5.545 dev=  0.003 sig.= 0.000
B     44 TYR O   . - B     49 LEU C   . mod.= 4.478 id.= 4.480 dev=  0.002 sig.= 0.000
B     44 TYR O   . - B     50 ASP O   . mod.= 4.586 id.= 4.580 dev= -0.005 sig.= 0.000
B     45 THR CA  . - B     50 ASP N   . mod.= 5.500 id.= 5.498 dev= -0.002 sig.= 0.000
B     45 THR O   . - B     46 HIS CA  . mod.= 2.800 id.= 2.803 dev=  0.003 sig.= 0.000
B     45 THR O   . - B     47 PRO N   . mod.= 3.589 id.= 3.591 dev=  0.003 sig.= 0.000
B     45 THR O   . - B     47 PRO C   . mod.= 5.869 id.= 5.871 dev=  0.002 sig.= 0.000
B     46 HIS N   . - B     47 PRO N   . mod.= 3.577 id.= 3.573 dev= -0.004 sig.= 0.000
B     46 HIS N   . - B     47 PRO C   . mod.= 5.633 id.= 5.636 dev=  0.002 sig.= 0.000
B     46 HIS N   . - B     49 LEU N   . mod.= 5.115 id.= 5.118 dev=  0.003 sig.= 0.000
B     46 HIS CA  . - B     47 PRO CA  . mod.= 3.905 id.= 3.901 dev= -0.004 sig.= 0.000
B     46 HIS CA  . - B     48 ASP C   . mod.= 5.458 id.= 5.460 dev=  0.002 sig.= 0.000
B     46 HIS CA  . - B     49 LEU CA  . mod.= 5.053 id.= 5.050 dev= -0.003 sig.= 0.000
B     46 HIS CA  . - B     49 LEU C   . mod.= 5.301 id.= 5.298 dev= -0.003 sig.= 0.000
B     46 HIS CA  . - B     50 ASP N   . mod.= 4.817 id.= 4.814 dev= -0.003 sig.= 0.000
B     46 HIS CA  . - B    217 ASN N   . mod.= 5.473 id.= 5.326 dev= -0.147 sig.= 0.000
B     46 HIS CA  . - B    217 ASN CA  . mod.= 5.589 id.= 5.411 dev= -0.178 sig.= 0.000
B     46 HIS C   . - B     48 ASP CA  . mod.= 4.423 id.= 4.425 dev=  0.002 sig.= 0.000
B     46 HIS C   . - B     48 ASP C   . mod.= 4.486 id.= 4.488 dev=  0.003 sig.= 0.000
B     46 HIS C   . - B     48 ASP O   . mod.= 5.656 id.= 5.658 dev=  0.002 sig.= 0.000
B     46 HIS C   . - B     50 ASP N   . mod.= 3.870 id.= 3.868 dev= -0.002 sig.= 0.000
B     46 HIS O   . - B     47 PRO C   . mod.= 3.177 id.= 3.179 dev=  0.002 sig.= 0.000
B     46 HIS O   . - B     48 ASP N   . mod.= 3.281 id.= 3.283 dev=  0.002 sig.= 0.000
B     46 HIS O   . - B     50 ASP N   . mod.= 2.634 id.= 2.631 dev= -0.002 sig.= 0.000
B     46 HIS O   . - B     50 ASP O   . mod.= 5.909 id.= 5.912 dev=  0.003 sig.= 0.000
B     47 PRO N   . - B     47 PRO O   . mod.= 3.649 id.= 3.656 dev=  0.007 sig.= 0.000
B     47 PRO N   . - B     49 LEU CA  . mod.= 5.262 id.= 5.259 dev= -0.003 sig.= 0.000
B     47 PRO N   . - B     50 ASP CA  . mod.= 5.543 id.= 5.548 dev=  0.005 sig.= 0.000
B     47 PRO N   . - B    217 ASN CA  . mod.= 5.879 id.= 5.661 dev= -0.219 sig.= 0.000
B     47 PRO CA  . - B     49 LEU C   . mod.= 5.689 id.= 5.692 dev=  0.003 sig.= 0.000
B     47 PRO CA  . - B     50 ASP N   . mod.= 4.811 id.= 4.814 dev=  0.003 sig.= 0.000
B     47 PRO CA  . - B     50 ASP CA  . mod.= 5.551 id.= 5.559 dev=  0.008 sig.= 0.000
B     47 PRO C   . - B     49 LEU CA  . mod.= 4.677 id.= 4.679 dev=  0.002 sig.= 0.000
B     47 PRO C   . - B     50 ASP CA  . mod.= 5.447 id.= 5.450 dev=  0.003 sig.= 0.000
B     47 PRO O   . - B     48 ASP CA  . mod.= 2.804 id.= 2.807 dev=  0.003 sig.= 0.000
B     47 PRO O   . - B     48 ASP C   . mod.= 3.558 id.= 3.555 dev= -0.003 sig.= 0.000
B     47 PRO O   . - B     50 ASP N   . mod.= 4.474 id.= 4.471 dev= -0.003 sig.= 0.000
B     47 PRO O   . - B     50 ASP C   . mod.= 5.918 id.= 5.921 dev=  0.003 sig.= 0.000
B     47 PRO O   . - B     51 GLY N   . mod.= 5.431 id.= 5.433 dev=  0.002 sig.= 0.000
B     48 ASP N   . - B     48 ASP O   . mod.= 3.613 id.= 3.610 dev= -0.003 sig.= 0.000
B     48 ASP N   . - B     50 ASP N   . mod.= 4.629 id.= 4.631 dev=  0.002 sig.= 0.000
B     48 ASP N   . - B     50 ASP CA  . mod.= 5.857 id.= 5.861 dev=  0.004 sig.= 0.000
B     48 ASP CA  . - B     49 LEU CA  . mod.= 3.837 id.= 3.835 dev= -0.003 sig.= 0.000
B     48 ASP CA  . - B     49 LEU C   . mod.= 4.891 id.= 4.888 dev= -0.003 sig.= 0.000
B     48 ASP CA  . - B     49 LEU O   . mod.= 5.997 id.= 5.995 dev= -0.002 sig.= 0.000
B     48 ASP CA  . - B     82 ALA CA  . mod.= 5.705 id.= 5.696 dev= -0.008 sig.= 0.000
B     48 ASP CA  . - B     82 ALA C   . mod.= 5.669 id.= 5.665 dev= -0.005 sig.= 0.000
B     48 ASP CA  . - B     83 GLU N   . mod.= 4.634 id.= 4.631 dev= -0.003 sig.= 0.000
B     48 ASP CA  . - B     83 GLU CA  . mod.= 5.012 id.= 5.016 dev=  0.004 sig.= 0.000
B     48 ASP CA  . - B     83 GLU C   . mod.= 5.567 id.= 5.569 dev=  0.003 sig.= 0.000
B     48 ASP CA  . - B     83 GLU O   . mod.= 5.136 id.= 5.139 dev=  0.003 sig.= 0.000
B     48 ASP CA  . - B     88 THR O   . mod.= 5.664 id.= 5.669 dev=  0.005 sig.= 0.000
B     48 ASP C   . - B     83 GLU CA  . mod.= 4.642 id.= 4.645 dev=  0.003 sig.= 0.000
B     48 ASP C   . - B     83 GLU O   . mod.= 5.335 id.= 5.337 dev=  0.003 sig.= 0.000
B     48 ASP O   . - B     81 ALA O   . mod.= 5.220 id.= 5.216 dev= -0.005 sig.= 0.000
B     48 ASP O   . - B     83 GLU CA  . mod.= 3.788 id.= 3.790 dev=  0.002 sig.= 0.000
B     48 ASP O   . - B     83 GLU C   . mod.= 4.726 id.= 4.729 dev=  0.002 sig.= 0.000
B     48 ASP O   . - B     83 GLU O   . mod.= 4.611 id.= 4.614 dev=  0.004 sig.= 0.000
B     48 ASP O   . - B     84 THR N   . mod.= 5.955 id.= 5.957 dev=  0.002 sig.= 0.000
B     49 LEU N   . - B     50 ASP CA  . mod.= 4.263 id.= 4.261 dev= -0.002 sig.= 0.000
B     49 LEU N   . - B     83 GLU N   . mod.= 5.004 id.= 5.006 dev=  0.002 sig.= 0.000
B     49 LEU N   . - B     83 GLU CA  . mod.= 5.642 id.= 5.646 dev=  0.005 sig.= 0.000
B     49 LEU CA  . - B     50 ASP C   . mod.= 4.651 id.= 4.654 dev=  0.003 sig.= 0.000
B     49 LEU CA  . - B     50 ASP O   . mod.= 5.725 id.= 5.729 dev=  0.003 sig.= 0.000
B     49 LEU CA  . - B     52 LYS C   . mod.= 5.701 id.= 5.696 dev= -0.005 sig.= 0.000
B     49 LEU CA  . - B     53 VAL N   . mod.= 5.180 id.= 5.175 dev= -0.005 sig.= 0.000
B     49 LEU CA  . - B     82 ALA CA  . mod.= 5.568 id.= 5.570 dev=  0.003 sig.= 0.000
B     49 LEU CA  . - B     82 ALA C   . mod.= 5.920 id.= 5.924 dev=  0.005 sig.= 0.000
B     49 LEU CA  . - B     83 GLU N   . mod.= 5.175 id.= 5.179 dev=  0.005 sig.= 0.000
B     49 LEU CA  . - B     83 GLU CA  . mod.= 5.954 id.= 5.959 dev=  0.006 sig.= 0.000
B     49 LEU C   . - B     51 GLY CA  . mod.= 4.536 id.= 4.533 dev= -0.003 sig.= 0.000
B     49 LEU C   . - B     52 LYS N   . mod.= 3.783 id.= 3.781 dev= -0.002 sig.= 0.000
B     49 LEU C   . - B     52 LYS C   . mod.= 4.912 id.= 4.908 dev= -0.003 sig.= 0.000
B     49 LEU C   . - B     53 VAL N   . mod.= 4.239 id.= 4.236 dev= -0.003 sig.= 0.000
B     49 LEU O   . - B     50 ASP C   . mod.= 3.181 id.= 3.184 dev=  0.003 sig.= 0.000
B     49 LEU O   . - B     51 GLY N   . mod.= 3.337 id.= 3.339 dev=  0.002 sig.= 0.000
B     49 LEU O   . - B     52 LYS C   . mod.= 3.779 id.= 3.775 dev= -0.004 sig.= 0.000
B     49 LEU O   . - B     52 LYS O   . mod.= 4.949 id.= 4.941 dev= -0.008 sig.= 0.000
B     49 LEU O   . - B     53 VAL N   . mod.= 3.018 id.= 3.014 dev= -0.004 sig.= 0.000
B     49 LEU O   . - B     53 VAL C   . mod.= 5.055 id.= 5.057 dev=  0.003 sig.= 0.000
B     50 ASP N   . - B     50 ASP O   . mod.= 3.695 id.= 3.698 dev=  0.003 sig.= 0.000
B     50 ASP N   . - B     51 GLY CA  . mod.= 4.308 id.= 4.305 dev= -0.003 sig.= 0.000
B     50 ASP N   . - B     52 LYS CA  . mod.= 5.346 id.= 5.348 dev=  0.002 sig.= 0.000
B     50 ASP N   . - B     53 VAL CA  . mod.= 5.984 id.= 5.988 dev=  0.004 sig.= 0.000
B     50 ASP CA  . - B     51 GLY CA  . mod.= 3.817 id.= 3.813 dev= -0.004 sig.= 0.000
B     50 ASP CA  . - B     52 LYS N   . mod.= 4.235 id.= 4.233 dev= -0.002 sig.= 0.000
B     50 ASP CA  . - B     52 LYS CA  . mod.= 5.442 id.= 5.439 dev= -0.003 sig.= 0.000
B     50 ASP CA  . - B     52 LYS C   . mod.= 5.744 id.= 5.742 dev= -0.003 sig.= 0.000
B     50 ASP CA  . - B     53 VAL N   . mod.= 4.953 id.= 4.951 dev= -0.002 sig.= 0.000
B     50 ASP CA  . - B     53 VAL O   . mod.= 5.836 id.= 5.844 dev=  0.008 sig.= 0.000
B     50 ASP C   . - B     53 VAL N   . mod.= 4.552 id.= 4.555 dev=  0.003 sig.= 0.000
B     50 ASP C   . - B     53 VAL CA  . mod.= 5.591 id.= 5.593 dev=  0.002 sig.= 0.000
B     50 ASP C   . - B     53 VAL O   . mod.= 5.425 id.= 5.435 dev=  0.010 sig.= 0.000
B     50 ASP O   . - B     52 LYS CA  . mod.= 4.958 id.= 4.956 dev= -0.003 sig.= 0.000
B     50 ASP O   . - B     53 VAL CA  . mod.= 5.477 id.= 5.474 dev= -0.003 sig.= 0.000
B     50 ASP O   . - B     53 VAL C   . mod.= 5.578 id.= 5.583 dev=  0.006 sig.= 0.000
B     50 ASP O   . - B     53 VAL O   . mod.= 4.809 id.= 4.814 dev=  0.005 sig.= 0.000
B     51 GLY N   . - B     53 VAL N   . mod.= 4.715 id.= 4.719 dev=  0.004 sig.= 0.000
B     51 GLY N   . - B     53 VAL CA  . mod.= 5.976 id.= 5.979 dev=  0.004 sig.= 0.000
B     51 GLY CA  . - B     52 LYS C   . mod.= 4.824 id.= 4.828 dev=  0.004 sig.= 0.000
B     51 GLY CA  . - B     52 LYS O   . mod.= 5.844 id.= 5.847 dev=  0.003 sig.= 0.000
B     51 GLY CA  . - B     53 VAL N   . mod.= 4.933 id.= 4.938 dev=  0.005 sig.= 0.000
B     51 GLY C   . - B     52 LYS O   . mod.= 4.474 id.= 4.471 dev= -0.003 sig.= 0.000
B     51 GLY C   . - B     53 VAL C   . mod.= 5.913 id.= 5.916 dev=  0.003 sig.= 0.000
B     51 GLY C   . - B     53 VAL O   . mod.= 5.783 id.= 5.785 dev=  0.003 sig.= 0.000
B     51 GLY O   . - B     52 LYS CA  . mod.= 2.784 id.= 2.779 dev= -0.005 sig.= 0.000
B     51 GLY O   . - B     53 VAL CA  . mod.= 5.931 id.= 5.928 dev= -0.002 sig.= 0.000
B     52 LYS N   . - B     52 LYS O   . mod.= 3.606 id.= 3.603 dev= -0.003 sig.= 0.000
B     52 LYS N   . - B     53 VAL C   . mod.= 5.093 id.= 5.096 dev=  0.004 sig.= 0.000
B     52 LYS N   . - B     53 VAL O   . mod.= 5.141 id.= 5.144 dev=  0.002 sig.= 0.000
B     52 LYS CA  . - B     53 VAL CA  . mod.= 3.797 id.= 3.800 dev=  0.004 sig.= 0.000
B     52 LYS CA  . - B     53 VAL C   . mod.= 4.717 id.= 4.719 dev=  0.002 sig.= 0.000
B     52 LYS CA  . - B     81 ALA O   . mod.= 5.411 id.= 5.425 dev=  0.013 sig.= 0.000
B     52 LYS CA  . - B     97 THR C   . mod.= 5.884 id.= 5.881 dev= -0.003 sig.= 0.000
B     52 LYS CA  . - B     98 ARG N   . mod.= 5.731 id.= 5.724 dev= -0.007 sig.= 0.000
B     52 LYS CA  . - B     98 ARG CA  . mod.= 4.742 id.= 4.736 dev= -0.005 sig.= 0.000
B     52 LYS CA  . - B     99 ILE CA  . mod.= 5.782 id.= 5.785 dev=  0.003 sig.= 0.000
B     52 LYS C   . - B     54 ILE CA  . mod.= 5.290 id.= 5.287 dev= -0.003 sig.= 0.000
B     52 LYS C   . - B     98 ARG N   . mod.= 5.724 id.= 5.720 dev= -0.005 sig.= 0.000
B     52 LYS C   . - B     98 ARG CA  . mod.= 4.469 id.= 4.465 dev= -0.004 sig.= 0.000
B     52 LYS O   . - B     54 ILE CA  . mod.= 4.887 id.= 4.884 dev= -0.004 sig.= 0.000
B     52 LYS O   . - B     98 ARG N   . mod.= 4.821 id.= 4.818 dev= -0.003 sig.= 0.000
B     52 LYS O   . - B     98 ARG CA  . mod.= 3.463 id.= 3.461 dev= -0.002 sig.= 0.000
B     52 LYS O   . - B    100 LEU N   . mod.= 5.458 id.= 5.453 dev= -0.004 sig.= 0.000
B     53 VAL N   . - B     54 ILE C   . mod.= 5.751 id.= 5.758 dev=  0.007 sig.= 0.000
B     53 VAL N   . - B     98 ARG CA  . mod.= 5.650 id.= 5.647 dev= -0.002 sig.= 0.000
B     53 VAL CA  . - B     54 ILE C   . mod.= 4.456 id.= 4.460 dev=  0.004 sig.= 0.000
B     53 VAL CA  . - B     99 ILE N   . mod.= 4.554 id.= 4.557 dev=  0.002 sig.= 0.000
B     53 VAL CA  . - B     99 ILE CA  . mod.= 4.712 id.= 4.717 dev=  0.006 sig.= 0.000
B     53 VAL CA  . - B    100 LEU N   . mod.= 5.634 id.= 5.631 dev= -0.003 sig.= 0.000
B     53 VAL CA  . - B    101 ALA N   . mod.= 5.799 id.= 5.806 dev=  0.007 sig.= 0.000
B     53 VAL C   . - B     54 ILE C   . mod.= 3.291 id.= 3.296 dev=  0.006 sig.= 0.000
B     53 VAL C   . - B     55 LYS N   . mod.= 4.091 id.= 4.094 dev=  0.003 sig.= 0.000
B     53 VAL C   . - B     55 LYS CA  . mod.= 5.280 id.= 5.287 dev=  0.007 sig.= 0.000
B     53 VAL C   . - B    100 LEU N   . mod.= 5.798 id.= 5.794 dev= -0.003 sig.= 0.000
B     53 VAL C   . - B    100 LEU CA  . mod.= 5.852 id.= 5.861 dev=  0.009 sig.= 0.000
B     53 VAL O   . - B     54 ILE CA  . mod.= 2.821 id.= 2.826 dev=  0.005 sig.= 0.000
B     53 VAL O   . - B     54 ILE C   . mod.= 3.688 id.= 3.698 dev=  0.010 sig.= 0.000
B     53 VAL O   . - B     55 LYS N   . mod.= 4.128 id.= 4.136 dev=  0.008 sig.= 0.000
B     53 VAL O   . - B     55 LYS CA  . mod.= 5.350 id.= 5.360 dev=  0.010 sig.= 0.000
B     54 ILE N   . - B     55 LYS N   . mod.= 3.428 id.= 3.426 dev= -0.003 sig.= 0.000
B     54 ILE N   . - B     55 LYS O   . mod.= 5.985 id.= 5.988 dev=  0.002 sig.= 0.000
B     54 ILE N   . - B    100 LEU CA  . mod.= 4.736 id.= 4.743 dev=  0.007 sig.= 0.000
B     54 ILE N   . - B    101 ALA N   . mod.= 4.844 id.= 4.842 dev= -0.002 sig.= 0.000
B     54 ILE N   . - B    101 ALA CA  . mod.= 5.907 id.= 5.905 dev= -0.002 sig.= 0.000
B     54 ILE CA  . - B     55 LYS C   . mod.= 4.509 id.= 4.514 dev=  0.004 sig.= 0.000
B     54 ILE CA  . - B     55 LYS O   . mod.= 4.784 id.= 4.789 dev=  0.004 sig.= 0.000
B     54 ILE CA  . - B     56 GLY N   . mod.= 5.307 id.= 5.314 dev=  0.007 sig.= 0.000
B     54 ILE CA  . - B     99 ILE N   . mod.= 5.910 id.= 5.906 dev= -0.005 sig.= 0.000
B     54 ILE CA  . - B     99 ILE C   . mod.= 4.839 id.= 4.843 dev=  0.003 sig.= 0.000
B     54 ILE CA  . - B     99 ILE O   . mod.= 3.654 id.= 3.657 dev=  0.003 sig.= 0.000
B     54 ILE CA  . - B    100 LEU N   . mod.= 5.430 id.= 5.434 dev=  0.003 sig.= 0.000
B     54 ILE CA  . - B    100 LEU CA  . mod.= 4.976 id.= 4.981 dev=  0.005 sig.= 0.000
B     54 ILE CA  . - B    100 LEU C   . mod.= 5.644 id.= 5.649 dev=  0.005 sig.= 0.000
B     54 ILE CA  . - B    101 ALA N   . mod.= 5.112 id.= 5.118 dev=  0.006 sig.= 0.000
B     54 ILE C   . - B     56 GLY CA  . mod.= 5.069 id.= 5.072 dev=  0.002 sig.= 0.000
B     54 ILE C   . - B     99 ILE C   . mod.= 4.992 id.= 4.990 dev= -0.002 sig.= 0.000
B     54 ILE C   . - B     99 ILE O   . mod.= 3.932 id.= 3.929 dev= -0.003 sig.= 0.000
B     54 ILE C   . - B    100 LEU N   . mod.= 5.314 id.= 5.310 dev= -0.004 sig.= 0.000
B     54 ILE C   . - B    100 LEU CA  . mod.= 4.546 id.= 4.544 dev= -0.002 sig.= 0.000
B     54 ILE C   . - B    100 LEU C   . mod.= 4.874 id.= 4.872 dev= -0.002 sig.= 0.000
B     54 ILE C   . - B    101 ALA CA  . mod.= 5.068 id.= 5.070 dev=  0.003 sig.= 0.000
B     54 ILE C   . - B    101 ALA C   . mod.= 5.687 id.= 5.690 dev=  0.003 sig.= 0.000
B     54 ILE C   . - B    101 ALA O   . mod.= 5.256 id.= 5.259 dev=  0.003 sig.= 0.000
B     54 ILE O   . - B     55 LYS CA  . mod.= 2.792 id.= 2.789 dev= -0.003 sig.= 0.000
B     54 ILE O   . - B     56 GLY CA  . mod.= 4.674 id.= 4.679 dev=  0.005 sig.= 0.000
B     54 ILE O   . - B     56 GLY C   . mod.= 5.829 id.= 5.832 dev=  0.003 sig.= 0.000
B     54 ILE O   . - B    100 LEU CA  . mod.= 3.506 id.= 3.513 dev=  0.008 sig.= 0.000
B     54 ILE O   . - B    101 ALA CA  . mod.= 3.918 id.= 3.914 dev= -0.003 sig.= 0.000
B     55 LYS N   . - B     56 GLY CA  . mod.= 4.759 id.= 4.762 dev=  0.003 sig.= 0.000
B     55 LYS N   . - B     56 GLY C   . mod.= 5.676 id.= 5.679 dev=  0.003 sig.= 0.000
B     55 LYS N   . - B     56 GLY O   . mod.= 5.478 id.= 5.481 dev=  0.002 sig.= 0.000
B     55 LYS N   . - B     99 ILE O   . mod.= 5.250 id.= 5.246 dev= -0.004 sig.= 0.000
B     55 LYS N   . - B    100 LEU CA  . mod.= 5.672 id.= 5.668 dev= -0.003 sig.= 0.000
B     55 LYS N   . - B    100 LEU C   . mod.= 5.830 id.= 5.826 dev= -0.004 sig.= 0.000
B     55 LYS N   . - B    101 ALA N   . mod.= 4.939 id.= 4.936 dev= -0.002 sig.= 0.000
B     55 LYS N   . - B    101 ALA O   . mod.= 5.362 id.= 5.364 dev=  0.002 sig.= 0.000
B     55 LYS CA  . - B     56 GLY O   . mod.= 4.091 id.= 4.093 dev=  0.002 sig.= 0.000
B     55 LYS CA  . - B     57 TYR N   . mod.= 5.745 id.= 5.742 dev= -0.003 sig.= 0.000
B     55 LYS CA  . - B     64 TYR O   . mod.= 5.385 id.= 5.383 dev= -0.002 sig.= 0.000
B     55 LYS CA  . - B     66 PRO N   . mod.= 5.752 id.= 5.756 dev=  0.004 sig.= 0.000
B     55 LYS CA  . - B    101 ALA N   . mod.= 4.809 id.= 4.813 dev=  0.004 sig.= 0.000
B     55 LYS CA  . - B    101 ALA CA  . mod.= 5.194 id.= 5.204 dev=  0.009 sig.= 0.000
B     55 LYS CA  . - B    101 ALA C   . mod.= 5.259 id.= 5.268 dev=  0.009 sig.= 0.000
B     55 LYS CA  . - B    101 ALA O   . mod.= 4.424 id.= 4.433 dev=  0.009 sig.= 0.000
B     55 LYS C   . - B     56 GLY C   . mod.= 3.275 id.= 3.278 dev=  0.003 sig.= 0.000
B     55 LYS C   . - B     56 GLY O   . mod.= 3.262 id.= 3.264 dev=  0.002 sig.= 0.000
B     55 LYS C   . - B    100 LEU CA  . mod.= 5.815 id.= 5.809 dev= -0.006 sig.= 0.000
B     55 LYS C   . - B    100 LEU C   . mod.= 5.690 id.= 5.687 dev= -0.003 sig.= 0.000
B     55 LYS O   . - B    101 ALA N   . mod.= 5.853 id.= 5.851 dev= -0.002 sig.= 0.000
B     56 GLY N   . - B     57 TYR C   . mod.= 5.342 id.= 5.345 dev=  0.002 sig.= 0.000
B     56 GLY N   . - B     57 TYR O   . mod.= 5.232 id.= 5.235 dev=  0.002 sig.= 0.000
B     56 GLY N   . - B     66 PRO CA  . mod.= 5.979 id.= 5.975 dev= -0.005 sig.= 0.000
B     56 GLY N   . - B    100 LEU CA  . mod.= 5.427 id.= 5.423 dev= -0.004 sig.= 0.000
B     56 GLY CA  . - B     57 TYR C   . mod.= 4.658 id.= 4.663 dev=  0.004 sig.= 0.000
B     56 GLY CA  . - B     57 TYR O   . mod.= 4.624 id.= 4.628 dev=  0.004 sig.= 0.000
B     56 GLY CA  . - B     58 ASP N   . mod.= 5.752 id.= 5.757 dev=  0.005 sig.= 0.000
B     56 GLY CA  . - B    100 LEU CA  . mod.= 5.862 id.= 5.856 dev= -0.007 sig.= 0.000
B     56 GLY CA  . - B    101 ALA CA  . mod.= 5.233 id.= 5.231 dev= -0.003 sig.= 0.000
B     56 GLY C   . - B     58 ASP CA  . mod.= 5.474 id.= 5.477 dev=  0.003 sig.= 0.000
B     56 GLY C   . - B     63 ASP O   . mod.= 5.508 id.= 5.506 dev= -0.002 sig.= 0.000
B     56 GLY C   . - B    101 ALA CA  . mod.= 5.822 id.= 5.819 dev= -0.003 sig.= 0.000
B     56 GLY O   . - B     57 TYR CA  . mod.= 2.751 id.= 2.748 dev= -0.003 sig.= 0.000
B     56 GLY O   . - B     58 ASP CA  . mod.= 5.061 id.= 5.064 dev=  0.003 sig.= 0.000
B     56 GLY O   . - B     63 ASP C   . mod.= 5.699 id.= 5.697 dev= -0.002 sig.= 0.000
B     56 GLY O   . - B     65 ASP N   . mod.= 4.801 id.= 4.804 dev=  0.004 sig.= 0.000
B     56 GLY O   . - B     65 ASP CA  . mod.= 5.284 id.= 5.279 dev= -0.005 sig.= 0.000
B     56 GLY O   . - B     65 ASP C   . mod.= 5.077 id.= 5.073 dev= -0.004 sig.= 0.000
B     56 GLY O   . - B     66 PRO N   . mod.= 4.267 id.= 4.269 dev=  0.002 sig.= 0.000
B     56 GLY O   . - B     66 PRO C   . mod.= 5.985 id.= 5.988 dev=  0.003 sig.= 0.000
B     56 GLY O   . - B    101 ALA CA  . mod.= 5.888 id.= 5.884 dev= -0.004 sig.= 0.000
B     56 GLY O   . - B    102 VAL N   . mod.= 5.566 id.= 5.564 dev= -0.002 sig.= 0.000
B     56 GLY O   . - B    102 VAL CA  . mod.= 5.221 id.= 5.218 dev= -0.003 sig.= 0.000
B     57 TYR N   . - B     58 ASP CA  . mod.= 4.995 id.= 4.997 dev=  0.002 sig.= 0.000
B     57 TYR N   . - B     63 ASP O   . mod.= 5.151 id.= 5.148 dev= -0.003 sig.= 0.000
B     57 TYR N   . - B     64 TYR C   . mod.= 5.773 id.= 5.769 dev= -0.004 sig.= 0.000
B     57 TYR N   . - B     64 TYR O   . mod.= 5.903 id.= 5.900 dev= -0.003 sig.= 0.000
B     57 TYR N   . - B    101 ALA C   . mod.= 5.286 id.= 5.283 dev= -0.002 sig.= 0.000
B     57 TYR N   . - B    101 ALA O   . mod.= 4.214 id.= 4.212 dev= -0.002 sig.= 0.000
B     57 TYR CA  . - B     58 ASP CA  . mod.= 3.852 id.= 3.858 dev=  0.006 sig.= 0.000
B     57 TYR CA  . - B     59 PHE N   . mod.= 4.998 id.= 5.002 dev=  0.004 sig.= 0.000
B     57 TYR CA  . - B     64 TYR CA  . mod.= 4.774 id.= 4.777 dev=  0.003 sig.= 0.000
B     57 TYR CA  . - B    101 ALA O   . mod.= 5.149 id.= 5.146 dev= -0.003 sig.= 0.000
B     57 TYR CA  . - B    102 VAL CA  . mod.= 5.366 id.= 5.363 dev= -0.003 sig.= 0.000
B     57 TYR C   . - B     64 TYR CA  . mod.= 5.216 id.= 5.219 dev=  0.003 sig.= 0.000
B     57 TYR C   . - B     65 ASP C   . mod.= 5.750 id.= 5.747 dev= -0.003 sig.= 0.000
B     57 TYR C   . - B     66 PRO N   . mod.= 5.283 id.= 5.288 dev=  0.004 sig.= 0.000
B     57 TYR C   . - B     66 PRO CA  . mod.= 5.194 id.= 5.199 dev=  0.005 sig.= 0.000
B     57 TYR C   . - B    101 ALA C   . mod.= 5.807 id.= 5.805 dev= -0.002 sig.= 0.000
B     57 TYR C   . - B    102 VAL N   . mod.= 5.782 id.= 5.779 dev= -0.003 sig.= 0.000
B     57 TYR C   . - B    102 VAL CA  . mod.= 4.697 id.= 4.693 dev= -0.004 sig.= 0.000
B     57 TYR C   . - B    103 ARG CA  . mod.= 5.088 id.= 5.093 dev=  0.005 sig.= 0.000
B     57 TYR C   . - B    103 ARG C   . mod.= 5.355 id.= 5.359 dev=  0.004 sig.= 0.000
B     57 TYR C   . - B    103 ARG O   . mod.= 4.709 id.= 4.713 dev=  0.004 sig.= 0.000
B     57 TYR O   . - B    101 ALA C   . mod.= 4.893 id.= 4.891 dev= -0.003 sig.= 0.000
B     57 TYR O   . - B    102 VAL N   . mod.= 4.695 id.= 4.692 dev= -0.003 sig.= 0.000
B     57 TYR O   . - B    102 VAL CA  . mod.= 3.531 id.= 3.527 dev= -0.004 sig.= 0.000
B     57 TYR O   . - B    102 VAL O   . mod.= 4.957 id.= 4.955 dev= -0.002 sig.= 0.000
B     57 TYR O   . - B    103 ARG CA  . mod.= 4.098 id.= 4.103 dev=  0.005 sig.= 0.000
B     57 TYR O   . - B    103 ARG C   . mod.= 4.453 id.= 4.458 dev=  0.005 sig.= 0.000
B     57 TYR O   . - B    103 ARG O   . mod.= 3.993 id.= 3.997 dev=  0.005 sig.= 0.000
B     57 TYR O   . - B    104 ALA N   . mod.= 5.674 id.= 5.679 dev=  0.004 sig.= 0.000
B     58 ASP N   . - B     62 ASN CA  . mod.= 5.775 id.= 5.770 dev= -0.005 sig.= 0.000
B     58 ASP N   . - B     63 ASP CA  . mod.= 4.908 id.= 4.904 dev= -0.004 sig.= 0.000
B     58 ASP N   . - B     65 ASP CA  . mod.= 5.793 id.= 5.791 dev= -0.003 sig.= 0.000
B     58 ASP N   . - B     65 ASP C   . mod.= 5.158 id.= 5.154 dev= -0.005 sig.= 0.000
B     58 ASP N   . - B     65 ASP O   . mod.= 5.374 id.= 5.371 dev= -0.003 sig.= 0.000
B     58 ASP N   . - B     66 PRO N   . mod.= 4.984 id.= 4.986 dev=  0.003 sig.= 0.000
B     58 ASP N   . - B     66 PRO CA  . mod.= 4.983 id.= 4.987 dev=  0.005 sig.= 0.000
B     58 ASP N   . - B    102 VAL CA  . mod.= 5.706 id.= 5.701 dev= -0.004 sig.= 0.000
B     58 ASP N   . - B    102 VAL C   . mod.= 5.709 id.= 5.706 dev= -0.003 sig.= 0.000
B     58 ASP N   . - B    103 ARG CA  . mod.= 5.255 id.= 5.257 dev=  0.002 sig.= 0.000
B     58 ASP CA  . - B     61 ASP CA  . mod.= 5.927 id.= 5.936 dev=  0.010 sig.= 0.000
B     58 ASP CA  . - B     61 ASP C   . mod.= 5.865 id.= 5.871 dev=  0.006 sig.= 0.000
B     58 ASP CA  . - B     62 ASN N   . mod.= 5.086 id.= 5.091 dev=  0.004 sig.= 0.000
B     58 ASP CA  . - B     62 ASN C   . mod.= 5.543 id.= 5.549 dev=  0.006 sig.= 0.000
B     58 ASP CA  . - B     63 ASP N   . mod.= 4.584 id.= 4.588 dev=  0.005 sig.= 0.000
B     58 ASP CA  . - B     63 ASP C   . mod.= 4.537 id.= 4.540 dev=  0.002 sig.= 0.000
B     58 ASP CA  . - B     63 ASP O   . mod.= 3.497 id.= 3.499 dev=  0.002 sig.= 0.000
B     58 ASP CA  . - B     64 TYR CA  . mod.= 5.687 id.= 5.691 dev=  0.004 sig.= 0.000
B     58 ASP CA  . - B     65 ASP C   . mod.= 5.141 id.= 5.136 dev= -0.005 sig.= 0.000
B     58 ASP CA  . - B     65 ASP O   . mod.= 5.029 id.= 5.025 dev= -0.004 sig.= 0.000
B     58 ASP CA  . - B     66 PRO N   . mod.= 5.064 id.= 5.067 dev=  0.003 sig.= 0.000
B     58 ASP CA  . - B     66 PRO CA  . mod.= 4.766 id.= 4.771 dev=  0.005 sig.= 0.000
B     58 ASP CA  . - B    102 VAL CA  . mod.= 5.861 id.= 5.856 dev= -0.005 sig.= 0.000
B     58 ASP CA  . - B    102 VAL C   . mod.= 5.473 id.= 5.468 dev= -0.005 sig.= 0.000
B     58 ASP CA  . - B    103 ARG N   . mod.= 4.275 id.= 4.271 dev= -0.004 sig.= 0.000
B     58 ASP CA  . - B    103 ARG CA  . mod.= 4.419 id.= 4.417 dev= -0.002 sig.= 0.000
B     58 ASP CA  . - B    103 ARG C   . mod.= 4.479 id.= 4.473 dev= -0.006 sig.= 0.000
B     58 ASP CA  . - B    103 ARG O   . mod.= 3.698 id.= 3.691 dev= -0.008 sig.= 0.000
B     58 ASP CA  . - B    104 ALA N   . mod.= 5.763 id.= 5.758 dev= -0.005 sig.= 0.000
B     58 ASP C   . - B     60 VAL C   . mod.= 4.957 id.= 4.959 dev=  0.002 sig.= 0.000
B     58 ASP C   . - B     60 VAL O   . mod.= 5.979 id.= 5.982 dev=  0.003 sig.= 0.000
B     58 ASP C   . - B     61 ASP N   . mod.= 4.423 id.= 4.425 dev=  0.003 sig.= 0.000
B     58 ASP C   . - B     61 ASP CA  . mod.= 5.279 id.= 5.284 dev=  0.005 sig.= 0.000
B     58 ASP C   . - B     61 ASP C   . mod.= 5.097 id.= 5.099 dev=  0.002 sig.= 0.000
B     58 ASP C   . - B     62 ASN CA  . mod.= 4.424 id.= 4.420 dev= -0.004 sig.= 0.000
B     58 ASP C   . - B    103 ARG CA  . mod.= 5.156 id.= 5.161 dev=  0.005 sig.= 0.000
B     58 ASP O   . - B     60 VAL CA  . mod.= 4.670 id.= 4.668 dev= -0.002 sig.= 0.000
B     58 ASP O   . - B     62 ASN CA  . mod.= 3.213 id.= 3.210 dev= -0.003 sig.= 0.000
B     59 PHE N   . - B     62 ASN CA  . mod.= 5.159 id.= 5.157 dev= -0.003 sig.= 0.000
B     59 PHE N   . - B    102 VAL C   . mod.= 5.890 id.= 5.886 dev= -0.004 sig.= 0.000
B     59 PHE N   . - B    103 ARG N   . mod.= 4.853 id.= 4.850 dev= -0.002 sig.= 0.000
B     59 PHE CA  . - B     61 ASP CA  . mod.= 5.723 id.= 5.719 dev= -0.004 sig.= 0.000
B     59 PHE CA  . - B     63 ASP O   . mod.= 5.963 id.= 5.965 dev=  0.002 sig.= 0.000
B     59 PHE CA  . - B    103 ARG O   . mod.= 3.644 id.= 3.648 dev=  0.003 sig.= 0.000
B     59 PHE CA  . - B    115 ASP O   . mod.= 5.685 id.= 5.663 dev= -0.021 sig.= 0.000
B     59 PHE C   . - B     60 VAL O   . mod.= 3.823 id.= 3.820 dev= -0.002 sig.= 0.000
B     59 PHE C   . - B     61 ASP CA  . mod.= 4.759 id.= 4.753 dev= -0.006 sig.= 0.000
B     59 PHE C   . - B     61 ASP C   . mod.= 4.945 id.= 4.943 dev= -0.002 sig.= 0.000
B     59 PHE C   . - B    104 ALA CA  . mod.= 5.275 id.= 5.272 dev= -0.003 sig.= 0.000
B     59 PHE C   . - B    115 ASP CA  . mod.= 5.686 id.= 5.678 dev= -0.008 sig.= 0.000
B     59 PHE O   . - B     60 VAL C   . mod.= 3.218 id.= 3.220 dev=  0.003 sig.= 0.000
B     59 PHE O   . - B     61 ASP N   . mod.= 3.906 id.= 3.909 dev=  0.003 sig.= 0.000
B     59 PHE O   . - B     61 ASP CA  . mod.= 4.931 id.= 4.923 dev= -0.008 sig.= 0.000
B     59 PHE O   . - B     61 ASP C   . mod.= 5.027 id.= 5.025 dev= -0.002 sig.= 0.000
B     59 PHE O   . - B    115 ASP CA  . mod.= 5.401 id.= 5.389 dev= -0.012 sig.= 0.000
B     60 VAL N   . - B    103 ARG CA  . mod.= 5.597 id.= 5.601 dev=  0.004 sig.= 0.000
B     60 VAL N   . - B    104 ALA CA  . mod.= 4.793 id.= 4.788 dev= -0.005 sig.= 0.000
B     60 VAL N   . - B    105 LEU N   . mod.= 5.994 id.= 5.998 dev=  0.005 sig.= 0.000
B     60 VAL CA  . - B    103 ARG C   . mod.= 5.424 id.= 5.428 dev=  0.003 sig.= 0.000
B     60 VAL CA  . - B    104 ALA N   . mod.= 5.755 id.= 5.759 dev=  0.003 sig.= 0.000
B     60 VAL CA  . - B    104 ALA CA  . mod.= 5.334 id.= 5.330 dev= -0.004 sig.= 0.000
B     60 VAL O   . - B     61 ASP CA  . mod.= 2.785 id.= 2.781 dev= -0.005 sig.= 0.000
B     61 ASP N   . - B     62 ASN C   . mod.= 5.120 id.= 5.125 dev=  0.005 sig.= 0.000
B     61 ASP N   . - B    103 ARG O   . mod.= 5.954 id.= 5.952 dev= -0.002 sig.= 0.000
B     61 ASP CA  . - B     62 ASN CA  . mod.= 3.825 id.= 3.814 dev= -0.011 sig.= 0.000
B     61 ASP CA  . - B     62 ASN O   . mod.= 5.428 id.= 5.422 dev= -0.006 sig.= 0.000
B     61 ASP CA  . - B     63 ASP N   . mod.= 4.668 id.= 4.665 dev= -0.002 sig.= 0.000
B     61 ASP CA  . - B     63 ASP CA  . mod.= 5.789 id.= 5.784 dev= -0.005 sig.= 0.000
B     61 ASP C   . - B     62 ASN C   . mod.= 3.187 id.= 3.190 dev=  0.003 sig.= 0.000
B     61 ASP C   . - B     63 ASP CA  . mod.= 4.724 id.= 4.722 dev= -0.002 sig.= 0.000
B     61 ASP O   . - B     62 ASN C   . mod.= 3.175 id.= 3.181 dev=  0.006 sig.= 0.000
B     61 ASP O   . - B     62 ASN O   . mod.= 3.573 id.= 3.576 dev=  0.002 sig.= 0.000
B     61 ASP O   . - B     63 ASP CA  . mod.= 4.662 id.= 4.659 dev= -0.002 sig.= 0.000
B     62 ASN N   . - B     62 ASN O   . mod.= 3.542 id.= 3.545 dev=  0.003 sig.= 0.000
B     62 ASN CA  . - B     63 ASP O   . mod.= 4.704 id.= 4.701 dev= -0.003 sig.= 0.000
B     62 ASN C   . - B     63 ASP C   . mod.= 3.612 id.= 3.615 dev=  0.003 sig.= 0.000
B     62 ASN O   . - B     63 ASP CA  . mod.= 2.812 id.= 2.820 dev=  0.008 sig.= 0.000
B     63 ASP N   . - B     63 ASP O   . mod.= 2.720 id.= 2.718 dev= -0.002 sig.= 0.000
B     63 ASP N   . - B     64 TYR N   . mod.= 3.683 id.= 3.680 dev= -0.003 sig.= 0.000
B     63 ASP N   . - B     65 ASP N   . mod.= 5.316 id.= 5.319 dev=  0.003 sig.= 0.000
B     63 ASP CA  . - B     64 TYR C   . mod.= 4.646 id.= 4.643 dev= -0.003 sig.= 0.000
B     63 ASP CA  . - B     64 TYR O   . mod.= 5.848 id.= 5.845 dev= -0.002 sig.= 0.000
B     63 ASP CA  . - B     65 ASP N   . mod.= 4.313 id.= 4.310 dev= -0.003 sig.= 0.000
B     63 ASP CA  . - B     65 ASP CA  . mod.= 5.513 id.= 5.517 dev=  0.004 sig.= 0.000
B     63 ASP CA  . - B     65 ASP C   . mod.= 5.800 id.= 5.803 dev=  0.003 sig.= 0.000
B     63 ASP CA  . - B     65 ASP O   . mod.= 5.705 id.= 5.711 dev=  0.005 sig.= 0.000
B     63 ASP C   . - B     65 ASP CA  . mod.= 4.668 id.= 4.672 dev=  0.004 sig.= 0.000
B     63 ASP C   . - B     65 ASP C   . mod.= 5.001 id.= 5.004 dev=  0.003 sig.= 0.000
B     63 ASP C   . - B     65 ASP O   . mod.= 5.201 id.= 5.206 dev=  0.006 sig.= 0.000
B     63 ASP C   . - B     66 PRO N   . mod.= 5.673 id.= 5.676 dev=  0.003 sig.= 0.000
B     63 ASP O   . - B     64 TYR CA  . mod.= 2.809 id.= 2.811 dev=  0.002 sig.= 0.000
B     64 TYR CA  . - B     65 ASP CA  . mod.= 3.767 id.= 3.762 dev= -0.006 sig.= 0.000
B     64 TYR CA  . - B     65 ASP C   . mod.= 4.571 id.= 4.568 dev= -0.004 sig.= 0.000
B     64 TYR CA  . - B     66 PRO N   . mod.= 4.986 id.= 4.983 dev= -0.003 sig.= 0.000
B     64 TYR O   . - B     65 ASP CA  . mod.= 2.774 id.= 2.771 dev= -0.003 sig.= 0.000
B     64 TYR O   . - B     65 ASP O   . mod.= 4.936 id.= 4.939 dev=  0.003 sig.= 0.000
B     65 ASP N   . - B     66 PRO C   . mod.= 5.554 id.= 5.556 dev=  0.002 sig.= 0.000
B     65 ASP CA  . - B     66 PRO CA  . mod.= 3.808 id.= 3.805 dev= -0.003 sig.= 0.000
B     65 ASP CA  . - B     67 MET CA  . mod.= 5.577 id.= 5.575 dev= -0.002 sig.= 0.000
B     65 ASP C   . - B     67 MET N   . mod.= 3.227 id.= 3.230 dev=  0.003 sig.= 0.000
B     65 ASP C   . - B     67 MET O   . mod.= 5.380 id.= 5.378 dev= -0.002 sig.= 0.000
B     65 ASP O   . - B     67 MET N   . mod.= 3.115 id.= 3.120 dev=  0.005 sig.= 0.000
B     65 ASP O   . - B     67 MET O   . mod.= 4.700 id.= 4.697 dev= -0.003 sig.= 0.000
B     66 PRO N   . - B     66 PRO O   . mod.= 3.497 id.= 3.500 dev=  0.004 sig.= 0.000
B     66 PRO N   . - B     67 MET CA  . mod.= 4.338 id.= 4.336 dev= -0.002 sig.= 0.000
B     66 PRO N   . - B     67 MET O   . mod.= 5.287 id.= 5.284 dev= -0.002 sig.= 0.000
B     66 PRO CA  . - B     67 MET CA  . mod.= 3.870 id.= 3.868 dev= -0.002 sig.= 0.000
B     66 PRO CA  . - B    101 ALA C   . mod.= 5.605 id.= 5.596 dev= -0.009 sig.= 0.000
B     66 PRO CA  . - B    101 ALA O   . mod.= 5.137 id.= 5.132 dev= -0.005 sig.= 0.000
B     66 PRO CA  . - B    102 VAL C   . mod.= 5.808 id.= 5.803 dev= -0.005 sig.= 0.000
B     66 PRO CA  . - B    103 ARG N   . mod.= 4.943 id.= 4.940 dev= -0.002 sig.= 0.000
B     66 PRO CA  . - B    103 ARG CA  . mod.= 5.180 id.= 5.178 dev= -0.002 sig.= 0.000
B     66 PRO C   . - B     67 MET O   . mod.= 3.296 id.= 3.294 dev= -0.003 sig.= 0.000
B     66 PRO C   . - B    101 ALA O   . mod.= 5.806 id.= 5.803 dev= -0.003 sig.= 0.000
B     66 PRO O   . - B     67 MET CA  . mod.= 2.866 id.= 2.861 dev= -0.005 sig.= 0.000
B     66 PRO O   . - B     67 MET O   . mod.= 3.554 id.= 3.549 dev= -0.004 sig.= 0.000
B     66 PRO O   . - B     68 ASP N   . mod.= 3.717 id.= 3.714 dev= -0.003 sig.= 0.000
B     66 PRO O   . - B    101 ALA CA  . mod.= 5.537 id.= 5.527 dev= -0.010 sig.= 0.000
B     66 PRO O   . - B    101 ALA C   . mod.= 5.394 id.= 5.390 dev= -0.004 sig.= 0.000
B     66 PRO O   . - B    102 VAL N   . mod.= 5.833 id.= 5.830 dev= -0.004 sig.= 0.000
B     66 PRO O   . - B    103 ARG N   . mod.= 5.408 id.= 5.411 dev=  0.003 sig.= 0.000
B     67 MET CA  . - B     68 ASP CA  . mod.= 3.797 id.= 3.799 dev=  0.002 sig.= 0.000
B     67 MET CA  . - B     68 ASP C   . mod.= 4.512 id.= 4.514 dev=  0.002 sig.= 0.000
B     67 MET CA  . - B     68 ASP O   . mod.= 4.736 id.= 4.739 dev=  0.003 sig.= 0.000
B     67 MET CA  . - B     69 LEU N   . mod.= 5.389 id.= 5.394 dev=  0.005 sig.= 0.000
B     67 MET O   . - B     69 LEU N   . mod.= 3.786 id.= 3.790 dev=  0.004 sig.= 0.000
B     68 ASP N   . - B     68 ASP O   . mod.= 2.877 id.= 2.879 dev=  0.003 sig.= 0.000
B     68 ASP CA  . - B     69 LEU O   . mod.= 5.735 id.= 5.732 dev= -0.002 sig.= 0.000
B     68 ASP C   . - B     70 ASN CA  . mod.= 4.865 id.= 4.868 dev=  0.004 sig.= 0.000
B     68 ASP C   . - B     71 ASN N   . mod.= 5.096 id.= 5.102 dev=  0.006 sig.= 0.000
B     68 ASP O   . - B     71 ASN N   . mod.= 5.404 id.= 5.407 dev=  0.004 sig.= 0.000
B     68 ASP O   . - B    215 THR CA  . mod.= 5.698 id.= 5.735 dev=  0.037 sig.= 0.000
B     69 LEU N   . - B     69 LEU O   . mod.= 3.551 id.= 3.549 dev= -0.002 sig.= 0.000
B     69 LEU CA  . - B     70 ASN O   . mod.= 5.408 id.= 5.411 dev=  0.003 sig.= 0.000
B     69 LEU CA  . - B     71 ASN N   . mod.= 5.011 id.= 5.015 dev=  0.004 sig.= 0.000
B     69 LEU C   . - B     70 ASN C   . mod.= 3.300 id.= 3.298 dev= -0.002 sig.= 0.000
B     69 LEU C   . - B     70 ASN O   . mod.= 3.980 id.= 3.977 dev= -0.003 sig.= 0.000
B     69 LEU C   . - B     71 ASN CA  . mod.= 5.286 id.= 5.289 dev=  0.003 sig.= 0.000
B     69 LEU O   . - B     70 ASN CA  . mod.= 2.765 id.= 2.760 dev= -0.006 sig.= 0.000
B     69 LEU O   . - B     70 ASN C   . mod.= 3.409 id.= 3.406 dev= -0.003 sig.= 0.000
B     69 LEU O   . - B     71 ASN CA  . mod.= 5.581 id.= 5.587 dev=  0.006 sig.= 0.000
B     70 ASN N   . - B     70 ASN O   . mod.= 3.486 id.= 3.482 dev= -0.004 sig.= 0.000
B     70 ASN N   . - B     71 ASN N   . mod.= 3.049 id.= 3.055 dev=  0.005 sig.= 0.000
B     70 ASN N   . - B     71 ASN CA  . mod.= 4.502 id.= 4.507 dev=  0.005 sig.= 0.000
B     70 ASN N   . - B    107 ARG O   . mod.= 5.944 id.= 5.946 dev=  0.003 sig.= 0.000
B     70 ASN CA  . - B     71 ASN C   . mod.= 4.799 id.= 4.795 dev= -0.004 sig.= 0.000
B     70 ASN CA  . - B     72 HIS CA  . mod.= 5.791 id.= 5.788 dev= -0.003 sig.= 0.000
B     70 ASN CA  . - B    107 ARG O   . mod.= 5.228 id.= 5.224 dev= -0.004 sig.= 0.000
B     70 ASN C   . - B     72 HIS N   . mod.= 3.726 id.= 3.729 dev=  0.003 sig.= 0.000
B     70 ASN C   . - B     72 HIS CA  . mod.= 5.121 id.= 5.126 dev=  0.005 sig.= 0.000
B     70 ASN O   . - B     71 ASN CA  . mod.= 3.095 id.= 3.104 dev=  0.009 sig.= 0.000
B     70 ASN O   . - B     71 ASN C   . mod.= 4.232 id.= 4.234 dev=  0.003 sig.= 0.000
B     70 ASN O   . - B     71 ASN O   . mod.= 5.318 id.= 5.323 dev=  0.005 sig.= 0.000
B     70 ASN O   . - B     72 HIS N   . mod.= 4.306 id.= 4.302 dev= -0.004 sig.= 0.000
B     70 ASN O   . - B     72 HIS CA  . mod.= 5.660 id.= 5.656 dev= -0.004 sig.= 0.000
B     71 ASN N   . - B     72 HIS N   . mod.= 2.763 id.= 2.767 dev=  0.003 sig.= 0.000
B     71 ASN N   . - B     72 HIS CA  . mod.= 4.219 id.= 4.223 dev=  0.004 sig.= 0.000
B     71 ASN N   . - B     72 HIS C   . mod.= 5.044 id.= 5.050 dev=  0.006 sig.= 0.000
B     71 ASN N   . - B     73 GLY N   . mod.= 4.933 id.= 4.937 dev=  0.005 sig.= 0.000
B     71 ASN N   . - B    215 THR N   . mod.= 5.579 id.= 5.581 dev=  0.002 sig.= 0.000
B     71 ASN CA  . - B     72 HIS CA  . mod.= 3.846 id.= 3.849 dev=  0.003 sig.= 0.000
B     71 ASN CA  . - B     72 HIS C   . mod.= 4.607 id.= 4.610 dev=  0.003 sig.= 0.000
B     71 ASN CA  . - B     74 THR CA  . mod.= 5.391 id.= 5.389 dev= -0.002 sig.= 0.000
B     71 ASN CA  . - B    214 ILE CA  . mod.= 4.919 id.= 4.916 dev= -0.003 sig.= 0.000
B     71 ASN CA  . - B    214 ILE C   . mod.= 5.308 id.= 5.303 dev= -0.005 sig.= 0.000
B     71 ASN CA  . - B    215 THR N   . mod.= 4.658 id.= 4.666 dev=  0.008 sig.= 0.000
B     71 ASN CA  . - B    215 THR CA  . mod.= 5.605 id.= 5.607 dev=  0.002 sig.= 0.000
B     71 ASN C   . - B     73 GLY N   . mod.= 3.537 id.= 3.534 dev= -0.003 sig.= 0.000
B     71 ASN C   . - B     73 GLY O   . mod.= 5.904 id.= 5.901 dev= -0.003 sig.= 0.000
B     71 ASN C   . - B     74 THR N   . mod.= 3.954 id.= 3.952 dev= -0.002 sig.= 0.000
B     71 ASN C   . - B     74 THR CA  . mod.= 4.630 id.= 4.626 dev= -0.003 sig.= 0.000
B     71 ASN C   . - B     75 HIS CA  . mod.= 5.060 id.= 5.065 dev=  0.005 sig.= 0.000
B     71 ASN C   . - B    214 ILE C   . mod.= 5.873 id.= 5.868 dev= -0.005 sig.= 0.000
B     71 ASN C   . - B    215 THR N   . mod.= 5.516 id.= 5.522 dev=  0.006 sig.= 0.000
B     71 ASN O   . - B     75 HIS CA  . mod.= 3.897 id.= 3.901 dev=  0.003 sig.= 0.000
B     71 ASN O   . - B     75 HIS C   . mod.= 5.129 id.= 5.132 dev=  0.003 sig.= 0.000
B     71 ASN O   . - B     76 VAL N   . mod.= 5.196 id.= 5.198 dev=  0.002 sig.= 0.000
B     71 ASN O   . - B    213 THR O   . mod.= 4.340 id.= 4.338 dev= -0.003 sig.= 0.000
B     71 ASN O   . - B    214 ILE CA  . mod.= 4.447 id.= 4.445 dev= -0.003 sig.= 0.000
B     71 ASN O   . - B    214 ILE C   . mod.= 5.313 id.= 5.308 dev= -0.005 sig.= 0.000
B     71 ASN O   . - B    215 THR N   . mod.= 5.227 id.= 5.232 dev=  0.005 sig.= 0.000
B     72 HIS N   . - B     73 GLY CA  . mod.= 4.359 id.= 4.361 dev=  0.002 sig.= 0.000
B     72 HIS CA  . - B     73 GLY CA  . mod.= 3.806 id.= 3.803 dev= -0.002 sig.= 0.000
B     72 HIS CA  . - B     75 HIS CA  . mod.= 5.189 id.= 5.192 dev=  0.004 sig.= 0.000
B     72 HIS CA  . - B     75 HIS C   . mod.= 5.834 id.= 5.836 dev=  0.002 sig.= 0.000
B     72 HIS CA  . - B     76 VAL N   . mod.= 5.321 id.= 5.324 dev=  0.003 sig.= 0.000
B     72 HIS C   . - B     73 GLY C   . mod.= 3.153 id.= 3.156 dev=  0.003 sig.= 0.000
B     72 HIS C   . - B     75 HIS N   . mod.= 3.855 id.= 3.853 dev= -0.002 sig.= 0.000
B     72 HIS C   . - B     76 VAL CA  . mod.= 5.098 id.= 5.100 dev=  0.002 sig.= 0.000
B     72 HIS O   . - B     73 GLY C   . mod.= 3.169 id.= 3.173 dev=  0.003 sig.= 0.000
B     72 HIS O   . - B     75 HIS N   . mod.= 3.271 id.= 3.267 dev= -0.004 sig.= 0.000
B     72 HIS O   . - B     76 VAL CA  . mod.= 3.946 id.= 3.949 dev=  0.003 sig.= 0.000
B     72 HIS O   . - B     76 VAL C   . mod.= 5.139 id.= 5.143 dev=  0.004 sig.= 0.000
B     72 HIS O   . - B     77 ALA N   . mod.= 5.115 id.= 5.117 dev=  0.002 sig.= 0.000
B     73 GLY N   . - B     76 VAL CA  . mod.= 5.620 id.= 5.622 dev=  0.002 sig.= 0.000
B     73 GLY C   . - B     76 VAL CA  . mod.= 4.660 id.= 4.663 dev=  0.003 sig.= 0.000
B     73 GLY C   . - B     78 GLY N   . mod.= 5.997 id.= 5.995 dev= -0.002 sig.= 0.000
B     73 GLY O   . - B     76 VAL CA  . mod.= 4.062 id.= 4.065 dev=  0.004 sig.= 0.000
B     74 THR N   . - B     75 HIS N   . mod.= 2.754 id.= 2.757 dev=  0.002 sig.= 0.000
B     74 THR N   . - B     77 ALA N   . mod.= 4.797 id.= 4.794 dev= -0.003 sig.= 0.000
B     74 THR N   . - B     77 ALA CA  . mod.= 5.523 id.= 5.521 dev= -0.002 sig.= 0.000
B     74 THR CA  . - B     75 HIS C   . mod.= 4.489 id.= 4.492 dev=  0.003 sig.= 0.000
B     74 THR CA  . - B     75 HIS O   . mod.= 5.358 id.= 5.360 dev=  0.003 sig.= 0.000
B     74 THR CA  . - B     76 VAL CA  . mod.= 5.550 id.= 5.552 dev=  0.002 sig.= 0.000
B     74 THR CA  . - B     77 ALA C   . mod.= 5.721 id.= 5.718 dev= -0.003 sig.= 0.000
B     74 THR CA  . - B     78 GLY N   . mod.= 5.223 id.= 5.221 dev= -0.002 sig.= 0.000
B     74 THR CA  . - B    213 THR CA  . mod.= 5.973 id.= 5.977 dev=  0.004 sig.= 0.000
B     74 THR CA  . - B    213 THR O   . mod.= 4.213 id.= 4.217 dev=  0.003 sig.= 0.000
B     74 THR CA  . - B    214 ILE N   . mod.= 5.642 id.= 5.638 dev= -0.004 sig.= 0.000
B     74 THR CA  . - B    214 ILE CA  . mod.= 5.282 id.= 5.279 dev= -0.003 sig.= 0.000
B     74 THR CA  . - B    215 THR N   . mod.= 5.939 id.= 5.931 dev= -0.008 sig.= 0.000
B     74 THR C   . - B     75 HIS C   . mod.= 3.123 id.= 3.126 dev=  0.003 sig.= 0.000
B     74 THR C   . - B     75 HIS O   . mod.= 3.891 id.= 3.894 dev=  0.002 sig.= 0.000
B     74 THR C   . - B     77 ALA C   . mod.= 4.901 id.= 4.898 dev= -0.003 sig.= 0.000
B     74 THR C   . - B     78 GLY N   . mod.= 4.162 id.= 4.159 dev= -0.003 sig.= 0.000
B     74 THR C   . - B     78 GLY CA  . mod.= 5.011 id.= 5.008 dev= -0.003 sig.= 0.000
B     74 THR C   . - B    213 THR N   . mod.= 5.158 id.= 5.162 dev=  0.004 sig.= 0.000
B     74 THR C   . - B    214 ILE N   . mod.= 5.134 id.= 5.129 dev= -0.005 sig.= 0.000
B     74 THR C   . - B    214 ILE CA  . mod.= 5.079 id.= 5.076 dev= -0.003 sig.= 0.000
B     74 THR O   . - B     75 HIS C   . mod.= 3.193 id.= 3.195 dev=  0.003 sig.= 0.000
B     74 THR O   . - B     77 ALA C   . mod.= 3.947 id.= 3.944 dev= -0.003 sig.= 0.000
B     74 THR O   . - B     77 ALA O   . mod.= 5.123 id.= 5.120 dev= -0.003 sig.= 0.000
B     74 THR O   . - B     78 GLY N   . mod.= 3.077 id.= 3.074 dev= -0.003 sig.= 0.000
B     74 THR O   . - B     78 GLY CA  . mod.= 3.826 id.= 3.823 dev= -0.003 sig.= 0.000
B     74 THR O   . - B    212 SER C   . mod.= 5.607 id.= 5.610 dev=  0.003 sig.= 0.000
B     74 THR O   . - B    213 THR N   . mod.= 4.603 id.= 4.607 dev=  0.004 sig.= 0.000
B     74 THR O   . - B    213 THR C   . mod.= 4.206 id.= 4.202 dev= -0.004 sig.= 0.000
B     74 THR O   . - B    214 ILE N   . mod.= 5.241 id.= 5.234 dev= -0.008 sig.= 0.000
B     74 THR O   . - B    214 ILE CA  . mod.= 5.518 id.= 5.514 dev= -0.004 sig.= 0.000
B     75 HIS N   . - B     76 VAL N   . mod.= 2.776 id.= 2.773 dev= -0.002 sig.= 0.000
B     75 HIS N   . - B     76 VAL CA  . mod.= 4.184 id.= 4.182 dev= -0.002 sig.= 0.000
B     75 HIS N   . - B    212 SER C   . mod.= 5.772 id.= 5.774 dev=  0.002 sig.= 0.000
B     75 HIS N   . - B    214 ILE N   . mod.= 5.187 id.= 5.184 dev= -0.002 sig.= 0.000
B     75 HIS CA  . - B     76 VAL CA  . mod.= 3.812 id.= 3.809 dev= -0.003 sig.= 0.000
B     75 HIS CA  . - B     77 ALA C   . mod.= 5.609 id.= 5.606 dev= -0.002 sig.= 0.000
B     75 HIS CA  . - B     78 GLY N   . mod.= 4.677 id.= 4.673 dev= -0.004 sig.= 0.000
B     75 HIS CA  . - B     78 GLY CA  . mod.= 5.241 id.= 5.237 dev= -0.004 sig.= 0.000
B     75 HIS CA  . - B     78 GLY C   . mod.= 5.917 id.= 5.915 dev= -0.002 sig.= 0.000
B     75 HIS CA  . - B    213 THR N   . mod.= 4.544 id.= 4.541 dev= -0.003 sig.= 0.000
B     75 HIS CA  . - B    213 THR CA  . mod.= 4.961 id.= 4.959 dev= -0.002 sig.= 0.000
B     75 HIS CA  . - B    213 THR C   . mod.= 4.309 id.= 4.306 dev= -0.004 sig.= 0.000
B     75 HIS CA  . - B    213 THR O   . mod.= 3.154 id.= 3.150 dev= -0.005 sig.= 0.000
B     75 HIS CA  . - B    214 ILE N   . mod.= 5.323 id.= 5.320 dev= -0.003 sig.= 0.000
B     75 HIS C   . - B     76 VAL C   . mod.= 3.108 id.= 3.110 dev=  0.002 sig.= 0.000
B     75 HIS C   . - B     79 ILE CA  . mod.= 5.320 id.= 5.322 dev=  0.002 sig.= 0.000
B     75 HIS C   . - B    212 SER C   . mod.= 5.575 id.= 5.578 dev=  0.003 sig.= 0.000
B     75 HIS C   . - B    213 THR O   . mod.= 4.443 id.= 4.441 dev= -0.002 sig.= 0.000
B     75 HIS O   . - B     76 VAL CA  . mod.= 2.877 id.= 2.874 dev= -0.003 sig.= 0.000
B     75 HIS O   . - B     76 VAL C   . mod.= 3.124 id.= 3.127 dev=  0.004 sig.= 0.000
B     75 HIS O   . - B     79 ILE C   . mod.= 5.416 id.= 5.419 dev=  0.002 sig.= 0.000
B     75 HIS O   . - B    212 SER N   . mod.= 5.703 id.= 5.714 dev=  0.011 sig.= 0.000
B     75 HIS O   . - B    213 THR N   . mod.= 4.832 id.= 4.828 dev= -0.004 sig.= 0.000
B     75 HIS O   . - B    213 THR CA  . mod.= 5.724 id.= 5.721 dev= -0.003 sig.= 0.000
B     75 HIS O   . - B    213 THR C   . mod.= 5.687 id.= 5.682 dev= -0.004 sig.= 0.000
B     75 HIS O   . - B    213 THR O   . mod.= 4.764 id.= 4.761 dev= -0.004 sig.= 0.000
B     76 VAL N   . - B     79 ILE CA  . mod.= 5.830 id.= 5.833 dev=  0.003 sig.= 0.000
B     76 VAL N   . - B    213 THR O   . mod.= 5.448 id.= 5.444 dev= -0.004 sig.= 0.000
B     76 VAL N   . - B    226 SER O   . mod.= 5.714 id.= 5.717 dev=  0.003 sig.= 0.000
B     76 VAL CA  . - B     77 ALA CA  . mod.= 3.849 id.= 3.853 dev=  0.004 sig.= 0.000
B     76 VAL CA  . - B     77 ALA C   . mod.= 4.542 id.= 4.544 dev=  0.003 sig.= 0.000
B     76 VAL CA  . - B     80 ALA N   . mod.= 5.491 id.= 5.494 dev=  0.003 sig.= 0.000
B     76 VAL C   . - B     77 ALA O   . mod.= 3.944 id.= 3.940 dev= -0.004 sig.= 0.000
B     76 VAL C   . - B     78 GLY C   . mod.= 4.684 id.= 4.687 dev=  0.002 sig.= 0.000
B     76 VAL C   . - B     79 ILE CA  . mod.= 4.630 id.= 4.632 dev=  0.002 sig.= 0.000
B     76 VAL C   . - B    226 SER O   . mod.= 5.973 id.= 5.976 dev=  0.003 sig.= 0.000
B     76 VAL C   . - B    230 PRO CA  . mod.= 5.691 id.= 5.687 dev= -0.005 sig.= 0.000
B     76 VAL O   . - B     77 ALA O   . mod.= 3.586 id.= 3.582 dev= -0.004 sig.= 0.000
B     76 VAL O   . - B     78 GLY O   . mod.= 5.119 id.= 5.117 dev= -0.002 sig.= 0.000
B     76 VAL O   . - B     79 ILE N   . mod.= 3.325 id.= 3.323 dev= -0.003 sig.= 0.000
B     76 VAL O   . - B     80 ALA C   . mod.= 5.257 id.= 5.260 dev=  0.003 sig.= 0.000
B     76 VAL O   . - B     81 ALA N   . mod.= 5.227 id.= 5.229 dev=  0.002 sig.= 0.000
B     76 VAL O   . - B    230 PRO N   . mod.= 5.579 id.= 5.575 dev= -0.004 sig.= 0.000
B     76 VAL O   . - B    230 PRO CA  . mod.= 4.754 id.= 4.751 dev= -0.004 sig.= 0.000
B     76 VAL O   . - B    230 PRO C   . mod.= 5.409 id.= 5.406 dev= -0.003 sig.= 0.000
B     77 ALA N   . - B     77 ALA O   . mod.= 3.504 id.= 3.501 dev= -0.003 sig.= 0.000
B     77 ALA CA  . - B     80 ALA CA  . mod.= 5.253 id.= 5.250 dev= -0.003 sig.= 0.000
B     77 ALA CA  . - B     80 ALA C   . mod.= 5.775 id.= 5.772 dev= -0.003 sig.= 0.000
B     77 ALA CA  . - B     81 ALA C   . mod.= 5.964 id.= 5.961 dev= -0.003 sig.= 0.000
B     77 ALA C   . - B     78 GLY C   . mod.= 3.108 id.= 3.112 dev=  0.004 sig.= 0.000
B     77 ALA C   . - B     79 ILE N   . mod.= 3.340 id.= 3.343 dev=  0.002 sig.= 0.000
B     77 ALA C   . - B     79 ILE O   . mod.= 5.704 id.= 5.707 dev=  0.003 sig.= 0.000
B     77 ALA C   . - B     81 ALA CA  . mod.= 4.944 id.= 4.941 dev= -0.002 sig.= 0.000
B     77 ALA C   . - B     81 ALA C   . mod.= 4.747 id.= 4.744 dev= -0.002 sig.= 0.000
B     77 ALA O   . - B     78 GLY CA  . mod.= 2.871 id.= 2.875 dev=  0.004 sig.= 0.000
B     77 ALA O   . - B     78 GLY C   . mod.= 3.108 id.= 3.114 dev=  0.005 sig.= 0.000
B     77 ALA O   . - B     78 GLY O   . mod.= 3.489 id.= 3.492 dev=  0.003 sig.= 0.000
B     77 ALA O   . - B     80 ALA N   . mod.= 3.389 id.= 3.385 dev= -0.003 sig.= 0.000
B     77 ALA O   . - B     80 ALA CA  . mod.= 3.829 id.= 3.823 dev= -0.006 sig.= 0.000
B     77 ALA O   . - B     80 ALA C   . mod.= 3.855 id.= 3.851 dev= -0.004 sig.= 0.000
B     77 ALA O   . - B     80 ALA O   . mod.= 5.045 id.= 5.041 dev= -0.004 sig.= 0.000
B     77 ALA O   . - B     81 ALA C   . mod.= 3.680 id.= 3.683 dev=  0.003 sig.= 0.000
B     77 ALA O   . - B     81 ALA O   . mod.= 4.314 id.= 4.319 dev=  0.005 sig.= 0.000
B     77 ALA O   . - B     82 ALA N   . mod.= 3.802 id.= 3.808 dev=  0.006 sig.= 0.000
B     77 ALA O   . - B     82 ALA CA  . mod.= 4.691 id.= 4.699 dev=  0.007 sig.= 0.000
B     78 GLY N   . - B     80 ALA CA  . mod.= 5.386 id.= 5.384 dev= -0.002 sig.= 0.000
B     78 GLY N   . - B     81 ALA CA  . mod.= 5.651 id.= 5.648 dev= -0.003 sig.= 0.000
B     78 GLY N   . - B     81 ALA C   . mod.= 5.252 id.= 5.250 dev= -0.003 sig.= 0.000
B     78 GLY N   . - B    213 THR O   . mod.= 5.785 id.= 5.782 dev= -0.003 sig.= 0.000
B     78 GLY CA  . - B     79 ILE O   . mod.= 5.345 id.= 5.348 dev=  0.002 sig.= 0.000
B     78 GLY CA  . - B     80 ALA CA  . mod.= 5.558 id.= 5.556 dev= -0.002 sig.= 0.000
B     78 GLY CA  . - B     81 ALA N   . mod.= 4.757 id.= 4.755 dev= -0.002 sig.= 0.000
B     78 GLY CA  . - B     81 ALA CA  . mod.= 5.390 id.= 5.387 dev= -0.003 sig.= 0.000
B     78 GLY CA  . - B     81 ALA C   . mod.= 4.817 id.= 4.814 dev= -0.003 sig.= 0.000
B     78 GLY CA  . - B     81 ALA O   . mod.= 5.564 id.= 5.560 dev= -0.003 sig.= 0.000
B     78 GLY CA  . - B     82 ALA N   . mod.= 4.069 id.= 4.067 dev= -0.002 sig.= 0.000
B     78 GLY CA  . - B     82 ALA CA  . mod.= 4.276 id.= 4.274 dev= -0.003 sig.= 0.000
B     78 GLY CA  . - B    212 SER CA  . mod.= 5.578 id.= 5.580 dev=  0.002 sig.= 0.000
B     78 GLY CA  . - B    213 THR CA  . mod.= 5.495 id.= 5.489 dev= -0.006 sig.= 0.000
B     78 GLY CA  . - B    213 THR O   . mod.= 5.821 id.= 5.817 dev= -0.004 sig.= 0.000
B     78 GLY C   . - B    213 THR N   . mod.= 5.536 id.= 5.534 dev= -0.002 sig.= 0.000
B     78 GLY O   . - B     80 ALA N   . mod.= 3.515 id.= 3.512 dev= -0.002 sig.= 0.000
B     78 GLY O   . - B     80 ALA CA  . mod.= 4.470 id.= 4.467 dev= -0.003 sig.= 0.000
B     78 GLY O   . - B     80 ALA O   . mod.= 5.152 id.= 5.150 dev= -0.002 sig.= 0.000
B     78 GLY O   . - B     81 ALA N   . mod.= 3.603 id.= 3.600 dev= -0.003 sig.= 0.000
B     78 GLY O   . - B     81 ALA C   . mod.= 3.956 id.= 3.954 dev= -0.002 sig.= 0.000
B     78 GLY O   . - B     83 GLU N   . mod.= 5.992 id.= 5.995 dev=  0.003 sig.= 0.000
B     78 GLY O   . - B     90 ILE O   . mod.= 5.991 id.= 5.993 dev=  0.002 sig.= 0.000
B     78 GLY O   . - B     91 ALA C   . mod.= 4.780 id.= 4.782 dev=  0.002 sig.= 0.000
B     78 GLY O   . - B     92 GLY N   . mod.= 4.437 id.= 4.439 dev=  0.002 sig.= 0.000
B     79 ILE N   . - B    212 SER CA  . mod.= 5.539 id.= 5.542 dev=  0.002 sig.= 0.000
B     79 ILE CA  . - B     80 ALA C   . mod.= 4.532 id.= 4.535 dev=  0.003 sig.= 0.000
B     79 ILE CA  . - B     80 ALA O   . mod.= 5.395 id.= 5.397 dev=  0.002 sig.= 0.000
B     79 ILE CA  . - B    211 VAL O   . mod.= 5.946 id.= 5.968 dev=  0.022 sig.= 0.000
B     79 ILE CA  . - B    231 HIS N   . mod.= 5.940 id.= 5.946 dev=  0.005 sig.= 0.000
B     79 ILE C   . - B     92 GLY N   . mod.= 5.833 id.= 5.835 dev=  0.002 sig.= 0.000
B     79 ILE C   . - B    230 PRO CA  . mod.= 5.319 id.= 5.317 dev= -0.002 sig.= 0.000
B     79 ILE C   . - B    230 PRO C   . mod.= 4.778 id.= 4.774 dev= -0.004 sig.= 0.000
B     79 ILE C   . - B    231 HIS CA  . mod.= 5.562 id.= 5.560 dev= -0.002 sig.= 0.000
B     79 ILE O   . - B     80 ALA C   . mod.= 3.153 id.= 3.158 dev=  0.005 sig.= 0.000
B     79 ILE O   . - B     80 ALA O   . mod.= 3.556 id.= 3.560 dev=  0.004 sig.= 0.000
B     79 ILE O   . - B     81 ALA N   . mod.= 3.692 id.= 3.695 dev=  0.003 sig.= 0.000
B     79 ILE O   . - B     81 ALA CA  . mod.= 4.777 id.= 4.781 dev=  0.005 sig.= 0.000
B     79 ILE O   . - B     81 ALA C   . mod.= 5.537 id.= 5.539 dev=  0.002 sig.= 0.000
B     79 ILE O   . - B     82 ALA N   . mod.= 5.169 id.= 5.171 dev=  0.002 sig.= 0.000
B     79 ILE O   . - B     92 GLY O   . mod.= 4.956 id.= 4.959 dev=  0.002 sig.= 0.000
B     79 ILE O   . - B     94 ALA N   . mod.= 5.081 id.= 5.083 dev=  0.002 sig.= 0.000
B     79 ILE O   . - B    230 PRO C   . mod.= 5.018 id.= 5.016 dev= -0.002 sig.= 0.000
B     80 ALA N   . - B    230 PRO C   . mod.= 4.465 id.= 4.461 dev= -0.004 sig.= 0.000
B     80 ALA N   . - B    231 HIS N   . mod.= 5.256 id.= 5.259 dev=  0.003 sig.= 0.000
B     80 ALA N   . - B    231 HIS CA  . mod.= 5.788 id.= 5.786 dev= -0.003 sig.= 0.000
B     80 ALA CA  . - B    230 PRO C   . mod.= 4.229 id.= 4.225 dev= -0.004 sig.= 0.000
B     80 ALA CA  . - B    230 PRO O   . mod.= 3.430 id.= 3.428 dev= -0.002 sig.= 0.000
B     80 ALA CA  . - B    233 ALA C   . mod.= 5.521 id.= 5.517 dev= -0.004 sig.= 0.000
B     80 ALA CA  . - B    234 GLY N   . mod.= 4.619 id.= 4.617 dev= -0.002 sig.= 0.000
B     80 ALA C   . - B     81 ALA C   . mod.= 3.745 id.= 3.743 dev= -0.003 sig.= 0.000
B     80 ALA C   . - B    230 PRO C   . mod.= 5.576 id.= 5.574 dev= -0.002 sig.= 0.000
B     80 ALA C   . - B    233 ALA C   . mod.= 5.989 id.= 5.984 dev= -0.005 sig.= 0.000
B     80 ALA C   . - B    234 GLY N   . mod.= 5.090 id.= 5.088 dev= -0.002 sig.= 0.000
B     80 ALA C   . - B    234 GLY CA  . mod.= 4.500 id.= 4.498 dev= -0.002 sig.= 0.000
B     80 ALA O   . - B     81 ALA C   . mod.= 4.235 id.= 4.232 dev= -0.003 sig.= 0.000
B     80 ALA O   . - B     82 ALA N   . mod.= 4.758 id.= 4.756 dev= -0.002 sig.= 0.000
B     80 ALA O   . - B     93 MET CA  . mod.= 3.615 id.= 3.617 dev=  0.002 sig.= 0.000
B     80 ALA O   . - B    233 ALA C   . mod.= 5.585 id.= 5.583 dev= -0.003 sig.= 0.000
B     80 ALA O   . - B    233 ALA O   . mod.= 5.935 id.= 5.933 dev= -0.002 sig.= 0.000
B     80 ALA O   . - B    234 GLY O   . mod.= 5.108 id.= 5.105 dev= -0.002 sig.= 0.000
B     81 ALA N   . - B    230 PRO O   . mod.= 5.801 id.= 5.798 dev= -0.003 sig.= 0.000
B     81 ALA N   . - B    234 GLY CA  . mod.= 5.777 id.= 5.774 dev= -0.003 sig.= 0.000
B     81 ALA CA  . - B     93 MET CA  . mod.= 5.510 id.= 5.512 dev=  0.002 sig.= 0.000
B     81 ALA CA  . - B     97 THR C   . mod.= 5.653 id.= 5.648 dev= -0.005 sig.= 0.000
B     81 ALA CA  . - B     97 THR O   . mod.= 4.657 id.= 4.655 dev= -0.002 sig.= 0.000
B     81 ALA C   . - B     95 PRO O   . mod.= 5.764 id.= 5.766 dev=  0.003 sig.= 0.000
B     81 ALA C   . - B     97 THR O   . mod.= 4.856 id.= 4.851 dev= -0.004 sig.= 0.000
B     81 ALA O   . - B     82 ALA O   . mod.= 3.243 id.= 3.241 dev= -0.002 sig.= 0.000
B     81 ALA O   . - B     83 GLU N   . mod.= 3.902 id.= 3.899 dev= -0.003 sig.= 0.000
B     81 ALA O   . - B     83 GLU CA  . mod.= 4.941 id.= 4.937 dev= -0.004 sig.= 0.000
B     81 ALA O   . - B     83 GLU C   . mod.= 5.843 id.= 5.841 dev= -0.002 sig.= 0.000
B     81 ALA O   . - B     95 PRO CA  . mod.= 6.001 id.= 5.999 dev= -0.002 sig.= 0.000
B     81 ALA O   . - B     97 THR C   . mod.= 5.304 id.= 5.297 dev= -0.007 sig.= 0.000
B     81 ALA O   . - B     97 THR O   . mod.= 4.095 id.= 4.089 dev= -0.006 sig.= 0.000
B     81 ALA O   . - B     98 ARG C   . mod.= 5.992 id.= 5.982 dev= -0.010 sig.= 0.000
B     81 ALA O   . - B     99 ILE N   . mod.= 5.991 id.= 5.983 dev= -0.008 sig.= 0.000
B     82 ALA CA  . - B     83 GLU CA  . mod.= 3.858 id.= 3.861 dev=  0.002 sig.= 0.000
B     82 ALA CA  . - B     92 GLY N   . mod.= 4.439 id.= 4.442 dev=  0.002 sig.= 0.000
B     82 ALA CA  . - B     92 GLY C   . mod.= 5.606 id.= 5.608 dev=  0.002 sig.= 0.000
B     82 ALA C   . - B     84 THR N   . mod.= 3.620 id.= 3.618 dev= -0.002 sig.= 0.000
B     82 ALA O   . - B     84 THR N   . mod.= 3.234 id.= 3.232 dev= -0.002 sig.= 0.000
B     82 ALA O   . - B     94 ALA C   . mod.= 5.310 id.= 5.307 dev= -0.003 sig.= 0.000
B     82 ALA O   . - B     94 ALA O   . mod.= 4.784 id.= 4.782 dev= -0.002 sig.= 0.000
B     83 GLU N   . - B     83 GLU O   . mod.= 2.793 id.= 2.795 dev=  0.002 sig.= 0.000
B     83 GLU N   . - B     92 GLY N   . mod.= 5.330 id.= 5.332 dev=  0.002 sig.= 0.000
B     83 GLU CA  . - B     90 ILE O   . mod.= 5.293 id.= 5.298 dev=  0.005 sig.= 0.000
B     83 GLU CA  . - B     92 GLY N   . mod.= 5.873 id.= 5.877 dev=  0.003 sig.= 0.000
B     83 GLU CA  . - B     95 PRO O   . mod.= 5.118 id.= 5.114 dev= -0.004 sig.= 0.000
B     83 GLU C   . - B     86 ASN N   . mod.= 4.982 id.= 4.980 dev= -0.002 sig.= 0.000
B     83 GLU C   . - B     86 ASN CA  . mod.= 5.512 id.= 5.515 dev=  0.003 sig.= 0.000
B     83 GLU C   . - B     88 THR O   . mod.= 5.321 id.= 5.316 dev= -0.004 sig.= 0.000
B     83 GLU C   . - B     90 ILE C   . mod.= 5.373 id.= 5.375 dev=  0.002 sig.= 0.000
B     83 GLU C   . - B     91 ALA N   . mod.= 5.889 id.= 5.892 dev=  0.003 sig.= 0.000
B     83 GLU O   . - B     84 THR CA  . mod.= 2.849 id.= 2.847 dev= -0.003 sig.= 0.000
B     83 GLU O   . - B     86 ASN CA  . mod.= 5.452 id.= 5.456 dev=  0.004 sig.= 0.000
B     83 GLU O   . - B     88 THR C   . mod.= 5.402 id.= 5.398 dev= -0.004 sig.= 0.000
B     83 GLU O   . - B     88 THR O   . mod.= 4.205 id.= 4.200 dev= -0.006 sig.= 0.000
B     83 GLU O   . - B     90 ILE N   . mod.= 5.260 id.= 5.258 dev= -0.002 sig.= 0.000
B     83 GLU O   . - B     91 ALA N   . mod.= 4.992 id.= 4.994 dev=  0.002 sig.= 0.000
B     84 THR N   . - B     85 ASN O   . mod.= 5.976 id.= 5.978 dev=  0.002 sig.= 0.000
B     84 THR N   . - B     86 ASN CA  . mod.= 5.497 id.= 5.502 dev=  0.005 sig.= 0.000
B     84 THR N   . - B     95 PRO CA  . mod.= 5.195 id.= 5.191 dev= -0.004 sig.= 0.000
B     84 THR N   . - B     95 PRO C   . mod.= 5.343 id.= 5.336 dev= -0.007 sig.= 0.000
B     84 THR N   . - B     95 PRO O   . mod.= 4.582 id.= 4.578 dev= -0.004 sig.= 0.000
B     84 THR CA  . - B     85 ASN CA  . mod.= 3.823 id.= 3.818 dev= -0.005 sig.= 0.000
B     84 THR CA  . - B     85 ASN C   . mod.= 4.450 id.= 4.448 dev= -0.003 sig.= 0.000
B     84 THR CA  . - B     86 ASN N   . mod.= 4.304 id.= 4.299 dev= -0.005 sig.= 0.000
B     84 THR CA  . - B     86 ASN CA  . mod.= 5.387 id.= 5.384 dev= -0.003 sig.= 0.000
B     84 THR CA  . - B     90 ILE O   . mod.= 4.559 id.= 4.555 dev= -0.004 sig.= 0.000
B     84 THR CA  . - B     91 ALA CA  . mod.= 4.515 id.= 4.513 dev= -0.002 sig.= 0.000
B     84 THR CA  . - B     92 GLY CA  . mod.= 5.839 id.= 5.842 dev=  0.002 sig.= 0.000
B     84 THR CA  . - B     92 GLY O   . mod.= 5.934 id.= 5.936 dev=  0.002 sig.= 0.000
B     84 THR CA  . - B     95 PRO CA  . mod.= 5.230 id.= 5.234 dev=  0.004 sig.= 0.000
B     84 THR CA  . - B     95 PRO O   . mod.= 5.181 id.= 5.183 dev=  0.002 sig.= 0.000
B     84 THR C   . - B     95 PRO O   . mod.= 5.786 id.= 5.782 dev= -0.004 sig.= 0.000
B     84 THR O   . - B     85 ASN CA  . mod.= 2.901 id.= 2.903 dev=  0.002 sig.= 0.000
B     84 THR O   . - B     95 PRO O   . mod.= 5.397 id.= 5.392 dev= -0.005 sig.= 0.000
B     85 ASN CA  . - B     86 ASN C   . mod.= 4.748 id.= 4.751 dev=  0.003 sig.= 0.000
B     85 ASN CA  . - B     86 ASN O   . mod.= 5.951 id.= 5.954 dev=  0.003 sig.= 0.000
B     85 ASN CA  . - B     87 ALA N   . mod.= 4.503 id.= 4.505 dev=  0.002 sig.= 0.000
B     85 ASN O   . - B     86 ASN CA  . mod.= 2.729 id.= 2.724 dev= -0.005 sig.= 0.000
B     86 ASN N   . - B     88 THR CA  . mod.= 5.613 id.= 5.607 dev= -0.006 sig.= 0.000
B     86 ASN CA  . - B     87 ALA CA  . mod.= 3.867 id.= 3.864 dev= -0.003 sig.= 0.000
B     86 ASN CA  . - B     88 THR N   . mod.= 4.261 id.= 4.265 dev=  0.003 sig.= 0.000
B     86 ASN CA  . - B     88 THR C   . mod.= 5.790 id.= 5.795 dev=  0.005 sig.= 0.000
B     86 ASN CA  . - B     88 THR O   . mod.= 5.291 id.= 5.296 dev=  0.005 sig.= 0.000
B     86 ASN C   . - B     87 ALA C   . mod.= 3.159 id.= 3.161 dev=  0.002 sig.= 0.000
B     86 ASN C   . - B     88 THR N   . mod.= 3.149 id.= 3.152 dev=  0.003 sig.= 0.000
B     86 ASN C   . - B     88 THR C   . mod.= 5.099 id.= 5.102 dev=  0.003 sig.= 0.000
B     86 ASN C   . - B     88 THR O   . mod.= 4.912 id.= 4.914 dev=  0.003 sig.= 0.000
B     86 ASN O   . - B     87 ALA CA  . mod.= 2.956 id.= 2.959 dev=  0.003 sig.= 0.000
B     86 ASN O   . - B     87 ALA C   . mod.= 3.121 id.= 3.125 dev=  0.004 sig.= 0.000
B     86 ASN O   . - B     88 THR CA  . mod.= 3.961 id.= 3.957 dev= -0.003 sig.= 0.000
B     87 ALA CA  . - B     88 THR CA  . mod.= 3.770 id.= 3.773 dev=  0.003 sig.= 0.000
B     87 ALA C   . - B     88 THR O   . mod.= 4.151 id.= 4.153 dev=  0.002 sig.= 0.000
B     87 ALA O   . - B     88 THR CA  . mod.= 2.827 id.= 2.833 dev=  0.006 sig.= 0.000
B     87 ALA O   . - B     88 THR C   . mod.= 4.182 id.= 4.178 dev= -0.003 sig.= 0.000
B     88 THR N   . - B     89 GLY C   . mod.= 5.243 id.= 5.246 dev=  0.002 sig.= 0.000
B     88 THR CA  . - B     89 GLY CA  . mod.= 3.794 id.= 3.791 dev= -0.003 sig.= 0.000
B     88 THR CA  . - B     90 ILE N   . mod.= 5.270 id.= 5.266 dev= -0.004 sig.= 0.000
B     88 THR O   . - B     89 GLY C   . mod.= 3.153 id.= 3.156 dev=  0.003 sig.= 0.000
B     93 MET CA  . - B    231 HIS O   . mod.= 5.852 id.= 5.855 dev=  0.003 sig.= 0.000
B     93 MET CA  . - B    234 GLY N   . mod.= 5.917 id.= 5.921 dev=  0.004 sig.= 0.000
B     93 MET CA  . - B    234 GLY CA  . mod.= 4.755 id.= 4.757 dev=  0.003 sig.= 0.000
B     93 MET CA  . - B    234 GLY C   . mod.= 5.116 id.= 5.119 dev=  0.002 sig.= 0.000
B     93 MET CA  . - B    234 GLY O   . mod.= 5.400 id.= 5.403 dev=  0.003 sig.= 0.000
B     93 MET CA  . - B    235 LEU N   . mod.= 5.708 id.= 5.711 dev=  0.004 sig.= 0.000
B     93 MET C   . - B     94 ALA C   . mod.= 3.415 id.= 3.418 dev=  0.002 sig.= 0.000
B     93 MET O   . - B    235 LEU CA  . mod.= 5.704 id.= 5.710 dev=  0.006 sig.= 0.000
B     94 ALA N   . - B     95 PRO CA  . mod.= 4.359 id.= 4.357 dev= -0.002 sig.= 0.000
B     94 ALA N   . - B     95 PRO C   . mod.= 5.392 id.= 5.395 dev=  0.003 sig.= 0.000
B     94 ALA CA  . - B     95 PRO CA  . mod.= 3.825 id.= 3.823 dev= -0.002 sig.= 0.000
B     94 ALA CA  . - B     95 PRO C   . mod.= 4.612 id.= 4.616 dev=  0.003 sig.= 0.000
B     94 ALA CA  . - B     95 PRO O   . mod.= 5.543 id.= 5.541 dev= -0.002 sig.= 0.000
B     94 ALA CA  . - B     97 THR N   . mod.= 4.941 id.= 4.944 dev=  0.003 sig.= 0.000
B     94 ALA CA  . - B    238 LEU N   . mod.= 5.505 id.= 5.501 dev= -0.004 sig.= 0.000
B     94 ALA CA  . - B    238 LEU CA  . mod.= 5.816 id.= 5.811 dev= -0.006 sig.= 0.000
B     94 ALA C   . - B     95 PRO O   . mod.= 4.044 id.= 4.040 dev= -0.004 sig.= 0.000
B     94 ALA C   . - B     96 ASN O   . mod.= 5.962 id.= 5.964 dev=  0.002 sig.= 0.000
B     94 ALA O   . - B     95 PRO CA  . mod.= 2.880 id.= 2.877 dev= -0.003 sig.= 0.000
B     94 ALA O   . - B     95 PRO C   . mod.= 3.104 id.= 3.108 dev=  0.004 sig.= 0.000
B     94 ALA O   . - B     97 THR CA  . mod.= 4.081 id.= 4.079 dev= -0.002 sig.= 0.000
B     95 PRO CA  . - B     97 THR N   . mod.= 4.606 id.= 4.604 dev= -0.002 sig.= 0.000
B     95 PRO CA  . - B     97 THR CA  . mod.= 5.874 id.= 5.871 dev= -0.003 sig.= 0.000
B     95 PRO CA  . - B     97 THR O   . mod.= 5.952 id.= 5.950 dev= -0.002 sig.= 0.000
B     95 PRO O   . - B     96 ASN CA  . mod.= 2.689 id.= 2.686 dev= -0.004 sig.= 0.000
B     95 PRO O   . - B     96 ASN C   . mod.= 3.458 id.= 3.453 dev= -0.004 sig.= 0.000
B     95 PRO O   . - B     97 THR N   . mod.= 3.943 id.= 3.938 dev= -0.004 sig.= 0.000
B     95 PRO O   . - B     97 THR CA  . mod.= 5.213 id.= 5.210 dev= -0.003 sig.= 0.000
B     95 PRO O   . - B     97 THR C   . mod.= 5.478 id.= 5.476 dev= -0.002 sig.= 0.000
B     96 ASN C   . - B     97 THR O   . mod.= 3.470 id.= 3.467 dev= -0.003 sig.= 0.000
B     96 ASN O   . - B     97 THR CA  . mod.= 2.825 id.= 2.828 dev=  0.003 sig.= 0.000
B     96 ASN O   . - B     97 THR O   . mod.= 3.598 id.= 3.596 dev= -0.002 sig.= 0.000
B     97 THR N   . - B     98 ARG C   . mod.= 5.754 id.= 5.751 dev= -0.003 sig.= 0.000
B     97 THR N   . - B     98 ARG O   . mod.= 5.723 id.= 5.719 dev= -0.004 sig.= 0.000
B     97 THR CA  . - B     98 ARG C   . mod.= 4.558 id.= 4.555 dev= -0.003 sig.= 0.000
B     97 THR CA  . - B     98 ARG O   . mod.= 4.407 id.= 4.402 dev= -0.005 sig.= 0.000
B     97 THR C   . - B     98 ARG C   . mod.= 3.213 id.= 3.211 dev= -0.002 sig.= 0.000
B     97 THR C   . - B     98 ARG O   . mod.= 3.335 id.= 3.333 dev= -0.003 sig.= 0.000
B     97 THR O   . - B     98 ARG CA  . mod.= 2.766 id.= 2.764 dev= -0.002 sig.= 0.000
B     97 THR O   . - B     98 ARG C   . mod.= 3.384 id.= 3.381 dev= -0.002 sig.= 0.000
B     97 THR O   . - B     98 ARG O   . mod.= 3.665 id.= 3.662 dev= -0.003 sig.= 0.000
B     98 ARG CA  . - B     99 ILE O   . mod.= 4.846 id.= 4.844 dev= -0.002 sig.= 0.000
B     98 ARG CA  . - B    100 LEU N   . mod.= 5.504 id.= 5.500 dev= -0.004 sig.= 0.000
B     98 ARG C   . - B    100 LEU N   . mod.= 4.194 id.= 4.189 dev= -0.005 sig.= 0.000
B     98 ARG C   . - B    100 LEU CA  . mod.= 5.483 id.= 5.479 dev= -0.004 sig.= 0.000
B     98 ARG O   . - B    100 LEU N   . mod.= 4.242 id.= 4.238 dev= -0.004 sig.= 0.000
B     98 ARG O   . - B    100 LEU CA  . mod.= 5.591 id.= 5.586 dev= -0.005 sig.= 0.000
B     99 ILE N   . - B     99 ILE O   . mod.= 2.791 id.= 2.789 dev= -0.002 sig.= 0.000
B     99 ILE N   . - B    100 LEU N   . mod.= 3.444 id.= 3.437 dev= -0.007 sig.= 0.000
B     99 ILE N   . - B    100 LEU C   . mod.= 5.609 id.= 5.606 dev= -0.003 sig.= 0.000
B     99 ILE CA  . - B    100 LEU CA  . mod.= 3.770 id.= 3.774 dev=  0.004 sig.= 0.000
B     99 ILE CA  . - B    100 LEU C   . mod.= 4.441 id.= 4.438 dev= -0.003 sig.= 0.000
B     99 ILE C   . - B    101 ALA CA  . mod.= 4.968 id.= 4.964 dev= -0.004 sig.= 0.000
B     99 ILE O   . - B    100 LEU CA  . mod.= 2.737 id.= 2.745 dev=  0.008 sig.= 0.000
B     99 ILE O   . - B    100 LEU C   . mod.= 3.568 id.= 3.566 dev= -0.002 sig.= 0.000
B     99 ILE O   . - B    101 ALA CA  . mod.= 4.953 id.= 4.949 dev= -0.004 sig.= 0.000
B    100 LEU N   . - B    100 LEU O   . mod.= 2.937 id.= 2.934 dev= -0.004 sig.= 0.000
B    100 LEU N   . - B    101 ALA N   . mod.= 3.307 id.= 3.304 dev= -0.004 sig.= 0.000
B    100 LEU N   . - B    101 ALA CA  . mod.= 4.554 id.= 4.543 dev= -0.011 sig.= 0.000
B    100 LEU N   . - B    101 ALA C   . mod.= 5.558 id.= 5.551 dev= -0.007 sig.= 0.000
B    100 LEU CA  . - B    101 ALA CA  . mod.= 3.831 id.= 3.837 dev=  0.007 sig.= 0.000
B    100 LEU CA  . - B    101 ALA C   . mod.= 4.569 id.= 4.573 dev=  0.004 sig.= 0.000
B    100 LEU CA  . - B    102 VAL N   . mod.= 5.239 id.= 5.245 dev=  0.006 sig.= 0.000
B    100 LEU C   . - B    101 ALA C   . mod.= 3.190 id.= 3.186 dev= -0.004 sig.= 0.000
B    100 LEU C   . - B    101 ALA O   . mod.= 3.774 id.= 3.770 dev= -0.004 sig.= 0.000
B    100 LEU C   . - B    102 VAL CA  . mod.= 4.977 id.= 4.980 dev=  0.003 sig.= 0.000
B    100 LEU O   . - B    101 ALA CA  . mod.= 2.726 id.= 2.720 dev= -0.006 sig.= 0.000
B    100 LEU O   . - B    101 ALA C   . mod.= 3.260 id.= 3.256 dev= -0.004 sig.= 0.000
B    100 LEU O   . - B    101 ALA O   . mod.= 4.088 id.= 4.084 dev= -0.005 sig.= 0.000
B    101 ALA N   . - B    101 ALA O   . mod.= 2.970 id.= 2.968 dev= -0.002 sig.= 0.000
B    101 ALA N   . - B    102 VAL CA  . mod.= 4.717 id.= 4.719 dev=  0.002 sig.= 0.000
B    101 ALA CA  . - B    102 VAL CA  . mod.= 3.829 id.= 3.827 dev= -0.002 sig.= 0.000
B    101 ALA CA  . - B    103 ARG N   . mod.= 5.422 id.= 5.418 dev= -0.003 sig.= 0.000
B    101 ALA C   . - B    102 VAL O   . mod.= 4.110 id.= 4.113 dev=  0.002 sig.= 0.000
B    101 ALA O   . - B    103 ARG CA  . mod.= 5.583 id.= 5.586 dev=  0.004 sig.= 0.000
B    102 VAL N   . - B    102 VAL O   . mod.= 2.884 id.= 2.887 dev=  0.003 sig.= 0.000
B    102 VAL N   . - B    103 ARG C   . mod.= 5.629 id.= 5.633 dev=  0.003 sig.= 0.000
B    102 VAL CA  . - B    103 ARG CA  . mod.= 3.810 id.= 3.812 dev=  0.003 sig.= 0.000
B    102 VAL CA  . - B    103 ARG C   . mod.= 4.595 id.= 4.599 dev=  0.005 sig.= 0.000
B    102 VAL CA  . - B    103 ARG O   . mod.= 4.985 id.= 4.988 dev=  0.002 sig.= 0.000
B    102 VAL CA  . - B    104 ALA N   . mod.= 5.276 id.= 5.282 dev=  0.005 sig.= 0.000
B    102 VAL C   . - B    103 ARG C   . mod.= 3.246 id.= 3.249 dev=  0.003 sig.= 0.000
B    102 VAL C   . - B    104 ALA N   . mod.= 3.841 id.= 3.844 dev=  0.003 sig.= 0.000
B    102 VAL C   . - B    104 ALA CA  . mod.= 5.046 id.= 5.049 dev=  0.003 sig.= 0.000
B    102 VAL O   . - B    103 ARG O   . mod.= 4.301 id.= 4.299 dev= -0.002 sig.= 0.000
B    102 VAL O   . - B    104 ALA C   . mod.= 5.777 id.= 5.780 dev=  0.003 sig.= 0.000
B    103 ARG N   . - B    103 ARG O   . mod.= 2.954 id.= 2.952 dev= -0.002 sig.= 0.000
B    103 ARG CA  . - B    104 ALA CA  . mod.= 3.777 id.= 3.773 dev= -0.005 sig.= 0.000
B    103 ARG CA  . - B    104 ALA C   . mod.= 4.766 id.= 4.764 dev= -0.003 sig.= 0.000
B    103 ARG CA  . - B    105 LEU N   . mod.= 4.618 id.= 4.616 dev= -0.002 sig.= 0.000
B    103 ARG CA  . - B    105 LEU O   . mod.= 5.533 id.= 5.540 dev=  0.006 sig.= 0.000
B    103 ARG C   . - B    104 ALA O   . mod.= 4.653 id.= 4.656 dev=  0.002 sig.= 0.000
B    103 ARG C   . - B    105 LEU C   . mod.= 5.567 id.= 5.572 dev=  0.005 sig.= 0.000
B    103 ARG C   . - B    105 LEU O   . mod.= 5.184 id.= 5.190 dev=  0.006 sig.= 0.000
B    103 ARG O   . - B    104 ALA O   . mod.= 4.869 id.= 4.873 dev=  0.004 sig.= 0.000
B    103 ARG O   . - B    105 LEU O   . mod.= 5.868 id.= 5.874 dev=  0.006 sig.= 0.000
B    103 ARG O   . - B    115 ASP O   . mod.= 5.823 id.= 5.820 dev= -0.004 sig.= 0.000
B    104 ALA N   . - B    104 ALA O   . mod.= 3.611 id.= 3.613 dev=  0.002 sig.= 0.000
B    104 ALA N   . - B    105 LEU C   . mod.= 4.719 id.= 4.722 dev=  0.002 sig.= 0.000
B    104 ALA N   . - B    105 LEU O   . mod.= 4.552 id.= 4.555 dev=  0.003 sig.= 0.000
B    104 ALA N   . - B    106 ASP N   . mod.= 5.881 id.= 5.885 dev=  0.004 sig.= 0.000
B    104 ALA N   . - B    115 ASP O   . mod.= 6.002 id.= 5.994 dev= -0.008 sig.= 0.000
B    104 ALA CA  . - B    105 LEU CA  . mod.= 3.788 id.= 3.785 dev= -0.003 sig.= 0.000
B    104 ALA CA  . - B    115 ASP CA  . mod.= 5.562 id.= 5.560 dev= -0.002 sig.= 0.000
B    104 ALA CA  . - B    115 ASP C   . mod.= 5.069 id.= 5.066 dev= -0.003 sig.= 0.000
B    104 ALA CA  . - B    115 ASP O   . mod.= 4.929 id.= 4.924 dev= -0.005 sig.= 0.000
B    104 ALA CA  . - B    116 ILE N   . mod.= 5.399 id.= 5.396 dev= -0.003 sig.= 0.000
B    104 ALA CA  . - B    116 ILE CA  . mod.= 5.586 id.= 5.583 dev= -0.003 sig.= 0.000
B    104 ALA C   . - B    105 LEU C   . mod.= 3.357 id.= 3.354 dev= -0.003 sig.= 0.000
B    104 ALA C   . - B    105 LEU O   . mod.= 3.842 id.= 3.838 dev= -0.004 sig.= 0.000
B    104 ALA C   . - B    111 GLY CA  . mod.= 4.779 id.= 4.781 dev=  0.003 sig.= 0.000
B    104 ALA C   . - B    115 ASP CA  . mod.= 5.915 id.= 5.911 dev= -0.004 sig.= 0.000
B    104 ALA C   . - B    115 ASP C   . mod.= 5.555 id.= 5.552 dev= -0.003 sig.= 0.000
B    104 ALA C   . - B    115 ASP O   . mod.= 5.727 id.= 5.721 dev= -0.005 sig.= 0.000
B    104 ALA C   . - B    116 ILE N   . mod.= 5.625 id.= 5.622 dev= -0.002 sig.= 0.000
B    104 ALA O   . - B    105 LEU CA  . mod.= 2.765 id.= 2.763 dev= -0.003 sig.= 0.000
B    104 ALA O   . - B    105 LEU C   . mod.= 3.692 id.= 3.690 dev= -0.003 sig.= 0.000
B    104 ALA O   . - B    105 LEU O   . mod.= 4.460 id.= 4.457 dev= -0.003 sig.= 0.000
B    104 ALA O   . - B    111 GLY CA  . mod.= 3.715 id.= 3.717 dev=  0.002 sig.= 0.000
B    104 ALA O   . - B    111 GLY O   . mod.= 5.556 id.= 5.560 dev=  0.004 sig.= 0.000
B    104 ALA O   . - B    112 THR N   . mod.= 4.604 id.= 4.602 dev= -0.002 sig.= 0.000
B    104 ALA O   . - B    115 ASP CA  . mod.= 5.228 id.= 5.224 dev= -0.004 sig.= 0.000
B    104 ALA O   . - B    115 ASP O   . mod.= 5.447 id.= 5.443 dev= -0.004 sig.= 0.000
B    105 LEU N   . - B    106 ASP O   . mod.= 5.472 id.= 5.475 dev=  0.003 sig.= 0.000
B    105 LEU CA  . - B    106 ASP CA  . mod.= 3.769 id.= 3.762 dev= -0.006 sig.= 0.000
B    105 LEU CA  . - B    106 ASP C   . mod.= 4.586 id.= 4.581 dev= -0.004 sig.= 0.000
B    105 LEU CA  . - B    107 ARG N   . mod.= 5.873 id.= 5.869 dev= -0.004 sig.= 0.000
B    105 LEU CA  . - B    109 GLY CA  . mod.= 5.106 id.= 5.111 dev=  0.005 sig.= 0.000
B    105 LEU CA  . - B    110 SER CA  . mod.= 4.776 id.= 4.759 dev= -0.017 sig.= 0.000
B    105 LEU CA  . - B    110 SER O   . mod.= 4.015 id.= 4.011 dev= -0.004 sig.= 0.000
B    105 LEU C   . - B    106 ASP O   . mod.= 3.194 id.= 3.197 dev=  0.002 sig.= 0.000
B    105 LEU C   . - B    109 GLY CA  . mod.= 4.948 id.= 4.953 dev=  0.006 sig.= 0.000
B    105 LEU C   . - B    109 GLY C   . mod.= 4.887 id.= 4.889 dev=  0.002 sig.= 0.000
B    105 LEU C   . - B    110 SER N   . mod.= 4.551 id.= 4.554 dev=  0.003 sig.= 0.000
B    105 LEU C   . - B    110 SER CA  . mod.= 5.110 id.= 5.102 dev= -0.009 sig.= 0.000
B    105 LEU C   . - B    110 SER C   . mod.= 4.472 id.= 4.475 dev=  0.003 sig.= 0.000
B    105 LEU O   . - B    106 ASP C   . mod.= 3.346 id.= 3.349 dev=  0.003 sig.= 0.000
B    105 LEU O   . - B    106 ASP O   . mod.= 3.163 id.= 3.166 dev=  0.003 sig.= 0.000
B    105 LEU O   . - B    107 ARG N   . mod.= 4.562 id.= 4.565 dev=  0.003 sig.= 0.000
B    105 LEU O   . - B    107 ARG CA  . mod.= 5.635 id.= 5.642 dev=  0.007 sig.= 0.000
B    105 LEU O   . - B    109 GLY CA  . mod.= 5.399 id.= 5.401 dev=  0.003 sig.= 0.000
B    106 ASP N   . - B    107 ARG CA  . mod.= 4.985 id.= 4.982 dev= -0.004 sig.= 0.000
B    106 ASP N   . - B    107 ARG C   . mod.= 5.511 id.= 5.514 dev=  0.002 sig.= 0.000
B    106 ASP N   . - B    109 GLY CA  . mod.= 4.755 id.= 4.758 dev=  0.003 sig.= 0.000
B    106 ASP N   . - B    110 SER CA  . mod.= 4.461 id.= 4.459 dev= -0.002 sig.= 0.000
B    106 ASP N   . - B    111 GLY C   . mod.= 5.895 id.= 5.893 dev= -0.002 sig.= 0.000
B    106 ASP CA  . - B    107 ARG CA  . mod.= 3.807 id.= 3.802 dev= -0.006 sig.= 0.000
B    106 ASP CA  . - B    107 ARG O   . mod.= 5.609 id.= 5.607 dev= -0.002 sig.= 0.000
B    106 ASP CA  . - B    109 GLY N   . mod.= 4.738 id.= 4.736 dev= -0.002 sig.= 0.000
B    106 ASP CA  . - B    110 SER CA  . mod.= 5.295 id.= 5.298 dev=  0.004 sig.= 0.000
B    106 ASP C   . - B    107 ARG C   . mod.= 3.201 id.= 3.204 dev=  0.003 sig.= 0.000
B    106 ASP C   . - B    110 SER CA  . mod.= 5.520 id.= 5.523 dev=  0.003 sig.= 0.000
B    106 ASP C   . - B    110 SER C   . mod.= 5.225 id.= 5.223 dev= -0.002 sig.= 0.000
B    106 ASP O   . - B    107 ARG CA  . mod.= 2.922 id.= 2.925 dev=  0.003 sig.= 0.000
B    106 ASP O   . - B    107 ARG C   . mod.= 3.149 id.= 3.153 dev=  0.004 sig.= 0.000
B    106 ASP O   . - B    108 ASN CA  . mod.= 4.235 id.= 4.237 dev=  0.002 sig.= 0.000
B    106 ASP O   . - B    108 ASN O   . mod.= 5.195 id.= 5.197 dev=  0.002 sig.= 0.000
B    106 ASP O   . - B    109 GLY O   . mod.= 5.474 id.= 5.471 dev= -0.003 sig.= 0.000
B    107 ARG N   . - B    108 ASN C   . mod.= 4.869 id.= 4.871 dev=  0.002 sig.= 0.000
B    107 ARG CA  . - B    108 ASN CA  . mod.= 3.812 id.= 3.810 dev= -0.002 sig.= 0.000
B    108 ASN N   . - B    109 GLY CA  . mod.= 4.143 id.= 4.140 dev= -0.003 sig.= 0.000
B    108 ASN N   . - B    110 SER N   . mod.= 4.494 id.= 4.491 dev= -0.004 sig.= 0.000
B    108 ASN N   . - B    110 SER CA  . mod.= 5.649 id.= 5.659 dev=  0.010 sig.= 0.000
B    108 ASN N   . - B    110 SER O   . mod.= 5.389 id.= 5.386 dev= -0.003 sig.= 0.000
B    108 ASN CA  . - B    109 GLY CA  . mod.= 3.806 id.= 3.804 dev= -0.002 sig.= 0.000
B    108 ASN CA  . - B    110 SER N   . mod.= 4.394 id.= 4.390 dev= -0.004 sig.= 0.000
B    108 ASN CA  . - B    110 SER CA  . mod.= 5.556 id.= 5.564 dev=  0.008 sig.= 0.000
B    108 ASN CA  . - B    110 SER O   . mod.= 5.893 id.= 5.889 dev= -0.004 sig.= 0.000
B    108 ASN C   . - B    110 SER CA  . mod.= 4.597 id.= 4.602 dev=  0.005 sig.= 0.000
B    108 ASN O   . - B    110 SER CA  . mod.= 4.621 id.= 4.625 dev=  0.004 sig.= 0.000
B    109 GLY CA  . - B    110 SER CA  . mod.= 3.819 id.= 3.809 dev= -0.010 sig.= 0.000
B    109 GLY CA  . - B    110 SER C   . mod.= 4.789 id.= 4.791 dev=  0.002 sig.= 0.000
B    109 GLY O   . - B    110 SER CA  . mod.= 2.746 id.= 2.729 dev= -0.016 sig.= 0.000
B    109 GLY O   . - B    110 SER C   . mod.= 4.003 id.= 4.010 dev=  0.007 sig.= 0.000
B    109 GLY O   . - B    110 SER O   . mod.= 4.710 id.= 4.712 dev=  0.003 sig.= 0.000
B    109 GLY O   . - B    111 GLY N   . mod.= 4.660 id.= 4.665 dev=  0.005 sig.= 0.000
B    109 GLY O   . - B    111 GLY CA  . mod.= 5.970 id.= 5.975 dev=  0.005 sig.= 0.000
B    109 GLY O   . - B    134 SER C   . mod.= 5.995 id.= 5.991 dev= -0.004 sig.= 0.000
B    109 GLY O   . - B    134 SER O   . mod.= 4.868 id.= 4.871 dev=  0.004 sig.= 0.000
B    110 SER N   . - B    110 SER O   . mod.= 2.780 id.= 2.778 dev= -0.002 sig.= 0.000
B    110 SER CA  . - B    111 GLY C   . mod.= 4.823 id.= 4.826 dev=  0.003 sig.= 0.000
B    110 SER C   . - B    111 GLY O   . mod.= 3.877 id.= 3.874 dev= -0.003 sig.= 0.000
B    110 SER C   . - B    112 THR N   . mod.= 4.673 id.= 4.677 dev=  0.003 sig.= 0.000
B    110 SER O   . - B    111 GLY CA  . mod.= 2.679 id.= 2.676 dev= -0.003 sig.= 0.000
B    110 SER O   . - B    111 GLY C   . mod.= 3.973 id.= 3.970 dev= -0.003 sig.= 0.000
B    110 SER O   . - B    111 GLY O   . mod.= 4.536 id.= 4.530 dev= -0.006 sig.= 0.000
B    110 SER O   . - B    112 THR N   . mod.= 4.818 id.= 4.821 dev=  0.003 sig.= 0.000
B    111 GLY N   . - B    112 THR N   . mod.= 3.658 id.= 3.661 dev=  0.003 sig.= 0.000
B    111 GLY N   . - B    112 THR O   . mod.= 5.317 id.= 5.313 dev= -0.004 sig.= 0.000
B    111 GLY CA  . - B    113 LEU N   . mod.= 5.572 id.= 5.569 dev= -0.003 sig.= 0.000
B    111 GLY C   . - B    112 THR C   . mod.= 3.129 id.= 3.131 dev=  0.003 sig.= 0.000
B    111 GLY O   . - B    112 THR CA  . mod.= 2.777 id.= 2.774 dev= -0.004 sig.= 0.000
B    111 GLY O   . - B    112 THR C   . mod.= 3.263 id.= 3.266 dev=  0.003 sig.= 0.000
B    111 GLY O   . - B    112 THR O   . mod.= 3.607 id.= 3.610 dev=  0.003 sig.= 0.000
B    111 GLY O   . - B    113 LEU N   . mod.= 3.983 id.= 3.980 dev= -0.003 sig.= 0.000
B    112 THR N   . - B    113 LEU C   . mod.= 5.432 id.= 5.436 dev=  0.004 sig.= 0.000
B    112 THR N   . - B    115 ASP CA  . mod.= 5.415 id.= 5.412 dev= -0.002 sig.= 0.000
B    112 THR CA  . - B    113 LEU C   . mod.= 4.460 id.= 4.464 dev=  0.003 sig.= 0.000
B    112 THR CA  . - B    113 LEU O   . mod.= 5.374 id.= 5.379 dev=  0.005 sig.= 0.000
B    112 THR CA  . - B    114 SER CA  . mod.= 5.448 id.= 5.452 dev=  0.004 sig.= 0.000
B    112 THR C   . - B    113 LEU O   . mod.= 3.927 id.= 3.931 dev=  0.004 sig.= 0.000
B    112 THR C   . - B    114 SER N   . mod.= 3.314 id.= 3.312 dev= -0.002 sig.= 0.000
B    112 THR C   . - B    115 ASP N   . mod.= 3.944 id.= 3.940 dev= -0.004 sig.= 0.000
B    112 THR C   . - B    115 ASP CA  . mod.= 4.703 id.= 4.699 dev= -0.005 sig.= 0.000
B    112 THR C   . - B    116 ILE CA  . mod.= 5.168 id.= 5.170 dev=  0.002 sig.= 0.000
B    112 THR C   . - B    117 ALA N   . mod.= 5.989 id.= 5.993 dev=  0.004 sig.= 0.000
B    112 THR O   . - B    113 LEU O   . mod.= 3.602 id.= 3.605 dev=  0.003 sig.= 0.000
B    112 THR O   . - B    115 ASP CA  . mod.= 3.849 id.= 3.846 dev= -0.003 sig.= 0.000
B    112 THR O   . - B    115 ASP O   . mod.= 5.150 id.= 5.147 dev= -0.003 sig.= 0.000
B    112 THR O   . - B    116 ILE C   . mod.= 5.176 id.= 5.180 dev=  0.004 sig.= 0.000
B    112 THR O   . - B    117 ALA N   . mod.= 5.126 id.= 5.130 dev=  0.004 sig.= 0.000
B    113 LEU N   . - B    113 LEU O   . mod.= 3.515 id.= 3.517 dev=  0.003 sig.= 0.000
B    113 LEU N   . - B    114 SER N   . mod.= 2.841 id.= 2.843 dev=  0.002 sig.= 0.000
B    113 LEU N   . - B    115 ASP CA  . mod.= 5.465 id.= 5.462 dev= -0.003 sig.= 0.000
B    113 LEU N   . - B    115 ASP C   . mod.= 5.761 id.= 5.758 dev= -0.003 sig.= 0.000
B    113 LEU N   . - B    116 ILE N   . mod.= 4.915 id.= 4.912 dev= -0.004 sig.= 0.000
B    113 LEU N   . - B    116 ILE CA  . mod.= 5.696 id.= 5.692 dev= -0.004 sig.= 0.000
B    113 LEU CA  . - B    114 SER C   . mod.= 4.499 id.= 4.503 dev=  0.003 sig.= 0.000
B    113 LEU CA  . - B    115 ASP CA  . mod.= 5.565 id.= 5.563 dev= -0.002 sig.= 0.000
B    113 LEU CA  . - B    116 ILE N   . mod.= 4.665 id.= 4.661 dev= -0.003 sig.= 0.000
B    113 LEU CA  . - B    116 ILE CA  . mod.= 5.229 id.= 5.226 dev= -0.004 sig.= 0.000
B    113 LEU CA  . - B    117 ALA N   . mod.= 5.089 id.= 5.092 dev=  0.003 sig.= 0.000
B    113 LEU CA  . - B    117 ALA CA  . mod.= 5.979 id.= 5.986 dev=  0.007 sig.= 0.000
B    113 LEU C   . - B    114 SER C   . mod.= 3.109 id.= 3.111 dev=  0.002 sig.= 0.000
B    113 LEU C   . - B    115 ASP O   . mod.= 5.731 id.= 5.728 dev= -0.003 sig.= 0.000
B    113 LEU C   . - B    116 ILE N   . mod.= 3.937 id.= 3.935 dev= -0.002 sig.= 0.000
B    113 LEU C   . - B    116 ILE CA  . mod.= 4.663 id.= 4.660 dev= -0.003 sig.= 0.000
B    113 LEU C   . - B    117 ALA CA  . mod.= 4.863 id.= 4.867 dev=  0.004 sig.= 0.000
B    113 LEU C   . - B    117 ALA C   . mod.= 5.935 id.= 5.941 dev=  0.005 sig.= 0.000
B    113 LEU C   . - B    118 ASP N   . mod.= 5.774 id.= 5.777 dev=  0.003 sig.= 0.000
B    113 LEU O   . - B    114 SER C   . mod.= 3.087 id.= 3.094 dev=  0.006 sig.= 0.000
B    113 LEU O   . - B    115 ASP N   . mod.= 3.519 id.= 3.523 dev=  0.004 sig.= 0.000
B    113 LEU O   . - B    115 ASP O   . mod.= 5.130 id.= 5.127 dev= -0.002 sig.= 0.000
B    113 LEU O   . - B    116 ILE N   . mod.= 3.430 id.= 3.427 dev= -0.003 sig.= 0.000
B    113 LEU O   . - B    116 ILE CA  . mod.= 3.888 id.= 3.882 dev= -0.006 sig.= 0.000
B    113 LEU O   . - B    116 ILE C   . mod.= 3.862 id.= 3.858 dev= -0.004 sig.= 0.000
B    113 LEU O   . - B    116 ILE O   . mod.= 5.055 id.= 5.052 dev= -0.002 sig.= 0.000
B    113 LEU O   . - B    117 ALA N   . mod.= 2.924 id.= 2.922 dev= -0.002 sig.= 0.000
B    113 LEU O   . - B    117 ALA C   . mod.= 4.826 id.= 4.832 dev=  0.006 sig.= 0.000
B    113 LEU O   . - B    117 ALA O   . mod.= 5.966 id.= 5.971 dev=  0.005 sig.= 0.000
B    113 LEU O   . - B    118 ASP N   . mod.= 4.823 id.= 4.827 dev=  0.003 sig.= 0.000
B    113 LEU O   . - B    143 THR C   . mod.= 5.918 id.= 5.926 dev=  0.008 sig.= 0.000
B    113 LEU O   . - B    144 LEU N   . mod.= 5.951 id.= 5.965 dev=  0.014 sig.= 0.000
B    114 SER N   . - B    115 ASP O   . mod.= 5.866 id.= 5.863 dev= -0.003 sig.= 0.000
B    114 SER N   . - B    116 ILE C   . mod.= 5.699 id.= 5.703 dev=  0.003 sig.= 0.000
B    114 SER N   . - B    117 ALA N   . mod.= 4.826 id.= 4.830 dev=  0.004 sig.= 0.000
B    114 SER N   . - B    117 ALA CA  . mod.= 5.517 id.= 5.524 dev=  0.007 sig.= 0.000
B    114 SER N   . - B    118 ASP N   . mod.= 5.935 id.= 5.939 dev=  0.004 sig.= 0.000
B    114 SER CA  . - B    115 ASP CA  . mod.= 3.831 id.= 3.835 dev=  0.005 sig.= 0.000
B    114 SER CA  . - B    117 ALA N   . mod.= 4.698 id.= 4.694 dev= -0.004 sig.= 0.000
B    114 SER CA  . - B    117 ALA CA  . mod.= 5.177 id.= 5.175 dev= -0.002 sig.= 0.000
B    114 SER C   . - B    115 ASP C   . mod.= 3.148 id.= 3.146 dev= -0.002 sig.= 0.000
B    114 SER C   . - B    115 ASP O   . mod.= 3.951 id.= 3.948 dev= -0.004 sig.= 0.000
B    114 SER O   . - B    115 ASP CA  . mod.= 2.856 id.= 2.859 dev=  0.003 sig.= 0.000
B    114 SER O   . - B    117 ALA N   . mod.= 3.524 id.= 3.520 dev= -0.003 sig.= 0.000
B    114 SER O   . - B    117 ALA CA  . mod.= 3.890 id.= 3.887 dev= -0.003 sig.= 0.000
B    114 SER O   . - B    117 ALA C   . mod.= 3.874 id.= 3.871 dev= -0.003 sig.= 0.000
B    114 SER O   . - B    118 ASP C   . mod.= 4.895 id.= 4.900 dev=  0.005 sig.= 0.000
B    114 SER O   . - B    119 ALA N   . mod.= 4.949 id.= 4.953 dev=  0.004 sig.= 0.000
B    115 ASP N   . - B    115 ASP O   . mod.= 3.505 id.= 3.501 dev= -0.004 sig.= 0.000
B    115 ASP N   . - B    116 ILE C   . mod.= 4.778 id.= 4.780 dev=  0.002 sig.= 0.000
B    115 ASP CA  . - B    117 ALA C   . mod.= 5.577 id.= 5.574 dev= -0.003 sig.= 0.000
B    115 ASP CA  . - B    118 ASP N   . mod.= 4.588 id.= 4.586 dev= -0.002 sig.= 0.000
B    115 ASP CA  . - B    118 ASP C   . mod.= 5.604 id.= 5.599 dev= -0.005 sig.= 0.000
B    115 ASP CA  . - B    119 ALA N   . mod.= 5.072 id.= 5.069 dev= -0.003 sig.= 0.000
B    115 ASP C   . - B    116 ILE C   . mod.= 3.138 id.= 3.142 dev=  0.003 sig.= 0.000
B    115 ASP C   . - B    117 ALA C   . mod.= 4.689 id.= 4.687 dev= -0.002 sig.= 0.000
B    115 ASP C   . - B    117 ALA O   . mod.= 5.748 id.= 5.746 dev= -0.002 sig.= 0.000
B    115 ASP C   . - B    118 ASP N   . mod.= 3.901 id.= 3.898 dev= -0.003 sig.= 0.000
B    115 ASP C   . - B    118 ASP C   . mod.= 4.811 id.= 4.806 dev= -0.005 sig.= 0.000
B    115 ASP C   . - B    119 ALA N   . mod.= 4.031 id.= 4.027 dev= -0.004 sig.= 0.000
B    115 ASP C   . - B    119 ALA CA  . mod.= 4.861 id.= 4.859 dev= -0.002 sig.= 0.000
B    115 ASP O   . - B    116 ILE CA  . mod.= 2.799 id.= 2.802 dev=  0.003 sig.= 0.000
B    115 ASP O   . - B    116 ILE C   . mod.= 3.136 id.= 3.140 dev=  0.004 sig.= 0.000
B    115 ASP O   . - B    116 ILE O   . mod.= 3.502 id.= 3.505 dev=  0.002 sig.= 0.000
B    115 ASP O   . - B    117 ALA C   . mod.= 4.340 id.= 4.337 dev= -0.003 sig.= 0.000
B    115 ASP O   . - B    117 ALA O   . mod.= 5.233 id.= 5.230 dev= -0.003 sig.= 0.000
B    115 ASP O   . - B    118 ASP N   . mod.= 3.491 id.= 3.488 dev= -0.003 sig.= 0.000
B    115 ASP O   . - B    118 ASP C   . mod.= 3.810 id.= 3.804 dev= -0.006 sig.= 0.000
B    115 ASP O   . - B    118 ASP O   . mod.= 4.964 id.= 4.959 dev= -0.005 sig.= 0.000
B    115 ASP O   . - B    119 ALA N   . mod.= 2.923 id.= 2.920 dev= -0.002 sig.= 0.000
B    115 ASP O   . - B    119 ALA C   . mod.= 4.972 id.= 4.975 dev=  0.002 sig.= 0.000
B    116 ILE N   . - B    119 ALA N   . mod.= 4.701 id.= 4.699 dev= -0.002 sig.= 0.000
B    116 ILE CA  . - B    119 ALA N   . mod.= 4.476 id.= 4.473 dev= -0.002 sig.= 0.000
B    116 ILE CA  . - B    119 ALA CA  . mod.= 4.968 id.= 4.966 dev= -0.002 sig.= 0.000
B    116 ILE C   . - B    117 ALA C   . mod.= 3.129 id.= 3.132 dev=  0.003 sig.= 0.000
B    116 ILE C   . - B    118 ASP C   . mod.= 4.601 id.= 4.603 dev=  0.002 sig.= 0.000
B    116 ILE O   . - B    117 ALA C   . mod.= 3.122 id.= 3.125 dev=  0.003 sig.= 0.000
B    116 ILE O   . - B    119 ALA N   . mod.= 3.246 id.= 3.244 dev= -0.002 sig.= 0.000
B    116 ILE O   . - B    119 ALA C   . mod.= 3.732 id.= 3.730 dev= -0.003 sig.= 0.000
B    116 ILE O   . - B    119 ALA O   . mod.= 4.925 id.= 4.922 dev= -0.002 sig.= 0.000
B    116 ILE O   . - B    120 ILE C   . mod.= 5.098 id.= 5.100 dev=  0.003 sig.= 0.000
B    116 ILE O   . - B    121 ILE N   . mod.= 5.145 id.= 5.147 dev=  0.002 sig.= 0.000
B    117 ALA N   . - B    117 ALA O   . mod.= 3.501 id.= 3.504 dev=  0.003 sig.= 0.000
B    117 ALA N   . - B    118 ASP C   . mod.= 4.696 id.= 4.699 dev=  0.003 sig.= 0.000
B    117 ALA CA  . - B    118 ASP CA  . mod.= 3.833 id.= 3.830 dev= -0.002 sig.= 0.000
B    117 ALA CA  . - B    118 ASP C   . mod.= 4.472 id.= 4.478 dev=  0.005 sig.= 0.000
B    117 ALA CA  . - B    118 ASP O   . mod.= 5.407 id.= 5.411 dev=  0.004 sig.= 0.000
B    117 ALA CA  . - B    120 ILE CA  . mod.= 5.170 id.= 5.166 dev= -0.003 sig.= 0.000
B    117 ALA CA  . - B    121 ILE N   . mod.= 5.303 id.= 5.306 dev=  0.003 sig.= 0.000
B    117 ALA CA  . - B    143 THR C   . mod.= 5.614 id.= 5.609 dev= -0.005 sig.= 0.000
B    117 ALA CA  . - B    144 LEU N   . mod.= 5.896 id.= 5.899 dev=  0.002 sig.= 0.000
B    117 ALA CA  . - B    144 LEU CA  . mod.= 5.480 id.= 5.482 dev=  0.002 sig.= 0.000
B    117 ALA C   . - B    118 ASP C   . mod.= 3.128 id.= 3.131 dev=  0.003 sig.= 0.000
B    117 ALA C   . - B    122 TYR N   . mod.= 5.991 id.= 5.994 dev=  0.003 sig.= 0.000
B    117 ALA C   . - B    143 THR O   . mod.= 5.964 id.= 5.957 dev= -0.007 sig.= 0.000
B    117 ALA C   . - B    147 ALA CA  . mod.= 5.539 id.= 5.536 dev= -0.003 sig.= 0.000
B    117 ALA O   . - B    118 ASP CA  . mod.= 2.888 id.= 2.881 dev= -0.007 sig.= 0.000
B    117 ALA O   . - B    118 ASP C   . mod.= 3.158 id.= 3.161 dev=  0.003 sig.= 0.000
B    117 ALA O   . - B    120 ILE CA  . mod.= 3.782 id.= 3.777 dev= -0.005 sig.= 0.000
B    117 ALA O   . - B    121 ILE C   . mod.= 5.122 id.= 5.126 dev=  0.005 sig.= 0.000
B    117 ALA O   . - B    122 TYR N   . mod.= 5.098 id.= 5.102 dev=  0.003 sig.= 0.000
B    117 ALA O   . - B    147 ALA N   . mod.= 5.936 id.= 5.927 dev= -0.009 sig.= 0.000
B    117 ALA O   . - B    147 ALA CA  . mod.= 4.820 id.= 4.814 dev= -0.005 sig.= 0.000
B    118 ASP N   . - B    118 ASP O   . mod.= 3.521 id.= 3.525 dev=  0.003 sig.= 0.000
B    118 ASP N   . - B    119 ALA N   . mod.= 2.802 id.= 2.805 dev=  0.003 sig.= 0.000
B    118 ASP N   . - B    119 ALA CA  . mod.= 4.217 id.= 4.220 dev=  0.003 sig.= 0.000
B    118 ASP N   . - B    119 ALA C   . mod.= 4.776 id.= 4.778 dev=  0.002 sig.= 0.000
B    118 ASP N   . - B    119 ALA O   . mod.= 5.910 id.= 5.912 dev=  0.002 sig.= 0.000
B    118 ASP N   . - B    120 ILE CA  . mod.= 5.334 id.= 5.332 dev= -0.002 sig.= 0.000
B    118 ASP CA  . - B    119 ALA CA  . mod.= 3.844 id.= 3.851 dev=  0.006 sig.= 0.000
B    118 ASP CA  . - B    119 ALA C   . mod.= 4.515 id.= 4.520 dev=  0.005 sig.= 0.000
B    118 ASP CA  . - B    119 ALA O   . mod.= 5.478 id.= 5.483 dev=  0.005 sig.= 0.000
B    118 ASP CA  . - B    120 ILE CA  . mod.= 5.501 id.= 5.499 dev= -0.003 sig.= 0.000
B    118 ASP CA  . - B    120 ILE C   . mod.= 5.605 id.= 5.602 dev= -0.003 sig.= 0.000
B    118 ASP CA  . - B    121 ILE N   . mod.= 4.674 id.= 4.669 dev= -0.005 sig.= 0.000
B    118 ASP CA  . - B    121 ILE CA  . mod.= 5.204 id.= 5.199 dev= -0.005 sig.= 0.000
B    118 ASP CA  . - B    121 ILE C   . mod.= 5.746 id.= 5.742 dev= -0.003 sig.= 0.000
B    118 ASP CA  . - B    122 TYR N   . mod.= 5.164 id.= 5.166 dev=  0.002 sig.= 0.000
B    118 ASP O   . - B    121 ILE N   . mod.= 3.535 id.= 3.533 dev= -0.002 sig.= 0.000
B    118 ASP O   . - B    121 ILE C   . mod.= 3.919 id.= 3.915 dev= -0.004 sig.= 0.000
B    118 ASP O   . - B    121 ILE O   . mod.= 5.106 id.= 5.103 dev= -0.002 sig.= 0.000
B    118 ASP O   . - B    122 TYR C   . mod.= 4.965 id.= 4.968 dev=  0.004 sig.= 0.000
B    118 ASP O   . - B    123 ALA N   . mod.= 5.032 id.= 5.035 dev=  0.003 sig.= 0.000
B    119 ALA N   . - B    122 TYR CA  . mod.= 5.474 id.= 5.472 dev= -0.002 sig.= 0.000
B    119 ALA CA  . - B    120 ILE CA  . mod.= 3.866 id.= 3.870 dev=  0.005 sig.= 0.000
B    119 ALA CA  . - B    120 ILE C   . mod.= 4.530 id.= 4.533 dev=  0.002 sig.= 0.000
B    119 ALA CA  . - B    122 TYR N   . mod.= 4.620 id.= 4.617 dev= -0.002 sig.= 0.000
B    119 ALA CA  . - B    122 TYR CA  . mod.= 5.061 id.= 5.056 dev= -0.005 sig.= 0.000
B    119 ALA C   . - B    122 TYR CA  . mod.= 4.496 id.= 4.493 dev= -0.003 sig.= 0.000
B    119 ALA O   . - B    120 ILE CA  . mod.= 2.882 id.= 2.886 dev=  0.004 sig.= 0.000
B    119 ALA O   . - B    122 TYR CA  . mod.= 3.843 id.= 3.838 dev= -0.005 sig.= 0.000
B    119 ALA O   . - B    122 TYR C   . mod.= 3.846 id.= 3.844 dev= -0.002 sig.= 0.000
B    119 ALA O   . - B    122 TYR O   . mod.= 5.008 id.= 5.005 dev= -0.003 sig.= 0.000
B    119 ALA O   . - B    123 ALA C   . mod.= 4.943 id.= 4.947 dev=  0.003 sig.= 0.000
B    119 ALA O   . - B    124 ALA N   . mod.= 5.041 id.= 5.044 dev=  0.003 sig.= 0.000
B    120 ILE N   . - B    121 ILE C   . mod.= 4.727 id.= 4.730 dev=  0.003 sig.= 0.000
B    120 ILE N   . - B    122 TYR CA  . mod.= 5.192 id.= 5.190 dev= -0.003 sig.= 0.000
B    120 ILE CA  . - B    121 ILE CA  . mod.= 3.833 id.= 3.830 dev= -0.002 sig.= 0.000
B    120 ILE CA  . - B    121 ILE C   . mod.= 4.487 id.= 4.492 dev=  0.004 sig.= 0.000
B    120 ILE CA  . - B    147 ALA O   . mod.= 5.439 id.= 5.437 dev= -0.002 sig.= 0.000
B    120 ILE C   . - B    121 ILE C   . mod.= 3.116 id.= 3.122 dev=  0.006 sig.= 0.000
B    120 ILE C   . - B    123 ALA C   . mod.= 4.832 id.= 4.830 dev= -0.002 sig.= 0.000
B    120 ILE C   . - B    125 ASP N   . mod.= 5.896 id.= 5.899 dev=  0.002 sig.= 0.000
B    120 ILE C   . - B    147 ALA CA  . mod.= 5.850 id.= 5.845 dev= -0.005 sig.= 0.000
B    120 ILE C   . - B    151 ALA CA  . mod.= 5.886 id.= 5.890 dev=  0.005 sig.= 0.000
B    120 ILE O   . - B    121 ILE C   . mod.= 3.098 id.= 3.105 dev=  0.007 sig.= 0.000
B    120 ILE O   . - B    121 ILE O   . mod.= 3.477 id.= 3.480 dev=  0.002 sig.= 0.000
B    120 ILE O   . - B    123 ALA N   . mod.= 3.283 id.= 3.281 dev= -0.002 sig.= 0.000
B    120 ILE O   . - B    123 ALA CA  . mod.= 3.689 id.= 3.685 dev= -0.003 sig.= 0.000
B    120 ILE O   . - B    123 ALA C   . mod.= 3.738 id.= 3.735 dev= -0.003 sig.= 0.000
B    120 ILE O   . - B    123 ALA O   . mod.= 4.921 id.= 4.918 dev= -0.003 sig.= 0.000
B    120 ILE O   . - B    124 ALA C   . mod.= 4.990 id.= 4.994 dev=  0.004 sig.= 0.000
B    120 ILE O   . - B    125 ASP N   . mod.= 5.002 id.= 5.006 dev=  0.004 sig.= 0.000
B    120 ILE O   . - B    151 ALA CA  . mod.= 5.236 id.= 5.240 dev=  0.005 sig.= 0.000
B    121 ILE N   . - B    147 ALA CA  . mod.= 5.483 id.= 5.478 dev= -0.005 sig.= 0.000
B    121 ILE CA  . - B    122 TYR CA  . mod.= 3.855 id.= 3.858 dev=  0.003 sig.= 0.000
B    121 ILE CA  . - B    122 TYR C   . mod.= 4.504 id.= 4.507 dev=  0.002 sig.= 0.000
B    121 ILE CA  . - B    122 TYR O   . mod.= 5.423 id.= 5.426 dev=  0.003 sig.= 0.000
B    121 ILE CA  . - B    123 ALA C   . mod.= 5.529 id.= 5.526 dev= -0.003 sig.= 0.000
B    121 ILE CA  . - B    124 ALA N   . mod.= 4.542 id.= 4.538 dev= -0.004 sig.= 0.000
B    121 ILE CA  . - B    124 ALA CA  . mod.= 5.051 id.= 5.046 dev= -0.005 sig.= 0.000
B    121 ILE CA  . - B    124 ALA C   . mod.= 5.583 id.= 5.581 dev= -0.003 sig.= 0.000
B    121 ILE CA  . - B    147 ALA CA  . mod.= 5.811 id.= 5.805 dev= -0.006 sig.= 0.000
B    121 ILE CA  . - B    147 ALA C   . mod.= 5.859 id.= 5.856 dev= -0.002 sig.= 0.000
B    121 ILE CA  . - B    147 ALA O   . mod.= 5.180 id.= 5.176 dev= -0.004 sig.= 0.000
B    121 ILE C   . - B    123 ALA C   . mod.= 4.619 id.= 4.621 dev=  0.002 sig.= 0.000
B    121 ILE O   . - B    122 TYR O   . mod.= 3.617 id.= 3.619 dev=  0.002 sig.= 0.000
B    121 ILE O   . - B    124 ALA N   . mod.= 3.251 id.= 3.248 dev= -0.003 sig.= 0.000
B    121 ILE O   . - B    124 ALA CA  . mod.= 3.588 id.= 3.584 dev= -0.004 sig.= 0.000
B    121 ILE O   . - B    124 ALA C   . mod.= 3.588 id.= 3.585 dev= -0.003 sig.= 0.000
B    121 ILE O   . - B    124 ALA O   . mod.= 4.751 id.= 4.748 dev= -0.003 sig.= 0.000
B    121 ILE O   . - B    125 ASP CA  . mod.= 3.657 id.= 3.660 dev=  0.002 sig.= 0.000
B    121 ILE O   . - B    125 ASP C   . mod.= 4.894 id.= 4.897 dev=  0.003 sig.= 0.000
B    121 ILE O   . - B    126 SER N   . mod.= 4.965 id.= 4.967 dev=  0.003 sig.= 0.000
B    122 TYR N   . - B    124 ALA N   . mod.= 4.219 id.= 4.217 dev= -0.002 sig.= 0.000
B    122 TYR N   . - B    124 ALA CA  . mod.= 5.173 id.= 5.171 dev= -0.002 sig.= 0.000
B    122 TYR N   . - B    124 ALA C   . mod.= 5.420 id.= 5.417 dev= -0.002 sig.= 0.000
B    122 TYR N   . - B    126 SER N   . mod.= 5.907 id.= 5.909 dev=  0.003 sig.= 0.000
B    122 TYR CA  . - B    123 ALA C   . mod.= 4.443 id.= 4.445 dev=  0.002 sig.= 0.000
B    122 TYR CA  . - B    126 SER N   . mod.= 5.017 id.= 5.020 dev=  0.004 sig.= 0.000
B    122 TYR C   . - B    123 ALA C   . mod.= 3.077 id.= 3.080 dev=  0.002 sig.= 0.000
B    122 TYR C   . - B    125 ASP CA  . mod.= 4.323 id.= 4.321 dev= -0.002 sig.= 0.000
B    122 TYR C   . - B    125 ASP C   . mod.= 4.637 id.= 4.634 dev= -0.003 sig.= 0.000
B    122 TYR C   . - B    126 SER CA  . mod.= 4.817 id.= 4.815 dev= -0.003 sig.= 0.000
B    122 TYR C   . - B    126 SER C   . mod.= 5.934 id.= 5.937 dev=  0.004 sig.= 0.000
B    122 TYR O   . - B    125 ASP CA  . mod.= 3.593 id.= 3.591 dev= -0.003 sig.= 0.000
B    122 TYR O   . - B    125 ASP C   . mod.= 3.595 id.= 3.592 dev= -0.003 sig.= 0.000
B    122 TYR O   . - B    126 SER N   . mod.= 2.816 id.= 2.819 dev=  0.002 sig.= 0.000
B    122 TYR O   . - B    126 SER C   . mod.= 4.875 id.= 4.879 dev=  0.004 sig.= 0.000
B    122 TYR O   . - B    126 SER O   . mod.= 5.814 id.= 5.819 dev=  0.004 sig.= 0.000
B    122 TYR O   . - B    127 GLY N   . mod.= 5.182 id.= 5.186 dev=  0.004 sig.= 0.000
B    123 ALA N   . - B    126 SER CA  . mod.= 5.393 id.= 5.388 dev= -0.005 sig.= 0.000
B    123 ALA CA  . - B    124 ALA C   . mod.= 4.469 id.= 4.472 dev=  0.003 sig.= 0.000
B    123 ALA CA  . - B    124 ALA O   . mod.= 5.405 id.= 5.408 dev=  0.003 sig.= 0.000
B    123 ALA CA  . - B    126 SER CA  . mod.= 4.969 id.= 4.962 dev= -0.008 sig.= 0.000
B    123 ALA CA  . - B    126 SER C   . mod.= 5.543 id.= 5.545 dev=  0.002 sig.= 0.000
B    123 ALA CA  . - B    127 GLY N   . mod.= 5.547 id.= 5.549 dev=  0.003 sig.= 0.000
B    123 ALA CA  . - B    128 ALA CA  . mod.= 5.525 id.= 5.528 dev=  0.003 sig.= 0.000
B    123 ALA C   . - B    124 ALA C   . mod.= 3.137 id.= 3.139 dev=  0.002 sig.= 0.000
B    123 ALA C   . - B    126 SER CA  . mod.= 4.443 id.= 4.438 dev= -0.005 sig.= 0.000
B    123 ALA C   . - B    128 ALA N   . mod.= 4.263 id.= 4.261 dev= -0.002 sig.= 0.000
B    123 ALA C   . - B    128 ALA CA  . mod.= 4.777 id.= 4.773 dev= -0.004 sig.= 0.000
B    123 ALA C   . - B    128 ALA O   . mod.= 5.206 id.= 5.210 dev=  0.004 sig.= 0.000
B    123 ALA O   . - B    124 ALA C   . mod.= 3.164 id.= 3.166 dev=  0.002 sig.= 0.000
B    123 ALA O   . - B    124 ALA O   . mod.= 3.664 id.= 3.666 dev=  0.002 sig.= 0.000
B    123 ALA O   . - B    125 ASP CA  . mod.= 4.547 id.= 4.545 dev= -0.002 sig.= 0.000
B    123 ALA O   . - B    126 SER CA  . mod.= 3.696 id.= 3.690 dev= -0.006 sig.= 0.000
B    123 ALA O   . - B    127 GLY O   . mod.= 5.290 id.= 5.293 dev=  0.003 sig.= 0.000
B    123 ALA O   . - B    128 ALA CA  . mod.= 3.774 id.= 3.771 dev= -0.003 sig.= 0.000
B    123 ALA O   . - B    128 ALA O   . mod.= 4.502 id.= 4.509 dev=  0.007 sig.= 0.000
B    123 ALA O   . - B    129 GLU N   . mod.= 5.938 id.= 5.936 dev= -0.002 sig.= 0.000
B    124 ALA N   . - B    126 SER CA  . mod.= 5.168 id.= 5.164 dev= -0.004 sig.= 0.000
B    124 ALA N   . - B    127 GLY C   . mod.= 5.948 id.= 5.946 dev= -0.002 sig.= 0.000
B    124 ALA N   . - B    128 ALA N   . mod.= 5.052 id.= 5.049 dev= -0.003 sig.= 0.000
B    124 ALA N   . - B    128 ALA CA  . mod.= 5.659 id.= 5.652 dev= -0.007 sig.= 0.000
B    124 ALA N   . - B    128 ALA O   . mod.= 5.582 id.= 5.585 dev=  0.003 sig.= 0.000
B    124 ALA N   . - B    151 ALA CA  . mod.= 5.588 id.= 5.585 dev= -0.003 sig.= 0.000
B    124 ALA CA  . - B    125 ASP C   . mod.= 4.532 id.= 4.535 dev=  0.003 sig.= 0.000
B    124 ALA CA  . - B    127 GLY N   . mod.= 4.600 id.= 4.598 dev= -0.002 sig.= 0.000
B    124 ALA CA  . - B    127 GLY C   . mod.= 5.578 id.= 5.574 dev= -0.005 sig.= 0.000
B    124 ALA CA  . - B    128 ALA N   . mod.= 4.938 id.= 4.933 dev= -0.005 sig.= 0.000
B    124 ALA CA  . - B    128 ALA CA  . mod.= 5.742 id.= 5.731 dev= -0.011 sig.= 0.000
B    124 ALA CA  . - B    128 ALA C   . mod.= 6.002 id.= 5.997 dev= -0.006 sig.= 0.000
B    124 ALA CA  . - B    151 ALA N   . mod.= 5.779 id.= 5.768 dev= -0.011 sig.= 0.000
B    124 ALA CA  . - B    151 ALA CA  . mod.= 4.825 id.= 4.821 dev= -0.004 sig.= 0.000
B    124 ALA CA  . - B    151 ALA O   . mod.= 5.345 id.= 5.350 dev=  0.005 sig.= 0.000
B    124 ALA C   . - B    125 ASP C   . mod.= 3.174 id.= 3.177 dev=  0.003 sig.= 0.000
B    124 ALA C   . - B    126 SER CA  . mod.= 4.440 id.= 4.443 dev=  0.003 sig.= 0.000
B    124 ALA C   . - B    128 ALA O   . mod.= 5.954 id.= 5.957 dev=  0.003 sig.= 0.000
B    124 ALA O   . - B    125 ASP CA  . mod.= 2.834 id.= 2.832 dev= -0.002 sig.= 0.000
B    124 ALA O   . - B    125 ASP C   . mod.= 3.204 id.= 3.208 dev=  0.004 sig.= 0.000
B    124 ALA O   . - B    126 SER CA  . mod.= 4.438 id.= 4.443 dev=  0.005 sig.= 0.000
B    124 ALA O   . - B    127 GLY C   . mod.= 4.735 id.= 4.732 dev= -0.003 sig.= 0.000
B    124 ALA O   . - B    127 GLY O   . mod.= 5.828 id.= 5.824 dev= -0.005 sig.= 0.000
B    124 ALA O   . - B    128 ALA CA  . mod.= 5.924 id.= 5.916 dev= -0.008 sig.= 0.000
B    124 ALA O   . - B    128 ALA O   . mod.= 5.688 id.= 5.691 dev=  0.003 sig.= 0.000
B    124 ALA O   . - B    154 LYS CA  . mod.= 5.841 id.= 5.830 dev= -0.011 sig.= 0.000
B    124 ALA O   . - B    154 LYS C   . mod.= 5.913 id.= 5.917 dev=  0.004 sig.= 0.000
B    124 ALA O   . - B    154 LYS O   . mod.= 5.480 id.= 5.529 dev=  0.049 sig.= 0.000
B    125 ASP N   . - B    126 SER CA  . mod.= 4.092 id.= 4.095 dev=  0.002 sig.= 0.000
B    125 ASP N   . - B    128 ALA N   . mod.= 5.779 id.= 5.777 dev= -0.002 sig.= 0.000
B    125 ASP CA  . - B    126 SER CA  . mod.= 3.785 id.= 3.789 dev=  0.004 sig.= 0.000
B    125 ASP CA  . - B    126 SER C   . mod.= 4.546 id.= 4.543 dev= -0.003 sig.= 0.000
B    125 ASP CA  . - B    127 GLY CA  . mod.= 5.465 id.= 5.462 dev= -0.003 sig.= 0.000
B    125 ASP C   . - B    127 GLY N   . mod.= 3.248 id.= 3.251 dev=  0.003 sig.= 0.000
B    125 ASP C   . - B    127 GLY CA  . mod.= 4.585 id.= 4.587 dev=  0.002 sig.= 0.000
B    125 ASP C   . - B    127 GLY C   . mod.= 5.745 id.= 5.748 dev=  0.003 sig.= 0.000
B    125 ASP C   . - B    128 ALA N   . mod.= 5.711 id.= 5.713 dev=  0.002 sig.= 0.000
B    125 ASP O   . - B    126 SER CA  . mod.= 2.785 id.= 2.791 dev=  0.007 sig.= 0.000
B    125 ASP O   . - B    126 SER C   . mod.= 3.312 id.= 3.308 dev= -0.004 sig.= 0.000
B    126 SER CA  . - B    127 GLY CA  . mod.= 3.857 id.= 3.860 dev=  0.004 sig.= 0.000
B    126 SER CA  . - B    127 GLY C   . mod.= 4.622 id.= 4.624 dev=  0.002 sig.= 0.000
B    126 SER CA  . - B    127 GLY O   . mod.= 5.668 id.= 5.672 dev=  0.004 sig.= 0.000
B    126 SER CA  . - B    128 ALA CA  . mod.= 5.654 id.= 5.650 dev= -0.004 sig.= 0.000
B    126 SER C   . - B    127 GLY C   . mod.= 3.229 id.= 3.231 dev=  0.002 sig.= 0.000
B    126 SER C   . - B    127 GLY O   . mod.= 4.197 id.= 4.200 dev=  0.003 sig.= 0.000
B    126 SER C   . - B    128 ALA N   . mod.= 3.371 id.= 3.374 dev=  0.002 sig.= 0.000
B    126 SER C   . - B    128 ALA C   . mod.= 5.814 id.= 5.818 dev=  0.003 sig.= 0.000
B    126 SER O   . - B    127 GLY O   . mod.= 3.933 id.= 3.937 dev=  0.004 sig.= 0.000
B    127 GLY N   . - B    128 ALA CA  . mod.= 4.268 id.= 4.264 dev= -0.004 sig.= 0.000
B    127 GLY N   . - B    128 ALA O   . mod.= 5.244 id.= 5.247 dev=  0.003 sig.= 0.000
B    127 GLY CA  . - B    128 ALA CA  . mod.= 3.845 id.= 3.842 dev= -0.003 sig.= 0.000
B    127 GLY CA  . - B    128 ALA C   . mod.= 4.443 id.= 4.445 dev=  0.003 sig.= 0.000
B    127 GLY CA  . - B    128 ALA O   . mod.= 4.583 id.= 4.589 dev=  0.005 sig.= 0.000
B    127 GLY C   . - B    129 GLU C   . mod.= 5.925 id.= 5.930 dev=  0.005 sig.= 0.000
B    127 GLY O   . - B    128 ALA C   . mod.= 3.108 id.= 3.111 dev=  0.003 sig.= 0.000
B    127 GLY O   . - B    129 GLU N   . mod.= 3.262 id.= 3.264 dev=  0.002 sig.= 0.000
B    127 GLY O   . - B    129 GLU C   . mod.= 5.574 id.= 5.578 dev=  0.003 sig.= 0.000
B    128 ALA N   . - B    128 ALA O   . mod.= 2.865 id.= 2.868 dev=  0.003 sig.= 0.000
B    128 ALA N   . - B    129 GLU N   . mod.= 3.412 id.= 3.409 dev= -0.002 sig.= 0.000
B    128 ALA N   . - B    129 GLU C   . mod.= 5.532 id.= 5.537 dev=  0.005 sig.= 0.000
B    128 ALA N   . - B    130 VAL N   . mod.= 5.647 id.= 5.644 dev= -0.003 sig.= 0.000
B    128 ALA CA  . - B    129 GLU CA  . mod.= 3.825 id.= 3.820 dev= -0.005 sig.= 0.000
B    128 ALA CA  . - B    129 GLU O   . mod.= 5.454 id.= 5.456 dev=  0.002 sig.= 0.000
B    128 ALA CA  . - B    130 VAL N   . mod.= 4.373 id.= 4.369 dev= -0.005 sig.= 0.000
B    128 ALA CA  . - B    130 VAL CA  . mod.= 5.465 id.= 5.461 dev= -0.004 sig.= 0.000
B    128 ALA CA  . - B    130 VAL O   . mod.= 4.708 id.= 4.699 dev= -0.009 sig.= 0.000
B    128 ALA C   . - B    129 GLU C   . mod.= 3.094 id.= 3.098 dev=  0.003 sig.= 0.000
B    128 ALA C   . - B    129 GLU O   . mod.= 3.978 id.= 3.984 dev=  0.006 sig.= 0.000
B    128 ALA C   . - B    130 VAL O   . mod.= 4.368 id.= 4.364 dev= -0.005 sig.= 0.000
B    128 ALA C   . - B    156 SER N   . mod.= 5.681 id.= 5.673 dev= -0.009 sig.= 0.000
B    128 ALA O   . - B    129 GLU C   . mod.= 3.161 id.= 3.169 dev=  0.008 sig.= 0.000
B    128 ALA O   . - B    129 GLU O   . mod.= 3.706 id.= 3.718 dev=  0.012 sig.= 0.000
B    128 ALA O   . - B    130 VAL CA  . mod.= 4.560 id.= 4.562 dev=  0.002 sig.= 0.000
B    128 ALA O   . - B    130 VAL C   . mod.= 4.669 id.= 4.673 dev=  0.003 sig.= 0.000
B    128 ALA O   . - B    130 VAL O   . mod.= 4.693 id.= 4.689 dev= -0.004 sig.= 0.000
B    128 ALA O   . - B    131 ILE N   . mod.= 5.278 id.= 5.280 dev=  0.003 sig.= 0.000
B    128 ALA O   . - B    155 GLY O   . mod.= 5.241 id.= 5.248 dev=  0.008 sig.= 0.000
B    128 ALA O   . - B    156 SER N   . mod.= 4.568 id.= 4.565 dev= -0.003 sig.= 0.000
B    128 ALA O   . - B    156 SER CA  . mod.= 3.855 id.= 3.862 dev=  0.007 sig.= 0.000
B    128 ALA O   . - B    156 SER C   . mod.= 5.092 id.= 5.096 dev=  0.004 sig.= 0.000
B    128 ALA O   . - B    157 VAL N   . mod.= 5.182 id.= 5.187 dev=  0.005 sig.= 0.000
B    128 ALA O   . - B    157 VAL O   . mod.= 5.902 id.= 5.905 dev=  0.003 sig.= 0.000
B    129 GLU N   . - B    130 VAL N   . mod.= 2.767 id.= 2.764 dev= -0.003 sig.= 0.000
B    129 GLU N   . - B    130 VAL CA  . mod.= 4.178 id.= 4.175 dev= -0.003 sig.= 0.000
B    129 GLU N   . - B    130 VAL C   . mod.= 4.665 id.= 4.662 dev= -0.003 sig.= 0.000
B    129 GLU N   . - B    130 VAL O   . mod.= 4.488 id.= 4.483 dev= -0.006 sig.= 0.000
B    129 GLU N   . - B    131 ILE N   . mod.= 5.718 id.= 5.712 dev= -0.006 sig.= 0.000
B    129 GLU N   . - B    156 SER CA  . mod.= 5.337 id.= 5.329 dev= -0.008 sig.= 0.000
B    129 GLU CA  . - B    131 ILE N   . mod.= 5.736 id.= 5.734 dev= -0.002 sig.= 0.000
B    129 GLU CA  . - B    155 GLY C   . mod.= 5.611 id.= 5.603 dev= -0.008 sig.= 0.000
B    129 GLU CA  . - B    155 GLY O   . mod.= 5.026 id.= 5.024 dev= -0.003 sig.= 0.000
B    129 GLU CA  . - B    156 SER N   . mod.= 5.541 id.= 5.530 dev= -0.011 sig.= 0.000
B    129 GLU CA  . - B    156 SER CA  . mod.= 4.734 id.= 4.725 dev= -0.009 sig.= 0.000
B    129 GLU CA  . - B    156 SER C   . mod.= 5.564 id.= 5.562 dev= -0.002 sig.= 0.000
B    129 GLU C   . - B    131 ILE N   . mod.= 4.446 id.= 4.444 dev= -0.002 sig.= 0.000
B    129 GLU C   . - B    155 GLY C   . mod.= 5.618 id.= 5.615 dev= -0.003 sig.= 0.000
B    129 GLU C   . - B    156 SER N   . mod.= 5.352 id.= 5.346 dev= -0.006 sig.= 0.000
B    129 GLU C   . - B    156 SER CA  . mod.= 4.234 id.= 4.229 dev= -0.005 sig.= 0.000
B    129 GLU C   . - B    156 SER O   . mod.= 5.942 id.= 5.946 dev=  0.004 sig.= 0.000
B    129 GLU C   . - B    157 VAL N   . mod.= 4.051 id.= 4.053 dev=  0.002 sig.= 0.000
B    129 GLU C   . - B    157 VAL CA  . mod.= 5.020 id.= 5.023 dev=  0.003 sig.= 0.000
B    129 GLU C   . - B    157 VAL C   . mod.= 5.339 id.= 5.341 dev=  0.003 sig.= 0.000
B    129 GLU O   . - B    130 VAL O   . mod.= 4.761 id.= 4.764 dev=  0.004 sig.= 0.000
B    129 GLU O   . - B    156 SER N   . mod.= 4.649 id.= 4.646 dev= -0.003 sig.= 0.000
B    129 GLU O   . - B    156 SER CA  . mod.= 3.500 id.= 3.494 dev= -0.006 sig.= 0.000
B    129 GLU O   . - B    156 SER O   . mod.= 4.927 id.= 4.932 dev=  0.005 sig.= 0.000
B    129 GLU O   . - B    158 VAL N   . mod.= 5.816 id.= 5.819 dev=  0.003 sig.= 0.000
B    130 VAL N   . - B    130 VAL O   . mod.= 2.794 id.= 2.796 dev=  0.002 sig.= 0.000
B    130 VAL N   . - B    131 ILE N   . mod.= 3.543 id.= 3.538 dev= -0.005 sig.= 0.000
B    130 VAL N   . - B    131 ILE C   . mod.= 5.881 id.= 5.879 dev= -0.002 sig.= 0.000
B    130 VAL N   . - B    156 SER CA  . mod.= 5.092 id.= 5.082 dev= -0.010 sig.= 0.000
B    130 VAL N   . - B    156 SER C   . mod.= 5.453 id.= 5.448 dev= -0.004 sig.= 0.000
B    130 VAL N   . - B    157 VAL N   . mod.= 4.651 id.= 4.649 dev= -0.002 sig.= 0.000
B    130 VAL N   . - B    157 VAL O   . mod.= 4.474 id.= 4.471 dev= -0.002 sig.= 0.000
B    130 VAL CA  . - B    131 ILE CA  . mod.= 3.800 id.= 3.807 dev=  0.007 sig.= 0.000
B    130 VAL CA  . - B    132 ASN N   . mod.= 5.490 id.= 5.493 dev=  0.003 sig.= 0.000
B    130 VAL CA  . - B    156 SER CA  . mod.= 5.393 id.= 5.386 dev= -0.007 sig.= 0.000
B    130 VAL CA  . - B    233 ALA O   . mod.= 5.822 id.= 5.790 dev= -0.031 sig.= 0.000
B    130 VAL C   . - B    131 ILE O   . mod.= 4.064 id.= 4.061 dev= -0.003 sig.= 0.000
B    130 VAL C   . - B    132 ASN CA  . mod.= 5.544 id.= 5.538 dev= -0.006 sig.= 0.000
B    130 VAL O   . - B    131 ILE CA  . mod.= 2.794 id.= 2.796 dev=  0.002 sig.= 0.000
B    130 VAL O   . - B    131 ILE C   . mod.= 3.918 id.= 3.915 dev= -0.004 sig.= 0.000
B    130 VAL O   . - B    131 ILE O   . mod.= 4.760 id.= 4.758 dev= -0.002 sig.= 0.000
B    130 VAL O   . - B    132 ASN N   . mod.= 4.363 id.= 4.360 dev= -0.003 sig.= 0.000
B    130 VAL O   . - B    132 ASN CA  . mod.= 5.720 id.= 5.714 dev= -0.006 sig.= 0.000
B    130 VAL O   . - B    157 VAL C   . mod.= 5.971 id.= 5.975 dev=  0.004 sig.= 0.000
B    130 VAL O   . - B    157 VAL O   . mod.= 4.769 id.= 4.771 dev=  0.002 sig.= 0.000
B    131 ILE N   . - B    131 ILE O   . mod.= 2.869 id.= 2.865 dev= -0.004 sig.= 0.000
B    131 ILE N   . - B    132 ASN N   . mod.= 3.470 id.= 3.467 dev= -0.003 sig.= 0.000
B    131 ILE N   . - B    132 ASN CA  . mod.= 4.744 id.= 4.733 dev= -0.011 sig.= 0.000
B    131 ILE N   . - B    132 ASN C   . mod.= 5.821 id.= 5.816 dev= -0.005 sig.= 0.000
B    131 ILE N   . - B    157 VAL CA  . mod.= 5.023 id.= 5.026 dev=  0.002 sig.= 0.000
B    131 ILE N   . - B    158 VAL C   . mod.= 5.366 id.= 5.362 dev= -0.004 sig.= 0.000
B    131 ILE N   . - B    159 VAL N   . mod.= 5.004 id.= 4.999 dev= -0.005 sig.= 0.000
B    131 ILE CA  . - B    132 ASN C   . mod.= 4.653 id.= 4.650 dev= -0.003 sig.= 0.000
B    131 ILE CA  . - B    132 ASN O   . mod.= 4.985 id.= 4.988 dev=  0.003 sig.= 0.000
B    131 ILE CA  . - B    133 LEU N   . mod.= 5.480 id.= 5.483 dev=  0.002 sig.= 0.000
B    131 ILE CA  . - B    157 VAL N   . mod.= 5.963 id.= 5.960 dev= -0.003 sig.= 0.000
B    131 ILE CA  . - B    157 VAL C   . mod.= 4.904 id.= 4.909 dev=  0.004 sig.= 0.000
B    131 ILE CA  . - B    157 VAL O   . mod.= 3.773 id.= 3.776 dev=  0.003 sig.= 0.000
B    131 ILE CA  . - B    159 VAL N   . mod.= 4.982 id.= 4.988 dev=  0.005 sig.= 0.000
B    131 ILE CA  . - B    159 VAL O   . mod.= 5.533 id.= 5.539 dev=  0.006 sig.= 0.000
B    131 ILE C   . - B    132 ASN C   . mod.= 3.433 id.= 3.429 dev= -0.004 sig.= 0.000
B    131 ILE C   . - B    133 LEU CA  . mod.= 5.409 id.= 5.412 dev=  0.003 sig.= 0.000
B    131 ILE C   . - B    157 VAL C   . mod.= 5.155 id.= 5.158 dev=  0.003 sig.= 0.000
B    131 ILE C   . - B    158 VAL N   . mod.= 5.374 id.= 5.376 dev=  0.002 sig.= 0.000
B    131 ILE C   . - B    158 VAL CA  . mod.= 4.516 id.= 4.518 dev=  0.002 sig.= 0.000
B    131 ILE C   . - B    159 VAL CA  . mod.= 4.852 id.= 4.850 dev= -0.002 sig.= 0.000
B    131 ILE O   . - B    132 ASN CA  . mod.= 2.791 id.= 2.780 dev= -0.011 sig.= 0.000
B    131 ILE O   . - B    132 ASN C   . mod.= 3.774 id.= 3.771 dev= -0.003 sig.= 0.000
B    131 ILE O   . - B    132 ASN O   . mod.= 4.650 id.= 4.652 dev=  0.002 sig.= 0.000
B    131 ILE O   . - B    133 LEU CA  . mod.= 5.406 id.= 5.411 dev=  0.005 sig.= 0.000
B    131 ILE O   . - B    157 VAL CA  . mod.= 5.874 id.= 5.878 dev=  0.004 sig.= 0.000
B    131 ILE O   . - B    159 VAL CA  . mod.= 3.690 id.= 3.685 dev= -0.004 sig.= 0.000
B    131 ILE O   . - B    159 VAL C   . mod.= 3.926 id.= 3.923 dev= -0.002 sig.= 0.000
B    131 ILE O   . - B    160 ALA N   . mod.= 5.246 id.= 5.243 dev= -0.004 sig.= 0.000
B    132 ASN N   . - B    133 LEU N   . mod.= 3.481 id.= 3.485 dev=  0.004 sig.= 0.000
B    132 ASN N   . - B    159 VAL CA  . mod.= 5.398 id.= 5.396 dev= -0.002 sig.= 0.000
B    132 ASN CA  . - B    133 LEU O   . mod.= 4.957 id.= 4.953 dev= -0.003 sig.= 0.000
B    132 ASN CA  . - B    158 VAL C   . mod.= 5.934 id.= 5.924 dev= -0.010 sig.= 0.000
B    132 ASN CA  . - B    159 VAL N   . mod.= 4.756 id.= 4.749 dev= -0.007 sig.= 0.000
B    132 ASN CA  . - B    159 VAL CA  . mod.= 4.924 id.= 4.916 dev= -0.008 sig.= 0.000
B    132 ASN CA  . - B    159 VAL C   . mod.= 4.413 id.= 4.405 dev= -0.008 sig.= 0.000
B    132 ASN CA  . - B    159 VAL O   . mod.= 3.363 id.= 3.356 dev= -0.006 sig.= 0.000
B    132 ASN CA  . - B    160 ALA N   . mod.= 5.472 id.= 5.462 dev= -0.010 sig.= 0.000
B    132 ASN CA  . - B    160 ALA CA  . mod.= 5.666 id.= 5.660 dev= -0.006 sig.= 0.000
B    132 ASN C   . - B    133 LEU C   . mod.= 3.494 id.= 3.490 dev= -0.003 sig.= 0.000
B    132 ASN C   . - B    134 SER N   . mod.= 4.294 id.= 4.290 dev= -0.003 sig.= 0.000
B    132 ASN C   . - B    134 SER CA  . mod.= 5.583 id.= 5.586 dev=  0.003 sig.= 0.000
B    132 ASN C   . - B    159 VAL N   . mod.= 5.530 id.= 5.526 dev= -0.004 sig.= 0.000
B    132 ASN C   . - B    159 VAL C   . mod.= 4.814 id.= 4.811 dev= -0.002 sig.= 0.000
B    132 ASN C   . - B    159 VAL O   . mod.= 3.616 id.= 3.613 dev= -0.002 sig.= 0.000
B    132 ASN C   . - B    160 ALA N   . mod.= 5.666 id.= 5.663 dev= -0.003 sig.= 0.000
B    132 ASN O   . - B    133 LEU C   . mod.= 3.846 id.= 3.848 dev=  0.002 sig.= 0.000
B    132 ASN O   . - B    133 LEU O   . mod.= 4.664 id.= 4.666 dev=  0.002 sig.= 0.000
B    132 ASN O   . - B    134 SER CA  . mod.= 5.631 id.= 5.634 dev=  0.003 sig.= 0.000
B    133 LEU N   . - B    133 LEU O   . mod.= 2.884 id.= 2.892 dev=  0.007 sig.= 0.000
B    133 LEU N   . - B    134 SER CA  . mod.= 4.765 id.= 4.772 dev=  0.006 sig.= 0.000
B    133 LEU N   . - B    135 LEU N   . mod.= 5.698 id.= 5.693 dev= -0.004 sig.= 0.000
B    133 LEU N   . - B    160 ALA C   . mod.= 5.440 id.= 5.442 dev=  0.002 sig.= 0.000
B    133 LEU N   . - B    161 ALA N   . mod.= 5.406 id.= 5.412 dev=  0.006 sig.= 0.000
B    133 LEU CA  . - B    134 SER CA  . mod.= 3.787 id.= 3.798 dev=  0.011 sig.= 0.000
B    133 LEU CA  . - B    134 SER C   . mod.= 4.424 id.= 4.429 dev=  0.004 sig.= 0.000
B    133 LEU CA  . - B    134 SER O   . mod.= 5.203 id.= 5.206 dev=  0.003 sig.= 0.000
B    133 LEU CA  . - B    135 LEU N   . mod.= 4.492 id.= 4.496 dev=  0.004 sig.= 0.000
B    133 LEU CA  . - B    159 VAL O   . mod.= 3.897 id.= 3.899 dev=  0.002 sig.= 0.000
B    133 LEU CA  . - B    160 ALA N   . mod.= 5.350 id.= 5.354 dev=  0.003 sig.= 0.000
B    133 LEU CA  . - B    160 ALA CA  . mod.= 4.621 id.= 4.625 dev=  0.004 sig.= 0.000
B    133 LEU CA  . - B    160 ALA C   . mod.= 5.595 id.= 5.602 dev=  0.007 sig.= 0.000
B    133 LEU CA  . - B    161 ALA N   . mod.= 5.321 id.= 5.330 dev=  0.010 sig.= 0.000
B    133 LEU C   . - B    134 SER O   . mod.= 4.184 id.= 4.181 dev= -0.002 sig.= 0.000
B    133 LEU C   . - B    135 LEU N   . mod.= 3.361 id.= 3.359 dev= -0.002 sig.= 0.000
B    133 LEU C   . - B    135 LEU CA  . mod.= 4.635 id.= 4.628 dev= -0.007 sig.= 0.000
B    133 LEU C   . - B    135 LEU C   . mod.= 5.733 id.= 5.729 dev= -0.004 sig.= 0.000
B    133 LEU C   . - B    135 LEU O   . mod.= 5.751 id.= 5.748 dev= -0.003 sig.= 0.000
B    133 LEU C   . - B    159 VAL C   . mod.= 5.329 id.= 5.326 dev= -0.003 sig.= 0.000
B    133 LEU C   . - B    160 ALA N   . mod.= 5.368 id.= 5.366 dev= -0.002 sig.= 0.000
B    133 LEU C   . - B    161 ALA CA  . mod.= 5.370 id.= 5.374 dev=  0.003 sig.= 0.000
B    133 LEU C   . - B    161 ALA O   . mod.= 5.973 id.= 5.970 dev= -0.002 sig.= 0.000
B    133 LEU O   . - B    135 LEU N   . mod.= 3.374 id.= 3.378 dev=  0.004 sig.= 0.000
B    133 LEU O   . - B    159 VAL C   . mod.= 4.682 id.= 4.679 dev= -0.003 sig.= 0.000
B    133 LEU O   . - B    160 ALA N   . mod.= 4.491 id.= 4.488 dev= -0.003 sig.= 0.000
B    133 LEU O   . - B    160 ALA C   . mod.= 3.739 id.= 3.735 dev= -0.005 sig.= 0.000
B    133 LEU O   . - B    160 ALA O   . mod.= 4.983 id.= 4.980 dev= -0.003 sig.= 0.000
B    133 LEU O   . - B    161 ALA N   . mod.= 3.107 id.= 3.103 dev= -0.004 sig.= 0.000
B    133 LEU O   . - B    161 ALA CA  . mod.= 4.189 id.= 4.186 dev= -0.004 sig.= 0.000
B    133 LEU O   . - B    161 ALA C   . mod.= 5.117 id.= 5.111 dev= -0.005 sig.= 0.000
B    133 LEU O   . - B    161 ALA O   . mod.= 4.959 id.= 4.956 dev= -0.003 sig.= 0.000
B    134 SER N   . - B    135 LEU N   . mod.= 2.980 id.= 2.977 dev= -0.003 sig.= 0.000
B    134 SER N   . - B    135 LEU CA  . mod.= 4.286 id.= 4.281 dev= -0.005 sig.= 0.000
B    134 SER N   . - B    159 VAL O   . mod.= 5.742 id.= 5.740 dev= -0.002 sig.= 0.000
B    134 SER N   . - B    160 ALA CA  . mod.= 5.528 id.= 5.526 dev= -0.003 sig.= 0.000
B    134 SER N   . - B    160 ALA C   . mod.= 5.934 id.= 5.932 dev= -0.002 sig.= 0.000
B    134 SER CA  . - B    135 LEU CA  . mod.= 3.791 id.= 3.798 dev=  0.007 sig.= 0.000
B    134 SER CA  . - B    135 LEU C   . mod.= 4.414 id.= 4.420 dev=  0.007 sig.= 0.000
B    134 SER CA  . - B    135 LEU O   . mod.= 4.285 id.= 4.288 dev=  0.003 sig.= 0.000
B    134 SER CA  . - B    136 GLY N   . mod.= 5.534 id.= 5.540 dev=  0.006 sig.= 0.000
B    134 SER CA  . - B    160 ALA C   . mod.= 5.968 id.= 5.963 dev= -0.005 sig.= 0.000
B    134 SER CA  . - B    161 ALA N   . mod.= 4.905 id.= 4.900 dev= -0.005 sig.= 0.000
B    134 SER CA  . - B    161 ALA CA  . mod.= 5.357 id.= 5.352 dev= -0.005 sig.= 0.000
B    134 SER CA  . - B    161 ALA O   . mod.= 5.985 id.= 5.983 dev= -0.002 sig.= 0.000
B    134 SER CA  . - B    226 SER CA  . mod.= 5.430 id.= 5.440 dev=  0.010 sig.= 0.000
B    134 SER O   . - B    135 LEU O   . mod.= 3.704 id.= 3.701 dev= -0.002 sig.= 0.000
B    134 SER O   . - B    136 GLY CA  . mod.= 5.013 id.= 5.015 dev=  0.002 sig.= 0.000
B    135 LEU N   . - B    135 LEU O   . mod.= 2.656 id.= 2.652 dev= -0.003 sig.= 0.000
B    135 LEU N   . - B    136 GLY N   . mod.= 3.558 id.= 3.553 dev= -0.004 sig.= 0.000
B    135 LEU N   . - B    138 ASP N   . mod.= 5.900 id.= 5.903 dev=  0.002 sig.= 0.000
B    135 LEU N   . - B    160 ALA CA  . mod.= 5.647 id.= 5.645 dev= -0.002 sig.= 0.000
B    135 LEU N   . - B    160 ALA C   . mod.= 5.662 id.= 5.664 dev=  0.002 sig.= 0.000
B    135 LEU N   . - B    161 ALA N   . mod.= 4.668 id.= 4.671 dev=  0.003 sig.= 0.000
B    135 LEU N   . - B    161 ALA CA  . mod.= 5.081 id.= 5.085 dev=  0.004 sig.= 0.000
B    135 LEU CA  . - B    136 GLY CA  . mod.= 3.810 id.= 3.808 dev= -0.002 sig.= 0.000
B    135 LEU CA  . - B    136 GLY O   . mod.= 5.529 id.= 5.525 dev= -0.003 sig.= 0.000
B    135 LEU CA  . - B    138 ASP N   . mod.= 4.913 id.= 4.916 dev=  0.002 sig.= 0.000
B    135 LEU C   . - B    136 GLY C   . mod.= 3.179 id.= 3.181 dev=  0.002 sig.= 0.000
B    135 LEU C   . - B    137 CYS N   . mod.= 3.430 id.= 3.432 dev=  0.002 sig.= 0.000
B    135 LEU C   . - B    137 CYS C   . mod.= 5.128 id.= 5.130 dev=  0.002 sig.= 0.000
B    135 LEU C   . - B    138 ASP N   . mod.= 4.533 id.= 4.536 dev=  0.003 sig.= 0.000
B    135 LEU C   . - B    138 ASP CA  . mod.= 5.445 id.= 5.448 dev=  0.002 sig.= 0.000
B    135 LEU C   . - B    161 ALA CA  . mod.= 5.865 id.= 5.868 dev=  0.002 sig.= 0.000
B    135 LEU C   . - B    163 GLY CA  . mod.= 5.312 id.= 5.309 dev= -0.003 sig.= 0.000
B    135 LEU O   . - B    136 GLY C   . mod.= 3.222 id.= 3.225 dev=  0.003 sig.= 0.000
B    135 LEU O   . - B    161 ALA CA  . mod.= 4.992 id.= 4.995 dev=  0.003 sig.= 0.000
B    135 LEU O   . - B    162 ALA C   . mod.= 5.278 id.= 5.280 dev=  0.002 sig.= 0.000
B    135 LEU O   . - B    163 GLY CA  . mod.= 4.345 id.= 4.343 dev= -0.002 sig.= 0.000
B    135 LEU O   . - B    163 GLY C   . mod.= 5.670 id.= 5.667 dev= -0.003 sig.= 0.000
B    135 LEU O   . - B    164 ASN N   . mod.= 5.958 id.= 5.952 dev= -0.006 sig.= 0.000
B    136 GLY N   . - B    137 CYS N   . mod.= 2.844 id.= 2.846 dev=  0.003 sig.= 0.000
B    136 GLY N   . - B    137 CYS CA  . mod.= 4.273 id.= 4.276 dev=  0.002 sig.= 0.000
B    136 GLY N   . - B    161 ALA O   . mod.= 5.840 id.= 5.836 dev= -0.003 sig.= 0.000
B    136 GLY N   . - B    163 GLY CA  . mod.= 5.683 id.= 5.680 dev= -0.002 sig.= 0.000
B    136 GLY C   . - B    137 CYS C   . mod.= 3.666 id.= 3.663 dev= -0.003 sig.= 0.000
B    136 GLY C   . - B    137 CYS O   . mod.= 4.713 id.= 4.715 dev=  0.002 sig.= 0.000
B    136 GLY C   . - B    138 ASP N   . mod.= 3.948 id.= 3.946 dev= -0.002 sig.= 0.000
B    136 GLY C   . - B    139 CYS N   . mod.= 5.833 id.= 5.830 dev= -0.003 sig.= 0.000
B    136 GLY C   . - B    164 ASN O   . mod.= 5.937 id.= 5.935 dev= -0.002 sig.= 0.000
B    136 GLY O   . - B    137 CYS CA  . mod.= 2.710 id.= 2.708 dev= -0.003 sig.= 0.000
B    136 GLY O   . - B    137 CYS C   . mod.= 4.072 id.= 4.069 dev= -0.002 sig.= 0.000
B    136 GLY O   . - B    137 CYS O   . mod.= 4.905 id.= 4.908 dev=  0.004 sig.= 0.000
B    136 GLY O   . - B    162 ALA O   . mod.= 5.014 id.= 5.012 dev= -0.002 sig.= 0.000
B    136 GLY O   . - B    164 ASN O   . mod.= 4.748 id.= 4.746 dev= -0.003 sig.= 0.000
B    137 CYS N   . - B    137 CYS O   . mod.= 3.655 id.= 3.659 dev=  0.004 sig.= 0.000
B    137 CYS N   . - B    138 ASP C   . mod.= 4.909 id.= 4.914 dev=  0.004 sig.= 0.000
B    137 CYS N   . - B    139 CYS N   . mod.= 4.510 id.= 4.508 dev= -0.002 sig.= 0.000
B    137 CYS N   . - B    139 CYS CA  . mod.= 5.540 id.= 5.536 dev= -0.004 sig.= 0.000
B    137 CYS N   . - B    161 ALA O   . mod.= 5.570 id.= 5.568 dev= -0.002 sig.= 0.000
B    137 CYS N   . - B    163 GLY N   . mod.= 5.142 id.= 5.145 dev=  0.002 sig.= 0.000
B    137 CYS N   . - B    163 GLY CA  . mod.= 4.443 id.= 4.446 dev=  0.002 sig.= 0.000
B    137 CYS N   . - B    164 ASN N   . mod.= 5.937 id.= 5.941 dev=  0.003 sig.= 0.000
B    137 CYS CA  . - B    138 ASP CA  . mod.= 3.871 id.= 3.875 dev=  0.004 sig.= 0.000
B    137 CYS CA  . - B    138 ASP C   . mod.= 4.404 id.= 4.411 dev=  0.007 sig.= 0.000
B    137 CYS CA  . - B    161 ALA O   . mod.= 5.611 id.= 5.606 dev= -0.005 sig.= 0.000
B    137 CYS CA  . - B    162 ALA CA  . mod.= 5.861 id.= 5.856 dev= -0.005 sig.= 0.000
B    137 CYS CA  . - B    162 ALA C   . mod.= 4.614 id.= 4.610 dev= -0.004 sig.= 0.000
B    137 CYS CA  . - B    162 ALA O   . mod.= 3.869 id.= 3.866 dev= -0.004 sig.= 0.000
B    137 CYS CA  . - B    164 ASN N   . mod.= 5.645 id.= 5.647 dev=  0.002 sig.= 0.000
B    137 CYS CA  . - B    164 ASN O   . mod.= 5.882 id.= 5.884 dev=  0.003 sig.= 0.000
B    137 CYS C   . - B    138 ASP C   . mod.= 3.111 id.= 3.118 dev=  0.007 sig.= 0.000
B    137 CYS C   . - B    138 ASP O   . mod.= 3.982 id.= 3.985 dev=  0.003 sig.= 0.000
B    137 CYS C   . - B    139 CYS O   . mod.= 5.788 id.= 5.782 dev= -0.006 sig.= 0.000
B    137 CYS C   . - B    161 ALA O   . mod.= 4.942 id.= 4.939 dev= -0.004 sig.= 0.000
B    137 CYS C   . - B    162 ALA N   . mod.= 5.993 id.= 5.991 dev= -0.003 sig.= 0.000
B    137 CYS C   . - B    162 ALA CA  . mod.= 5.149 id.= 5.144 dev= -0.005 sig.= 0.000
B    137 CYS C   . - B    162 ALA C   . mod.= 4.169 id.= 4.166 dev= -0.003 sig.= 0.000
B    137 CYS C   . - B    162 ALA O   . mod.= 3.311 id.= 3.309 dev= -0.002 sig.= 0.000
B    137 CYS O   . - B    138 ASP CA  . mod.= 2.988 id.= 2.991 dev=  0.003 sig.= 0.000
B    137 CYS O   . - B    138 ASP O   . mod.= 3.718 id.= 3.714 dev= -0.004 sig.= 0.000
B    137 CYS O   . - B    161 ALA O   . mod.= 5.455 id.= 5.451 dev= -0.005 sig.= 0.000
B    137 CYS O   . - B    162 ALA CA  . mod.= 5.079 id.= 5.072 dev= -0.007 sig.= 0.000
B    137 CYS O   . - B    162 ALA C   . mod.= 4.167 id.= 4.164 dev= -0.003 sig.= 0.000
B    137 CYS O   . - B    163 GLY N   . mod.= 4.947 id.= 4.950 dev=  0.003 sig.= 0.000
B    137 CYS O   . - B    163 GLY CA  . mod.= 4.883 id.= 4.889 dev=  0.006 sig.= 0.000
B    137 CYS O   . - B    163 GLY C   . mod.= 5.837 id.= 5.843 dev=  0.006 sig.= 0.000
B    137 CYS O   . - B    175 SER N   . mod.= 5.667 id.= 5.670 dev=  0.003 sig.= 0.000
B    138 ASP N   . - B    138 ASP O   . mod.= 3.509 id.= 3.515 dev=  0.005 sig.= 0.000
B    138 ASP N   . - B    139 CYS O   . mod.= 5.060 id.= 5.056 dev= -0.003 sig.= 0.000
B    138 ASP N   . - B    161 ALA O   . mod.= 4.397 id.= 4.395 dev= -0.002 sig.= 0.000
B    138 ASP N   . - B    162 ALA CA  . mod.= 5.270 id.= 5.268 dev= -0.002 sig.= 0.000
B    138 ASP N   . - B    163 GLY N   . mod.= 5.120 id.= 5.122 dev=  0.002 sig.= 0.000
B    138 ASP N   . - B    163 GLY CA  . mod.= 5.148 id.= 5.150 dev=  0.002 sig.= 0.000
B    138 ASP CA  . - B    139 CYS CA  . mod.= 3.837 id.= 3.841 dev=  0.004 sig.= 0.000
B    138 ASP CA  . - B    139 CYS C   . mod.= 4.471 id.= 4.475 dev=  0.005 sig.= 0.000
B    138 ASP CA  . - B    161 ALA O   . mod.= 4.409 id.= 4.406 dev= -0.002 sig.= 0.000
B    138 ASP CA  . - B    162 ALA C   . mod.= 5.090 id.= 5.093 dev=  0.003 sig.= 0.000
B    138 ASP CA  . - B    162 ALA O   . mod.= 4.540 id.= 4.545 dev=  0.005 sig.= 0.000
B    138 ASP CA  . - B    163 GLY N   . mod.= 5.872 id.= 5.877 dev=  0.005 sig.= 0.000
B    138 ASP CA  . - B    175 SER N   . mod.= 4.901 id.= 4.922 dev=  0.020 sig.= 0.000
B    138 ASP C   . - B    139 CYS C   . mod.= 3.064 id.= 3.067 dev=  0.004 sig.= 0.000
B    138 ASP C   . - B    140 HIS CA  . mod.= 4.922 id.= 4.929 dev=  0.007 sig.= 0.000
B    138 ASP C   . - B    140 HIS C   . mod.= 5.996 id.= 5.999 dev=  0.003 sig.= 0.000
B    138 ASP C   . - B    162 ALA O   . mod.= 5.504 id.= 5.509 dev=  0.005 sig.= 0.000
B    138 ASP C   . - B    175 SER N   . mod.= 3.799 id.= 3.805 dev=  0.006 sig.= 0.000
B    138 ASP C   . - B    175 SER CA  . mod.= 4.425 id.= 4.414 dev= -0.011 sig.= 0.000
B    138 ASP C   . - B    175 SER C   . mod.= 5.268 id.= 5.273 dev=  0.005 sig.= 0.000
B    138 ASP C   . - B    175 SER O   . mod.= 5.569 id.= 5.575 dev=  0.006 sig.= 0.000
B    138 ASP O   . - B    139 CYS CA  . mod.= 2.828 id.= 2.824 dev= -0.004 sig.= 0.000
B    138 ASP O   . - B    139 CYS C   . mod.= 3.175 id.= 3.179 dev=  0.003 sig.= 0.000
B    138 ASP O   . - B    140 HIS CA  . mod.= 4.508 id.= 4.516 dev=  0.008 sig.= 0.000
B    138 ASP O   . - B    140 HIS C   . mod.= 5.795 id.= 5.798 dev=  0.004 sig.= 0.000
B    138 ASP O   . - B    162 ALA O   . mod.= 5.899 id.= 5.905 dev=  0.006 sig.= 0.000
B    138 ASP O   . - B    175 SER N   . mod.= 2.581 id.= 2.589 dev=  0.008 sig.= 0.000
B    138 ASP O   . - B    175 SER CA  . mod.= 3.245 id.= 3.238 dev= -0.006 sig.= 0.000
B    138 ASP O   . - B    175 SER C   . mod.= 4.172 id.= 4.177 dev=  0.005 sig.= 0.000
B    138 ASP O   . - B    175 SER O   . mod.= 4.493 id.= 4.501 dev=  0.008 sig.= 0.000
B    138 ASP O   . - B    176 TYR N   . mod.= 5.038 id.= 5.030 dev= -0.009 sig.= 0.000
B    139 CYS N   . - B    139 CYS O   . mod.= 2.672 id.= 2.665 dev= -0.008 sig.= 0.000
B    139 CYS N   . - B    140 HIS N   . mod.= 3.426 id.= 3.420 dev= -0.006 sig.= 0.000
B    139 CYS N   . - B    140 HIS CA  . mod.= 4.639 id.= 4.643 dev=  0.004 sig.= 0.000
B    139 CYS N   . - B    140 HIS O   . mod.= 5.802 id.= 5.807 dev=  0.004 sig.= 0.000
B    139 CYS N   . - B    175 SER CA  . mod.= 5.436 id.= 5.426 dev= -0.010 sig.= 0.000
B    139 CYS CA  . - B    140 HIS O   . mod.= 4.592 id.= 4.596 dev=  0.004 sig.= 0.000
B    139 CYS CA  . - B    175 SER N   . mod.= 4.443 id.= 4.436 dev= -0.007 sig.= 0.000
B    139 CYS CA  . - B    175 SER CA  . mod.= 5.595 id.= 5.584 dev= -0.011 sig.= 0.000
B    139 CYS C   . - B    141 THR CA  . mod.= 5.080 id.= 5.075 dev= -0.005 sig.= 0.000
B    139 CYS C   . - B    175 SER CA  . mod.= 5.398 id.= 5.396 dev= -0.002 sig.= 0.000
B    139 CYS C   . - B    175 SER C   . mod.= 5.640 id.= 5.646 dev=  0.007 sig.= 0.000
B    139 CYS C   . - B    175 SER O   . mod.= 5.274 id.= 5.279 dev=  0.005 sig.= 0.000
B    139 CYS O   . - B    140 HIS CA  . mod.= 2.821 id.= 2.825 dev=  0.004 sig.= 0.000
B    139 CYS O   . - B    140 HIS O   . mod.= 3.799 id.= 3.796 dev= -0.004 sig.= 0.000
B    139 CYS O   . - B    141 THR N   . mod.= 3.558 id.= 3.560 dev=  0.002 sig.= 0.000
B    139 CYS O   . - B    141 THR CA  . mod.= 4.668 id.= 4.664 dev= -0.004 sig.= 0.000
B    139 CYS O   . - B    141 THR C   . mod.= 5.697 id.= 5.690 dev= -0.007 sig.= 0.000
B    139 CYS O   . - B    141 THR O   . mod.= 5.574 id.= 5.571 dev= -0.003 sig.= 0.000
B    139 CYS O   . - B    175 SER CA  . mod.= 5.941 id.= 5.935 dev= -0.006 sig.= 0.000
B    139 CYS O   . - B    175 SER O   . mod.= 5.708 id.= 5.718 dev=  0.010 sig.= 0.000
B    140 HIS N   . - B    140 HIS O   . mod.= 2.878 id.= 2.873 dev= -0.004 sig.= 0.000
B    140 HIS N   . - B    141 THR N   . mod.= 3.514 id.= 3.511 dev= -0.003 sig.= 0.000
B    140 HIS N   . - B    141 THR CA  . mod.= 4.811 id.= 4.809 dev= -0.003 sig.= 0.000
B    140 HIS CA  . - B    141 THR C   . mod.= 4.586 id.= 4.591 dev=  0.005 sig.= 0.000
B    140 HIS CA  . - B    141 THR O   . mod.= 4.511 id.= 4.520 dev=  0.009 sig.= 0.000
B    140 HIS CA  . - B    142 THR N   . mod.= 5.724 id.= 5.727 dev=  0.003 sig.= 0.000
B    140 HIS CA  . - B    175 SER CA  . mod.= 5.242 id.= 5.244 dev=  0.002 sig.= 0.000
B    140 HIS CA  . - B    175 SER C   . mod.= 4.894 id.= 4.900 dev=  0.006 sig.= 0.000
B    140 HIS CA  . - B    176 TYR N   . mod.= 5.862 id.= 5.849 dev= -0.013 sig.= 0.000
B    140 HIS C   . - B    141 THR O   . mod.= 3.787 id.= 3.790 dev=  0.003 sig.= 0.000
B    140 HIS C   . - B    142 THR CA  . mod.= 5.799 id.= 5.803 dev=  0.004 sig.= 0.000
B    140 HIS C   . - B    175 SER N   . mod.= 5.827 id.= 5.824 dev= -0.003 sig.= 0.000
B    140 HIS C   . - B    175 SER O   . mod.= 5.482 id.= 5.480 dev= -0.002 sig.= 0.000
B    141 THR N   . - B    141 THR O   . mod.= 2.547 id.= 2.545 dev= -0.003 sig.= 0.000
B    141 THR N   . - B    142 THR N   . mod.= 3.514 id.= 3.510 dev= -0.003 sig.= 0.000
B    141 THR N   . - B    144 LEU CA  . mod.= 5.650 id.= 5.657 dev=  0.008 sig.= 0.000
B    141 THR N   . - B    175 SER O   . mod.= 5.941 id.= 5.938 dev= -0.003 sig.= 0.000
B    141 THR CA  . - B    143 THR N   . mod.= 4.396 id.= 4.393 dev= -0.003 sig.= 0.000
B    141 THR CA  . - B    143 THR CA  . mod.= 5.531 id.= 5.529 dev= -0.003 sig.= 0.000
B    141 THR CA  . - B    144 LEU N   . mod.= 4.819 id.= 4.821 dev=  0.002 sig.= 0.000
B    141 THR CA  . - B    144 LEU CA  . mod.= 5.523 id.= 5.531 dev=  0.008 sig.= 0.000
B    141 THR CA  . - B    144 LEU C   . mod.= 5.957 id.= 5.961 dev=  0.004 sig.= 0.000
B    141 THR CA  . - B    145 GLU N   . mod.= 5.306 id.= 5.310 dev=  0.004 sig.= 0.000
B    141 THR C   . - B    143 THR CA  . mod.= 4.551 id.= 4.548 dev= -0.002 sig.= 0.000
B    141 THR O   . - B    142 THR CA  . mod.= 2.859 id.= 2.862 dev=  0.003 sig.= 0.000
B    141 THR O   . - B    142 THR C   . mod.= 3.179 id.= 3.181 dev=  0.003 sig.= 0.000
B    141 THR O   . - B    144 LEU CA  . mod.= 4.064 id.= 4.066 dev=  0.002 sig.= 0.000
B    142 THR N   . - B    142 THR O   . mod.= 3.536 id.= 3.534 dev= -0.002 sig.= 0.000
B    142 THR CA  . - B    143 THR CA  . mod.= 3.831 id.= 3.834 dev=  0.003 sig.= 0.000
B    142 THR CA  . - B    143 THR C   . mod.= 4.553 id.= 4.555 dev=  0.002 sig.= 0.000
B    142 THR CA  . - B    145 GLU C   . mod.= 5.613 id.= 5.610 dev= -0.003 sig.= 0.000
B    142 THR CA  . - B    146 ASN N   . mod.= 5.168 id.= 5.165 dev= -0.003 sig.= 0.000
B    142 THR C   . - B    143 THR C   . mod.= 3.171 id.= 3.173 dev=  0.002 sig.= 0.000
B    142 THR C   . - B    143 THR O   . mod.= 4.000 id.= 3.998 dev= -0.002 sig.= 0.000
B    142 THR C   . - B    145 GLU CA  . mod.= 4.460 id.= 4.462 dev=  0.002 sig.= 0.000
B    142 THR C   . - B    146 ASN CA  . mod.= 5.064 id.= 5.060 dev= -0.004 sig.= 0.000
B    142 THR O   . - B    143 THR CA  . mod.= 2.798 id.= 2.802 dev=  0.004 sig.= 0.000
B    142 THR O   . - B    143 THR C   . mod.= 3.161 id.= 3.163 dev=  0.003 sig.= 0.000
B    142 THR O   . - B    143 THR O   . mod.= 3.641 id.= 3.638 dev= -0.002 sig.= 0.000
B    142 THR O   . - B    146 ASN CA  . mod.= 3.864 id.= 3.861 dev= -0.003 sig.= 0.000
B    143 THR N   . - B    144 LEU CA  . mod.= 4.233 id.= 4.230 dev= -0.003 sig.= 0.000
B    143 THR CA  . - B    144 LEU CA  . mod.= 3.784 id.= 3.776 dev= -0.009 sig.= 0.000
B    143 THR CA  . - B    144 LEU O   . mod.= 5.358 id.= 5.355 dev= -0.004 sig.= 0.000
B    143 THR C   . - B    144 LEU C   . mod.= 3.120 id.= 3.122 dev=  0.002 sig.= 0.000
B    143 THR C   . - B    145 GLU C   . mod.= 4.746 id.= 4.749 dev=  0.002 sig.= 0.000
B    143 THR C   . - B    145 GLU O   . mod.= 5.825 id.= 5.827 dev=  0.002 sig.= 0.000
B    143 THR O   . - B    144 LEU CA  . mod.= 2.761 id.= 2.759 dev= -0.002 sig.= 0.000
B    143 THR O   . - B    144 LEU C   . mod.= 3.181 id.= 3.186 dev=  0.005 sig.= 0.000
B    143 THR O   . - B    146 ASN N   . mod.= 3.607 id.= 3.603 dev= -0.003 sig.= 0.000
B    143 THR O   . - B    146 ASN C   . mod.= 4.058 id.= 4.056 dev= -0.002 sig.= 0.000
B    144 LEU CA  . - B    145 GLU C   . mod.= 4.471 id.= 4.473 dev=  0.003 sig.= 0.000
B    144 LEU CA  . - B    147 ALA N   . mod.= 4.440 id.= 4.437 dev= -0.003 sig.= 0.000
B    144 LEU CA  . - B    147 ALA CA  . mod.= 4.974 id.= 4.971 dev= -0.003 sig.= 0.000
B    144 LEU CA  . - B    148 VAL CA  . mod.= 5.912 id.= 5.915 dev=  0.003 sig.= 0.000
B    144 LEU C   . - B    146 ASN C   . mod.= 4.570 id.= 4.572 dev=  0.003 sig.= 0.000
B    144 LEU C   . - B    146 ASN O   . mod.= 5.655 id.= 5.658 dev=  0.003 sig.= 0.000
B    144 LEU C   . - B    147 ALA N   . mod.= 3.762 id.= 3.764 dev=  0.002 sig.= 0.000
B    144 LEU O   . - B    145 GLU C   . mod.= 3.139 id.= 3.142 dev=  0.003 sig.= 0.000
B    144 LEU O   . - B    147 ALA CA  . mod.= 3.693 id.= 3.691 dev= -0.003 sig.= 0.000
B    144 LEU O   . - B    148 VAL C   . mod.= 4.783 id.= 4.785 dev=  0.003 sig.= 0.000
B    145 GLU N   . - B    148 VAL CA  . mod.= 5.498 id.= 5.501 dev=  0.003 sig.= 0.000
B    145 GLU CA  . - B    147 ALA CA  . mod.= 5.517 id.= 5.514 dev= -0.003 sig.= 0.000
B    145 GLU CA  . - B    147 ALA C   . mod.= 5.638 id.= 5.636 dev= -0.002 sig.= 0.000
B    145 GLU C   . - B    148 VAL CA  . mod.= 4.724 id.= 4.727 dev=  0.003 sig.= 0.000
B    145 GLU O   . - B    146 ASN C   . mod.= 3.175 id.= 3.177 dev=  0.002 sig.= 0.000
B    145 GLU O   . - B    147 ALA CA  . mod.= 4.615 id.= 4.612 dev= -0.003 sig.= 0.000
B    145 GLU O   . - B    147 ALA C   . mod.= 4.420 id.= 4.418 dev= -0.002 sig.= 0.000
B    145 GLU O   . - B    147 ALA O   . mod.= 5.293 id.= 5.291 dev= -0.002 sig.= 0.000
B    145 GLU O   . - B    148 VAL N   . mod.= 3.669 id.= 3.667 dev= -0.002 sig.= 0.000
B    145 GLU O   . - B    148 VAL C   . mod.= 3.957 id.= 3.953 dev= -0.004 sig.= 0.000
B    145 GLU O   . - B    148 VAL O   . mod.= 5.131 id.= 5.128 dev= -0.003 sig.= 0.000
B    146 ASN N   . - B    147 ALA N   . mod.= 2.808 id.= 2.805 dev= -0.002 sig.= 0.000
B    146 ASN N   . - B    147 ALA CA  . mod.= 4.235 id.= 4.231 dev= -0.004 sig.= 0.000
B    146 ASN CA  . - B    147 ALA C   . mod.= 4.530 id.= 4.534 dev=  0.003 sig.= 0.000
B    146 ASN CA  . - B    150 TYR N   . mod.= 5.132 id.= 5.134 dev=  0.002 sig.= 0.000
B    146 ASN O   . - B    147 ALA C   . mod.= 3.197 id.= 3.200 dev=  0.003 sig.= 0.000
B    146 ASN O   . - B    149 ASN CA  . mod.= 4.054 id.= 4.050 dev= -0.004 sig.= 0.000
B    146 ASN O   . - B    149 ASN C   . mod.= 3.947 id.= 3.944 dev= -0.003 sig.= 0.000
B    146 ASN O   . - B    150 TYR C   . mod.= 5.027 id.= 5.030 dev=  0.003 sig.= 0.000
B    147 ALA CA  . - B    148 VAL CA  . mod.= 3.837 id.= 3.835 dev= -0.003 sig.= 0.000
B    147 ALA CA  . - B    148 VAL C   . mod.= 4.500 id.= 4.503 dev=  0.003 sig.= 0.000
B    147 ALA C   . - B    148 VAL O   . mod.= 3.906 id.= 3.904 dev= -0.002 sig.= 0.000
B    147 ALA O   . - B    148 VAL CA  . mod.= 2.905 id.= 2.901 dev= -0.004 sig.= 0.000
B    147 ALA O   . - B    148 VAL C   . mod.= 3.171 id.= 3.174 dev=  0.003 sig.= 0.000
B    147 ALA O   . - B    150 TYR N   . mod.= 3.335 id.= 3.333 dev= -0.003 sig.= 0.000
B    147 ALA O   . - B    150 TYR CA  . mod.= 3.704 id.= 3.701 dev= -0.002 sig.= 0.000
B    147 ALA O   . - B    150 TYR C   . mod.= 3.814 id.= 3.811 dev= -0.003 sig.= 0.000
B    147 ALA O   . - B    151 ALA C   . mod.= 5.048 id.= 5.051 dev=  0.002 sig.= 0.000
B    147 ALA O   . - B    152 TRP N   . mod.= 5.081 id.= 5.083 dev=  0.002 sig.= 0.000
B    148 VAL N   . - B    149 ASN CA  . mod.= 4.235 id.= 4.237 dev=  0.002 sig.= 0.000
B    148 VAL CA  . - B    149 ASN CA  . mod.= 3.825 id.= 3.831 dev=  0.005 sig.= 0.000
B    148 VAL CA  . - B    149 ASN C   . mod.= 4.516 id.= 4.519 dev=  0.003 sig.= 0.000
B    148 VAL CA  . - B    150 TYR C   . mod.= 5.490 id.= 5.487 dev= -0.004 sig.= 0.000
B    148 VAL CA  . - B    151 ALA N   . mod.= 4.527 id.= 4.523 dev= -0.003 sig.= 0.000
B    148 VAL C   . - B    149 ASN C   . mod.= 3.154 id.= 3.156 dev=  0.002 sig.= 0.000
B    148 VAL C   . - B    150 TYR CA  . mod.= 4.514 id.= 4.517 dev=  0.003 sig.= 0.000
B    148 VAL C   . - B    151 ALA CA  . mod.= 4.431 id.= 4.434 dev=  0.003 sig.= 0.000
B    148 VAL C   . - B    151 ALA C   . mod.= 4.684 id.= 4.687 dev=  0.002 sig.= 0.000
B    148 VAL C   . - B    151 ALA O   . mod.= 5.894 id.= 5.897 dev=  0.003 sig.= 0.000
B    148 VAL O   . - B    149 ASN CA  . mod.= 2.814 id.= 2.818 dev=  0.004 sig.= 0.000
B    148 VAL O   . - B    149 ASN C   . mod.= 3.153 id.= 3.156 dev=  0.003 sig.= 0.000
B    148 VAL O   . - B    151 ALA O   . mod.= 4.740 id.= 4.742 dev=  0.002 sig.= 0.000
B    148 VAL O   . - B    153 ASN N   . mod.= 4.862 id.= 4.864 dev=  0.002 sig.= 0.000
B    148 VAL O   . - B    156 SER O   . mod.= 5.972 id.= 5.967 dev= -0.005 sig.= 0.000
B    148 VAL O   . - B    178 ASN C   . mod.= 5.923 id.= 5.915 dev= -0.007 sig.= 0.000
B    148 VAL O   . - B    178 ASN O   . mod.= 5.310 id.= 5.316 dev=  0.006 sig.= 0.000
B    149 ASN N   . - B    150 TYR CA  . mod.= 4.185 id.= 4.188 dev=  0.002 sig.= 0.000
B    149 ASN CA  . - B    151 ALA C   . mod.= 5.323 id.= 5.326 dev=  0.003 sig.= 0.000
B    149 ASN C   . - B    151 ALA C   . mod.= 4.585 id.= 4.587 dev=  0.003 sig.= 0.000
B    149 ASN C   . - B    151 ALA O   . mod.= 5.679 id.= 5.681 dev=  0.002 sig.= 0.000
B    149 ASN O   . - B    150 TYR C   . mod.= 3.106 id.= 3.109 dev=  0.003 sig.= 0.000
B    149 ASN O   . - B    152 TRP C   . mod.= 3.830 id.= 3.828 dev= -0.002 sig.= 0.000
B    149 ASN O   . - B    152 TRP O   . mod.= 5.020 id.= 5.017 dev= -0.003 sig.= 0.000
B    149 ASN O   . - B    153 ASN N   . mod.= 2.908 id.= 2.906 dev= -0.003 sig.= 0.000
B    149 ASN O   . - B    153 ASN O   . mod.= 5.942 id.= 5.944 dev=  0.003 sig.= 0.000
B    150 TYR CA  . - B    151 ALA C   . mod.= 4.527 id.= 4.529 dev=  0.002 sig.= 0.000
B    150 TYR CA  . - B    152 TRP CA  . mod.= 5.533 id.= 5.535 dev=  0.002 sig.= 0.000
B    150 TYR CA  . - B    154 LYS N   . mod.= 5.388 id.= 5.392 dev=  0.004 sig.= 0.000
B    150 TYR C   . - B    153 ASN O   . mod.= 6.003 id.= 5.999 dev= -0.004 sig.= 0.000
B    150 TYR C   . - B    154 LYS N   . mod.= 4.256 id.= 4.259 dev=  0.004 sig.= 0.000
B    150 TYR O   . - B    151 ALA CA  . mod.= 2.841 id.= 2.838 dev= -0.003 sig.= 0.000
B    150 TYR O   . - B    153 ASN N   . mod.= 3.410 id.= 3.406 dev= -0.004 sig.= 0.000
B    150 TYR O   . - B    153 ASN CA  . mod.= 3.785 id.= 3.783 dev= -0.002 sig.= 0.000
B    150 TYR O   . - B    153 ASN C   . mod.= 3.813 id.= 3.811 dev= -0.002 sig.= 0.000
B    150 TYR O   . - B    153 ASN O   . mod.= 4.907 id.= 4.899 dev= -0.008 sig.= 0.000
B    150 TYR O   . - B    154 LYS N   . mod.= 3.159 id.= 3.162 dev=  0.003 sig.= 0.000
B    150 TYR O   . - B    154 LYS C   . mod.= 5.153 id.= 5.161 dev=  0.007 sig.= 0.000
B    150 TYR O   . - B    155 GLY N   . mod.= 5.395 id.= 5.398 dev=  0.003 sig.= 0.000
B    151 ALA N   . - B    151 ALA O   . mod.= 3.553 id.= 3.555 dev=  0.002 sig.= 0.000
B    151 ALA N   . - B    152 TRP CA  . mod.= 4.242 id.= 4.244 dev=  0.002 sig.= 0.000
B    151 ALA N   . - B    154 LYS N   . mod.= 4.848 id.= 4.850 dev=  0.002 sig.= 0.000
B    151 ALA N   . - B    154 LYS CA  . mod.= 5.654 id.= 5.656 dev=  0.003 sig.= 0.000
B    151 ALA CA  . - B    152 TRP CA  . mod.= 3.844 id.= 3.849 dev=  0.004 sig.= 0.000
B    151 ALA CA  . - B    153 ASN C   . mod.= 5.527 id.= 5.524 dev= -0.003 sig.= 0.000
B    151 ALA CA  . - B    154 LYS C   . mod.= 5.598 id.= 5.602 dev=  0.004 sig.= 0.000
B    151 ALA CA  . - B    155 GLY N   . mod.= 5.522 id.= 5.525 dev=  0.003 sig.= 0.000
B    151 ALA CA  . - B    156 SER N   . mod.= 5.259 id.= 5.262 dev=  0.003 sig.= 0.000
B    151 ALA CA  . - B    156 SER CA  . mod.= 5.599 id.= 5.604 dev=  0.005 sig.= 0.000
B    151 ALA C   . - B    153 ASN N   . mod.= 3.346 id.= 3.349 dev=  0.003 sig.= 0.000
B    151 ALA C   . - B    153 ASN O   . mod.= 5.872 id.= 5.866 dev= -0.006 sig.= 0.000
B    151 ALA C   . - B    154 LYS O   . mod.= 5.703 id.= 5.727 dev=  0.024 sig.= 0.000
B    151 ALA C   . - B    156 SER N   . mod.= 4.117 id.= 4.114 dev= -0.003 sig.= 0.000
B    151 ALA C   . - B    156 SER C   . mod.= 4.904 id.= 4.902 dev= -0.002 sig.= 0.000
B    151 ALA O   . - B    152 TRP CA  . mod.= 2.853 id.= 2.859 dev=  0.006 sig.= 0.000
B    151 ALA O   . - B    152 TRP C   . mod.= 3.140 id.= 3.143 dev=  0.003 sig.= 0.000
B    151 ALA O   . - B    152 TRP O   . mod.= 3.539 id.= 3.542 dev=  0.002 sig.= 0.000
B    151 ALA O   . - B    153 ASN N   . mod.= 3.605 id.= 3.607 dev=  0.003 sig.= 0.000
B    151 ALA O   . - B    153 ASN C   . mod.= 4.399 id.= 4.396 dev= -0.002 sig.= 0.000
B    151 ALA O   . - B    153 ASN O   . mod.= 5.456 id.= 5.447 dev= -0.009 sig.= 0.000
B    151 ALA O   . - B    154 LYS N   . mod.= 3.378 id.= 3.375 dev= -0.003 sig.= 0.000
B    151 ALA O   . - B    154 LYS O   . mod.= 4.595 id.= 4.616 dev=  0.021 sig.= 0.000
B    151 ALA O   . - B    155 GLY CA  . mod.= 4.154 id.= 4.157 dev=  0.003 sig.= 0.000
B    151 ALA O   . - B    155 GLY C   . mod.= 4.017 id.= 4.020 dev=  0.003 sig.= 0.000
B    151 ALA O   . - B    155 GLY O   . mod.= 5.168 id.= 5.170 dev=  0.002 sig.= 0.000
B    151 ALA O   . - B    156 SER O   . mod.= 3.915 id.= 3.917 dev=  0.002 sig.= 0.000
B    151 ALA O   . - B    157 VAL N   . mod.= 5.522 id.= 5.518 dev= -0.004 sig.= 0.000
B    152 TRP N   . - B    152 TRP O   . mod.= 3.486 id.= 3.484 dev= -0.002 sig.= 0.000
B    152 TRP N   . - B    153 ASN O   . mod.= 5.953 id.= 5.951 dev= -0.002 sig.= 0.000
B    152 TRP N   . - B    154 LYS C   . mod.= 5.501 id.= 5.503 dev=  0.002 sig.= 0.000
B    152 TRP N   . - B    156 SER N   . mod.= 4.746 id.= 4.743 dev= -0.003 sig.= 0.000
B    152 TRP CA  . - B    153 ASN C   . mod.= 4.566 id.= 4.568 dev=  0.003 sig.= 0.000
B    152 TRP CA  . - B    153 ASN O   . mod.= 5.637 id.= 5.639 dev=  0.002 sig.= 0.000
B    152 TRP CA  . - B    155 GLY CA  . mod.= 5.185 id.= 5.181 dev= -0.003 sig.= 0.000
B    152 TRP CA  . - B    155 GLY C   . mod.= 5.154 id.= 5.152 dev= -0.003 sig.= 0.000
B    152 TRP CA  . - B    156 SER N   . mod.= 4.479 id.= 4.475 dev= -0.004 sig.= 0.000
B    152 TRP CA  . - B    156 SER C   . mod.= 4.727 id.= 4.730 dev=  0.003 sig.= 0.000
B    152 TRP CA  . - B    156 SER O   . mod.= 3.698 id.= 3.700 dev=  0.002 sig.= 0.000
B    152 TRP CA  . - B    157 VAL N   . mod.= 5.908 id.= 5.912 dev=  0.004 sig.= 0.000
B    152 TRP CA  . - B    178 ASN O   . mod.= 5.982 id.= 5.997 dev=  0.015 sig.= 0.000
B    152 TRP C   . - B    153 ASN C   . mod.= 3.195 id.= 3.198 dev=  0.003 sig.= 0.000
B    152 TRP C   . - B    153 ASN O   . mod.= 4.183 id.= 4.187 dev=  0.004 sig.= 0.000
B    152 TRP C   . - B    154 LYS O   . mod.= 5.757 id.= 5.760 dev=  0.003 sig.= 0.000
B    152 TRP C   . - B    155 GLY CA  . mod.= 4.528 id.= 4.525 dev= -0.004 sig.= 0.000
B    152 TRP C   . - B    155 GLY C   . mod.= 4.942 id.= 4.938 dev= -0.004 sig.= 0.000
B    152 TRP C   . - B    156 SER N   . mod.= 4.587 id.= 4.581 dev= -0.006 sig.= 0.000
B    152 TRP C   . - B    156 SER CA  . mod.= 5.534 id.= 5.531 dev= -0.003 sig.= 0.000
B    152 TRP C   . - B    156 SER C   . mod.= 5.444 id.= 5.448 dev=  0.004 sig.= 0.000
B    152 TRP C   . - B    156 SER O   . mod.= 4.504 id.= 4.509 dev=  0.005 sig.= 0.000
B    152 TRP O   . - B    153 ASN CA  . mod.= 2.836 id.= 2.839 dev=  0.002 sig.= 0.000
B    152 TRP O   . - B    153 ASN C   . mod.= 3.195 id.= 3.199 dev=  0.005 sig.= 0.000
B    152 TRP O   . - B    153 ASN O   . mod.= 3.908 id.= 3.914 dev=  0.006 sig.= 0.000
B    152 TRP O   . - B    154 LYS O   . mod.= 5.211 id.= 5.206 dev= -0.005 sig.= 0.000
B    152 TRP O   . - B    155 GLY CA  . mod.= 3.596 id.= 3.591 dev= -0.005 sig.= 0.000
B    152 TRP O   . - B    155 GLY C   . mod.= 4.152 id.= 4.147 dev= -0.005 sig.= 0.000
B    152 TRP O   . - B    156 SER N   . mod.= 4.113 id.= 4.107 dev= -0.007 sig.= 0.000
B    152 TRP O   . - B    156 SER CA  . mod.= 5.201 id.= 5.197 dev= -0.004 sig.= 0.000
B    152 TRP O   . - B    156 SER C   . mod.= 5.144 id.= 5.149 dev=  0.005 sig.= 0.000
B    152 TRP O   . - B    156 SER O   . mod.= 4.285 id.= 4.292 dev=  0.006 sig.= 0.000
B    153 ASN N   . - B    154 LYS CA  . mod.= 4.204 id.= 4.200 dev= -0.004 sig.= 0.000
B    153 ASN N   . - B    154 LYS O   . mod.= 5.988 id.= 5.994 dev=  0.006 sig.= 0.000
B    153 ASN N   . - B    156 SER N   . mod.= 5.565 id.= 5.562 dev= -0.003 sig.= 0.000
B    153 ASN N   . - B    156 SER O   . mod.= 5.747 id.= 5.755 dev=  0.008 sig.= 0.000
B    153 ASN CA  . - B    154 LYS CA  . mod.= 3.824 id.= 3.818 dev= -0.006 sig.= 0.000
B    153 ASN C   . - B    154 LYS O   . mod.= 4.446 id.= 4.444 dev= -0.002 sig.= 0.000
B    153 ASN C   . - B    156 SER N   . mod.= 5.795 id.= 5.789 dev= -0.006 sig.= 0.000
B    153 ASN O   . - B    154 LYS CA  . mod.= 2.820 id.= 2.799 dev= -0.022 sig.= 0.000
B    153 ASN O   . - B    154 LYS C   . mod.= 3.564 id.= 3.553 dev= -0.011 sig.= 0.000
B    153 ASN O   . - B    154 LYS O   . mod.= 4.494 id.= 4.471 dev= -0.023 sig.= 0.000
B    153 ASN O   . - B    155 GLY N   . mod.= 3.688 id.= 3.680 dev= -0.008 sig.= 0.000
B    153 ASN O   . - B    155 GLY CA  . mod.= 4.860 id.= 4.857 dev= -0.003 sig.= 0.000
B    154 LYS N   . - B    154 LYS O   . mod.= 3.607 id.= 3.617 dev=  0.011 sig.= 0.000
B    154 LYS N   . - B    155 GLY CA  . mod.= 4.158 id.= 4.160 dev=  0.002 sig.= 0.000
B    154 LYS N   . - B    156 SER N   . mod.= 4.950 id.= 4.944 dev= -0.006 sig.= 0.000
B    154 LYS CA  . - B    155 GLY CA  . mod.= 3.827 id.= 3.837 dev=  0.010 sig.= 0.000
B    154 LYS CA  . - B    155 GLY C   . mod.= 4.871 id.= 4.877 dev=  0.005 sig.= 0.000
B    154 LYS C   . - B    155 GLY C   . mod.= 3.522 id.= 3.519 dev= -0.003 sig.= 0.000
B    154 LYS C   . - B    155 GLY O   . mod.= 4.598 id.= 4.596 dev= -0.002 sig.= 0.000
B    154 LYS C   . - B    156 SER N   . mod.= 3.704 id.= 3.698 dev= -0.006 sig.= 0.000
B    154 LYS C   . - B    156 SER CA  . mod.= 5.081 id.= 5.073 dev= -0.008 sig.= 0.000
B    154 LYS O   . - B    155 GLY CA  . mod.= 2.785 id.= 2.773 dev= -0.012 sig.= 0.000
B    154 LYS O   . - B    155 GLY C   . mod.= 3.731 id.= 3.724 dev= -0.007 sig.= 0.000
B    154 LYS O   . - B    155 GLY O   . mod.= 4.620 id.= 4.608 dev= -0.013 sig.= 0.000
B    154 LYS O   . - B    156 SER N   . mod.= 4.058 id.= 4.061 dev=  0.003 sig.= 0.000
B    154 LYS O   . - B    156 SER CA  . mod.= 5.327 id.= 5.330 dev=  0.003 sig.= 0.000
B    155 GLY N   . - B    156 SER N   . mod.= 2.891 id.= 2.886 dev= -0.005 sig.= 0.000
B    155 GLY N   . - B    156 SER CA  . mod.= 4.337 id.= 4.332 dev= -0.005 sig.= 0.000
B    155 GLY N   . - B    156 SER O   . mod.= 4.945 id.= 4.949 dev=  0.004 sig.= 0.000
B    155 GLY CA  . - B    156 SER CA  . mod.= 3.806 id.= 3.800 dev= -0.006 sig.= 0.000
B    155 GLY CA  . - B    157 VAL N   . mod.= 5.636 id.= 5.632 dev= -0.004 sig.= 0.000
B    155 GLY CA  . - B    246 ASN N   . mod.= 5.554 id.= 5.551 dev= -0.003 sig.= 0.000
B    155 GLY C   . - B    156 SER O   . mod.= 3.497 id.= 3.499 dev=  0.002 sig.= 0.000
B    155 GLY C   . - B    157 VAL N   . mod.= 4.194 id.= 4.192 dev= -0.002 sig.= 0.000
B    155 GLY C   . - B    157 VAL CA  . mod.= 5.410 id.= 5.413 dev=  0.002 sig.= 0.000
B    155 GLY C   . - B    246 ASN N   . mod.= 5.166 id.= 5.163 dev= -0.003 sig.= 0.000
B    155 GLY O   . - B    156 SER CA  . mod.= 2.756 id.= 2.750 dev= -0.006 sig.= 0.000
B    155 GLY O   . - B    156 SER O   . mod.= 3.814 id.= 3.817 dev=  0.002 sig.= 0.000
B    155 GLY O   . - B    157 VAL N   . mod.= 3.958 id.= 3.956 dev= -0.003 sig.= 0.000
B    155 GLY O   . - B    245 ASN CA  . mod.= 5.746 id.= 5.743 dev= -0.003 sig.= 0.000
B    155 GLY O   . - B    245 ASN C   . mod.= 5.303 id.= 5.299 dev= -0.004 sig.= 0.000
B    155 GLY O   . - B    246 ASN C   . mod.= 5.770 id.= 5.774 dev=  0.003 sig.= 0.000
B    156 SER N   . - B    157 VAL N   . mod.= 3.621 id.= 3.616 dev= -0.004 sig.= 0.000
B    156 SER N   . - B    157 VAL CA  . mod.= 4.899 id.= 4.901 dev=  0.002 sig.= 0.000
B    156 SER N   . - B    157 VAL O   . mod.= 5.843 id.= 5.840 dev= -0.003 sig.= 0.000
B    156 SER CA  . - B    157 VAL CA  . mod.= 3.811 id.= 3.807 dev= -0.004 sig.= 0.000
B    156 SER CA  . - B    157 VAL O   . mod.= 4.470 id.= 4.466 dev= -0.004 sig.= 0.000
B    156 SER CA  . - B    158 VAL N   . mod.= 5.251 id.= 5.247 dev= -0.004 sig.= 0.000
B    156 SER CA  . - B    246 ASN CA  . mod.= 5.881 id.= 5.873 dev= -0.008 sig.= 0.000
B    156 SER C   . - B    157 VAL C   . mod.= 3.201 id.= 3.204 dev=  0.003 sig.= 0.000
B    156 SER C   . - B    158 VAL CA  . mod.= 5.103 id.= 5.101 dev= -0.003 sig.= 0.000
B    156 SER O   . - B    157 VAL CA  . mod.= 2.831 id.= 2.840 dev=  0.009 sig.= 0.000
B    156 SER O   . - B    157 VAL C   . mod.= 3.543 id.= 3.549 dev=  0.005 sig.= 0.000
B    156 SER O   . - B    157 VAL O   . mod.= 4.270 id.= 4.272 dev=  0.002 sig.= 0.000
B    156 SER O   . - B    158 VAL CA  . mod.= 5.088 id.= 5.085 dev= -0.003 sig.= 0.000
B    157 VAL N   . - B    246 ASN CA  . mod.= 5.118 id.= 5.124 dev=  0.006 sig.= 0.000
B    157 VAL CA  . - B    158 VAL CA  . mod.= 3.767 id.= 3.770 dev=  0.002 sig.= 0.000
B    157 VAL CA  . - B    158 VAL C   . mod.= 4.623 id.= 4.628 dev=  0.005 sig.= 0.000
B    157 VAL CA  . - B    158 VAL O   . mod.= 4.919 id.= 4.927 dev=  0.007 sig.= 0.000
B    157 VAL CA  . - B    159 VAL N   . mod.= 5.380 id.= 5.383 dev=  0.004 sig.= 0.000
B    157 VAL CA  . - B    246 ASN CA  . mod.= 5.121 id.= 5.124 dev=  0.003 sig.= 0.000
B    157 VAL CA  . - B    246 ASN O   . mod.= 5.463 id.= 5.461 dev= -0.002 sig.= 0.000
B    157 VAL C   . - B    159 VAL N   . mod.= 4.058 id.= 4.056 dev= -0.003 sig.= 0.000
B    157 VAL C   . - B    159 VAL CA  . mod.= 5.275 id.= 5.273 dev= -0.002 sig.= 0.000
B    157 VAL C   . - B    178 ASN O   . mod.= 5.645 id.= 5.649 dev=  0.004 sig.= 0.000
B    157 VAL O   . - B    159 VAL CA  . mod.= 5.251 id.= 5.248 dev= -0.002 sig.= 0.000
B    158 VAL N   . - B    159 VAL N   . mod.= 3.406 id.= 3.403 dev= -0.003 sig.= 0.000
B    158 VAL N   . - B    178 ASN C   . mod.= 5.595 id.= 5.600 dev=  0.005 sig.= 0.000
B    158 VAL N   . - B    179 VAL CA  . mod.= 5.537 id.= 5.552 dev=  0.015 sig.= 0.000
B    158 VAL N   . - B    180 ILE N   . mod.= 5.464 id.= 5.459 dev= -0.005 sig.= 0.000
B    158 VAL CA  . - B    159 VAL CA  . mod.= 3.762 id.= 3.757 dev= -0.004 sig.= 0.000
B    158 VAL CA  . - B    159 VAL C   . mod.= 4.634 id.= 4.631 dev= -0.003 sig.= 0.000
B    158 VAL CA  . - B    159 VAL O   . mod.= 4.758 id.= 4.756 dev= -0.002 sig.= 0.000
B    158 VAL CA  . - B    178 ASN C   . mod.= 5.592 id.= 5.588 dev= -0.004 sig.= 0.000
B    158 VAL CA  . - B    179 VAL CA  . mod.= 5.060 id.= 5.065 dev=  0.006 sig.= 0.000
B    158 VAL CA  . - B    179 VAL C   . mod.= 5.706 id.= 5.703 dev= -0.003 sig.= 0.000
B    158 VAL CA  . - B    180 ILE N   . mod.= 5.155 id.= 5.147 dev= -0.007 sig.= 0.000
B    158 VAL C   . - B    160 ALA N   . mod.= 4.319 id.= 4.322 dev=  0.003 sig.= 0.000
B    158 VAL C   . - B    178 ASN C   . mod.= 5.543 id.= 5.538 dev= -0.005 sig.= 0.000
B    158 VAL C   . - B    179 VAL CA  . mod.= 4.437 id.= 4.443 dev=  0.007 sig.= 0.000
B    158 VAL C   . - B    179 VAL O   . mod.= 5.994 id.= 5.987 dev= -0.008 sig.= 0.000
B    158 VAL O   . - B    159 VAL CA  . mod.= 2.773 id.= 2.776 dev=  0.003 sig.= 0.000
B    158 VAL O   . - B    159 VAL O   . mod.= 4.595 id.= 4.593 dev= -0.002 sig.= 0.000
B    158 VAL O   . - B    160 ALA CA  . mod.= 5.736 id.= 5.734 dev= -0.002 sig.= 0.000
B    158 VAL O   . - B    179 VAL CA  . mod.= 3.589 id.= 3.602 dev=  0.012 sig.= 0.000
B    158 VAL O   . - B    179 VAL C   . mod.= 3.688 id.= 3.692 dev=  0.004 sig.= 0.000
B    158 VAL O   . - B    179 VAL O   . mod.= 4.915 id.= 4.911 dev= -0.005 sig.= 0.000
B    158 VAL O   . - B    180 ILE N   . mod.= 2.859 id.= 2.855 dev= -0.004 sig.= 0.000
B    158 VAL O   . - B    180 ILE C   . mod.= 4.442 id.= 4.439 dev= -0.002 sig.= 0.000
B    158 VAL O   . - B    181 ALA N   . mod.= 5.687 id.= 5.683 dev= -0.004 sig.= 0.000
B    159 VAL N   . - B    178 ASN O   . mod.= 5.935 id.= 5.931 dev= -0.004 sig.= 0.000
B    159 VAL N   . - B    179 VAL C   . mod.= 5.514 id.= 5.509 dev= -0.005 sig.= 0.000
B    159 VAL N   . - B    180 ILE N   . mod.= 4.668 id.= 4.665 dev= -0.004 sig.= 0.000
B    159 VAL CA  . - B    160 ALA C   . mod.= 4.858 id.= 4.855 dev= -0.003 sig.= 0.000
B    159 VAL CA  . - B    160 ALA O   . mod.= 5.019 id.= 5.016 dev= -0.003 sig.= 0.000
B    159 VAL CA  . - B    179 VAL CA  . mod.= 5.551 id.= 5.557 dev=  0.006 sig.= 0.000
B    159 VAL CA  . - B    180 ILE N   . mod.= 4.398 id.= 4.400 dev=  0.002 sig.= 0.000
B    159 VAL CA  . - B    180 ILE CA  . mod.= 4.728 id.= 4.731 dev=  0.003 sig.= 0.000
B    159 VAL CA  . - B    180 ILE O   . mod.= 3.564 id.= 3.566 dev=  0.002 sig.= 0.000
B    159 VAL CA  . - B    181 ALA N   . mod.= 5.763 id.= 5.761 dev= -0.002 sig.= 0.000
B    159 VAL CA  . - B    229 SER O   . mod.= 5.858 id.= 5.849 dev= -0.010 sig.= 0.000
B    159 VAL C   . - B    160 ALA C   . mod.= 3.637 id.= 3.635 dev= -0.002 sig.= 0.000
B    159 VAL C   . - B    179 VAL CA  . mod.= 5.904 id.= 5.896 dev= -0.008 sig.= 0.000
B    159 VAL C   . - B    179 VAL C   . mod.= 5.823 id.= 5.813 dev= -0.010 sig.= 0.000
B    159 VAL C   . - B    181 ALA N   . mod.= 5.869 id.= 5.865 dev= -0.004 sig.= 0.000
B    159 VAL C   . - B    229 SER CA  . mod.= 5.981 id.= 5.988 dev=  0.007 sig.= 0.000
B    159 VAL O   . - B    180 ILE O   . mod.= 4.892 id.= 4.889 dev= -0.003 sig.= 0.000
B    160 ALA N   . - B    161 ALA O   . mod.= 5.416 id.= 5.412 dev= -0.004 sig.= 0.000
B    160 ALA N   . - B    179 VAL CA  . mod.= 5.763 id.= 5.759 dev= -0.004 sig.= 0.000
B    160 ALA N   . - B    179 VAL C   . mod.= 5.486 id.= 5.478 dev= -0.007 sig.= 0.000
B    160 ALA N   . - B    180 ILE N   . mod.= 4.826 id.= 4.831 dev=  0.006 sig.= 0.000
B    160 ALA N   . - B    180 ILE CA  . mod.= 5.005 id.= 5.002 dev= -0.002 sig.= 0.000
B    160 ALA N   . - B    181 ALA N   . mod.= 4.936 id.= 4.934 dev= -0.003 sig.= 0.000
B    160 ALA N   . - B    181 ALA CA  . mod.= 4.865 id.= 4.860 dev= -0.005 sig.= 0.000
B    160 ALA N   . - B    181 ALA C   . mod.= 5.380 id.= 5.376 dev= -0.004 sig.= 0.000
B    160 ALA N   . - B    182 VAL N   . mod.= 5.052 id.= 5.048 dev= -0.004 sig.= 0.000
B    160 ALA N   . - B    229 SER O   . mod.= 5.960 id.= 5.955 dev= -0.005 sig.= 0.000
B    160 ALA CA  . - B    161 ALA CA  . mod.= 3.758 id.= 3.764 dev=  0.007 sig.= 0.000
B    160 ALA CA  . - B    161 ALA O   . mod.= 4.187 id.= 4.182 dev= -0.005 sig.= 0.000
B    160 ALA CA  . - B    180 ILE C   . mod.= 5.025 id.= 5.021 dev= -0.004 sig.= 0.000
B    160 ALA CA  . - B    180 ILE O   . mod.= 3.911 id.= 3.906 dev= -0.005 sig.= 0.000
B    160 ALA CA  . - B    181 ALA N   . mod.= 5.589 id.= 5.582 dev= -0.007 sig.= 0.000
B    160 ALA CA  . - B    181 ALA CA  . mod.= 5.158 id.= 5.152 dev= -0.006 sig.= 0.000
B    160 ALA CA  . - B    181 ALA C   . mod.= 5.667 id.= 5.665 dev= -0.002 sig.= 0.000
B    160 ALA CA  . - B    229 SER CA  . mod.= 5.622 id.= 5.634 dev=  0.012 sig.= 0.000
B    160 ALA C   . - B    229 SER N   . mod.= 5.750 id.= 5.744 dev= -0.005 sig.= 0.000
B    160 ALA C   . - B    229 SER CA  . mod.= 4.955 id.= 4.949 dev= -0.006 sig.= 0.000
B    160 ALA C   . - B    229 SER C   . mod.= 5.969 id.= 5.964 dev= -0.005 sig.= 0.000
B    160 ALA O   . - B    161 ALA O   . mod.= 3.553 id.= 3.550 dev= -0.003 sig.= 0.000
B    160 ALA O   . - B    162 ALA N   . mod.= 3.570 id.= 3.568 dev= -0.003 sig.= 0.000
B    160 ALA O   . - B    162 ALA C   . mod.= 5.823 id.= 5.820 dev= -0.003 sig.= 0.000
B    160 ALA O   . - B    180 ILE CA  . mod.= 5.780 id.= 5.776 dev= -0.004 sig.= 0.000
B    160 ALA O   . - B    181 ALA C   . mod.= 3.644 id.= 3.642 dev= -0.002 sig.= 0.000
B    160 ALA O   . - B    182 VAL N   . mod.= 2.826 id.= 2.823 dev= -0.003 sig.= 0.000
B    160 ALA O   . - B    229 SER N   . mod.= 5.621 id.= 5.617 dev= -0.004 sig.= 0.000
B    160 ALA O   . - B    229 SER CA  . mod.= 4.926 id.= 4.922 dev= -0.004 sig.= 0.000
B    161 ALA N   . - B    162 ALA N   . mod.= 3.493 id.= 3.491 dev= -0.002 sig.= 0.000
B    161 ALA N   . - B    163 GLY N   . mod.= 5.428 id.= 5.424 dev= -0.004 sig.= 0.000
B    161 ALA N   . - B    182 VAL CA  . mod.= 5.452 id.= 5.455 dev=  0.003 sig.= 0.000
B    161 ALA N   . - B    182 VAL C   . mod.= 5.666 id.= 5.668 dev=  0.002 sig.= 0.000
B    161 ALA N   . - B    225 THR C   . mod.= 5.452 id.= 5.455 dev=  0.003 sig.= 0.000
B    161 ALA N   . - B    225 THR O   . mod.= 4.900 id.= 4.903 dev=  0.003 sig.= 0.000
B    161 ALA N   . - B    226 SER N   . mod.= 5.795 id.= 5.800 dev=  0.005 sig.= 0.000
B    161 ALA N   . - B    229 SER CA  . mod.= 4.978 id.= 4.975 dev= -0.003 sig.= 0.000
B    161 ALA CA  . - B    162 ALA CA  . mod.= 3.810 id.= 3.812 dev=  0.002 sig.= 0.000
B    161 ALA CA  . - B    163 GLY N   . mod.= 4.251 id.= 4.248 dev= -0.003 sig.= 0.000
B    161 ALA CA  . - B    163 GLY CA  . mod.= 5.348 id.= 5.345 dev= -0.003 sig.= 0.000
B    161 ALA CA  . - B    182 VAL CA  . mod.= 5.041 id.= 5.046 dev=  0.005 sig.= 0.000
B    161 ALA CA  . - B    182 VAL C   . mod.= 4.874 id.= 4.878 dev=  0.004 sig.= 0.000
B    161 ALA CA  . - B    182 VAL O   . mod.= 3.919 id.= 3.923 dev=  0.004 sig.= 0.000
B    161 ALA CA  . - B    225 THR CA  . mod.= 5.128 id.= 5.135 dev=  0.007 sig.= 0.000
B    161 ALA CA  . - B    225 THR C   . mod.= 4.292 id.= 4.294 dev=  0.002 sig.= 0.000
B    161 ALA CA  . - B    225 THR O   . mod.= 3.894 id.= 3.896 dev=  0.003 sig.= 0.000
B    161 ALA CA  . - B    226 SER N   . mod.= 4.765 id.= 4.768 dev=  0.003 sig.= 0.000
B    161 ALA CA  . - B    226 SER CA  . mod.= 4.861 id.= 4.855 dev= -0.006 sig.= 0.000
B    161 ALA CA  . - B    226 SER C   . mod.= 5.955 id.= 5.960 dev=  0.006 sig.= 0.000
B    161 ALA CA  . - B    229 SER CA  . mod.= 5.028 id.= 5.025 dev= -0.003 sig.= 0.000
B    161 ALA C   . - B    162 ALA C   . mod.= 3.118 id.= 3.120 dev=  0.002 sig.= 0.000
B    161 ALA C   . - B    163 GLY N   . mod.= 3.191 id.= 3.189 dev= -0.002 sig.= 0.000
B    161 ALA C   . - B    163 GLY CA  . mod.= 4.412 id.= 4.409 dev= -0.003 sig.= 0.000
B    161 ALA C   . - B    163 GLY C   . mod.= 5.485 id.= 5.481 dev= -0.004 sig.= 0.000
B    161 ALA C   . - B    163 GLY O   . mod.= 5.582 id.= 5.579 dev= -0.003 sig.= 0.000
B    161 ALA C   . - B    225 THR CA  . mod.= 5.633 id.= 5.637 dev=  0.004 sig.= 0.000
B    161 ALA O   . - B    163 GLY N   . mod.= 3.483 id.= 3.481 dev= -0.002 sig.= 0.000
B    161 ALA O   . - B    163 GLY CA  . mod.= 4.513 id.= 4.509 dev= -0.004 sig.= 0.000
B    161 ALA O   . - B    163 GLY C   . mod.= 5.796 id.= 5.792 dev= -0.004 sig.= 0.000
B    161 ALA O   . - B    181 ALA CA  . mod.= 5.548 id.= 5.541 dev= -0.006 sig.= 0.000
B    161 ALA O   . - B    181 ALA C   . mod.= 5.912 id.= 5.907 dev= -0.005 sig.= 0.000
B    161 ALA O   . - B    182 VAL N   . mod.= 5.173 id.= 5.170 dev= -0.003 sig.= 0.000
B    162 ALA N   . - B    225 THR CA  . mod.= 5.193 id.= 5.196 dev=  0.002 sig.= 0.000
B    162 ALA N   . - B    225 THR O   . mod.= 4.911 id.= 4.908 dev= -0.003 sig.= 0.000
B    162 ALA N   . - B    226 SER N   . mod.= 5.837 id.= 5.835 dev= -0.002 sig.= 0.000
B    162 ALA CA  . - B    181 ALA CA  . mod.= 5.250 id.= 5.247 dev= -0.003 sig.= 0.000
B    162 ALA CA  . - B    181 ALA C   . mod.= 5.189 id.= 5.185 dev= -0.004 sig.= 0.000
B    162 ALA CA  . - B    182 VAL CA  . mod.= 5.077 id.= 5.072 dev= -0.005 sig.= 0.000
B    162 ALA CA  . - B    182 VAL C   . mod.= 4.467 id.= 4.462 dev= -0.005 sig.= 0.000
B    162 ALA CA  . - B    182 VAL O   . mod.= 3.833 id.= 3.830 dev= -0.003 sig.= 0.000
B    162 ALA CA  . - B    183 GLY N   . mod.= 5.227 id.= 5.223 dev= -0.004 sig.= 0.000
B    162 ALA CA  . - B    183 GLY CA  . mod.= 5.432 id.= 5.426 dev= -0.005 sig.= 0.000
B    162 ALA CA  . - B    196 ASN CA  . mod.= 5.934 id.= 5.931 dev= -0.004 sig.= 0.000
B    162 ALA C   . - B    182 VAL C   . mod.= 5.759 id.= 5.756 dev= -0.003 sig.= 0.000
B    162 ALA C   . - B    182 VAL O   . mod.= 4.988 id.= 4.986 dev= -0.002 sig.= 0.000
B    162 ALA C   . - B    196 ASN CA  . mod.= 5.402 id.= 5.396 dev= -0.006 sig.= 0.000
B    162 ALA C   . - B    196 ASN C   . mod.= 5.980 id.= 5.985 dev=  0.005 sig.= 0.000
B    162 ALA O   . - B    163 GLY CA  . mod.= 2.801 id.= 2.804 dev=  0.003 sig.= 0.000
B    162 ALA O   . - B    163 GLY C   . mod.= 3.610 id.= 3.613 dev=  0.003 sig.= 0.000
B    162 ALA O   . - B    164 ASN N   . mod.= 4.801 id.= 4.804 dev=  0.003 sig.= 0.000
B    162 ALA O   . - B    164 ASN O   . mod.= 5.796 id.= 5.799 dev=  0.003 sig.= 0.000
B    162 ALA O   . - B    196 ASN CA  . mod.= 5.245 id.= 5.240 dev= -0.005 sig.= 0.000
B    162 ALA O   . - B    196 ASN C   . mod.= 5.899 id.= 5.902 dev=  0.003 sig.= 0.000
B    163 GLY N   . - B    164 ASN N   . mod.= 3.561 id.= 3.558 dev= -0.003 sig.= 0.000
B    163 GLY N   . - B    164 ASN CA  . mod.= 4.723 id.= 4.720 dev= -0.003 sig.= 0.000
B    163 GLY N   . - B    196 ASN CA  . mod.= 5.623 id.= 5.619 dev= -0.004 sig.= 0.000
B    163 GLY N   . - B    225 THR N   . mod.= 5.910 id.= 5.916 dev=  0.006 sig.= 0.000
B    163 GLY N   . - B    225 THR CA  . mod.= 5.222 id.= 5.228 dev=  0.006 sig.= 0.000
B    163 GLY CA  . - B    164 ASN CA  . mod.= 3.757 id.= 3.755 dev= -0.002 sig.= 0.000
B    163 GLY CA  . - B    196 ASN CA  . mod.= 5.762 id.= 5.757 dev= -0.005 sig.= 0.000
B    163 GLY CA  . - B    225 THR CA  . mod.= 5.734 id.= 5.745 dev=  0.010 sig.= 0.000
B    163 GLY C   . - B    165 ASN CA  . mod.= 5.321 id.= 5.323 dev=  0.002 sig.= 0.000
B    163 GLY C   . - B    194 PHE O   . mod.= 4.990 id.= 4.987 dev= -0.003 sig.= 0.000
B    163 GLY C   . - B    195 SER C   . mod.= 5.278 id.= 5.282 dev=  0.004 sig.= 0.000
B    163 GLY C   . - B    196 ASN N   . mod.= 4.327 id.= 4.330 dev=  0.003 sig.= 0.000
B    163 GLY C   . - B    196 ASN CA  . mod.= 4.820 id.= 4.816 dev= -0.003 sig.= 0.000
B    163 GLY C   . - B    225 THR N   . mod.= 5.590 id.= 5.597 dev=  0.007 sig.= 0.000
B    163 GLY C   . - B    225 THR CA  . mod.= 5.448 id.= 5.454 dev=  0.005 sig.= 0.000
B    163 GLY O   . - B    194 PHE C   . mod.= 5.422 id.= 5.417 dev= -0.005 sig.= 0.000
B    163 GLY O   . - B    194 PHE O   . mod.= 4.513 id.= 4.510 dev= -0.003 sig.= 0.000
B    163 GLY O   . - B    195 SER N   . mod.= 5.472 id.= 5.467 dev= -0.005 sig.= 0.000
B    163 GLY O   . - B    195 SER CA  . mod.= 4.443 id.= 4.439 dev= -0.004 sig.= 0.000
B    163 GLY O   . - B    195 SER O   . mod.= 5.287 id.= 5.290 dev=  0.002 sig.= 0.000
B    163 GLY O   . - B    196 ASN CA  . mod.= 3.767 id.= 3.760 dev= -0.007 sig.= 0.000
B    163 GLY O   . - B    197 TYR N   . mod.= 5.986 id.= 5.994 dev=  0.008 sig.= 0.000
B    164 ASN N   . - B    164 ASN O   . mod.= 2.613 id.= 2.615 dev=  0.002 sig.= 0.000
B    164 ASN N   . - B    165 ASN CA  . mod.= 4.796 id.= 4.799 dev=  0.004 sig.= 0.000
B    164 ASN N   . - B    165 ASN C   . mod.= 5.595 id.= 5.603 dev=  0.008 sig.= 0.000
B    164 ASN N   . - B    165 ASN O   . mod.= 5.311 id.= 5.708 dev=  0.397 sig.= 0.000
B    164 ASN N   . - B    194 PHE C   . mod.= 5.657 id.= 5.654 dev= -0.004 sig.= 0.000
B    164 ASN N   . - B    194 PHE O   . mod.= 4.522 id.= 4.520 dev= -0.002 sig.= 0.000
B    164 ASN N   . - B    195 SER C   . mod.= 5.601 id.= 5.604 dev=  0.004 sig.= 0.000
B    164 ASN N   . - B    196 ASN N   . mod.= 4.888 id.= 4.891 dev=  0.003 sig.= 0.000
B    164 ASN N   . - B    225 THR N   . mod.= 5.631 id.= 5.638 dev=  0.007 sig.= 0.000
B    164 ASN N   . - B    225 THR CA  . mod.= 5.827 id.= 5.831 dev=  0.004 sig.= 0.000
B    164 ASN CA  . - B    165 ASN CA  . mod.= 3.846 id.= 3.840 dev= -0.006 sig.= 0.000
B    164 ASN CA  . - B    165 ASN C   . mod.= 4.679 id.= 4.688 dev=  0.009 sig.= 0.000
B    164 ASN CA  . - B    165 ASN O   . mod.= 4.370 id.= 4.692 dev=  0.322 sig.= 0.000
B    164 ASN CA  . - B    194 PHE CA  . mod.= 5.339 id.= 5.332 dev= -0.007 sig.= 0.000
B    164 ASN CA  . - B    195 SER C   . mod.= 4.806 id.= 4.809 dev=  0.002 sig.= 0.000
B    164 ASN CA  . - B    196 ASN CA  . mod.= 5.230 id.= 5.226 dev= -0.004 sig.= 0.000
B    164 ASN CA  . - B    225 THR N   . mod.= 5.695 id.= 5.702 dev=  0.008 sig.= 0.000
B    164 ASN C   . - B    165 ASN O   . mod.= 3.184 id.= 3.499 dev=  0.315 sig.= 0.000
B    164 ASN C   . - B    194 PHE CA  . mod.= 5.470 id.= 5.468 dev= -0.002 sig.= 0.000
B    164 ASN C   . - B    195 SER N   . mod.= 5.329 id.= 5.331 dev=  0.002 sig.= 0.000
B    164 ASN C   . - B    196 ASN CA  . mod.= 4.939 id.= 4.937 dev= -0.002 sig.= 0.000
B    164 ASN O   . - B    165 ASN CA  . mod.= 2.748 id.= 2.752 dev=  0.004 sig.= 0.000
B    164 ASN O   . - B    165 ASN C   . mod.= 3.271 id.= 3.265 dev= -0.006 sig.= 0.000
B    164 ASN O   . - B    165 ASN O   . mod.= 3.233 id.= 3.633 dev=  0.400 sig.= 0.000
B    164 ASN O   . - B    196 ASN CA  . mod.= 5.397 id.= 5.393 dev= -0.004 sig.= 0.000
B    165 ASN N   . - B    165 ASN O   . mod.= 2.797 id.= 2.922 dev=  0.125 sig.= 0.000
B    165 ASN N   . - B    194 PHE C   . mod.= 3.720 id.= 3.718 dev= -0.002 sig.= 0.000
B    165 ASN CA  . - B    194 PHE C   . mod.= 4.636 id.= 4.633 dev= -0.003 sig.= 0.000
B    165 ASN CA  . - B    195 SER C   . mod.= 4.810 id.= 4.807 dev= -0.003 sig.= 0.000
B    165 ASN CA  . - B    195 SER O   . mod.= 4.832 id.= 4.829 dev= -0.003 sig.= 0.000
B    165 ASN CA  . - B    196 ASN CA  . mod.= 4.955 id.= 4.958 dev=  0.003 sig.= 0.000
B    165 ASN C   . - B    194 PHE C   . mod.= 5.627 id.= 5.638 dev=  0.011 sig.= 0.000
B    165 ASN C   . - B    194 PHE O   . mod.= 4.790 id.= 4.804 dev=  0.014 sig.= 0.000
B    165 ASN O   . - B    194 PHE CA  . mod.= 5.858 id.= 5.701 dev= -0.158 sig.= 0.000
B    165 ASN O   . - B    194 PHE C   . mod.= 5.655 id.= 5.566 dev= -0.089 sig.= 0.000
B    165 ASN O   . - B    194 PHE O   . mod.= 4.758 id.= 4.752 dev= -0.005 sig.= 0.000
B    175 SER N   . - B    175 SER O   . mod.= 2.577 id.= 2.572 dev= -0.005 sig.= 0.000
B    175 SER N   . - B    176 TYR N   . mod.= 3.631 id.= 3.624 dev= -0.007 sig.= 0.000
B    175 SER N   . - B    176 TYR C   . mod.= 5.905 id.= 5.901 dev= -0.004 sig.= 0.000
B    175 SER CA  . - B    176 TYR CA  . mod.= 3.819 id.= 3.822 dev=  0.003 sig.= 0.000
B    175 SER CA  . - B    176 TYR C   . mod.= 4.710 id.= 4.703 dev= -0.007 sig.= 0.000
B    175 SER CA  . - B    176 TYR O   . mod.= 4.687 id.= 4.670 dev= -0.017 sig.= 0.000
B    175 SER CA  . - B    200 TRP O   . mod.= 5.878 id.= 5.839 dev= -0.039 sig.= 0.000
B    175 SER C   . - B    176 TYR C   . mod.= 3.523 id.= 3.526 dev=  0.003 sig.= 0.000
B    175 SER C   . - B    176 TYR O   . mod.= 3.821 id.= 3.818 dev= -0.003 sig.= 0.000
B    175 SER C   . - B    177 GLU N   . mod.= 4.569 id.= 4.575 dev=  0.006 sig.= 0.000
B    175 SER C   . - B    177 GLU CA  . mod.= 5.805 id.= 5.800 dev= -0.005 sig.= 0.000
B    175 SER O   . - B    176 TYR CA  . mod.= 2.770 id.= 2.777 dev=  0.007 sig.= 0.000
B    175 SER O   . - B    176 TYR C   . mod.= 4.009 id.= 4.007 dev= -0.003 sig.= 0.000
B    176 TYR N   . - B    176 TYR O   . mod.= 2.594 id.= 2.587 dev= -0.007 sig.= 0.000
B    176 TYR N   . - B    177 GLU CA  . mod.= 4.756 id.= 4.747 dev= -0.010 sig.= 0.000
B    176 TYR N   . - B    177 GLU C   . mod.= 5.470 id.= 5.465 dev= -0.005 sig.= 0.000
B    176 TYR N   . - B    179 VAL N   . mod.= 5.295 id.= 5.299 dev=  0.004 sig.= 0.000
B    176 TYR N   . - B    179 VAL CA  . mod.= 5.583 id.= 5.589 dev=  0.006 sig.= 0.000
B    176 TYR N   . - B    179 VAL C   . mod.= 5.817 id.= 5.812 dev= -0.005 sig.= 0.000
B    176 TYR N   . - B    179 VAL O   . mod.= 5.090 id.= 5.073 dev= -0.017 sig.= 0.000
B    176 TYR CA  . - B    177 GLU CA  . mod.= 3.796 id.= 3.807 dev=  0.011 sig.= 0.000
B    176 TYR CA  . - B    177 GLU C   . mod.= 4.545 id.= 4.553 dev=  0.008 sig.= 0.000
B    176 TYR CA  . - B    178 ASN N   . mod.= 4.443 id.= 4.446 dev=  0.004 sig.= 0.000
B    176 TYR CA  . - B    178 ASN CA  . mod.= 5.605 id.= 5.603 dev= -0.002 sig.= 0.000
B    176 TYR CA  . - B    178 ASN C   . mod.= 5.617 id.= 5.621 dev=  0.004 sig.= 0.000
B    176 TYR CA  . - B    179 VAL N   . mod.= 4.789 id.= 4.793 dev=  0.005 sig.= 0.000
B    176 TYR CA  . - B    179 VAL CA  . mod.= 5.397 id.= 5.401 dev=  0.005 sig.= 0.000
B    176 TYR CA  . - B    179 VAL C   . mod.= 5.903 id.= 5.906 dev=  0.003 sig.= 0.000
B    176 TYR C   . - B    177 GLU O   . mod.= 4.035 id.= 4.028 dev= -0.006 sig.= 0.000
B    176 TYR C   . - B    178 ASN N   . mod.= 3.339 id.= 3.335 dev= -0.003 sig.= 0.000
B    176 TYR C   . - B    178 ASN CA  . mod.= 4.584 id.= 4.581 dev= -0.004 sig.= 0.000
B    176 TYR C   . - B    178 ASN O   . mod.= 5.980 id.= 5.991 dev=  0.011 sig.= 0.000
B    176 TYR O   . - B    177 GLU CA  . mod.= 2.776 id.= 2.769 dev= -0.007 sig.= 0.000
B    176 TYR O   . - B    177 GLU O   . mod.= 3.705 id.= 3.694 dev= -0.011 sig.= 0.000
B    176 TYR O   . - B    178 ASN C   . mod.= 4.520 id.= 4.517 dev= -0.002 sig.= 0.000
B    176 TYR O   . - B    178 ASN O   . mod.= 5.681 id.= 5.687 dev=  0.006 sig.= 0.000
B    176 TYR O   . - B    179 VAL N   . mod.= 3.554 id.= 3.552 dev= -0.002 sig.= 0.000
B    176 TYR O   . - B    179 VAL C   . mod.= 4.311 id.= 4.302 dev= -0.009 sig.= 0.000
B    176 TYR O   . - B    179 VAL O   . mod.= 3.487 id.= 3.478 dev= -0.010 sig.= 0.000
B    176 TYR O   . - B    180 ILE N   . mod.= 5.587 id.= 5.594 dev=  0.007 sig.= 0.000
B    177 GLU N   . - B    177 GLU O   . mod.= 3.557 id.= 3.554 dev= -0.003 sig.= 0.000
B    177 GLU N   . - B    178 ASN N   . mod.= 2.827 id.= 2.824 dev= -0.004 sig.= 0.000
B    177 GLU N   . - B    178 ASN CA  . mod.= 4.249 id.= 4.246 dev= -0.004 sig.= 0.000
B    177 GLU N   . - B    178 ASN C   . mod.= 4.882 id.= 4.880 dev= -0.002 sig.= 0.000
B    177 GLU N   . - B    179 VAL N   . mod.= 4.442 id.= 4.444 dev=  0.003 sig.= 0.000
B    177 GLU N   . - B    179 VAL CA  . mod.= 5.580 id.= 5.583 dev=  0.003 sig.= 0.000
B    177 GLU N   . - B    179 VAL O   . mod.= 5.428 id.= 5.435 dev=  0.008 sig.= 0.000
B    177 GLU CA  . - B    178 ASN CA  . mod.= 3.786 id.= 3.792 dev=  0.006 sig.= 0.000
B    177 GLU CA  . - B    178 ASN C   . mod.= 4.720 id.= 4.718 dev= -0.002 sig.= 0.000
B    177 GLU CA  . - B    178 ASN O   . mod.= 5.925 id.= 5.921 dev= -0.004 sig.= 0.000
B    177 GLU CA  . - B    179 VAL N   . mod.= 4.483 id.= 4.481 dev= -0.002 sig.= 0.000
B    177 GLU CA  . - B    179 VAL CA  . mod.= 5.769 id.= 5.765 dev= -0.004 sig.= 0.000
B    177 GLU CA  . - B    179 VAL O   . mod.= 5.444 id.= 5.434 dev= -0.010 sig.= 0.000
B    177 GLU C   . - B    178 ASN O   . mod.= 4.620 id.= 4.613 dev= -0.006 sig.= 0.000
B    177 GLU C   . - B    179 VAL N   . mod.= 3.465 id.= 3.471 dev=  0.006 sig.= 0.000
B    177 GLU C   . - B    179 VAL CA  . mod.= 4.856 id.= 4.861 dev=  0.005 sig.= 0.000
B    177 GLU C   . - B    179 VAL O   . mod.= 4.809 id.= 4.814 dev=  0.006 sig.= 0.000
B    177 GLU O   . - B    178 ASN CA  . mod.= 2.735 id.= 2.752 dev=  0.017 sig.= 0.000
B    177 GLU O   . - B    178 ASN O   . mod.= 4.770 id.= 4.754 dev= -0.016 sig.= 0.000
B    177 GLU O   . - B    179 VAL N   . mod.= 3.738 id.= 3.741 dev=  0.003 sig.= 0.000
B    177 GLU O   . - B    179 VAL CA  . mod.= 5.020 id.= 5.024 dev=  0.004 sig.= 0.000
B    177 GLU O   . - B    179 VAL O   . mod.= 4.649 id.= 4.659 dev=  0.010 sig.= 0.000
B    177 GLU O   . - B    180 ILE N   . mod.= 5.946 id.= 5.939 dev= -0.007 sig.= 0.000
B    178 ASN N   . - B    179 VAL C   . mod.= 4.906 id.= 4.901 dev= -0.005 sig.= 0.000
B    178 ASN N   . - B    179 VAL O   . mod.= 4.825 id.= 4.823 dev= -0.002 sig.= 0.000
B    178 ASN CA  . - B    179 VAL CA  . mod.= 3.794 id.= 3.792 dev= -0.002 sig.= 0.000
B    178 ASN CA  . - B    179 VAL O   . mod.= 4.822 id.= 4.828 dev=  0.006 sig.= 0.000
B    178 ASN C   . - B    179 VAL O   . mod.= 3.985 id.= 3.983 dev= -0.002 sig.= 0.000
B    178 ASN C   . - B    180 ILE N   . mod.= 4.193 id.= 4.197 dev=  0.004 sig.= 0.000
B    178 ASN O   . - B    179 VAL CA  . mod.= 2.736 id.= 2.753 dev=  0.017 sig.= 0.000
B    178 ASN O   . - B    179 VAL O   . mod.= 4.656 id.= 4.654 dev= -0.003 sig.= 0.000
B    178 ASN O   . - B    180 ILE CA  . mod.= 5.614 id.= 5.609 dev= -0.005 sig.= 0.000
B    179 VAL N   . - B    179 VAL O   . mod.= 2.817 id.= 2.810 dev= -0.007 sig.= 0.000
B    179 VAL N   . - B    180 ILE N   . mod.= 3.443 id.= 3.452 dev=  0.009 sig.= 0.000
B    179 VAL N   . - B    180 ILE C   . mod.= 5.509 id.= 5.505 dev= -0.004 sig.= 0.000
B    179 VAL CA  . - B    180 ILE CA  . mod.= 3.806 id.= 3.819 dev=  0.013 sig.= 0.000
B    179 VAL CA  . - B    180 ILE C   . mod.= 4.389 id.= 4.393 dev=  0.004 sig.= 0.000
B    179 VAL CA  . - B    181 ALA N   . mod.= 4.972 id.= 4.977 dev=  0.005 sig.= 0.000
B    179 VAL CA  . - B    181 ALA CA  . mod.= 5.949 id.= 5.952 dev=  0.003 sig.= 0.000
B    179 VAL C   . - B    180 ILE O   . mod.= 3.735 id.= 3.729 dev= -0.005 sig.= 0.000
B    179 VAL C   . - B    181 ALA CA  . mod.= 4.778 id.= 4.776 dev= -0.002 sig.= 0.000
B    179 VAL O   . - B    180 ILE CA  . mod.= 2.777 id.= 2.783 dev=  0.006 sig.= 0.000
B    179 VAL O   . - B    180 ILE C   . mod.= 3.282 id.= 3.279 dev= -0.004 sig.= 0.000
B    179 VAL O   . - B    180 ILE O   . mod.= 4.168 id.= 4.156 dev= -0.012 sig.= 0.000
B    179 VAL O   . - B    181 ALA CA  . mod.= 4.441 id.= 4.438 dev= -0.003 sig.= 0.000
B    179 VAL O   . - B    181 ALA C   . mod.= 5.720 id.= 5.723 dev=  0.003 sig.= 0.000
B    179 VAL O   . - B    200 TRP O   . mod.= 5.921 id.= 5.918 dev= -0.003 sig.= 0.000
B    180 ILE CA  . - B    181 ALA CA  . mod.= 3.823 id.= 3.810 dev= -0.013 sig.= 0.000
B    180 ILE CA  . - B    181 ALA C   . mod.= 4.556 id.= 4.547 dev= -0.009 sig.= 0.000
B    180 ILE CA  . - B    181 ALA O   . mod.= 4.747 id.= 4.740 dev= -0.007 sig.= 0.000
B    180 ILE CA  . - B    182 VAL N   . mod.= 5.440 id.= 5.433 dev= -0.007 sig.= 0.000
B    180 ILE CA  . - B    202 ASP CA  . mod.= 5.919 id.= 5.910 dev= -0.008 sig.= 0.000
B    180 ILE C   . - B    182 VAL CA  . mod.= 5.119 id.= 5.123 dev=  0.004 sig.= 0.000
B    180 ILE C   . - B    202 ASP N   . mod.= 5.520 id.= 5.512 dev= -0.007 sig.= 0.000
B    180 ILE C   . - B    202 ASP CA  . mod.= 5.690 id.= 5.687 dev= -0.003 sig.= 0.000
B    180 ILE O   . - B    181 ALA CA  . mod.= 2.771 id.= 2.759 dev= -0.012 sig.= 0.000
B    180 ILE O   . - B    181 ALA C   . mod.= 3.380 id.= 3.376 dev= -0.005 sig.= 0.000
B    180 ILE O   . - B    182 VAL CA  . mod.= 4.827 id.= 4.832 dev=  0.004 sig.= 0.000
B    181 ALA N   . - B    181 ALA O   . mod.= 2.842 id.= 2.846 dev=  0.004 sig.= 0.000
B    181 ALA N   . - B    182 VAL N   . mod.= 3.505 id.= 3.507 dev=  0.003 sig.= 0.000
B    181 ALA N   . - B    182 VAL CA  . mod.= 4.725 id.= 4.728 dev=  0.003 sig.= 0.000
B    181 ALA N   . - B    200 TRP O   . mod.= 5.048 id.= 5.037 dev= -0.011 sig.= 0.000
B    181 ALA N   . - B    201 VAL CA  . mod.= 5.565 id.= 5.562 dev= -0.004 sig.= 0.000
B    181 ALA N   . - B    201 VAL C   . mod.= 5.488 id.= 5.483 dev= -0.005 sig.= 0.000
B    181 ALA N   . - B    202 ASP N   . mod.= 4.397 id.= 4.393 dev= -0.004 sig.= 0.000
B    181 ALA N   . - B    202 ASP C   . mod.= 5.722 id.= 5.725 dev=  0.003 sig.= 0.000
B    181 ALA N   . - B    203 VAL N   . mod.= 5.473 id.= 5.477 dev=  0.004 sig.= 0.000
B    181 ALA CA  . - B    182 VAL CA  . mod.= 3.787 id.= 3.785 dev= -0.002 sig.= 0.000
B    181 ALA CA  . - B    200 TRP C   . mod.= 5.797 id.= 5.789 dev= -0.007 sig.= 0.000
B    181 ALA CA  . - B    200 TRP O   . mod.= 4.867 id.= 4.861 dev= -0.006 sig.= 0.000
B    181 ALA CA  . - B    201 VAL N   . mod.= 5.874 id.= 5.866 dev= -0.008 sig.= 0.000
B    181 ALA CA  . - B    201 VAL C   . mod.= 5.177 id.= 5.173 dev= -0.004 sig.= 0.000
B    181 ALA CA  . - B    202 ASP N   . mod.= 4.334 id.= 4.330 dev= -0.004 sig.= 0.000
B    181 ALA CA  . - B    202 ASP CA  . mod.= 5.102 id.= 5.099 dev= -0.003 sig.= 0.000
B    181 ALA CA  . - B    202 ASP C   . mod.= 5.935 id.= 5.932 dev= -0.002 sig.= 0.000
B    181 ALA CA  . - B    203 VAL N   . mod.= 5.521 id.= 5.519 dev= -0.002 sig.= 0.000
B    181 ALA C   . - B    200 TRP O   . mod.= 5.331 id.= 5.328 dev= -0.003 sig.= 0.000
B    181 ALA C   . - B    201 VAL N   . mod.= 5.811 id.= 5.806 dev= -0.005 sig.= 0.000
B    181 ALA C   . - B    201 VAL O   . mod.= 5.814 id.= 5.812 dev= -0.002 sig.= 0.000
B    181 ALA C   . - B    203 VAL C   . mod.= 5.237 id.= 5.234 dev= -0.003 sig.= 0.000
B    181 ALA O   . - B    182 VAL CA  . mod.= 2.783 id.= 2.780 dev= -0.003 sig.= 0.000
B    181 ALA O   . - B    200 TRP C   . mod.= 5.676 id.= 5.674 dev= -0.002 sig.= 0.000
B    181 ALA O   . - B    201 VAL N   . mod.= 5.337 id.= 5.334 dev= -0.004 sig.= 0.000
B    181 ALA O   . - B    201 VAL O   . mod.= 4.835 id.= 4.833 dev= -0.002 sig.= 0.000
B    181 ALA O   . - B    203 VAL C   . mod.= 4.293 id.= 4.290 dev= -0.003 sig.= 0.000
B    181 ALA O   . - B    204 VAL N   . mod.= 5.561 id.= 5.564 dev=  0.002 sig.= 0.000
B    182 VAL N   . - B    183 GLY O   . mod.= 5.788 id.= 5.786 dev= -0.002 sig.= 0.000
B    182 VAL N   . - B    203 VAL CA  . mod.= 5.867 id.= 5.870 dev=  0.003 sig.= 0.000
B    182 VAL N   . - B    229 SER CA  . mod.= 5.933 id.= 5.928 dev= -0.005 sig.= 0.000
B    182 VAL CA  . - B    201 VAL CA  . mod.= 5.793 id.= 5.786 dev= -0.007 sig.= 0.000
B    182 VAL CA  . - B    201 VAL C   . mod.= 5.890 id.= 5.886 dev= -0.004 sig.= 0.000
B    182 VAL CA  . - B    202 ASP N   . mod.= 5.398 id.= 5.395 dev= -0.003 sig.= 0.000
B    182 VAL CA  . - B    204 VAL N   . mod.= 5.251 id.= 5.256 dev=  0.005 sig.= 0.000
B    182 VAL CA  . - B    204 VAL CA  . mod.= 5.223 id.= 5.227 dev=  0.003 sig.= 0.000
B    182 VAL CA  . - B    204 VAL C   . mod.= 5.940 id.= 5.942 dev=  0.003 sig.= 0.000
B    182 VAL CA  . - B    225 THR O   . mod.= 5.741 id.= 5.743 dev=  0.002 sig.= 0.000
B    182 VAL CA  . - B    229 SER CA  . mod.= 5.380 id.= 5.383 dev=  0.003 sig.= 0.000
B    182 VAL C   . - B    201 VAL CA  . mod.= 5.919 id.= 5.913 dev= -0.006 sig.= 0.000
B    182 VAL C   . - B    204 VAL N   . mod.= 5.406 id.= 5.408 dev=  0.003 sig.= 0.000
B    182 VAL C   . - B    204 VAL CA  . mod.= 5.040 id.= 5.043 dev=  0.003 sig.= 0.000
B    182 VAL C   . - B    204 VAL C   . mod.= 5.852 id.= 5.855 dev=  0.003 sig.= 0.000
B    182 VAL C   . - B    205 ALA N   . mod.= 5.769 id.= 5.766 dev= -0.003 sig.= 0.000
B    182 VAL C   . - B    225 THR CA  . mod.= 5.573 id.= 5.575 dev=  0.002 sig.= 0.000
B    182 VAL C   . - B    225 THR C   . mod.= 5.711 id.= 5.713 dev=  0.002 sig.= 0.000
B    182 VAL O   . - B    204 VAL CA  . mod.= 5.987 id.= 5.991 dev=  0.004 sig.= 0.000
B    182 VAL O   . - B    226 SER N   . mod.= 5.839 id.= 5.837 dev= -0.002 sig.= 0.000
B    182 VAL O   . - B    228 ALA CA  . mod.= 5.626 id.= 5.623 dev= -0.003 sig.= 0.000
B    182 VAL O   . - B    228 ALA C   . mod.= 5.452 id.= 5.449 dev= -0.003 sig.= 0.000
B    183 GLY N   . - B    184 ALA C   . mod.= 5.836 id.= 5.833 dev= -0.003 sig.= 0.000
B    183 GLY N   . - B    196 ASN O   . mod.= 5.551 id.= 5.556 dev=  0.005 sig.= 0.000
B    183 GLY N   . - B    201 VAL CA  . mod.= 5.627 id.= 5.623 dev= -0.004 sig.= 0.000
B    183 GLY N   . - B    203 VAL CA  . mod.= 5.298 id.= 5.294 dev= -0.004 sig.= 0.000
B    183 GLY N   . - B    205 ALA N   . mod.= 5.123 id.= 5.118 dev= -0.004 sig.= 0.000
B    183 GLY CA  . - B    196 ASN N   . mod.= 5.857 id.= 5.859 dev=  0.002 sig.= 0.000
B    183 GLY CA  . - B    196 ASN C   . mod.= 5.734 id.= 5.738 dev=  0.004 sig.= 0.000
B    183 GLY CA  . - B    196 ASN O   . mod.= 4.614 id.= 4.612 dev= -0.002 sig.= 0.000
B    183 GLY CA  . - B    203 VAL C   . mod.= 4.960 id.= 4.964 dev=  0.003 sig.= 0.000
B    183 GLY CA  . - B    204 VAL C   . mod.= 5.427 id.= 5.430 dev=  0.003 sig.= 0.000
B    183 GLY C   . - B    184 ALA C   . mod.= 3.436 id.= 3.433 dev= -0.003 sig.= 0.000
B    183 GLY C   . - B    184 ALA O   . mod.= 3.952 id.= 3.948 dev= -0.003 sig.= 0.000
B    183 GLY C   . - B    185 VAL N   . mod.= 4.298 id.= 4.295 dev= -0.002 sig.= 0.000
B    183 GLY C   . - B    185 VAL CA  . mod.= 5.610 id.= 5.606 dev= -0.004 sig.= 0.000
B    183 GLY C   . - B    204 VAL N   . mod.= 5.098 id.= 5.095 dev= -0.003 sig.= 0.000
B    183 GLY C   . - B    204 VAL O   . mod.= 5.878 id.= 5.882 dev=  0.004 sig.= 0.000
B    183 GLY C   . - B    225 THR C   . mod.= 5.837 id.= 5.839 dev=  0.002 sig.= 0.000
B    183 GLY C   . - B    228 ALA CA  . mod.= 5.400 id.= 5.398 dev= -0.002 sig.= 0.000
B    183 GLY O   . - B    184 ALA C   . mod.= 3.698 id.= 3.696 dev= -0.002 sig.= 0.000
B    183 GLY O   . - B    185 VAL N   . mod.= 4.203 id.= 4.200 dev= -0.003 sig.= 0.000
B    183 GLY O   . - B    185 VAL CA  . mod.= 5.536 id.= 5.533 dev= -0.003 sig.= 0.000
B    183 GLY O   . - B    204 VAL O   . mod.= 4.845 id.= 4.849 dev=  0.004 sig.= 0.000
B    183 GLY O   . - B    205 ALA N   . mod.= 3.077 id.= 3.074 dev= -0.002 sig.= 0.000
B    183 GLY O   . - B    205 ALA C   . mod.= 4.203 id.= 4.200 dev= -0.003 sig.= 0.000
B    183 GLY O   . - B    205 ALA O   . mod.= 3.366 id.= 3.363 dev= -0.003 sig.= 0.000
B    183 GLY O   . - B    206 PRO N   . mod.= 5.498 id.= 5.495 dev= -0.003 sig.= 0.000
B    184 ALA N   . - B    184 ALA O   . mod.= 2.900 id.= 2.893 dev= -0.007 sig.= 0.000
B    184 ALA N   . - B    185 VAL N   . mod.= 3.592 id.= 3.589 dev= -0.002 sig.= 0.000
B    184 ALA N   . - B    185 VAL CA  . mod.= 4.878 id.= 4.875 dev= -0.004 sig.= 0.000
B    184 ALA N   . - B    185 VAL O   . mod.= 5.815 id.= 5.818 dev=  0.003 sig.= 0.000
B    184 ALA N   . - B    192 ALA N   . mod.= 5.623 id.= 5.620 dev= -0.003 sig.= 0.000
B    184 ALA N   . - B    195 SER CA  . mod.= 5.200 id.= 5.202 dev=  0.003 sig.= 0.000
B    184 ALA N   . - B    196 ASN O   . mod.= 5.409 id.= 5.406 dev= -0.003 sig.= 0.000
B    184 ALA N   . - B    207 GLY N   . mod.= 5.943 id.= 5.945 dev=  0.002 sig.= 0.000
B    184 ALA N   . - B    224 GLY C   . mod.= 5.938 id.= 5.935 dev= -0.003 sig.= 0.000
B    184 ALA N   . - B    225 THR N   . mod.= 5.553 id.= 5.549 dev= -0.004 sig.= 0.000
B    184 ALA N   . - B    225 THR CA  . mod.= 4.765 id.= 4.761 dev= -0.004 sig.= 0.000
B    184 ALA N   . - B    225 THR O   . mod.= 5.744 id.= 5.742 dev= -0.003 sig.= 0.000
B    184 ALA N   . - B    228 ALA CA  . mod.= 5.703 id.= 5.700 dev= -0.004 sig.= 0.000
B    184 ALA CA  . - B    185 VAL CA  . mod.= 3.773 id.= 3.770 dev= -0.003 sig.= 0.000
B    184 ALA CA  . - B    185 VAL O   . mod.= 4.388 id.= 4.391 dev=  0.003 sig.= 0.000
B    184 ALA CA  . - B    192 ALA N   . mod.= 5.148 id.= 5.143 dev= -0.005 sig.= 0.000
B    184 ALA CA  . - B    192 ALA CA  . mod.= 5.628 id.= 5.620 dev= -0.008 sig.= 0.000
B    184 ALA CA  . - B    195 SER CA  . mod.= 5.809 id.= 5.812 dev=  0.003 sig.= 0.000
B    184 ALA CA  . - B    204 VAL CA  . mod.= 5.280 id.= 5.277 dev= -0.003 sig.= 0.000
B    184 ALA CA  . - B    206 PRO CA  . mod.= 5.509 id.= 5.506 dev= -0.003 sig.= 0.000
B    184 ALA CA  . - B    206 PRO C   . mod.= 5.120 id.= 5.122 dev=  0.002 sig.= 0.000
B    184 ALA CA  . - B    207 GLY N   . mod.= 4.580 id.= 4.582 dev=  0.002 sig.= 0.000
B    184 ALA CA  . - B    207 GLY C   . mod.= 5.447 id.= 5.449 dev=  0.002 sig.= 0.000
B    184 ALA CA  . - B    224 GLY C   . mod.= 5.632 id.= 5.628 dev= -0.003 sig.= 0.000
B    184 ALA CA  . - B    225 THR CA  . mod.= 5.037 id.= 5.034 dev= -0.003 sig.= 0.000
B    184 ALA CA  . - B    228 ALA N   . mod.= 5.842 id.= 5.839 dev= -0.003 sig.= 0.000
B    184 ALA CA  . - B    228 ALA CA  . mod.= 5.301 id.= 5.298 dev= -0.004 sig.= 0.000
B    184 ALA C   . - B    185 VAL C   . mod.= 3.443 id.= 3.446 dev=  0.003 sig.= 0.000
B    184 ALA C   . - B    185 VAL O   . mod.= 3.658 id.= 3.661 dev=  0.003 sig.= 0.000
B    184 ALA C   . - B    191 LEU N   . mod.= 5.601 id.= 5.597 dev= -0.003 sig.= 0.000
B    184 ALA C   . - B    191 LEU CA  . mod.= 4.669 id.= 4.656 dev= -0.013 sig.= 0.000
B    184 ALA C   . - B    192 ALA O   . mod.= 5.755 id.= 5.758 dev=  0.003 sig.= 0.000
B    184 ALA C   . - B    205 ALA N   . mod.= 4.913 id.= 4.915 dev=  0.002 sig.= 0.000
B    184 ALA C   . - B    206 PRO N   . mod.= 5.565 id.= 5.563 dev= -0.002 sig.= 0.000
B    184 ALA C   . - B    206 PRO CA  . mod.= 5.503 id.= 5.499 dev= -0.004 sig.= 0.000
B    184 ALA C   . - B    207 GLY N   . mod.= 4.825 id.= 4.823 dev= -0.003 sig.= 0.000
B    184 ALA C   . - B    207 GLY CA  . mod.= 5.254 id.= 5.248 dev= -0.005 sig.= 0.000
B    184 ALA C   . - B    207 GLY C   . mod.= 5.799 id.= 5.793 dev= -0.005 sig.= 0.000
B    184 ALA O   . - B    191 LEU CA  . mod.= 3.644 id.= 3.634 dev= -0.010 sig.= 0.000
B    184 ALA O   . - B    195 SER N   . mod.= 5.741 id.= 5.737 dev= -0.004 sig.= 0.000
B    184 ALA O   . - B    205 ALA N   . mod.= 5.903 id.= 5.910 dev=  0.007 sig.= 0.000
B    184 ALA O   . - B    207 GLY N   . mod.= 5.899 id.= 5.890 dev= -0.009 sig.= 0.000
B    185 VAL N   . - B    185 VAL O   . mod.= 2.625 id.= 2.628 dev=  0.003 sig.= 0.000
B    185 VAL N   . - B    186 ASP C   . mod.= 5.610 id.= 5.608 dev= -0.002 sig.= 0.000
B    185 VAL N   . - B    191 LEU CA  . mod.= 4.951 id.= 4.942 dev= -0.009 sig.= 0.000
B    185 VAL N   . - B    191 LEU C   . mod.= 5.268 id.= 5.270 dev=  0.003 sig.= 0.000
B    185 VAL N   . - B    192 ALA N   . mod.= 4.505 id.= 4.508 dev=  0.003 sig.= 0.000
B    185 VAL N   . - B    204 VAL CA  . mod.= 5.468 id.= 5.462 dev= -0.006 sig.= 0.000
B    185 VAL N   . - B    204 VAL C   . mod.= 5.344 id.= 5.339 dev= -0.005 sig.= 0.000
B    185 VAL N   . - B    206 PRO CA  . mod.= 4.444 id.= 4.441 dev= -0.003 sig.= 0.000
B    185 VAL CA  . - B    186 ASP O   . mod.= 4.267 id.= 4.265 dev= -0.002 sig.= 0.000
B    185 VAL CA  . - B    189 ASP N   . mod.= 5.835 id.= 5.829 dev= -0.006 sig.= 0.000
B    185 VAL CA  . - B    189 ASP C   . mod.= 5.091 id.= 5.086 dev= -0.005 sig.= 0.000
B    185 VAL CA  . - B    190 ARG N   . mod.= 4.914 id.= 4.912 dev= -0.002 sig.= 0.000
B    185 VAL CA  . - B    191 LEU N   . mod.= 4.549 id.= 4.552 dev=  0.003 sig.= 0.000
B    185 VAL CA  . - B    191 LEU CA  . mod.= 4.248 id.= 4.242 dev= -0.006 sig.= 0.000
B    185 VAL CA  . - B    191 LEU C   . mod.= 4.623 id.= 4.629 dev=  0.005 sig.= 0.000
B    185 VAL CA  . - B    192 ALA N   . mod.= 4.112 id.= 4.115 dev=  0.003 sig.= 0.000
B    185 VAL CA  . - B    192 ALA CA  . mod.= 4.957 id.= 4.960 dev=  0.003 sig.= 0.000
B    185 VAL CA  . - B    205 ALA N   . mod.= 5.452 id.= 5.454 dev=  0.002 sig.= 0.000
B    185 VAL CA  . - B    205 ALA O   . mod.= 3.990 id.= 3.993 dev=  0.003 sig.= 0.000
B    185 VAL CA  . - B    206 PRO C   . mod.= 5.323 id.= 5.327 dev=  0.005 sig.= 0.000
B    185 VAL CA  . - B    207 GLY N   . mod.= 4.800 id.= 4.802 dev=  0.002 sig.= 0.000
B    185 VAL C   . - B    186 ASP C   . mod.= 3.292 id.= 3.288 dev= -0.003 sig.= 0.000
B    185 VAL C   . - B    187 GLN CA  . mod.= 5.811 id.= 5.823 dev=  0.012 sig.= 0.000
B    185 VAL C   . - B    189 ASP N   . mod.= 5.521 id.= 5.518 dev= -0.002 sig.= 0.000
B    185 VAL C   . - B    189 ASP CA  . mod.= 5.432 id.= 5.436 dev=  0.004 sig.= 0.000
B    185 VAL C   . - B    191 LEU N   . mod.= 5.332 id.= 5.337 dev=  0.005 sig.= 0.000
B    185 VAL C   . - B    191 LEU CA  . mod.= 5.189 id.= 5.184 dev= -0.005 sig.= 0.000
B    185 VAL C   . - B    191 LEU C   . mod.= 5.232 id.= 5.235 dev=  0.003 sig.= 0.000
B    185 VAL C   . - B    191 LEU O   . mod.= 5.980 id.= 5.977 dev= -0.003 sig.= 0.000
B    185 VAL C   . - B    192 ALA CA  . mod.= 5.115 id.= 5.111 dev= -0.004 sig.= 0.000
B    185 VAL C   . - B    205 ALA O   . mod.= 4.421 id.= 4.425 dev=  0.004 sig.= 0.000
B    185 VAL C   . - B    206 PRO C   . mod.= 4.781 id.= 4.784 dev=  0.004 sig.= 0.000
B    185 VAL C   . - B    206 PRO O   . mod.= 5.921 id.= 5.923 dev=  0.002 sig.= 0.000
B    185 VAL C   . - B    208 VAL CA  . mod.= 5.514 id.= 5.509 dev= -0.005 sig.= 0.000
B    185 VAL O   . - B    186 ASP CA  . mod.= 2.756 id.= 2.752 dev= -0.003 sig.= 0.000
B    185 VAL O   . - B    186 ASP C   . mod.= 3.493 id.= 3.491 dev= -0.002 sig.= 0.000
B    185 VAL O   . - B    186 ASP O   . mod.= 3.585 id.= 3.587 dev=  0.002 sig.= 0.000
B    185 VAL O   . - B    187 GLN CA  . mod.= 5.866 id.= 5.888 dev=  0.022 sig.= 0.000
B    185 VAL O   . - B    192 ALA N   . mod.= 5.408 id.= 5.406 dev= -0.002 sig.= 0.000
B    185 VAL O   . - B    192 ALA CA  . mod.= 5.676 id.= 5.669 dev= -0.007 sig.= 0.000
B    185 VAL O   . - B    205 ALA C   . mod.= 4.561 id.= 4.559 dev= -0.002 sig.= 0.000
B    185 VAL O   . - B    206 PRO N   . mod.= 4.412 id.= 4.408 dev= -0.004 sig.= 0.000
B    185 VAL O   . - B    206 PRO CA  . mod.= 3.490 id.= 3.485 dev= -0.005 sig.= 0.000
B    185 VAL O   . - B    208 VAL CA  . mod.= 4.614 id.= 4.612 dev= -0.003 sig.= 0.000
B    185 VAL O   . - B    208 VAL O   . mod.= 5.482 id.= 5.479 dev= -0.003 sig.= 0.000
B    186 ASP N   . - B    187 GLN CA  . mod.= 4.985 id.= 4.991 dev=  0.006 sig.= 0.000
B    186 ASP N   . - B    188 TYR N   . mod.= 4.976 id.= 4.973 dev= -0.002 sig.= 0.000
B    186 ASP N   . - B    188 TYR CA  . mod.= 5.874 id.= 5.865 dev= -0.009 sig.= 0.000
B    186 ASP N   . - B    189 ASP N   . mod.= 4.692 id.= 4.689 dev= -0.003 sig.= 0.000
B    186 ASP N   . - B    189 ASP C   . mod.= 4.782 id.= 4.779 dev= -0.003 sig.= 0.000
B    186 ASP N   . - B    190 ARG N   . mod.= 4.196 id.= 4.193 dev= -0.003 sig.= 0.000
B    186 ASP N   . - B    191 LEU N   . mod.= 4.983 id.= 4.988 dev=  0.005 sig.= 0.000
B    186 ASP N   . - B    191 LEU CA  . mod.= 5.130 id.= 5.126 dev= -0.004 sig.= 0.000
B    186 ASP N   . - B    191 LEU C   . mod.= 5.069 id.= 5.073 dev=  0.004 sig.= 0.000
B    186 ASP N   . - B    191 LEU O   . mod.= 5.574 id.= 5.571 dev= -0.003 sig.= 0.000
B    186 ASP N   . - B    206 PRO C   . mod.= 5.832 id.= 5.835 dev=  0.003 sig.= 0.000
B    186 ASP N   . - B    208 VAL CA  . mod.= 5.737 id.= 5.733 dev= -0.004 sig.= 0.000
B    186 ASP CA  . - B    187 GLN O   . mod.= 5.777 id.= 5.774 dev= -0.003 sig.= 0.000
B    186 ASP CA  . - B    188 TYR CA  . mod.= 5.489 id.= 5.481 dev= -0.009 sig.= 0.000
B    186 ASP CA  . - B    188 TYR C   . mod.= 5.606 id.= 5.610 dev=  0.003 sig.= 0.000
B    186 ASP CA  . - B    190 ARG CA  . mod.= 5.582 id.= 5.587 dev=  0.005 sig.= 0.000
B    186 ASP CA  . - B    206 PRO CA  . mod.= 5.572 id.= 5.565 dev= -0.007 sig.= 0.000
B    186 ASP CA  . - B    206 PRO C   . mod.= 5.990 id.= 5.988 dev= -0.003 sig.= 0.000
B    186 ASP CA  . - B    207 GLY N   . mod.= 5.264 id.= 5.261 dev= -0.003 sig.= 0.000
B    186 ASP CA  . - B    208 VAL N   . mod.= 4.875 id.= 4.873 dev= -0.002 sig.= 0.000
B    186 ASP CA  . - B    208 VAL CA  . mod.= 5.052 id.= 5.048 dev= -0.004 sig.= 0.000
B    186 ASP CA  . - B    208 VAL C   . mod.= 5.737 id.= 5.735 dev= -0.002 sig.= 0.000
B    186 ASP CA  . - B    208 VAL O   . mod.= 5.370 id.= 5.367 dev= -0.003 sig.= 0.000
B    186 ASP C   . - B    188 TYR CA  . mod.= 4.523 id.= 4.525 dev=  0.002 sig.= 0.000
B    186 ASP C   . - B    188 TYR C   . mod.= 4.790 id.= 4.795 dev=  0.005 sig.= 0.000
B    186 ASP C   . - B    188 TYR O   . mod.= 5.914 id.= 5.919 dev=  0.005 sig.= 0.000
B    186 ASP C   . - B    189 ASP N   . mod.= 4.070 id.= 4.072 dev=  0.003 sig.= 0.000
B    186 ASP C   . - B    189 ASP C   . mod.= 5.429 id.= 5.432 dev=  0.003 sig.= 0.000
B    186 ASP C   . - B    190 ARG N   . mod.= 4.985 id.= 4.989 dev=  0.004 sig.= 0.000
B    186 ASP C   . - B    190 ARG CA  . mod.= 5.969 id.= 5.977 dev=  0.007 sig.= 0.000
B    186 ASP C   . - B    190 ARG C   . mod.= 5.785 id.= 5.789 dev=  0.004 sig.= 0.000
B    186 ASP C   . - B    190 ARG O   . mod.= 4.753 id.= 4.757 dev=  0.004 sig.= 0.000
B    186 ASP C   . - B    206 PRO CA  . mod.= 5.411 id.= 5.406 dev= -0.005 sig.= 0.000
B    186 ASP C   . - B    208 VAL N   . mod.= 5.592 id.= 5.598 dev=  0.006 sig.= 0.000
B    186 ASP C   . - B    208 VAL CA  . mod.= 5.877 id.= 5.883 dev=  0.006 sig.= 0.000
B    186 ASP C   . - B    208 VAL O   . mod.= 5.604 id.= 5.611 dev=  0.007 sig.= 0.000
B    186 ASP O   . - B    187 GLN CA  . mod.= 2.932 id.= 2.950 dev=  0.018 sig.= 0.000
B    186 ASP O   . - B    187 GLN C   . mod.= 3.241 id.= 3.237 dev= -0.004 sig.= 0.000
B    186 ASP O   . - B    187 GLN O   . mod.= 4.124 id.= 4.129 dev=  0.004 sig.= 0.000
B    186 ASP O   . - B    188 TYR N   . mod.= 3.265 id.= 3.261 dev= -0.005 sig.= 0.000
B    186 ASP O   . - B    188 TYR CA  . mod.= 4.305 id.= 4.313 dev=  0.008 sig.= 0.000
B    186 ASP O   . - B    188 TYR O   . mod.= 5.425 id.= 5.429 dev=  0.004 sig.= 0.000
B    186 ASP O   . - B    189 ASP CA  . mod.= 3.963 id.= 3.966 dev=  0.003 sig.= 0.000
B    186 ASP O   . - B    189 ASP O   . mod.= 5.792 id.= 5.795 dev=  0.003 sig.= 0.000
B    186 ASP O   . - B    206 PRO N   . mod.= 5.792 id.= 5.798 dev=  0.006 sig.= 0.000
B    186 ASP O   . - B    206 PRO CA  . mod.= 5.025 id.= 5.034 dev=  0.009 sig.= 0.000
B    186 ASP O   . - B    207 GLY N   . mod.= 5.779 id.= 5.790 dev=  0.011 sig.= 0.000
B    187 GLN N   . - B    188 TYR CA  . mod.= 4.239 id.= 4.235 dev= -0.004 sig.= 0.000
B    187 GLN N   . - B    188 TYR C   . mod.= 4.913 id.= 4.917 dev=  0.004 sig.= 0.000
B    187 GLN N   . - B    189 ASP N   . mod.= 4.511 id.= 4.516 dev=  0.004 sig.= 0.000
B    187 GLN N   . - B    190 ARG O   . mod.= 5.744 id.= 5.742 dev= -0.002 sig.= 0.000
B    187 GLN N   . - B    208 VAL O   . mod.= 5.434 id.= 5.444 dev=  0.011 sig.= 0.000
B    187 GLN CA  . - B    188 TYR CA  . mod.= 3.850 id.= 3.828 dev= -0.022 sig.= 0.000
B    187 GLN CA  . - B    188 TYR C   . mod.= 4.777 id.= 4.762 dev= -0.015 sig.= 0.000
B    187 GLN CA  . - B    188 TYR O   . mod.= 5.950 id.= 5.933 dev= -0.017 sig.= 0.000
B    187 GLN CA  . - B    189 ASP N   . mod.= 4.558 id.= 4.555 dev= -0.003 sig.= 0.000
B    187 GLN C   . - B    189 ASP CA  . mod.= 4.924 id.= 4.916 dev= -0.009 sig.= 0.000
B    187 GLN C   . - B    189 ASP C   . mod.= 5.926 id.= 5.924 dev= -0.002 sig.= 0.000
B    187 GLN O   . - B    188 TYR CA  . mod.= 2.818 id.= 2.829 dev=  0.011 sig.= 0.000
B    187 GLN O   . - B    188 TYR C   . mod.= 3.829 id.= 3.824 dev= -0.005 sig.= 0.000
B    187 GLN O   . - B    189 ASP N   . mod.= 3.983 id.= 3.986 dev=  0.003 sig.= 0.000
B    188 TYR N   . - B    189 ASP CA  . mod.= 4.208 id.= 4.200 dev= -0.008 sig.= 0.000
B    188 TYR N   . - B    190 ARG CA  . mod.= 5.780 id.= 5.784 dev=  0.004 sig.= 0.000
B    188 TYR CA  . - B    189 ASP CA  . mod.= 3.826 id.= 3.834 dev=  0.009 sig.= 0.000
B    188 TYR CA  . - B    189 ASP C   . mod.= 4.557 id.= 4.562 dev=  0.005 sig.= 0.000
B    188 TYR CA  . - B    189 ASP O   . mod.= 5.643 id.= 5.649 dev=  0.006 sig.= 0.000
B    188 TYR CA  . - B    190 ARG N   . mod.= 4.339 id.= 4.331 dev= -0.007 sig.= 0.000
B    188 TYR CA  . - B    190 ARG CA  . mod.= 5.508 id.= 5.496 dev= -0.012 sig.= 0.000
B    188 TYR C   . - B    190 ARG N   . mod.= 3.250 id.= 3.253 dev=  0.003 sig.= 0.000
B    188 TYR C   . - B    190 ARG CA  . mod.= 4.511 id.= 4.514 dev=  0.003 sig.= 0.000
B    188 TYR O   . - B    189 ASP C   . mod.= 3.225 id.= 3.230 dev=  0.005 sig.= 0.000
B    188 TYR O   . - B    189 ASP O   . mod.= 4.005 id.= 4.009 dev=  0.004 sig.= 0.000
B    188 TYR O   . - B    190 ARG CA  . mod.= 4.371 id.= 4.368 dev= -0.003 sig.= 0.000
B    188 TYR O   . - B    190 ARG C   . mod.= 5.634 id.= 5.630 dev= -0.004 sig.= 0.000
B    188 TYR O   . - B    190 ARG O   . mod.= 5.816 id.= 5.812 dev= -0.004 sig.= 0.000
B    189 ASP N   . - B    190 ARG N   . mod.= 2.810 id.= 2.812 dev=  0.002 sig.= 0.000
B    189 ASP CA  . - B    190 ARG CA  . mod.= 3.805 id.= 3.803 dev= -0.002 sig.= 0.000
B    189 ASP CA  . - B    191 LEU N   . mod.= 5.470 id.= 5.473 dev=  0.003 sig.= 0.000
B    189 ASP O   . - B    190 ARG C   . mod.= 3.450 id.= 3.454 dev=  0.004 sig.= 0.000
B    189 ASP O   . - B    190 ARG O   . mod.= 4.071 id.= 4.074 dev=  0.003 sig.= 0.000
B    189 ASP O   . - B    191 LEU CA  . mod.= 5.183 id.= 5.187 dev=  0.003 sig.= 0.000
B    189 ASP O   . - B    261 SER N   . mod.= 5.725 id.= 5.727 dev=  0.003 sig.= 0.000
B    189 ASP O   . - B    261 SER C   . mod.= 5.966 id.= 5.975 dev=  0.009 sig.= 0.000
B    189 ASP O   . - B    261 SER O   . mod.= 4.967 id.= 4.972 dev=  0.006 sig.= 0.000
B    190 ARG N   . - B    190 ARG O   . mod.= 2.638 id.= 2.635 dev= -0.003 sig.= 0.000
B    190 ARG N   . - B    191 LEU N   . mod.= 3.496 id.= 3.499 dev=  0.002 sig.= 0.000
B    190 ARG N   . - B    191 LEU O   . mod.= 5.473 id.= 5.469 dev= -0.005 sig.= 0.000
B    190 ARG CA  . - B    191 LEU CA  . mod.= 3.829 id.= 3.831 dev=  0.003 sig.= 0.000
B    190 ARG CA  . - B    192 ALA N   . mod.= 5.315 id.= 5.309 dev= -0.006 sig.= 0.000
B    190 ARG C   . - B    191 LEU C   . mod.= 3.064 id.= 3.066 dev=  0.003 sig.= 0.000
B    190 ARG C   . - B    192 ALA N   . mod.= 3.855 id.= 3.850 dev= -0.005 sig.= 0.000
B    190 ARG C   . - B    192 ALA CA  . mod.= 4.929 id.= 4.932 dev=  0.002 sig.= 0.000
B    190 ARG O   . - B    191 LEU C   . mod.= 3.077 id.= 3.081 dev=  0.004 sig.= 0.000
B    190 ARG O   . - B    192 ALA N   . mod.= 3.457 id.= 3.453 dev= -0.004 sig.= 0.000
B    191 LEU N   . - B    191 LEU O   . mod.= 2.797 id.= 2.803 dev=  0.007 sig.= 0.000
B    191 LEU N   . - B    192 ALA CA  . mod.= 4.749 id.= 4.757 dev=  0.008 sig.= 0.000
B    191 LEU N   . - B    192 ALA C   . mod.= 5.521 id.= 5.526 dev=  0.005 sig.= 0.000
B    191 LEU N   . - B    192 ALA O   . mod.= 5.666 id.= 5.660 dev= -0.006 sig.= 0.000
B    191 LEU N   . - B    261 SER O   . mod.= 5.859 id.= 5.891 dev=  0.032 sig.= 0.000
B    191 LEU CA  . - B    192 ALA O   . mod.= 4.419 id.= 4.412 dev= -0.008 sig.= 0.000
B    191 LEU CA  . - B    193 SER N   . mod.= 5.460 id.= 5.462 dev=  0.002 sig.= 0.000
B    191 LEU C   . - B    192 ALA O   . mod.= 3.275 id.= 3.267 dev= -0.008 sig.= 0.000
B    191 LEU C   . - B    193 SER CA  . mod.= 5.116 id.= 5.118 dev=  0.002 sig.= 0.000
B    191 LEU O   . - B    192 ALA CA  . mod.= 2.815 id.= 2.819 dev=  0.003 sig.= 0.000
B    191 LEU O   . - B    192 ALA O   . mod.= 3.581 id.= 3.575 dev= -0.007 sig.= 0.000
B    191 LEU O   . - B    193 SER CA  . mod.= 4.707 id.= 4.710 dev=  0.003 sig.= 0.000
B    191 LEU O   . - B    193 SER C   . mod.= 5.865 id.= 5.861 dev= -0.004 sig.= 0.000
B    192 ALA N   . - B    193 SER N   . mod.= 3.563 id.= 3.560 dev= -0.002 sig.= 0.000
B    192 ALA N   . - B    194 PHE N   . mod.= 5.546 id.= 5.548 dev=  0.002 sig.= 0.000
B    192 ALA CA  . - B    193 SER CA  . mod.= 3.865 id.= 3.862 dev= -0.004 sig.= 0.000
B    192 ALA CA  . - B    193 SER C   . mod.= 4.563 id.= 4.565 dev=  0.002 sig.= 0.000
B    192 ALA CA  . - B    193 SER O   . mod.= 5.524 id.= 5.521 dev= -0.003 sig.= 0.000
B    192 ALA CA  . - B    194 PHE CA  . mod.= 5.462 id.= 5.465 dev=  0.003 sig.= 0.000
B    192 ALA CA  . - B    194 PHE C   . mod.= 5.511 id.= 5.517 dev=  0.006 sig.= 0.000
B    192 ALA CA  . - B    195 SER CA  . mod.= 5.218 id.= 5.221 dev=  0.002 sig.= 0.000
B    192 ALA C   . - B    193 SER O   . mod.= 4.032 id.= 4.027 dev= -0.004 sig.= 0.000
B    192 ALA C   . - B    194 PHE N   . mod.= 3.228 id.= 3.226 dev= -0.002 sig.= 0.000
B    192 ALA C   . - B    194 PHE CA  . mod.= 4.391 id.= 4.388 dev= -0.002 sig.= 0.000
B    192 ALA O   . - B    193 SER CA  . mod.= 2.912 id.= 2.917 dev=  0.004 sig.= 0.000
B    192 ALA O   . - B    193 SER O   . mod.= 3.707 id.= 3.700 dev= -0.007 sig.= 0.000
B    192 ALA O   . - B    194 PHE N   . mod.= 3.339 id.= 3.337 dev= -0.002 sig.= 0.000
B    192 ALA O   . - B    194 PHE CA  . mod.= 4.250 id.= 4.246 dev= -0.004 sig.= 0.000
B    192 ALA O   . - B    194 PHE C   . mod.= 4.020 id.= 4.017 dev= -0.003 sig.= 0.000
B    192 ALA O   . - B    194 PHE O   . mod.= 5.129 id.= 5.125 dev= -0.003 sig.= 0.000
B    192 ALA O   . - B    195 SER N   . mod.= 2.993 id.= 2.988 dev= -0.005 sig.= 0.000
B    192 ALA O   . - B    195 SER C   . mod.= 4.430 id.= 4.426 dev= -0.003 sig.= 0.000
B    192 ALA O   . - B    195 SER O   . mod.= 4.190 id.= 4.185 dev= -0.005 sig.= 0.000
B    192 ALA O   . - B    196 ASN N   . mod.= 5.700 id.= 5.697 dev= -0.002 sig.= 0.000
B    193 SER N   . - B    193 SER O   . mod.= 3.587 id.= 3.590 dev=  0.003 sig.= 0.000
B    193 SER CA  . - B    194 PHE CA  . mod.= 3.810 id.= 3.802 dev= -0.008 sig.= 0.000
B    193 SER CA  . - B    194 PHE C   . mod.= 4.562 id.= 4.556 dev= -0.005 sig.= 0.000
B    193 SER CA  . - B    194 PHE O   . mod.= 5.724 id.= 5.718 dev= -0.006 sig.= 0.000
B    193 SER CA  . - B    195 SER CA  . mod.= 5.616 id.= 5.619 dev=  0.003 sig.= 0.000
B    193 SER CA  . - B    195 SER O   . mod.= 5.825 id.= 5.836 dev=  0.011 sig.= 0.000
B    193 SER C   . - B    194 PHE C   . mod.= 3.254 id.= 3.251 dev= -0.004 sig.= 0.000
B    193 SER C   . - B    194 PHE O   . mod.= 4.344 id.= 4.340 dev= -0.004 sig.= 0.000
B    193 SER C   . - B    195 SER CA  . mod.= 4.730 id.= 4.733 dev=  0.002 sig.= 0.000
B    193 SER C   . - B    195 SER C   . mod.= 5.325 id.= 5.328 dev=  0.003 sig.= 0.000
B    193 SER C   . - B    195 SER O   . mod.= 4.944 id.= 4.949 dev=  0.005 sig.= 0.000
B    193 SER O   . - B    194 PHE C   . mod.= 3.355 id.= 3.350 dev= -0.005 sig.= 0.000
B    193 SER O   . - B    194 PHE O   . mod.= 4.258 id.= 4.253 dev= -0.004 sig.= 0.000
B    193 SER O   . - B    195 SER O   . mod.= 4.468 id.= 4.473 dev=  0.005 sig.= 0.000
B    194 PHE N   . - B    194 PHE O   . mod.= 3.604 id.= 3.601 dev= -0.003 sig.= 0.000
B    194 PHE N   . - B    195 SER O   . mod.= 5.068 id.= 5.072 dev=  0.004 sig.= 0.000
B    194 PHE CA  . - B    195 SER CA  . mod.= 3.833 id.= 3.831 dev= -0.003 sig.= 0.000
B    194 PHE C   . - B    196 ASN CA  . mod.= 5.390 id.= 5.393 dev=  0.003 sig.= 0.000
B    194 PHE O   . - B    195 SER CA  . mod.= 2.715 id.= 2.718 dev=  0.003 sig.= 0.000
B    194 PHE O   . - B    195 SER C   . mod.= 3.202 id.= 3.205 dev=  0.003 sig.= 0.000
B    194 PHE O   . - B    195 SER O   . mod.= 3.737 id.= 3.740 dev=  0.003 sig.= 0.000
B    194 PHE O   . - B    196 ASN N   . mod.= 3.788 id.= 3.791 dev=  0.003 sig.= 0.000
B    194 PHE O   . - B    196 ASN CA  . mod.= 4.975 id.= 4.978 dev=  0.004 sig.= 0.000
B    195 SER N   . - B    196 ASN CA  . mod.= 4.973 id.= 4.977 dev=  0.003 sig.= 0.000
B    195 SER N   . - B    196 ASN O   . mod.= 5.396 id.= 5.399 dev=  0.002 sig.= 0.000
B    195 SER CA  . - B    196 ASN O   . mod.= 4.050 id.= 4.053 dev=  0.003 sig.= 0.000
B    195 SER CA  . - B    197 TYR N   . mod.= 5.428 id.= 5.430 dev=  0.002 sig.= 0.000
B    195 SER C   . - B    196 ASN O   . mod.= 3.166 id.= 3.170 dev=  0.005 sig.= 0.000
B    195 SER C   . - B    197 TYR CA  . mod.= 5.092 id.= 5.099 dev=  0.007 sig.= 0.000
B    195 SER O   . - B    196 ASN CA  . mod.= 2.814 id.= 2.825 dev=  0.011 sig.= 0.000
B    195 SER O   . - B    196 ASN O   . mod.= 3.515 id.= 3.523 dev=  0.008 sig.= 0.000
B    195 SER O   . - B    197 TYR N   . mod.= 3.899 id.= 3.897 dev= -0.002 sig.= 0.000
B    195 SER O   . - B    197 TYR CA  . mod.= 4.803 id.= 4.821 dev=  0.018 sig.= 0.000
B    196 ASN N   . - B    197 TYR N   . mod.= 3.564 id.= 3.567 dev=  0.003 sig.= 0.000
B    196 ASN N   . - B    197 TYR CA  . mod.= 4.751 id.= 4.748 dev= -0.003 sig.= 0.000
B    196 ASN CA  . - B    197 TYR CA  . mod.= 3.797 id.= 3.793 dev= -0.004 sig.= 0.000
B    196 ASN CA  . - B    197 TYR C   . mod.= 4.796 id.= 4.793 dev= -0.002 sig.= 0.000
B    196 ASN CA  . - B    197 TYR O   . mod.= 4.792 id.= 4.788 dev= -0.003 sig.= 0.000
B    196 ASN O   . - B    197 TYR CA  . mod.= 2.741 id.= 2.733 dev= -0.008 sig.= 0.000
B    196 ASN O   . - B    197 TYR O   . mod.= 4.694 id.= 4.697 dev=  0.003 sig.= 0.000
B    196 ASN O   . - B    198 GLY N   . mod.= 4.929 id.= 4.931 dev=  0.002 sig.= 0.000
B    196 ASN O   . - B    266 TYR O   . mod.= 4.881 id.= 4.883 dev=  0.002 sig.= 0.000
B    197 TYR N   . - B    197 TYR O   . mod.= 2.668 id.= 2.672 dev=  0.003 sig.= 0.000
B    197 TYR N   . - B    198 GLY C   . mod.= 5.704 id.= 5.711 dev=  0.007 sig.= 0.000
B    197 TYR N   . - B    198 GLY O   . mod.= 5.465 id.= 5.476 dev=  0.011 sig.= 0.000
B    197 TYR N   . - B    266 TYR C   . mod.= 5.883 id.= 5.880 dev= -0.003 sig.= 0.000
B    197 TYR CA  . - B    198 GLY CA  . mod.= 3.750 id.= 3.752 dev=  0.003 sig.= 0.000
B    197 TYR CA  . - B    198 GLY O   . mod.= 4.329 id.= 4.325 dev= -0.004 sig.= 0.000
B    197 TYR CA  . - B    199 THR N   . mod.= 5.861 id.= 5.865 dev=  0.004 sig.= 0.000
B    197 TYR CA  . - B    265 THR O   . mod.= 5.925 id.= 5.930 dev=  0.005 sig.= 0.000
B    197 TYR CA  . - B    266 TYR O   . mod.= 3.454 id.= 3.450 dev= -0.004 sig.= 0.000
B    197 TYR C   . - B    198 GLY C   . mod.= 3.430 id.= 3.427 dev= -0.002 sig.= 0.000
B    197 TYR C   . - B    200 TRP N   . mod.= 5.849 id.= 5.847 dev= -0.002 sig.= 0.000
B    197 TYR C   . - B    201 VAL N   . mod.= 5.434 id.= 5.432 dev= -0.002 sig.= 0.000
B    197 TYR C   . - B    201 VAL CA  . mod.= 5.776 id.= 5.774 dev= -0.002 sig.= 0.000
B    197 TYR O   . - B    199 THR N   . mod.= 4.983 id.= 4.985 dev=  0.002 sig.= 0.000
B    198 GLY N   . - B    199 THR N   . mod.= 3.558 id.= 3.560 dev=  0.002 sig.= 0.000
B    198 GLY N   . - B    201 VAL CA  . mod.= 5.491 id.= 5.488 dev= -0.003 sig.= 0.000
B    198 GLY N   . - B    266 TYR CA  . mod.= 3.782 id.= 3.779 dev= -0.002 sig.= 0.000
B    198 GLY CA  . - B    199 THR CA  . mod.= 3.801 id.= 3.806 dev=  0.005 sig.= 0.000
B    198 GLY CA  . - B    199 THR C   . mod.= 4.615 id.= 4.618 dev=  0.002 sig.= 0.000
B    198 GLY CA  . - B    200 TRP CA  . mod.= 5.465 id.= 5.460 dev= -0.005 sig.= 0.000
B    198 GLY CA  . - B    201 VAL CA  . mod.= 5.757 id.= 5.755 dev= -0.002 sig.= 0.000
B    198 GLY CA  . - B    265 THR CA  . mod.= 5.804 id.= 5.802 dev= -0.002 sig.= 0.000
B    198 GLY CA  . - B    267 PHE N   . mod.= 4.798 id.= 4.801 dev=  0.003 sig.= 0.000
B    198 GLY CA  . - B    267 PHE CA  . mod.= 5.313 id.= 5.316 dev=  0.002 sig.= 0.000
B    198 GLY C   . - B    199 THR C   . mod.= 3.253 id.= 3.255 dev=  0.002 sig.= 0.000
B    198 GLY C   . - B    200 TRP CA  . mod.= 4.459 id.= 4.457 dev= -0.002 sig.= 0.000
B    198 GLY C   . - B    200 TRP O   . mod.= 5.906 id.= 5.903 dev= -0.003 sig.= 0.000
B    198 GLY C   . - B    201 VAL CA  . mod.= 4.806 id.= 4.803 dev= -0.003 sig.= 0.000
B    198 GLY C   . - B    265 THR CA  . mod.= 5.580 id.= 5.574 dev= -0.006 sig.= 0.000
B    198 GLY C   . - B    266 TYR CA  . mod.= 4.410 id.= 4.405 dev= -0.004 sig.= 0.000
B    198 GLY C   . - B    266 TYR C   . mod.= 3.774 id.= 3.771 dev= -0.003 sig.= 0.000
B    198 GLY C   . - B    267 PHE C   . mod.= 4.940 id.= 4.942 dev=  0.002 sig.= 0.000
B    198 GLY C   . - B    268 LYS N   . mod.= 5.230 id.= 5.233 dev=  0.003 sig.= 0.000
B    198 GLY O   . - B    199 THR CA  . mod.= 2.800 id.= 2.804 dev=  0.004 sig.= 0.000
B    198 GLY O   . - B    199 THR C   . mod.= 3.253 id.= 3.256 dev=  0.004 sig.= 0.000
B    198 GLY O   . - B    200 TRP O   . mod.= 5.227 id.= 5.223 dev= -0.004 sig.= 0.000
B    198 GLY O   . - B    201 VAL CA  . mod.= 3.713 id.= 3.707 dev= -0.006 sig.= 0.000
B    198 GLY O   . - B    266 TYR CA  . mod.= 4.420 id.= 4.414 dev= -0.006 sig.= 0.000
B    198 GLY O   . - B    266 TYR C   . mod.= 3.382 id.= 3.380 dev= -0.002 sig.= 0.000
B    198 GLY O   . - B    268 LYS N   . mod.= 4.496 id.= 4.498 dev=  0.002 sig.= 0.000
B    199 THR N   . - B    200 TRP CA  . mod.= 4.219 id.= 4.216 dev= -0.002 sig.= 0.000
B    199 THR N   . - B    201 VAL O   . mod.= 5.212 id.= 5.214 dev=  0.002 sig.= 0.000
B    199 THR N   . - B    265 THR CA  . mod.= 5.369 id.= 5.360 dev= -0.009 sig.= 0.000
B    199 THR N   . - B    266 TYR O   . mod.= 4.800 id.= 4.803 dev=  0.003 sig.= 0.000
B    199 THR N   . - B    267 PHE N   . mod.= 4.700 id.= 4.702 dev=  0.002 sig.= 0.000
B    199 THR N   . - B    267 PHE CA  . mod.= 4.876 id.= 4.879 dev=  0.003 sig.= 0.000
B    199 THR N   . - B    267 PHE C   . mod.= 5.104 id.= 5.106 dev=  0.002 sig.= 0.000
B    199 THR N   . - B    268 LYS CA  . mod.= 5.897 id.= 5.900 dev=  0.003 sig.= 0.000
B    199 THR CA  . - B    200 TRP C   . mod.= 4.430 id.= 4.426 dev= -0.005 sig.= 0.000
B    199 THR CA  . - B    200 TRP O   . mod.= 5.542 id.= 5.535 dev= -0.007 sig.= 0.000
B    199 THR CA  . - B    201 VAL CA  . mod.= 5.227 id.= 5.221 dev= -0.006 sig.= 0.000
B    199 THR CA  . - B    201 VAL C   . mod.= 5.233 id.= 5.228 dev= -0.005 sig.= 0.000
B    199 THR CA  . - B    201 VAL O   . mod.= 4.535 id.= 4.533 dev= -0.003 sig.= 0.000
B    199 THR CA  . - B    265 THR CA  . mod.= 5.666 id.= 5.657 dev= -0.009 sig.= 0.000
B    199 THR CA  . - B    266 TYR CA  . mod.= 5.837 id.= 5.834 dev= -0.003 sig.= 0.000
B    199 THR CA  . - B    268 LYS N   . mod.= 4.320 id.= 4.317 dev= -0.003 sig.= 0.000
B    199 THR C   . - B    201 VAL N   . mod.= 3.236 id.= 3.241 dev=  0.005 sig.= 0.000
B    199 THR C   . - B    201 VAL O   . mod.= 4.057 id.= 4.059 dev=  0.002 sig.= 0.000
B    199 THR C   . - B    202 ASP CA  . mod.= 5.978 id.= 5.981 dev=  0.003 sig.= 0.000
B    199 THR C   . - B    265 THR O   . mod.= 5.895 id.= 5.893 dev= -0.003 sig.= 0.000
B    199 THR C   . - B    267 PHE O   . mod.= 5.765 id.= 5.762 dev= -0.003 sig.= 0.000
B    199 THR O   . - B    200 TRP CA  . mod.= 2.844 id.= 2.850 dev=  0.007 sig.= 0.000
B    199 THR O   . - B    200 TRP C   . mod.= 3.294 id.= 3.292 dev= -0.002 sig.= 0.000
B    199 THR O   . - B    200 TRP O   . mod.= 4.057 id.= 4.053 dev= -0.004 sig.= 0.000
B    199 THR O   . - B    201 VAL CA  . mod.= 4.565 id.= 4.562 dev= -0.003 sig.= 0.000
B    199 THR O   . - B    201 VAL C   . mod.= 4.217 id.= 4.215 dev= -0.003 sig.= 0.000
B    199 THR O   . - B    202 ASP N   . mod.= 4.894 id.= 4.892 dev= -0.003 sig.= 0.000
B    199 THR O   . - B    267 PHE O   . mod.= 5.653 id.= 5.651 dev= -0.002 sig.= 0.000
B    200 TRP N   . - B    200 TRP O   . mod.= 3.575 id.= 3.570 dev= -0.005 sig.= 0.000
B    200 TRP N   . - B    201 VAL CA  . mod.= 4.154 id.= 4.151 dev= -0.003 sig.= 0.000
B    200 TRP N   . - B    201 VAL C   . mod.= 4.590 id.= 4.588 dev= -0.002 sig.= 0.000
B    200 TRP N   . - B    202 ASP N   . mod.= 5.472 id.= 5.469 dev= -0.003 sig.= 0.000
B    200 TRP CA  . - B    201 VAL C   . mod.= 4.422 id.= 4.425 dev=  0.003 sig.= 0.000
B    200 TRP CA  . - B    201 VAL O   . mod.= 4.672 id.= 4.677 dev=  0.006 sig.= 0.000
B    200 TRP CA  . - B    202 ASP N   . mod.= 5.024 id.= 5.028 dev=  0.004 sig.= 0.000
B    200 TRP CA  . - B    202 ASP CA  . mod.= 5.939 id.= 5.948 dev=  0.009 sig.= 0.000
B    200 TRP C   . - B    202 ASP CA  . mod.= 4.731 id.= 4.734 dev=  0.003 sig.= 0.000
B    200 TRP O   . - B    201 VAL CA  . mod.= 2.780 id.= 2.783 dev=  0.003 sig.= 0.000
B    200 TRP O   . - B    202 ASP CA  . mod.= 4.381 id.= 4.385 dev=  0.003 sig.= 0.000
B    201 VAL N   . - B    202 ASP CA  . mod.= 4.532 id.= 4.535 dev=  0.003 sig.= 0.000
B    201 VAL CA  . - B    202 ASP CA  . mod.= 3.802 id.= 3.804 dev=  0.002 sig.= 0.000
B    201 VAL CA  . - B    203 VAL CA  . mod.= 5.927 id.= 5.918 dev= -0.009 sig.= 0.000
B    201 VAL CA  . - B    203 VAL O   . mod.= 5.279 id.= 5.277 dev= -0.002 sig.= 0.000
B    201 VAL CA  . - B    266 TYR C   . mod.= 5.979 id.= 5.976 dev= -0.003 sig.= 0.000
B    201 VAL CA  . - B    267 PHE N   . mod.= 5.881 id.= 5.877 dev= -0.004 sig.= 0.000
B    201 VAL CA  . - B    267 PHE CA  . mod.= 4.859 id.= 4.855 dev= -0.004 sig.= 0.000
B    201 VAL CA  . - B    267 PHE C   . mod.= 5.536 id.= 5.532 dev= -0.004 sig.= 0.000
B    201 VAL CA  . - B    268 LYS N   . mod.= 5.048 id.= 5.045 dev= -0.003 sig.= 0.000
B    201 VAL C   . - B    203 VAL CA  . mod.= 4.802 id.= 4.796 dev= -0.006 sig.= 0.000
B    201 VAL C   . - B    266 TYR O   . mod.= 5.544 id.= 5.547 dev=  0.003 sig.= 0.000
B    201 VAL C   . - B    267 PHE O   . mod.= 5.934 id.= 5.932 dev= -0.002 sig.= 0.000
B    201 VAL C   . - B    268 LYS CA  . mod.= 4.936 id.= 4.931 dev= -0.005 sig.= 0.000
B    201 VAL O   . - B    203 VAL CA  . mod.= 4.825 id.= 4.817 dev= -0.008 sig.= 0.000
B    201 VAL O   . - B    268 LYS CA  . mod.= 3.794 id.= 3.791 dev= -0.003 sig.= 0.000
B    202 ASP N   . - B    203 VAL O   . mod.= 4.495 id.= 4.498 dev=  0.002 sig.= 0.000
B    202 ASP N   . - B    268 LYS CA  . mod.= 5.454 id.= 5.449 dev= -0.005 sig.= 0.000
B    202 ASP CA  . - B    268 LYS CA  . mod.= 4.970 id.= 4.965 dev= -0.005 sig.= 0.000
B    202 ASP CA  . - B    268 LYS C   . mod.= 5.498 id.= 5.495 dev= -0.003 sig.= 0.000
B    202 ASP CA  . - B    269 TYR CA  . mod.= 5.815 id.= 5.817 dev=  0.002 sig.= 0.000
B    202 ASP C   . - B    268 LYS CA  . mod.= 4.792 id.= 4.788 dev= -0.004 sig.= 0.000
B    202 ASP C   . - B    269 TYR CA  . mod.= 4.888 id.= 4.891 dev=  0.002 sig.= 0.000
B    202 ASP C   . - B    270 GLY N   . mod.= 4.997 id.= 4.995 dev= -0.002 sig.= 0.000
B    202 ASP O   . - B    203 VAL CA  . mod.= 2.762 id.= 2.758 dev= -0.004 sig.= 0.000
B    202 ASP O   . - B    268 LYS CA  . mod.= 3.933 id.= 3.931 dev= -0.003 sig.= 0.000
B    202 ASP O   . - B    268 LYS O   . mod.= 5.043 id.= 5.041 dev= -0.002 sig.= 0.000
B    202 ASP O   . - B    269 TYR CA  . mod.= 3.670 id.= 3.673 dev=  0.002 sig.= 0.000
B    202 ASP O   . - B    269 TYR O   . mod.= 5.517 id.= 5.515 dev= -0.003 sig.= 0.000
B    202 ASP O   . - B    270 GLY N   . mod.= 3.927 id.= 3.924 dev= -0.003 sig.= 0.000
B    202 ASP O   . - B    270 GLY CA  . mod.= 5.109 id.= 5.106 dev= -0.003 sig.= 0.000
B    203 VAL N   . - B    204 VAL N   . mod.= 3.628 id.= 3.632 dev=  0.004 sig.= 0.000
B    203 VAL N   . - B    204 VAL CA  . mod.= 4.840 id.= 4.842 dev=  0.002 sig.= 0.000
B    203 VAL N   . - B    267 PHE CA  . mod.= 5.794 id.= 5.797 dev=  0.002 sig.= 0.000
B    203 VAL N   . - B    267 PHE C   . mod.= 5.922 id.= 5.924 dev=  0.002 sig.= 0.000
B    203 VAL N   . - B    268 LYS N   . mod.= 5.226 id.= 5.230 dev=  0.004 sig.= 0.000
B    203 VAL N   . - B    268 LYS CA  . mod.= 5.897 id.= 5.894 dev= -0.003 sig.= 0.000
B    203 VAL N   . - B    270 GLY O   . mod.= 4.548 id.= 4.550 dev=  0.002 sig.= 0.000
B    203 VAL CA  . - B    204 VAL CA  . mod.= 3.768 id.= 3.766 dev= -0.002 sig.= 0.000
B    203 VAL CA  . - B    268 LYS N   . mod.= 5.683 id.= 5.677 dev= -0.006 sig.= 0.000
B    203 VAL CA  . - B    269 TYR N   . mod.= 5.174 id.= 5.172 dev= -0.002 sig.= 0.000
B    203 VAL CA  . - B    269 TYR CA  . mod.= 5.543 id.= 5.540 dev= -0.003 sig.= 0.000
B    203 VAL CA  . - B    269 TYR C   . mod.= 5.509 id.= 5.506 dev= -0.003 sig.= 0.000
B    203 VAL CA  . - B    270 GLY N   . mod.= 4.594 id.= 4.589 dev= -0.004 sig.= 0.000
B    203 VAL CA  . - B    270 GLY CA  . mod.= 5.119 id.= 5.113 dev= -0.006 sig.= 0.000
B    203 VAL CA  . - B    270 GLY C   . mod.= 4.417 id.= 4.412 dev= -0.004 sig.= 0.000
B    203 VAL CA  . - B    271 ARG N   . mod.= 5.434 id.= 5.430 dev= -0.004 sig.= 0.000
B    203 VAL CA  . - B    271 ARG CA  . mod.= 5.556 id.= 5.554 dev= -0.003 sig.= 0.000
B    203 VAL CA  . - B    272 ILE N   . mod.= 5.813 id.= 5.809 dev= -0.003 sig.= 0.000
B    203 VAL C   . - B    205 ALA CA  . mod.= 5.776 id.= 5.774 dev= -0.002 sig.= 0.000
B    203 VAL C   . - B    270 GLY N   . mod.= 5.472 id.= 5.476 dev=  0.004 sig.= 0.000
B    203 VAL C   . - B    270 GLY CA  . mod.= 5.694 id.= 5.696 dev=  0.002 sig.= 0.000
B    203 VAL C   . - B    272 ILE N   . mod.= 5.811 id.= 5.805 dev= -0.006 sig.= 0.000
B    203 VAL O   . - B    205 ALA N   . mod.= 4.697 id.= 4.693 dev= -0.004 sig.= 0.000
B    204 VAL N   . - B    204 VAL O   . mod.= 2.654 id.= 2.659 dev=  0.005 sig.= 0.000
B    204 VAL N   . - B    205 ALA N   . mod.= 3.589 id.= 3.591 dev=  0.002 sig.= 0.000
B    204 VAL N   . - B    205 ALA CA  . mod.= 4.829 id.= 4.831 dev=  0.002 sig.= 0.000
B    204 VAL N   . - B    270 GLY O   . mod.= 2.904 id.= 2.902 dev= -0.002 sig.= 0.000
B    204 VAL N   . - B    272 ILE CA  . mod.= 5.991 id.= 5.997 dev=  0.006 sig.= 0.000
B    204 VAL C   . - B    205 ALA C   . mod.= 3.590 id.= 3.592 dev=  0.002 sig.= 0.000
B    204 VAL C   . - B    272 ILE N   . mod.= 4.420 id.= 4.422 dev=  0.002 sig.= 0.000
B    204 VAL C   . - B    272 ILE CA  . mod.= 5.527 id.= 5.532 dev=  0.004 sig.= 0.000
B    204 VAL O   . - B    205 ALA C   . mod.= 4.154 id.= 4.158 dev=  0.004 sig.= 0.000
B    204 VAL O   . - B    205 ALA O   . mod.= 4.603 id.= 4.605 dev=  0.003 sig.= 0.000
B    204 VAL O   . - B    270 GLY C   . mod.= 4.620 id.= 4.622 dev=  0.002 sig.= 0.000
B    204 VAL O   . - B    270 GLY O   . mod.= 3.914 id.= 3.916 dev=  0.002 sig.= 0.000
B    204 VAL O   . - B    272 ILE C   . mod.= 5.427 id.= 5.430 dev=  0.003 sig.= 0.000
B    204 VAL O   . - B    272 ILE O   . mod.= 5.431 id.= 5.436 dev=  0.005 sig.= 0.000
B    205 ALA N   . - B    270 GLY O   . mod.= 5.729 id.= 5.734 dev=  0.005 sig.= 0.000
B    205 ALA N   . - B    271 ARG CA  . mod.= 5.295 id.= 5.303 dev=  0.008 sig.= 0.000
B    205 ALA N   . - B    271 ARG C   . mod.= 5.907 id.= 5.915 dev=  0.008 sig.= 0.000
B    205 ALA N   . - B    272 ILE N   . mod.= 5.311 id.= 5.317 dev=  0.006 sig.= 0.000
B    205 ALA CA  . - B    206 PRO C   . mod.= 4.520 id.= 4.524 dev=  0.004 sig.= 0.000
B    205 ALA CA  . - B    206 PRO O   . mod.= 4.520 id.= 4.523 dev=  0.003 sig.= 0.000
B    205 ALA CA  . - B    228 ALA CA  . mod.= 4.997 id.= 5.004 dev=  0.007 sig.= 0.000
B    205 ALA CA  . - B    228 ALA C   . mod.= 5.214 id.= 5.223 dev=  0.009 sig.= 0.000
B    205 ALA CA  . - B    228 ALA O   . mod.= 4.705 id.= 4.709 dev=  0.004 sig.= 0.000
B    205 ALA CA  . - B    271 ARG CA  . mod.= 5.692 id.= 5.696 dev=  0.004 sig.= 0.000
B    205 ALA CA  . - B    272 ILE N   . mod.= 5.288 id.= 5.294 dev=  0.006 sig.= 0.000
B    205 ALA C   . - B    228 ALA O   . mod.= 4.929 id.= 4.927 dev= -0.002 sig.= 0.000
B    205 ALA O   . - B    206 PRO C   . mod.= 3.094 id.= 3.097 dev=  0.002 sig.= 0.000
B    205 ALA O   . - B    228 ALA O   . mod.= 5.198 id.= 5.195 dev= -0.003 sig.= 0.000
B    206 PRO N   . - B    207 GLY N   . mod.= 3.537 id.= 3.535 dev= -0.002 sig.= 0.000
B    206 PRO N   . - B    228 ALA CA  . mod.= 5.029 id.= 5.032 dev=  0.003 sig.= 0.000
B    206 PRO N   . - B    228 ALA C   . mod.= 5.751 id.= 5.754 dev=  0.003 sig.= 0.000
B    206 PRO CA  . - B    208 VAL N   . mod.= 4.803 id.= 4.801 dev= -0.002 sig.= 0.000
B    206 PRO CA  . - B    228 ALA CA  . mod.= 5.318 id.= 5.321 dev=  0.003 sig.= 0.000
B    206 PRO C   . - B    208 VAL O   . mod.= 5.680 id.= 5.678 dev= -0.002 sig.= 0.000
B    206 PRO C   . - B    224 GLY O   . mod.= 5.655 id.= 5.657 dev=  0.002 sig.= 0.000
B    206 PRO C   . - B    227 MET O   . mod.= 4.864 id.= 4.866 dev=  0.002 sig.= 0.000
B    206 PRO C   . - B    228 ALA N   . mod.= 4.765 id.= 4.767 dev=  0.002 sig.= 0.000
B    206 PRO C   . - B    228 ALA CA  . mod.= 4.330 id.= 4.333 dev=  0.003 sig.= 0.000
B    206 PRO C   . - B    228 ALA O   . mod.= 5.632 id.= 5.629 dev= -0.002 sig.= 0.000
B    206 PRO O   . - B    227 MET O   . mod.= 3.706 id.= 3.708 dev=  0.003 sig.= 0.000
B    206 PRO O   . - B    228 ALA O   . mod.= 4.635 id.= 4.632 dev= -0.004 sig.= 0.000
B    207 GLY N   . - B    224 GLY O   . mod.= 4.998 id.= 5.001 dev=  0.002 sig.= 0.000
B    207 GLY CA  . - B    210 ILE N   . mod.= 5.858 id.= 5.862 dev=  0.005 sig.= 0.000
B    207 GLY CA  . - B    223 SER CA  . mod.= 5.479 id.= 5.476 dev= -0.003 sig.= 0.000
B    207 GLY CA  . - B    224 GLY CA  . mod.= 5.377 id.= 5.379 dev=  0.002 sig.= 0.000
B    207 GLY CA  . - B    225 THR N   . mod.= 5.703 id.= 5.710 dev=  0.007 sig.= 0.000
B    207 GLY CA  . - B    225 THR CA  . mod.= 5.882 id.= 5.887 dev=  0.005 sig.= 0.000
B    207 GLY CA  . - B    227 MET N   . mod.= 5.470 id.= 5.467 dev= -0.003 sig.= 0.000
B    207 GLY CA  . - B    227 MET CA  . mod.= 4.938 id.= 4.934 dev= -0.004 sig.= 0.000
B    207 GLY C   . - B    209 ASP CA  . mod.= 5.481 id.= 5.485 dev=  0.003 sig.= 0.000
B    207 GLY C   . - B    209 ASP C   . mod.= 5.649 id.= 5.655 dev=  0.007 sig.= 0.000
B    207 GLY C   . - B    222 MET C   . mod.= 5.564 id.= 5.562 dev= -0.002 sig.= 0.000
B    207 GLY C   . - B    222 MET O   . mod.= 4.776 id.= 4.773 dev= -0.003 sig.= 0.000
B    207 GLY C   . - B    223 SER CA  . mod.= 4.322 id.= 4.319 dev= -0.003 sig.= 0.000
B    207 GLY C   . - B    224 GLY CA  . mod.= 4.989 id.= 4.991 dev=  0.002 sig.= 0.000
B    207 GLY C   . - B    225 THR N   . mod.= 5.877 id.= 5.885 dev=  0.008 sig.= 0.000
B    207 GLY C   . - B    227 MET CA  . mod.= 5.616 id.= 5.612 dev= -0.004 sig.= 0.000
B    207 GLY O   . - B    208 VAL CA  . mod.= 2.746 id.= 2.749 dev=  0.003 sig.= 0.000
B    207 GLY O   . - B    208 VAL O   . mod.= 4.611 id.= 4.613 dev=  0.003 sig.= 0.000
B    207 GLY O   . - B    209 ASP C   . mod.= 5.832 id.= 5.837 dev=  0.006 sig.= 0.000
B    207 GLY O   . - B    210 ILE N   . mod.= 5.212 id.= 5.214 dev=  0.002 sig.= 0.000
B    207 GLY O   . - B    223 SER CA  . mod.= 3.246 id.= 3.244 dev= -0.002 sig.= 0.000
B    207 GLY O   . - B    224 GLY CA  . mod.= 3.902 id.= 3.905 dev=  0.003 sig.= 0.000
B    207 GLY O   . - B    225 THR N   . mod.= 5.130 id.= 5.138 dev=  0.008 sig.= 0.000
B    207 GLY O   . - B    225 THR CA  . mod.= 5.888 id.= 5.892 dev=  0.004 sig.= 0.000
B    207 GLY O   . - B    227 MET CA  . mod.= 5.380 id.= 5.375 dev= -0.005 sig.= 0.000
B    208 VAL N   . - B    209 ASP CA  . mod.= 4.774 id.= 4.777 dev=  0.003 sig.= 0.000
B    208 VAL N   . - B    209 ASP C   . mod.= 5.013 id.= 5.018 dev=  0.005 sig.= 0.000
B    208 VAL N   . - B    209 ASP O   . mod.= 5.634 id.= 5.637 dev=  0.003 sig.= 0.000
B    208 VAL N   . - B    210 ILE CA  . mod.= 5.420 id.= 5.417 dev= -0.003 sig.= 0.000
B    208 VAL N   . - B    222 MET O   . mod.= 5.018 id.= 5.015 dev= -0.002 sig.= 0.000
B    208 VAL N   . - B    224 GLY N   . mod.= 5.013 id.= 5.016 dev=  0.003 sig.= 0.000
B    208 VAL N   . - B    224 GLY O   . mod.= 5.298 id.= 5.301 dev=  0.002 sig.= 0.000
B    208 VAL CA  . - B    209 ASP CA  . mod.= 3.862 id.= 3.865 dev=  0.002 sig.= 0.000
B    208 VAL CA  . - B    209 ASP C   . mod.= 4.512 id.= 4.515 dev=  0.003 sig.= 0.000
B    208 VAL CA  . - B    210 ILE CA  . mod.= 5.542 id.= 5.540 dev= -0.002 sig.= 0.000
B    208 VAL CA  . - B    223 SER C   . mod.= 5.334 id.= 5.336 dev=  0.002 sig.= 0.000
B    208 VAL CA  . - B    224 GLY N   . mod.= 5.125 id.= 5.128 dev=  0.003 sig.= 0.000
B    208 VAL C   . - B    209 ASP C   . mod.= 3.098 id.= 3.100 dev=  0.002 sig.= 0.000
B    208 VAL C   . - B    210 ILE CA  . mod.= 4.475 id.= 4.471 dev= -0.004 sig.= 0.000
B    208 VAL C   . - B    210 ILE C   . mod.= 5.764 id.= 5.761 dev= -0.002 sig.= 0.000
B    208 VAL C   . - B    222 MET C   . mod.= 5.154 id.= 5.151 dev= -0.003 sig.= 0.000
B    208 VAL C   . - B    222 MET O   . mod.= 4.298 id.= 4.296 dev= -0.002 sig.= 0.000
B    208 VAL C   . - B    223 SER CA  . mod.= 4.729 id.= 4.727 dev= -0.002 sig.= 0.000
B    208 VAL O   . - B    209 ASP CA  . mod.= 2.896 id.= 2.907 dev=  0.011 sig.= 0.000
B    208 VAL O   . - B    209 ASP C   . mod.= 3.061 id.= 3.066 dev=  0.005 sig.= 0.000
B    208 VAL O   . - B    210 ILE CA  . mod.= 4.334 id.= 4.327 dev= -0.007 sig.= 0.000
B    208 VAL O   . - B    210 ILE C   . mod.= 5.694 id.= 5.689 dev= -0.005 sig.= 0.000
B    208 VAL O   . - B    223 SER CA  . mod.= 5.866 id.= 5.870 dev=  0.003 sig.= 0.000
B    209 ASP N   . - B    210 ILE CA  . mod.= 4.227 id.= 4.224 dev= -0.002 sig.= 0.000
B    209 ASP N   . - B    222 MET N   . mod.= 5.185 id.= 5.189 dev=  0.003 sig.= 0.000
B    209 ASP N   . - B    222 MET CA  . mod.= 5.337 id.= 5.341 dev=  0.003 sig.= 0.000
B    209 ASP N   . - B    224 GLY N   . mod.= 5.834 id.= 5.837 dev=  0.003 sig.= 0.000
B    209 ASP CA  . - B    210 ILE O   . mod.= 4.790 id.= 4.792 dev=  0.002 sig.= 0.000
B    209 ASP CA  . - B    221 TYR CA  . mod.= 5.101 id.= 5.110 dev=  0.009 sig.= 0.000
B    209 ASP CA  . - B    222 MET C   . mod.= 4.349 id.= 4.343 dev= -0.006 sig.= 0.000
B    209 ASP CA  . - B    222 MET O   . mod.= 3.667 id.= 3.665 dev= -0.002 sig.= 0.000
B    209 ASP CA  . - B    223 SER N   . mod.= 4.939 id.= 4.933 dev= -0.006 sig.= 0.000
B    209 ASP CA  . - B    223 SER CA  . mod.= 4.984 id.= 4.980 dev= -0.004 sig.= 0.000
B    209 ASP C   . - B    210 ILE C   . mod.= 3.170 id.= 3.172 dev=  0.002 sig.= 0.000
B    209 ASP C   . - B    210 ILE O   . mod.= 3.708 id.= 3.710 dev=  0.002 sig.= 0.000
B    209 ASP C   . - B    211 VAL CA  . mod.= 5.068 id.= 5.070 dev=  0.003 sig.= 0.000
B    209 ASP C   . - B    221 TYR C   . mod.= 5.078 id.= 5.074 dev= -0.004 sig.= 0.000
B    209 ASP C   . - B    222 MET N   . mod.= 4.461 id.= 4.458 dev= -0.003 sig.= 0.000
B    209 ASP C   . - B    222 MET C   . mod.= 4.603 id.= 4.600 dev= -0.003 sig.= 0.000
B    209 ASP O   . - B    210 ILE CA  . mod.= 2.711 id.= 2.714 dev=  0.003 sig.= 0.000
B    209 ASP O   . - B    210 ILE C   . mod.= 3.397 id.= 3.400 dev=  0.003 sig.= 0.000
B    209 ASP O   . - B    210 ILE O   . mod.= 4.215 id.= 4.219 dev=  0.004 sig.= 0.000
B    209 ASP O   . - B    211 VAL CA  . mod.= 4.886 id.= 4.890 dev=  0.003 sig.= 0.000
B    209 ASP O   . - B    221 TYR CA  . mod.= 5.245 id.= 5.250 dev=  0.005 sig.= 0.000
B    209 ASP O   . - B    222 MET O   . mod.= 4.843 id.= 4.846 dev=  0.002 sig.= 0.000
B    210 ILE N   . - B    211 VAL N   . mod.= 3.442 id.= 3.447 dev=  0.004 sig.= 0.000
B    210 ILE N   . - B    221 TYR CA  . mod.= 4.650 id.= 4.653 dev=  0.003 sig.= 0.000
B    210 ILE N   . - B    221 TYR O   . mod.= 5.927 id.= 5.930 dev=  0.002 sig.= 0.000
B    210 ILE N   . - B    223 SER N   . mod.= 4.889 id.= 4.894 dev=  0.005 sig.= 0.000
B    210 ILE CA  . - B    211 VAL CA  . mod.= 3.825 id.= 3.827 dev=  0.002 sig.= 0.000
B    210 ILE CA  . - B    221 TYR CA  . mod.= 5.003 id.= 5.001 dev= -0.002 sig.= 0.000
B    210 ILE CA  . - B    221 TYR C   . mod.= 5.292 id.= 5.290 dev= -0.003 sig.= 0.000
B    210 ILE CA  . - B    222 MET N   . mod.= 4.479 id.= 4.475 dev= -0.004 sig.= 0.000
B    210 ILE CA  . - B    223 SER N   . mod.= 5.883 id.= 5.889 dev=  0.006 sig.= 0.000
B    210 ILE C   . - B    212 SER CA  . mod.= 5.171 id.= 5.167 dev= -0.004 sig.= 0.000
B    210 ILE C   . - B    221 TYR CA  . mod.= 4.001 id.= 3.998 dev= -0.004 sig.= 0.000
B    210 ILE C   . - B    222 MET C   . mod.= 4.957 id.= 4.960 dev=  0.003 sig.= 0.000
B    210 ILE O   . - B    211 VAL CA  . mod.= 2.766 id.= 2.770 dev=  0.004 sig.= 0.000
B    210 ILE O   . - B    211 VAL C   . mod.= 3.318 id.= 3.324 dev=  0.005 sig.= 0.000
B    210 ILE O   . - B    211 VAL O   . mod.= 3.975 id.= 3.979 dev=  0.004 sig.= 0.000
B    210 ILE O   . - B    212 SER N   . mod.= 3.701 id.= 3.703 dev=  0.002 sig.= 0.000
B    210 ILE O   . - B    212 SER CA  . mod.= 4.838 id.= 4.834 dev= -0.004 sig.= 0.000
B    210 ILE O   . - B    212 SER O   . mod.= 5.793 id.= 5.795 dev=  0.002 sig.= 0.000
B    210 ILE O   . - B    220 ALA CA  . mod.= 5.682 id.= 5.686 dev=  0.005 sig.= 0.000
B    210 ILE O   . - B    222 MET C   . mod.= 4.234 id.= 4.236 dev=  0.003 sig.= 0.000
B    210 ILE O   . - B    223 SER N   . mod.= 5.545 id.= 5.553 dev=  0.009 sig.= 0.000
B    211 VAL N   . - B    211 VAL O   . mod.= 2.870 id.= 2.874 dev=  0.004 sig.= 0.000
B    211 VAL N   . - B    212 SER N   . mod.= 3.556 id.= 3.559 dev=  0.003 sig.= 0.000
B    211 VAL N   . - B    212 SER CA  . mod.= 4.814 id.= 4.819 dev=  0.005 sig.= 0.000
B    211 VAL N   . - B    220 ALA O   . mod.= 4.347 id.= 4.350 dev=  0.003 sig.= 0.000
B    211 VAL N   . - B    221 TYR N   . mod.= 5.111 id.= 5.114 dev=  0.002 sig.= 0.000
B    211 VAL N   . - B    221 TYR CA  . mod.= 4.403 id.= 4.396 dev= -0.006 sig.= 0.000
B    211 VAL N   . - B    221 TYR C   . mod.= 5.235 id.= 5.237 dev=  0.002 sig.= 0.000
B    211 VAL N   . - B    222 MET N   . mod.= 4.940 id.= 4.945 dev=  0.005 sig.= 0.000
B    211 VAL N   . - B    222 MET O   . mod.= 5.353 id.= 5.363 dev=  0.010 sig.= 0.000
B    211 VAL CA  . - B    212 SER CA  . mod.= 3.825 id.= 3.828 dev=  0.003 sig.= 0.000
B    211 VAL CA  . - B    220 ALA CA  . mod.= 5.252 id.= 5.273 dev=  0.021 sig.= 0.000
B    211 VAL CA  . - B    221 TYR CA  . mod.= 4.219 id.= 4.210 dev= -0.009 sig.= 0.000
B    211 VAL C   . - B    212 SER C   . mod.= 3.688 id.= 3.690 dev=  0.002 sig.= 0.000
B    211 VAL C   . - B    220 ALA N   . mod.= 5.244 id.= 5.241 dev= -0.003 sig.= 0.000
B    211 VAL C   . - B    220 ALA CA  . mod.= 5.573 id.= 5.582 dev=  0.009 sig.= 0.000
B    211 VAL C   . - B    220 ALA C   . mod.= 4.636 id.= 4.633 dev= -0.003 sig.= 0.000
B    211 VAL C   . - B    221 TYR N   . mod.= 5.326 id.= 5.323 dev= -0.003 sig.= 0.000
B    211 VAL C   . - B    221 TYR CA  . mod.= 5.211 id.= 5.202 dev= -0.009 sig.= 0.000
B    211 VAL C   . - B    221 TYR C   . mod.= 5.972 id.= 5.976 dev=  0.004 sig.= 0.000
B    211 VAL C   . - B    222 MET N   . mod.= 5.883 id.= 5.888 dev=  0.005 sig.= 0.000
B    211 VAL O   . - B    212 SER CA  . mod.= 2.787 id.= 2.790 dev=  0.003 sig.= 0.000
B    211 VAL O   . - B    212 SER C   . mod.= 4.220 id.= 4.218 dev= -0.002 sig.= 0.000
B    211 VAL O   . - B    212 SER O   . mod.= 4.783 id.= 4.779 dev= -0.004 sig.= 0.000
B    211 VAL O   . - B    213 THR N   . mod.= 5.091 id.= 5.086 dev= -0.005 sig.= 0.000
B    212 SER N   . - B    213 THR N   . mod.= 3.659 id.= 3.653 dev= -0.006 sig.= 0.000
B    212 SER N   . - B    213 THR CA  . mod.= 4.907 id.= 4.904 dev= -0.003 sig.= 0.000
B    212 SER N   . - B    213 THR C   . mod.= 5.498 id.= 5.500 dev=  0.002 sig.= 0.000
B    212 SER N   . - B    213 THR O   . mod.= 5.545 id.= 5.548 dev=  0.003 sig.= 0.000
B    212 SER N   . - B    219 TYR CA  . mod.= 5.321 id.= 5.314 dev= -0.008 sig.= 0.000
B    212 SER N   . - B    219 TYR C   . mod.= 5.212 id.= 5.215 dev=  0.003 sig.= 0.000
B    212 SER N   . - B    220 ALA CA  . mod.= 4.753 id.= 4.757 dev=  0.003 sig.= 0.000
B    212 SER N   . - B    220 ALA O   . mod.= 2.935 id.= 2.938 dev=  0.003 sig.= 0.000
B    212 SER N   . - B    221 TYR CA  . mod.= 5.115 id.= 5.109 dev= -0.005 sig.= 0.000
B    212 SER N   . - B    221 TYR C   . mod.= 5.740 id.= 5.747 dev=  0.006 sig.= 0.000
B    212 SER N   . - B    222 MET N   . mod.= 5.788 id.= 5.793 dev=  0.005 sig.= 0.000
B    212 SER CA  . - B    213 THR CA  . mod.= 3.790 id.= 3.787 dev= -0.003 sig.= 0.000
B    212 SER CA  . - B    213 THR O   . mod.= 4.550 id.= 4.548 dev= -0.003 sig.= 0.000
B    212 SER CA  . - B    219 TYR C   . mod.= 5.589 id.= 5.596 dev=  0.007 sig.= 0.000
B    212 SER CA  . - B    220 ALA N   . mod.= 4.762 id.= 4.765 dev=  0.003 sig.= 0.000
B    212 SER CA  . - B    220 ALA CA  . mod.= 5.561 id.= 5.555 dev= -0.006 sig.= 0.000
B    212 SER CA  . - B    220 ALA C   . mod.= 5.046 id.= 5.042 dev= -0.004 sig.= 0.000
B    212 SER C   . - B    214 ILE CA  . mod.= 5.267 id.= 5.270 dev=  0.003 sig.= 0.000
B    212 SER C   . - B    218 ARG O   . mod.= 5.039 id.= 5.024 dev= -0.016 sig.= 0.000
B    212 SER C   . - B    219 TYR N   . mod.= 5.429 id.= 5.433 dev=  0.004 sig.= 0.000
B    212 SER C   . - B    219 TYR C   . mod.= 4.634 id.= 4.639 dev=  0.005 sig.= 0.000
B    212 SER C   . - B    219 TYR O   . mod.= 5.864 id.= 5.868 dev=  0.005 sig.= 0.000
B    212 SER C   . - B    220 ALA N   . mod.= 3.985 id.= 3.988 dev=  0.003 sig.= 0.000
B    212 SER C   . - B    220 ALA CA  . mod.= 5.049 id.= 5.038 dev= -0.011 sig.= 0.000
B    212 SER C   . - B    220 ALA C   . mod.= 4.932 id.= 4.929 dev= -0.003 sig.= 0.000
B    212 SER C   . - B    220 ALA O   . mod.= 4.020 id.= 4.022 dev=  0.002 sig.= 0.000
B    212 SER O   . - B    213 THR CA  . mod.= 2.820 id.= 2.815 dev= -0.005 sig.= 0.000
B    212 SER O   . - B    214 ILE N   . mod.= 3.791 id.= 3.793 dev=  0.002 sig.= 0.000
B    212 SER O   . - B    214 ILE CA  . mod.= 4.891 id.= 4.894 dev=  0.003 sig.= 0.000
B    212 SER O   . - B    218 ARG O   . mod.= 4.452 id.= 4.437 dev= -0.015 sig.= 0.000
B    212 SER O   . - B    219 TYR N   . mod.= 4.473 id.= 4.477 dev=  0.004 sig.= 0.000
B    212 SER O   . - B    219 TYR C   . mod.= 3.456 id.= 3.461 dev=  0.005 sig.= 0.000
B    212 SER O   . - B    219 TYR O   . mod.= 4.682 id.= 4.685 dev=  0.003 sig.= 0.000
B    212 SER O   . - B    220 ALA N   . mod.= 2.788 id.= 2.793 dev=  0.005 sig.= 0.000
B    212 SER O   . - B    220 ALA CA  . mod.= 3.927 id.= 3.918 dev= -0.009 sig.= 0.000
B    212 SER O   . - B    220 ALA O   . mod.= 3.323 id.= 3.329 dev=  0.006 sig.= 0.000
B    213 THR N   . - B    214 ILE O   . mod.= 5.777 id.= 5.764 dev= -0.013 sig.= 0.000
B    213 THR N   . - B    218 ARG O   . mod.= 4.800 id.= 4.786 dev= -0.015 sig.= 0.000
B    213 THR N   . - B    219 TYR N   . mod.= 5.729 id.= 5.732 dev=  0.003 sig.= 0.000
B    213 THR N   . - B    220 ALA N   . mod.= 4.979 id.= 4.976 dev= -0.003 sig.= 0.000
B    213 THR N   . - B    220 ALA O   . mod.= 5.270 id.= 5.264 dev= -0.006 sig.= 0.000
B    213 THR CA  . - B    214 ILE O   . mod.= 4.391 id.= 4.378 dev= -0.013 sig.= 0.000
B    213 THR CA  . - B    218 ARG O   . mod.= 3.685 id.= 3.670 dev= -0.015 sig.= 0.000
B    213 THR CA  . - B    219 TYR CA  . mod.= 4.370 id.= 4.374 dev=  0.004 sig.= 0.000
B    213 THR C   . - B    214 ILE O   . mod.= 3.550 id.= 3.534 dev= -0.017 sig.= 0.000
B    213 THR C   . - B    218 ARG N   . mod.= 5.946 id.= 5.925 dev= -0.021 sig.= 0.000
B    213 THR C   . - B    218 ARG CA  . mod.= 5.946 id.= 5.942 dev= -0.003 sig.= 0.000
B    213 THR C   . - B    218 ARG O   . mod.= 3.792 id.= 3.782 dev= -0.009 sig.= 0.000
B    213 THR C   . - B    219 TYR N   . mod.= 5.173 id.= 5.175 dev=  0.002 sig.= 0.000
B    213 THR C   . - B    219 TYR CA  . mod.= 4.657 id.= 4.664 dev=  0.007 sig.= 0.000
B    213 THR C   . - B    219 TYR C   . mod.= 5.344 id.= 5.339 dev= -0.005 sig.= 0.000
B    213 THR C   . - B    220 ALA O   . mod.= 5.964 id.= 5.966 dev=  0.002 sig.= 0.000
B    213 THR O   . - B    214 ILE O   . mod.= 4.270 id.= 4.253 dev= -0.017 sig.= 0.000
B    213 THR O   . - B    215 THR N   . mod.= 4.921 id.= 4.924 dev=  0.003 sig.= 0.000
B    213 THR O   . - B    218 ARG O   . mod.= 4.962 id.= 4.954 dev= -0.008 sig.= 0.000
B    213 THR O   . - B    219 TYR CA  . mod.= 5.608 id.= 5.613 dev=  0.005 sig.= 0.000
B    213 THR O   . - B    220 ALA N   . mod.= 5.594 id.= 5.589 dev= -0.006 sig.= 0.000
B    213 THR O   . - B    220 ALA O   . mod.= 5.974 id.= 5.971 dev= -0.003 sig.= 0.000
B    214 ILE N   . - B    215 THR N   . mod.= 3.644 id.= 3.646 dev=  0.002 sig.= 0.000
B    214 ILE N   . - B    217 ASN C   . mod.= 6.005 id.= 5.987 dev= -0.018 sig.= 0.000
B    214 ILE N   . - B    218 ARG N   . mod.= 4.874 id.= 4.860 dev= -0.014 sig.= 0.000
B    214 ILE N   . - B    218 ARG O   . mod.= 3.011 id.= 3.005 dev= -0.006 sig.= 0.000
B    214 ILE N   . - B    219 TYR N   . mod.= 4.458 id.= 4.460 dev=  0.002 sig.= 0.000
B    214 ILE N   . - B    219 TYR CA  . mod.= 4.281 id.= 4.291 dev=  0.010 sig.= 0.000
B    214 ILE N   . - B    219 TYR C   . mod.= 4.965 id.= 4.961 dev= -0.005 sig.= 0.000
B    214 ILE N   . - B    219 TYR O   . mod.= 5.900 id.= 5.876 dev= -0.024 sig.= 0.000
B    214 ILE N   . - B    220 ALA N   . mod.= 4.934 id.= 4.936 dev=  0.002 sig.= 0.000
B    214 ILE CA  . - B    215 THR CA  . mod.= 3.886 id.= 3.884 dev= -0.002 sig.= 0.000
B    214 ILE CA  . - B    215 THR C   . mod.= 4.582 id.= 4.593 dev=  0.011 sig.= 0.000
B    214 ILE CA  . - B    215 THR O   . mod.= 4.460 id.= 4.470 dev=  0.011 sig.= 0.000
B    214 ILE CA  . - B    219 TYR CA  . mod.= 5.293 id.= 5.300 dev=  0.007 sig.= 0.000
B    214 ILE CA  . - B    219 TYR C   . mod.= 5.711 id.= 5.698 dev= -0.013 sig.= 0.000
B    214 ILE CA  . - B    220 ALA N   . mod.= 5.619 id.= 5.617 dev= -0.003 sig.= 0.000
B    214 ILE C   . - B    215 THR C   . mod.= 3.156 id.= 3.160 dev=  0.004 sig.= 0.000
B    214 ILE C   . - B    215 THR O   . mod.= 3.270 id.= 3.260 dev= -0.010 sig.= 0.000
B    214 ILE C   . - B    217 ASN N   . mod.= 5.148 id.= 5.144 dev= -0.004 sig.= 0.000
B    214 ILE C   . - B    217 ASN CA  . mod.= 5.848 id.= 5.827 dev= -0.021 sig.= 0.000
B    214 ILE C   . - B    218 ARG CA  . mod.= 5.080 id.= 5.074 dev= -0.006 sig.= 0.000
B    214 ILE C   . - B    218 ARG C   . mod.= 4.696 id.= 4.691 dev= -0.004 sig.= 0.000
B    214 ILE C   . - B    219 TYR N   . mod.= 5.613 id.= 5.606 dev= -0.008 sig.= 0.000
B    214 ILE C   . - B    219 TYR CA  . mod.= 5.961 id.= 5.964 dev=  0.002 sig.= 0.000
B    214 ILE O   . - B    215 THR C   . mod.= 3.115 id.= 3.111 dev= -0.004 sig.= 0.000
B    214 ILE O   . - B    215 THR O   . mod.= 3.305 id.= 3.285 dev= -0.020 sig.= 0.000
B    214 ILE O   . - B    216 GLY N   . mod.= 3.831 id.= 3.823 dev= -0.008 sig.= 0.000
B    214 ILE O   . - B    216 GLY CA  . mod.= 4.831 id.= 4.822 dev= -0.009 sig.= 0.000
B    214 ILE O   . - B    216 GLY C   . mod.= 4.775 id.= 4.773 dev= -0.002 sig.= 0.000
B    214 ILE O   . - B    217 ASN N   . mod.= 4.204 id.= 4.201 dev= -0.003 sig.= 0.000
B    214 ILE O   . - B    217 ASN CA  . mod.= 4.780 id.= 4.757 dev= -0.023 sig.= 0.000
B    214 ILE O   . - B    217 ASN C   . mod.= 4.734 id.= 4.739 dev=  0.005 sig.= 0.000
B    214 ILE O   . - B    218 ARG N   . mod.= 3.766 id.= 3.769 dev=  0.003 sig.= 0.000
B    214 ILE O   . - B    218 ARG CA  . mod.= 4.447 id.= 4.449 dev=  0.002 sig.= 0.000
B    214 ILE O   . - B    218 ARG C   . mod.= 4.132 id.= 4.135 dev=  0.003 sig.= 0.000
B    214 ILE O   . - B    218 ARG O   . mod.= 3.365 id.= 3.371 dev=  0.006 sig.= 0.000
B    214 ILE O   . - B    219 TYR CA  . mod.= 5.695 id.= 5.698 dev=  0.003 sig.= 0.000
B    215 THR N   . - B    216 GLY N   . mod.= 3.673 id.= 3.677 dev=  0.004 sig.= 0.000
B    215 THR N   . - B    216 GLY CA  . mod.= 4.941 id.= 4.948 dev=  0.006 sig.= 0.000
B    215 THR N   . - B    216 GLY C   . mod.= 5.482 id.= 5.489 dev=  0.007 sig.= 0.000
B    215 THR N   . - B    218 ARG N   . mod.= 5.345 id.= 5.350 dev=  0.005 sig.= 0.000
B    215 THR N   . - B    218 ARG O   . mod.= 5.238 id.= 5.241 dev=  0.004 sig.= 0.000
B    215 THR CA  . - B    216 GLY CA  . mod.= 3.797 id.= 3.799 dev=  0.002 sig.= 0.000
B    215 THR CA  . - B    216 GLY C   . mod.= 4.632 id.= 4.637 dev=  0.005 sig.= 0.000
B    215 THR CA  . - B    216 GLY O   . mod.= 5.566 id.= 5.562 dev= -0.004 sig.= 0.000
B    215 THR CA  . - B    217 ASN N   . mod.= 4.690 id.= 4.701 dev=  0.011 sig.= 0.000
B    215 THR C   . - B    216 GLY C   . mod.= 3.247 id.= 3.249 dev=  0.002 sig.= 0.000
B    215 THR C   . - B    217 ASN CA  . mod.= 4.843 id.= 4.847 dev=  0.004 sig.= 0.000
B    215 THR C   . - B    217 ASN C   . mod.= 5.141 id.= 5.147 dev=  0.006 sig.= 0.000
B    215 THR C   . - B    218 ARG N   . mod.= 4.446 id.= 4.451 dev=  0.005 sig.= 0.000
B    215 THR C   . - B    218 ARG CA  . mod.= 5.307 id.= 5.304 dev= -0.003 sig.= 0.000
B    215 THR C   . - B    218 ARG O   . mod.= 5.582 id.= 5.584 dev=  0.002 sig.= 0.000
B    215 THR O   . - B    217 ASN N   . mod.= 3.744 id.= 3.737 dev= -0.007 sig.= 0.000
B    215 THR O   . - B    217 ASN CA  . mod.= 4.809 id.= 4.817 dev=  0.008 sig.= 0.000
B    215 THR O   . - B    217 ASN C   . mod.= 4.751 id.= 4.757 dev=  0.005 sig.= 0.000
B    215 THR O   . - B    218 ARG N   . mod.= 3.906 id.= 3.910 dev=  0.004 sig.= 0.000
B    215 THR O   . - B    218 ARG CA  . mod.= 4.508 id.= 4.504 dev= -0.004 sig.= 0.000
B    216 GLY N   . - B    216 GLY O   . mod.= 3.584 id.= 3.588 dev=  0.004 sig.= 0.000
B    216 GLY N   . - B    217 ASN C   . mod.= 5.015 id.= 5.019 dev=  0.004 sig.= 0.000
B    216 GLY N   . - B    218 ARG N   . mod.= 4.651 id.= 4.655 dev=  0.004 sig.= 0.000
B    216 GLY CA  . - B    217 ASN CA  . mod.= 3.826 id.= 3.837 dev=  0.011 sig.= 0.000
B    216 GLY CA  . - B    217 ASN O   . mod.= 5.460 id.= 5.456 dev= -0.004 sig.= 0.000
B    216 GLY C   . - B    217 ASN O   . mod.= 3.980 id.= 3.978 dev= -0.002 sig.= 0.000
B    216 GLY C   . - B    218 ARG N   . mod.= 3.329 id.= 3.333 dev=  0.003 sig.= 0.000
B    216 GLY C   . - B    218 ARG CA  . mod.= 4.504 id.= 4.508 dev=  0.004 sig.= 0.000
B    216 GLY C   . - B    218 ARG O   . mod.= 5.652 id.= 5.645 dev= -0.007 sig.= 0.000
B    216 GLY O   . - B    217 ASN CA  . mod.= 2.844 id.= 2.901 dev=  0.057 sig.= 0.000
B    216 GLY O   . - B    217 ASN C   . mod.= 3.128 id.= 3.135 dev=  0.006 sig.= 0.000
B    216 GLY O   . - B    218 ARG N   . mod.= 3.448 id.= 3.451 dev=  0.003 sig.= 0.000
B    216 GLY O   . - B    218 ARG C   . mod.= 5.673 id.= 5.668 dev= -0.004 sig.= 0.000
B    216 GLY O   . - B    218 ARG O   . mod.= 5.975 id.= 5.969 dev= -0.006 sig.= 0.000
B    217 ASN N   . - B    218 ARG CA  . mod.= 4.232 id.= 4.239 dev=  0.007 sig.= 0.000
B    217 ASN N   . - B    218 ARG C   . mod.= 5.118 id.= 5.115 dev= -0.003 sig.= 0.000
B    217 ASN N   . - B    218 ARG O   . mod.= 4.951 id.= 4.939 dev= -0.012 sig.= 0.000
B    217 ASN CA  . - B    218 ARG CA  . mod.= 3.742 id.= 3.773 dev=  0.032 sig.= 0.000
B    217 ASN CA  . - B    218 ARG O   . mod.= 4.536 id.= 4.508 dev= -0.028 sig.= 0.000
B    217 ASN CA  . - B    219 TYR N   . mod.= 5.838 id.= 5.846 dev=  0.008 sig.= 0.000
B    217 ASN C   . - B    218 ARG C   . mod.= 3.375 id.= 3.379 dev=  0.003 sig.= 0.000
B    217 ASN C   . - B    218 ARG O   . mod.= 3.575 id.= 3.566 dev= -0.009 sig.= 0.000
B    217 ASN C   . - B    219 TYR N   . mod.= 4.470 id.= 4.479 dev=  0.009 sig.= 0.000
B    217 ASN O   . - B    218 ARG CA  . mod.= 2.623 id.= 2.636 dev=  0.013 sig.= 0.000
B    217 ASN O   . - B    218 ARG C   . mod.= 3.743 id.= 3.740 dev= -0.003 sig.= 0.000
B    217 ASN O   . - B    218 ARG O   . mod.= 4.195 id.= 4.181 dev= -0.014 sig.= 0.000
B    217 ASN O   . - B    219 TYR N   . mod.= 4.574 id.= 4.579 dev=  0.005 sig.= 0.000
B    217 ASN O   . - B    219 TYR CA  . mod.= 5.853 id.= 5.850 dev= -0.003 sig.= 0.000
B    218 ARG N   . - B    218 ARG O   . mod.= 2.597 id.= 2.587 dev= -0.010 sig.= 0.000
B    218 ARG N   . - B    219 TYR C   . mod.= 5.804 id.= 5.810 dev=  0.007 sig.= 0.000
B    218 ARG N   . - B    219 TYR O   . mod.= 5.976 id.= 5.983 dev=  0.007 sig.= 0.000
B    218 ARG CA  . - B    219 TYR CA  . mod.= 3.738 id.= 3.747 dev=  0.009 sig.= 0.000
B    218 ARG CA  . - B    219 TYR C   . mod.= 4.610 id.= 4.620 dev=  0.010 sig.= 0.000
B    218 ARG CA  . - B    219 TYR O   . mod.= 4.637 id.= 4.643 dev=  0.006 sig.= 0.000
B    218 ARG CA  . - B    220 ALA N   . mod.= 5.712 id.= 5.723 dev=  0.011 sig.= 0.000
B    218 ARG C   . - B    219 TYR O   . mod.= 3.869 id.= 3.865 dev= -0.005 sig.= 0.000
B    218 ARG C   . - B    220 ALA N   . mod.= 4.499 id.= 4.501 dev=  0.002 sig.= 0.000
B    218 ARG C   . - B    220 ALA CA  . mod.= 5.734 id.= 5.731 dev= -0.003 sig.= 0.000
B    218 ARG O   . - B    219 TYR C   . mod.= 4.031 id.= 4.028 dev= -0.003 sig.= 0.000
B    218 ARG O   . - B    219 TYR O   . mod.= 4.679 id.= 4.672 dev= -0.006 sig.= 0.000
B    218 ARG O   . - B    220 ALA N   . mod.= 4.769 id.= 4.763 dev= -0.006 sig.= 0.000
B    219 TYR N   . - B    219 TYR O   . mod.= 2.630 id.= 2.633 dev=  0.003 sig.= 0.000
B    219 TYR N   . - B    220 ALA N   . mod.= 3.522 id.= 3.525 dev=  0.003 sig.= 0.000
B    219 TYR N   . - B    220 ALA CA  . mod.= 4.702 id.= 4.708 dev=  0.006 sig.= 0.000
B    219 TYR N   . - B    220 ALA C   . mod.= 5.977 id.= 5.983 dev=  0.006 sig.= 0.000
B    219 TYR CA  . - B    220 ALA CA  . mod.= 3.774 id.= 3.779 dev=  0.006 sig.= 0.000
B    219 TYR C   . - B    221 TYR N   . mod.= 4.685 id.= 4.683 dev= -0.002 sig.= 0.000
B    219 TYR O   . - B    220 ALA CA  . mod.= 2.716 id.= 2.720 dev=  0.004 sig.= 0.000
B    219 TYR O   . - B    220 ALA C   . mod.= 4.143 id.= 4.141 dev= -0.002 sig.= 0.000
B    219 TYR O   . - B    220 ALA O   . mod.= 4.834 id.= 4.831 dev= -0.002 sig.= 0.000
B    219 TYR O   . - B    221 TYR N   . mod.= 4.895 id.= 4.892 dev= -0.003 sig.= 0.000
B    220 ALA N   . - B    220 ALA O   . mod.= 2.775 id.= 2.778 dev=  0.004 sig.= 0.000
B    220 ALA N   . - B    221 TYR C   . mod.= 5.535 id.= 5.543 dev=  0.008 sig.= 0.000
B    220 ALA N   . - B    221 TYR O   . mod.= 5.606 id.= 5.612 dev=  0.007 sig.= 0.000
B    220 ALA CA  . - B    221 TYR CA  . mod.= 3.755 id.= 3.764 dev=  0.009 sig.= 0.000
B    220 ALA CA  . - B    221 TYR C   . mod.= 4.399 id.= 4.395 dev= -0.004 sig.= 0.000
B    220 ALA CA  . - B    221 TYR O   . mod.= 4.365 id.= 4.351 dev= -0.014 sig.= 0.000
B    220 ALA CA  . - B    222 MET N   . mod.= 5.447 id.= 5.440 dev= -0.007 sig.= 0.000
B    220 ALA C   . - B    221 TYR C   . mod.= 3.142 id.= 3.145 dev=  0.002 sig.= 0.000
B    220 ALA O   . - B    221 TYR CA  . mod.= 2.781 id.= 2.776 dev= -0.005 sig.= 0.000
B    220 ALA O   . - B    221 TYR C   . mod.= 3.314 id.= 3.318 dev=  0.004 sig.= 0.000
B    220 ALA O   . - B    222 MET N   . mod.= 3.883 id.= 3.885 dev=  0.002 sig.= 0.000
B    221 TYR N   . - B    221 TYR O   . mod.= 2.707 id.= 2.701 dev= -0.006 sig.= 0.000
B    221 TYR N   . - B    222 MET N   . mod.= 3.540 id.= 3.536 dev= -0.004 sig.= 0.000
B    221 TYR N   . - B    222 MET CA  . mod.= 4.794 id.= 4.787 dev= -0.007 sig.= 0.000
B    221 TYR N   . - B    222 MET C   . mod.= 5.916 id.= 5.911 dev= -0.004 sig.= 0.000
B    221 TYR CA  . - B    222 MET CA  . mod.= 3.795 id.= 3.801 dev=  0.006 sig.= 0.000
B    221 TYR CA  . - B    222 MET C   . mod.= 4.696 id.= 4.702 dev=  0.006 sig.= 0.000
B    221 TYR CA  . - B    222 MET O   . mod.= 4.731 id.= 4.737 dev=  0.006 sig.= 0.000
B    221 TYR CA  . - B    223 SER N   . mod.= 5.810 id.= 5.819 dev=  0.010 sig.= 0.000
B    221 TYR C   . - B    223 SER N   . mod.= 4.611 id.= 4.614 dev=  0.003 sig.= 0.000
B    221 TYR C   . - B    223 SER CA  . mod.= 5.912 id.= 5.914 dev=  0.002 sig.= 0.000
B    221 TYR O   . - B    222 MET CA  . mod.= 2.774 id.= 2.770 dev= -0.003 sig.= 0.000
B    221 TYR O   . - B    222 MET C   . mod.= 4.137 id.= 4.135 dev= -0.003 sig.= 0.000
B    222 MET N   . - B    223 SER N   . mod.= 3.562 id.= 3.567 dev=  0.005 sig.= 0.000
B    222 MET CA  . - B    223 SER O   . mod.= 4.684 id.= 4.682 dev= -0.002 sig.= 0.000
B    222 MET CA  . - B    224 GLY N   . mod.= 5.697 id.= 5.701 dev=  0.004 sig.= 0.000
B    222 MET C   . - B    223 SER C   . mod.= 3.470 id.= 3.473 dev=  0.003 sig.= 0.000
B    222 MET C   . - B    224 GLY N   . mod.= 4.424 id.= 4.430 dev=  0.006 sig.= 0.000
B    222 MET O   . - B    223 SER C   . mod.= 3.902 id.= 3.906 dev=  0.004 sig.= 0.000
B    222 MET O   . - B    224 GLY N   . mod.= 4.556 id.= 4.563 dev=  0.007 sig.= 0.000
B    222 MET O   . - B    227 MET CA  . mod.= 5.974 id.= 5.977 dev=  0.003 sig.= 0.000
B    223 SER N   . - B    224 GLY N   . mod.= 3.557 id.= 3.563 dev=  0.007 sig.= 0.000
B    223 SER N   . - B    224 GLY C   . mod.= 5.846 id.= 5.849 dev=  0.003 sig.= 0.000
B    223 SER N   . - B    224 GLY O   . mod.= 5.829 id.= 5.834 dev=  0.005 sig.= 0.000
B    223 SER CA  . - B    224 GLY C   . mod.= 4.830 id.= 4.828 dev= -0.003 sig.= 0.000
B    223 SER CA  . - B    224 GLY O   . mod.= 4.844 id.= 4.841 dev= -0.003 sig.= 0.000
B    223 SER C   . - B    225 THR N   . mod.= 4.755 id.= 4.761 dev=  0.006 sig.= 0.000
B    223 SER C   . - B    227 MET N   . mod.= 5.522 id.= 5.524 dev=  0.002 sig.= 0.000
B    223 SER C   . - B    227 MET CA  . mod.= 5.790 id.= 5.787 dev= -0.003 sig.= 0.000
B    223 SER O   . - B    224 GLY CA  . mod.= 2.689 id.= 2.685 dev= -0.003 sig.= 0.000
B    223 SER O   . - B    224 GLY O   . mod.= 4.619 id.= 4.616 dev= -0.003 sig.= 0.000
B    223 SER O   . - B    225 THR N   . mod.= 5.028 id.= 5.032 dev=  0.004 sig.= 0.000
B    223 SER O   . - B    227 MET N   . mod.= 5.835 id.= 5.832 dev= -0.002 sig.= 0.000
B    224 GLY N   . - B    224 GLY O   . mod.= 2.717 id.= 2.714 dev= -0.003 sig.= 0.000
B    224 GLY N   . - B    225 THR N   . mod.= 3.619 id.= 3.622 dev=  0.003 sig.= 0.000
B    224 GLY N   . - B    225 THR C   . mod.= 5.442 id.= 5.445 dev=  0.003 sig.= 0.000
B    224 GLY N   . - B    226 SER N   . mod.= 5.148 id.= 5.150 dev=  0.002 sig.= 0.000
B    224 GLY N   . - B    227 MET CA  . mod.= 5.187 id.= 5.184 dev= -0.003 sig.= 0.000
B    224 GLY CA  . - B    225 THR CA  . mod.= 3.784 id.= 3.789 dev=  0.004 sig.= 0.000
B    224 GLY CA  . - B    225 THR C   . mod.= 4.384 id.= 4.388 dev=  0.004 sig.= 0.000
B    224 GLY CA  . - B    225 THR O   . mod.= 5.424 id.= 5.428 dev=  0.003 sig.= 0.000
B    224 GLY CA  . - B    226 SER CA  . mod.= 5.067 id.= 5.065 dev= -0.003 sig.= 0.000
B    224 GLY CA  . - B    226 SER C   . mod.= 5.227 id.= 5.225 dev= -0.002 sig.= 0.000
B    224 GLY CA  . - B    227 MET N   . mod.= 4.423 id.= 4.420 dev= -0.002 sig.= 0.000
B    224 GLY CA  . - B    227 MET CA  . mod.= 5.192 id.= 5.184 dev= -0.008 sig.= 0.000
B    224 GLY C   . - B    225 THR C   . mod.= 3.119 id.= 3.126 dev=  0.007 sig.= 0.000
B    224 GLY C   . - B    225 THR O   . mod.= 4.070 id.= 4.075 dev=  0.005 sig.= 0.000
B    224 GLY C   . - B    226 SER N   . mod.= 3.127 id.= 3.130 dev=  0.004 sig.= 0.000
B    224 GLY C   . - B    226 SER C   . mod.= 4.494 id.= 4.496 dev=  0.002 sig.= 0.000
B    224 GLY C   . - B    227 MET CA  . mod.= 4.536 id.= 4.530 dev= -0.005 sig.= 0.000
B    224 GLY O   . - B    225 THR CA  . mod.= 2.819 id.= 2.825 dev=  0.005 sig.= 0.000
B    224 GLY O   . - B    225 THR C   . mod.= 3.180 id.= 3.187 dev=  0.007 sig.= 0.000
B    224 GLY O   . - B    225 THR O   . mod.= 3.811 id.= 3.815 dev=  0.004 sig.= 0.000
B    224 GLY O   . - B    226 SER N   . mod.= 3.355 id.= 3.357 dev=  0.002 sig.= 0.000
B    224 GLY O   . - B    226 SER O   . mod.= 5.227 id.= 5.224 dev= -0.003 sig.= 0.000
B    224 GLY O   . - B    227 MET CA  . mod.= 3.613 id.= 3.608 dev= -0.006 sig.= 0.000
B    225 THR N   . - B    226 SER CA  . mod.= 4.074 id.= 4.069 dev= -0.006 sig.= 0.000
B    225 THR N   . - B    226 SER C   . mod.= 4.666 id.= 4.669 dev=  0.003 sig.= 0.000
B    225 THR N   . - B    227 MET N   . mod.= 4.177 id.= 4.180 dev=  0.003 sig.= 0.000
B    225 THR N   . - B    227 MET C   . mod.= 5.608 id.= 5.610 dev=  0.003 sig.= 0.000
B    225 THR N   . - B    228 ALA N   . mod.= 4.814 id.= 4.816 dev=  0.002 sig.= 0.000
B    225 THR CA  . - B    226 SER CA  . mod.= 3.848 id.= 3.843 dev= -0.006 sig.= 0.000
B    225 THR CA  . - B    226 SER C   . mod.= 4.517 id.= 4.522 dev=  0.005 sig.= 0.000
B    225 THR CA  . - B    227 MET N   . mod.= 4.209 id.= 4.211 dev=  0.003 sig.= 0.000
B    225 THR CA  . - B    228 ALA N   . mod.= 4.287 id.= 4.289 dev=  0.002 sig.= 0.000
B    225 THR C   . - B    226 SER C   . mod.= 3.207 id.= 3.211 dev=  0.003 sig.= 0.000
B    225 THR C   . - B    227 MET N   . mod.= 3.235 id.= 3.238 dev=  0.003 sig.= 0.000
B    225 THR C   . - B    227 MET C   . mod.= 4.534 id.= 4.536 dev=  0.002 sig.= 0.000
B    225 THR C   . - B    227 MET O   . mod.= 5.676 id.= 5.679 dev=  0.003 sig.= 0.000
B    225 THR C   . - B    228 ALA N   . mod.= 3.634 id.= 3.637 dev=  0.003 sig.= 0.000
B    225 THR C   . - B    228 ALA CA  . mod.= 4.358 id.= 4.361 dev=  0.003 sig.= 0.000
B    225 THR O   . - B    226 SER CA  . mod.= 2.812 id.= 2.808 dev= -0.004 sig.= 0.000
B    225 THR O   . - B    226 SER C   . mod.= 3.251 id.= 3.256 dev=  0.004 sig.= 0.000
B    225 THR O   . - B    228 ALA C   . mod.= 3.769 id.= 3.767 dev= -0.002 sig.= 0.000
B    225 THR O   . - B    228 ALA O   . mod.= 4.972 id.= 4.977 dev=  0.005 sig.= 0.000
B    225 THR O   . - B    229 SER C   . mod.= 5.325 id.= 5.328 dev=  0.003 sig.= 0.000
B    226 SER N   . - B    226 SER O   . mod.= 3.599 id.= 3.602 dev=  0.002 sig.= 0.000
B    226 SER N   . - B    227 MET N   . mod.= 2.761 id.= 2.766 dev=  0.005 sig.= 0.000
B    226 SER N   . - B    228 ALA C   . mod.= 5.629 id.= 5.627 dev= -0.002 sig.= 0.000
B    226 SER CA  . - B    227 MET CA  . mod.= 3.872 id.= 3.882 dev=  0.010 sig.= 0.000
B    226 SER CA  . - B    227 MET C   . mod.= 4.483 id.= 4.490 dev=  0.008 sig.= 0.000
B    226 SER CA  . - B    227 MET O   . mod.= 5.536 id.= 5.544 dev=  0.008 sig.= 0.000
B    226 SER CA  . - B    228 ALA N   . mod.= 4.249 id.= 4.254 dev=  0.005 sig.= 0.000
B    226 SER CA  . - B    228 ALA CA  . mod.= 5.361 id.= 5.364 dev=  0.003 sig.= 0.000
B    226 SER CA  . - B    228 ALA C   . mod.= 5.570 id.= 5.572 dev=  0.002 sig.= 0.000
B    226 SER C   . - B    228 ALA CA  . mod.= 4.655 id.= 4.657 dev=  0.002 sig.= 0.000
B    226 SER C   . - B    229 SER CA  . mod.= 5.015 id.= 5.017 dev=  0.002 sig.= 0.000
B    226 SER C   . - B    229 SER C   . mod.= 5.671 id.= 5.673 dev=  0.003 sig.= 0.000
B    226 SER C   . - B    230 PRO N   . mod.= 5.173 id.= 5.179 dev=  0.006 sig.= 0.000
B    226 SER O   . - B    227 MET C   . mod.= 3.526 id.= 3.523 dev= -0.003 sig.= 0.000
B    226 SER O   . - B    227 MET O   . mod.= 4.213 id.= 4.209 dev= -0.004 sig.= 0.000
B    226 SER O   . - B    229 SER CA  . mod.= 4.876 id.= 4.878 dev=  0.002 sig.= 0.000
B    226 SER O   . - B    229 SER C   . mod.= 5.226 id.= 5.229 dev=  0.003 sig.= 0.000
B    226 SER O   . - B    230 PRO N   . mod.= 4.533 id.= 4.543 dev=  0.009 sig.= 0.000
B    226 SER O   . - B    230 PRO CA  . mod.= 5.455 id.= 5.466 dev=  0.011 sig.= 0.000
B    227 MET N   . - B    227 MET O   . mod.= 3.510 id.= 3.506 dev= -0.004 sig.= 0.000
B    227 MET N   . - B    228 ALA N   . mod.= 2.609 id.= 2.606 dev= -0.003 sig.= 0.000
B    227 MET N   . - B    228 ALA CA  . mod.= 4.047 id.= 4.044 dev= -0.003 sig.= 0.000
B    227 MET N   . - B    228 ALA C   . mod.= 4.703 id.= 4.699 dev= -0.004 sig.= 0.000
B    227 MET N   . - B    229 SER N   . mod.= 4.419 id.= 4.417 dev= -0.003 sig.= 0.000
B    227 MET N   . - B    229 SER CA  . mod.= 5.444 id.= 5.442 dev= -0.002 sig.= 0.000
B    227 MET N   . - B    230 PRO N   . mod.= 5.593 id.= 5.596 dev=  0.002 sig.= 0.000
B    227 MET CA  . - B    228 ALA O   . mod.= 5.414 id.= 5.417 dev=  0.003 sig.= 0.000
B    227 MET CA  . - B    230 PRO N   . mod.= 5.341 id.= 5.347 dev=  0.006 sig.= 0.000
B    227 MET C   . - B    228 ALA C   . mod.= 3.198 id.= 3.195 dev= -0.004 sig.= 0.000
B    227 MET C   . - B    229 SER N   . mod.= 3.564 id.= 3.560 dev= -0.004 sig.= 0.000
B    227 MET C   . - B    229 SER CA  . mod.= 4.745 id.= 4.740 dev= -0.004 sig.= 0.000
B    227 MET C   . - B    230 PRO C   . mod.= 5.886 id.= 5.890 dev=  0.003 sig.= 0.000
B    227 MET C   . - B    231 HIS N   . mod.= 5.247 id.= 5.255 dev=  0.007 sig.= 0.000
B    227 MET O   . - B    229 SER CA  . mod.= 4.891 id.= 4.888 dev= -0.003 sig.= 0.000
B    227 MET O   . - B    230 PRO C   . mod.= 5.043 id.= 5.046 dev=  0.003 sig.= 0.000
B    227 MET O   . - B    231 HIS N   . mod.= 4.339 id.= 4.348 dev=  0.009 sig.= 0.000
B    228 ALA N   . - B    228 ALA O   . mod.= 3.511 id.= 3.514 dev=  0.003 sig.= 0.000
B    228 ALA N   . - B    229 SER C   . mod.= 4.975 id.= 4.977 dev=  0.002 sig.= 0.000
B    228 ALA N   . - B    231 HIS N   . mod.= 5.598 id.= 5.602 dev=  0.004 sig.= 0.000
B    228 ALA CA  . - B    229 SER C   . mod.= 4.569 id.= 4.573 dev=  0.004 sig.= 0.000
B    228 ALA CA  . - B    230 PRO N   . mod.= 4.644 id.= 4.642 dev= -0.003 sig.= 0.000
B    228 ALA CA  . - B    231 HIS CA  . mod.= 5.663 id.= 5.654 dev= -0.009 sig.= 0.000
B    228 ALA C   . - B    229 SER C   . mod.= 3.163 id.= 3.167 dev=  0.004 sig.= 0.000
B    228 ALA C   . - B    230 PRO N   . mod.= 3.483 id.= 3.478 dev= -0.004 sig.= 0.000
B    228 ALA C   . - B    230 PRO CA  . mod.= 4.694 id.= 4.692 dev= -0.003 sig.= 0.000
B    228 ALA C   . - B    231 HIS N   . mod.= 4.065 id.= 4.062 dev= -0.003 sig.= 0.000
B    228 ALA C   . - B    231 HIS CA  . mod.= 4.820 id.= 4.811 dev= -0.009 sig.= 0.000
B    228 ALA C   . - B    232 VAL N   . mod.= 4.773 id.= 4.776 dev=  0.004 sig.= 0.000
B    228 ALA C   . - B    232 VAL CA  . mod.= 5.778 id.= 5.783 dev=  0.005 sig.= 0.000
B    228 ALA O   . - B    229 SER CA  . mod.= 2.887 id.= 2.892 dev=  0.005 sig.= 0.000
B    228 ALA O   . - B    229 SER C   . mod.= 3.073 id.= 3.081 dev=  0.008 sig.= 0.000
B    228 ALA O   . - B    229 SER O   . mod.= 3.472 id.= 3.475 dev=  0.003 sig.= 0.000
B    228 ALA O   . - B    230 PRO N   . mod.= 3.457 id.= 3.454 dev= -0.004 sig.= 0.000
B    228 ALA O   . - B    230 PRO CA  . mod.= 4.404 id.= 4.400 dev= -0.005 sig.= 0.000
B    228 ALA O   . - B    230 PRO C   . mod.= 4.270 id.= 4.263 dev= -0.007 sig.= 0.000
B    228 ALA O   . - B    230 PRO O   . mod.= 5.380 id.= 5.372 dev= -0.008 sig.= 0.000
B    228 ALA O   . - B    231 HIS N   . mod.= 3.250 id.= 3.238 dev= -0.013 sig.= 0.000
B    228 ALA O   . - B    231 HIS CA  . mod.= 3.773 id.= 3.755 dev= -0.018 sig.= 0.000
B    228 ALA O   . - B    231 HIS C   . mod.= 4.227 id.= 4.218 dev= -0.009 sig.= 0.000
B    228 ALA O   . - B    231 HIS O   . mod.= 5.447 id.= 5.442 dev= -0.005 sig.= 0.000
B    228 ALA O   . - B    232 VAL CA  . mod.= 4.737 id.= 4.740 dev=  0.003 sig.= 0.000
B    228 ALA O   . - B    232 VAL C   . mod.= 5.817 id.= 5.822 dev=  0.005 sig.= 0.000
B    228 ALA O   . - B    233 ALA N   . mod.= 5.655 id.= 5.659 dev=  0.004 sig.= 0.000
B    229 SER N   . - B    230 PRO N   . mod.= 3.099 id.= 3.096 dev= -0.003 sig.= 0.000
B    229 SER N   . - B    231 HIS CA  . mod.= 5.583 id.= 5.575 dev= -0.008 sig.= 0.000
B    229 SER CA  . - B    230 PRO CA  . mod.= 3.907 id.= 3.903 dev= -0.003 sig.= 0.000
B    229 SER CA  . - B    231 HIS CA  . mod.= 5.530 id.= 5.521 dev= -0.008 sig.= 0.000
B    229 SER CA  . - B    231 HIS C   . mod.= 5.679 id.= 5.675 dev= -0.004 sig.= 0.000
B    229 SER CA  . - B    232 VAL C   . mod.= 5.896 id.= 5.900 dev=  0.004 sig.= 0.000
B    229 SER CA  . - B    233 ALA N   . mod.= 5.348 id.= 5.352 dev=  0.004 sig.= 0.000
B    229 SER C   . - B    230 PRO C   . mod.= 3.233 id.= 3.228 dev= -0.004 sig.= 0.000
B    229 SER C   . - B    230 PRO O   . mod.= 4.250 id.= 4.245 dev= -0.004 sig.= 0.000
B    229 SER C   . - B    231 HIS CA  . mod.= 4.498 id.= 4.493 dev= -0.005 sig.= 0.000
B    229 SER C   . - B    231 HIS O   . mod.= 5.692 id.= 5.694 dev=  0.002 sig.= 0.000
B    229 SER C   . - B    232 VAL N   . mod.= 3.838 id.= 3.842 dev=  0.004 sig.= 0.000
B    229 SER C   . - B    232 VAL CA  . mod.= 4.550 id.= 4.553 dev=  0.003 sig.= 0.000
B    229 SER C   . - B    232 VAL C   . mod.= 4.829 id.= 4.834 dev=  0.005 sig.= 0.000
B    229 SER C   . - B    233 ALA N   . mod.= 4.074 id.= 4.077 dev=  0.003 sig.= 0.000
B    229 SER C   . - B    233 ALA CA  . mod.= 4.919 id.= 4.921 dev=  0.002 sig.= 0.000
B    229 SER O   . - B    230 PRO CA  . mod.= 2.820 id.= 2.814 dev= -0.005 sig.= 0.000
B    229 SER O   . - B    230 PRO C   . mod.= 3.174 id.= 3.171 dev= -0.003 sig.= 0.000
B    229 SER O   . - B    230 PRO O   . mod.= 3.960 id.= 3.957 dev= -0.003 sig.= 0.000
B    229 SER O   . - B    231 HIS N   . mod.= 3.272 id.= 3.270 dev= -0.002 sig.= 0.000
B    229 SER O   . - B    231 HIS CA  . mod.= 4.259 id.= 4.253 dev= -0.006 sig.= 0.000
B    229 SER O   . - B    231 HIS C   . mod.= 3.985 id.= 3.980 dev= -0.004 sig.= 0.000
B    229 SER O   . - B    232 VAL CA  . mod.= 3.486 id.= 3.483 dev= -0.003 sig.= 0.000
B    229 SER O   . - B    232 VAL C   . mod.= 3.650 id.= 3.652 dev=  0.002 sig.= 0.000
B    229 SER O   . - B    232 VAL O   . mod.= 4.839 id.= 4.843 dev=  0.004 sig.= 0.000
B    229 SER O   . - B    233 ALA N   . mod.= 2.962 id.= 2.964 dev=  0.003 sig.= 0.000
B    229 SER O   . - B    233 ALA CA  . mod.= 3.925 id.= 3.929 dev=  0.004 sig.= 0.000
B    229 SER O   . - B    233 ALA C   . mod.= 5.154 id.= 5.157 dev=  0.003 sig.= 0.000
B    230 PRO N   . - B    230 PRO O   . mod.= 3.651 id.= 3.654 dev=  0.003 sig.= 0.000
B    230 PRO N   . - B    231 HIS N   . mod.= 2.815 id.= 2.822 dev=  0.008 sig.= 0.000
B    230 PRO N   . - B    231 HIS CA  . mod.= 4.258 id.= 4.253 dev= -0.004 sig.= 0.000
B    230 PRO N   . - B    231 HIS C   . mod.= 4.756 id.= 4.759 dev=  0.003 sig.= 0.000
B    230 PRO N   . - B    231 HIS O   . mod.= 5.796 id.= 5.798 dev=  0.002 sig.= 0.000
B    230 PRO N   . - B    233 ALA CA  . mod.= 5.211 id.= 5.213 dev=  0.002 sig.= 0.000
B    230 PRO N   . - B    234 GLY N   . mod.= 5.850 id.= 5.853 dev=  0.003 sig.= 0.000
B    230 PRO CA  . - B    231 HIS C   . mod.= 4.358 id.= 4.365 dev=  0.006 sig.= 0.000
B    230 PRO CA  . - B    231 HIS O   . mod.= 5.194 id.= 5.196 dev=  0.002 sig.= 0.000
B    230 PRO CA  . - B    232 VAL CA  . mod.= 5.234 id.= 5.231 dev= -0.003 sig.= 0.000
B    230 PRO CA  . - B    233 ALA N   . mod.= 4.050 id.= 4.047 dev= -0.003 sig.= 0.000
B    230 PRO CA  . - B    233 ALA CA  . mod.= 4.477 id.= 4.475 dev= -0.003 sig.= 0.000
B    230 PRO C   . - B    231 HIS C   . mod.= 3.048 id.= 3.055 dev=  0.007 sig.= 0.000
B    230 PRO C   . - B    233 ALA N   . mod.= 3.581 id.= 3.578 dev= -0.003 sig.= 0.000
B    230 PRO C   . - B    233 ALA CA  . mod.= 4.216 id.= 4.213 dev= -0.003 sig.= 0.000
B    230 PRO C   . - B    234 GLY CA  . mod.= 4.686 id.= 4.683 dev= -0.002 sig.= 0.000
B    230 PRO O   . - B    231 HIS C   . mod.= 3.152 id.= 3.160 dev=  0.008 sig.= 0.000
B    230 PRO O   . - B    233 ALA N   . mod.= 3.402 id.= 3.398 dev= -0.005 sig.= 0.000
B    230 PRO O   . - B    233 ALA CA  . mod.= 3.748 id.= 3.743 dev= -0.004 sig.= 0.000
B    230 PRO O   . - B    234 GLY CA  . mod.= 3.533 id.= 3.531 dev= -0.002 sig.= 0.000
B    231 HIS N   . - B    231 HIS O   . mod.= 3.435 id.= 3.429 dev= -0.006 sig.= 0.000
B    231 HIS N   . - B    232 VAL N   . mod.= 2.742 id.= 2.737 dev= -0.005 sig.= 0.000
B    231 HIS N   . - B    232 VAL CA  . mod.= 4.122 id.= 4.117 dev= -0.006 sig.= 0.000
B    231 HIS N   . - B    232 VAL O   . mod.= 5.692 id.= 5.689 dev= -0.002 sig.= 0.000
B    231 HIS N   . - B    233 ALA N   . mod.= 4.048 id.= 4.046 dev= -0.002 sig.= 0.000
B    231 HIS N   . - B    234 GLY CA  . mod.= 5.359 id.= 5.357 dev= -0.003 sig.= 0.000
B    231 HIS N   . - B    235 LEU N   . mod.= 5.994 id.= 5.990 dev= -0.004 sig.= 0.000
B    231 HIS CA  . - B    232 VAL CA  . mod.= 3.838 id.= 3.843 dev=  0.005 sig.= 0.000
B    231 HIS CA  . - B    232 VAL C   . mod.= 4.502 id.= 4.508 dev=  0.007 sig.= 0.000
B    231 HIS CA  . - B    232 VAL O   . mod.= 5.451 id.= 5.457 dev=  0.007 sig.= 0.000
B    231 HIS CA  . - B    233 ALA N   . mod.= 4.345 id.= 4.348 dev=  0.002 sig.= 0.000
B    231 HIS CA  . - B    233 ALA CA  . mod.= 5.424 id.= 5.426 dev=  0.002 sig.= 0.000
B    231 HIS CA  . - B    233 ALA C   . mod.= 5.533 id.= 5.538 dev=  0.005 sig.= 0.000
B    231 HIS CA  . - B    234 GLY N   . mod.= 4.558 id.= 4.562 dev=  0.005 sig.= 0.000
B    231 HIS CA  . - B    234 GLY CA  . mod.= 5.054 id.= 5.058 dev=  0.004 sig.= 0.000
B    231 HIS CA  . - B    234 GLY C   . mod.= 5.724 id.= 5.729 dev=  0.005 sig.= 0.000
B    231 HIS CA  . - B    235 LEU N   . mod.= 5.255 id.= 5.263 dev=  0.008 sig.= 0.000
B    231 HIS C   . - B    232 VAL C   . mod.= 3.157 id.= 3.155 dev= -0.003 sig.= 0.000
B    231 HIS C   . - B    232 VAL O   . mod.= 4.017 id.= 4.014 dev= -0.004 sig.= 0.000
B    231 HIS C   . - B    233 ALA C   . mod.= 4.682 id.= 4.684 dev=  0.003 sig.= 0.000
B    231 HIS C   . - B    233 ALA O   . mod.= 5.773 id.= 5.776 dev=  0.003 sig.= 0.000
B    231 HIS C   . - B    234 GLY N   . mod.= 3.877 id.= 3.882 dev=  0.005 sig.= 0.000
B    231 HIS C   . - B    234 GLY CA  . mod.= 4.510 id.= 4.515 dev=  0.005 sig.= 0.000
B    231 HIS C   . - B    234 GLY C   . mod.= 4.886 id.= 4.889 dev=  0.002 sig.= 0.000
B    231 HIS C   . - B    235 LEU N   . mod.= 4.166 id.= 4.168 dev=  0.003 sig.= 0.000
B    231 HIS O   . - B    232 VAL CA  . mod.= 2.800 id.= 2.805 dev=  0.004 sig.= 0.000
B    231 HIS O   . - B    232 VAL C   . mod.= 3.166 id.= 3.169 dev=  0.003 sig.= 0.000
B    231 HIS O   . - B    234 GLY CA  . mod.= 3.764 id.= 3.762 dev= -0.002 sig.= 0.000
B    231 HIS O   . - B    234 GLY C   . mod.= 3.865 id.= 3.862 dev= -0.003 sig.= 0.000
B    232 VAL CA  . - B    235 LEU N   . mod.= 4.480 id.= 4.484 dev=  0.004 sig.= 0.000
B    232 VAL CA  . - B    235 LEU C   . mod.= 5.580 id.= 5.582 dev=  0.002 sig.= 0.000
B    232 VAL CA  . - B    236 ALA N   . mod.= 5.099 id.= 5.102 dev=  0.003 sig.= 0.000
B    232 VAL C   . - B    234 GLY O   . mod.= 5.638 id.= 5.640 dev=  0.003 sig.= 0.000
B    232 VAL C   . - B    235 LEU N   . mod.= 3.815 id.= 3.817 dev=  0.002 sig.= 0.000
B    232 VAL C   . - B    235 LEU O   . mod.= 5.952 id.= 5.954 dev=  0.002 sig.= 0.000
B    232 VAL C   . - B    236 ALA CA  . mod.= 4.873 id.= 4.876 dev=  0.003 sig.= 0.000
B    232 VAL C   . - B    237 ALA N   . mod.= 5.969 id.= 5.972 dev=  0.003 sig.= 0.000
B    232 VAL O   . - B    233 ALA CA  . mod.= 2.828 id.= 2.830 dev=  0.002 sig.= 0.000
B    232 VAL O   . - B    235 LEU CA  . mod.= 3.748 id.= 3.744 dev= -0.004 sig.= 0.000
B    232 VAL O   . - B    236 ALA CA  . mod.= 3.712 id.= 3.715 dev=  0.003 sig.= 0.000
B    232 VAL O   . - B    237 ALA N   . mod.= 5.070 id.= 5.073 dev=  0.003 sig.= 0.000
B    233 ALA N   . - B    234 GLY N   . mod.= 2.766 id.= 2.763 dev= -0.004 sig.= 0.000
B    233 ALA N   . - B    234 GLY CA  . mod.= 4.159 id.= 4.156 dev= -0.003 sig.= 0.000
B    233 ALA N   . - B    235 LEU CA  . mod.= 5.226 id.= 5.224 dev= -0.002 sig.= 0.000
B    233 ALA N   . - B    236 ALA CA  . mod.= 5.414 id.= 5.418 dev=  0.004 sig.= 0.000
B    233 ALA CA  . - B    234 GLY CA  . mod.= 3.847 id.= 3.844 dev= -0.003 sig.= 0.000
B    233 ALA CA  . - B    235 LEU CA  . mod.= 5.440 id.= 5.437 dev= -0.003 sig.= 0.000
B    233 ALA CA  . - B    236 ALA CA  . mod.= 4.946 id.= 4.950 dev=  0.004 sig.= 0.000
B    233 ALA CA  . - B    236 ALA C   . mod.= 5.630 id.= 5.634 dev=  0.003 sig.= 0.000
B    233 ALA C   . - B    234 GLY C   . mod.= 3.102 id.= 3.105 dev=  0.003 sig.= 0.000
B    233 ALA C   . - B    235 LEU CA  . mod.= 4.530 id.= 4.528 dev= -0.003 sig.= 0.000
B    233 ALA C   . - B    235 LEU C   . mod.= 4.586 id.= 4.583 dev= -0.002 sig.= 0.000
B    233 ALA C   . - B    236 ALA C   . mod.= 4.803 id.= 4.806 dev=  0.002 sig.= 0.000
B    233 ALA O   . - B    234 GLY C   . mod.= 3.145 id.= 3.148 dev=  0.004 sig.= 0.000
B    233 ALA O   . - B    235 LEU CA  . mod.= 4.517 id.= 4.514 dev= -0.003 sig.= 0.000
B    233 ALA O   . - B    235 LEU C   . mod.= 4.219 id.= 4.216 dev= -0.003 sig.= 0.000
B    233 ALA O   . - B    236 ALA O   . mod.= 4.946 id.= 4.951 dev=  0.005 sig.= 0.000
B    233 ALA O   . - B    238 LEU N   . mod.= 5.260 id.= 5.258 dev= -0.002 sig.= 0.000
B    234 GLY N   . - B    235 LEU CA  . mod.= 4.223 id.= 4.221 dev= -0.002 sig.= 0.000
B    234 GLY N   . - B    235 LEU C   . mod.= 4.706 id.= 4.703 dev= -0.003 sig.= 0.000
B    234 GLY CA  . - B    235 LEU C   . mod.= 4.512 id.= 4.509 dev= -0.002 sig.= 0.000
B    234 GLY CA  . - B    236 ALA C   . mod.= 5.555 id.= 5.557 dev=  0.002 sig.= 0.000
B    234 GLY C   . - B    235 LEU C   . mod.= 3.149 id.= 3.145 dev= -0.003 sig.= 0.000
B    234 GLY C   . - B    236 ALA CA  . mod.= 4.530 id.= 4.533 dev=  0.003 sig.= 0.000
B    234 GLY C   . - B    236 ALA C   . mod.= 4.636 id.= 4.640 dev=  0.004 sig.= 0.000
B    234 GLY C   . - B    236 ALA O   . mod.= 5.722 id.= 5.726 dev=  0.003 sig.= 0.000
B    234 GLY C   . - B    237 ALA CA  . mod.= 4.450 id.= 4.454 dev=  0.003 sig.= 0.000
B    234 GLY C   . - B    238 LEU CA  . mod.= 5.175 id.= 5.173 dev= -0.002 sig.= 0.000
B    234 GLY O   . - B    235 LEU CA  . mod.= 2.846 id.= 2.848 dev=  0.002 sig.= 0.000
B    234 GLY O   . - B    236 ALA CA  . mod.= 4.478 id.= 4.480 dev=  0.002 sig.= 0.000
B    234 GLY O   . - B    236 ALA C   . mod.= 4.204 id.= 4.206 dev=  0.002 sig.= 0.000
B    234 GLY O   . - B    236 ALA O   . mod.= 5.145 id.= 5.148 dev=  0.003 sig.= 0.000
B    234 GLY O   . - B    237 ALA N   . mod.= 3.232 id.= 3.230 dev= -0.002 sig.= 0.000
B    234 GLY O   . - B    238 LEU N   . mod.= 3.047 id.= 3.044 dev= -0.003 sig.= 0.000
B    234 GLY O   . - B    238 LEU CA  . mod.= 4.057 id.= 4.054 dev= -0.003 sig.= 0.000
B    234 GLY O   . - B    238 LEU C   . mod.= 5.289 id.= 5.286 dev= -0.003 sig.= 0.000
B    234 GLY O   . - B    239 LEU N   . mod.= 5.311 id.= 5.308 dev= -0.003 sig.= 0.000
B    235 LEU N   . - B    236 ALA CA  . mod.= 4.214 id.= 4.217 dev=  0.003 sig.= 0.000
B    235 LEU CA  . - B    236 ALA O   . mod.= 5.335 id.= 5.331 dev= -0.004 sig.= 0.000
B    235 LEU CA  . - B    238 LEU CA  . mod.= 4.986 id.= 4.989 dev=  0.003 sig.= 0.000
B    235 LEU C   . - B    236 ALA O   . mod.= 3.898 id.= 3.894 dev= -0.004 sig.= 0.000
B    235 LEU C   . - B    238 LEU CA  . mod.= 4.486 id.= 4.489 dev=  0.003 sig.= 0.000
B    235 LEU C   . - B    239 LEU CA  . mod.= 5.051 id.= 5.049 dev= -0.002 sig.= 0.000
B    235 LEU O   . - B    236 ALA O   . mod.= 3.530 id.= 3.523 dev= -0.008 sig.= 0.000
B    235 LEU O   . - B    238 LEU CA  . mod.= 3.671 id.= 3.673 dev=  0.002 sig.= 0.000
B    235 LEU O   . - B    239 LEU CA  . mod.= 3.918 id.= 3.912 dev= -0.007 sig.= 0.000
B    235 LEU O   . - B    239 LEU C   . mod.= 5.056 id.= 5.051 dev= -0.005 sig.= 0.000
B    235 LEU O   . - B    240 ALA N   . mod.= 5.032 id.= 5.028 dev= -0.004 sig.= 0.000
B    236 ALA N   . - B    237 ALA N   . mod.= 2.739 id.= 2.742 dev=  0.004 sig.= 0.000
B    236 ALA CA  . - B    238 LEU CA  . mod.= 5.531 id.= 5.534 dev=  0.002 sig.= 0.000
B    236 ALA CA  . - B    239 LEU CA  . mod.= 5.070 id.= 5.073 dev=  0.002 sig.= 0.000
B    236 ALA CA  . - B    249 ILE O   . mod.= 5.946 id.= 5.960 dev=  0.014 sig.= 0.000
B    236 ALA C   . - B    238 LEU CA  . mod.= 4.624 id.= 4.626 dev=  0.002 sig.= 0.000
B    236 ALA C   . - B    239 LEU CA  . mod.= 4.464 id.= 4.467 dev=  0.003 sig.= 0.000
B    236 ALA C   . - B    239 LEU O   . mod.= 5.931 id.= 5.934 dev=  0.003 sig.= 0.000
B    236 ALA O   . - B    237 ALA CA  . mod.= 2.838 id.= 2.847 dev=  0.009 sig.= 0.000
B    236 ALA O   . - B    237 ALA C   . mod.= 3.196 id.= 3.202 dev=  0.006 sig.= 0.000
B    236 ALA O   . - B    237 ALA O   . mod.= 3.725 id.= 3.730 dev=  0.005 sig.= 0.000
B    236 ALA O   . - B    238 LEU N   . mod.= 3.605 id.= 3.608 dev=  0.003 sig.= 0.000
B    236 ALA O   . - B    238 LEU CA  . mod.= 4.590 id.= 4.592 dev=  0.002 sig.= 0.000
B    236 ALA O   . - B    239 LEU N   . mod.= 3.374 id.= 3.371 dev= -0.002 sig.= 0.000
B    236 ALA O   . - B    249 ILE CA  . mod.= 5.848 id.= 5.854 dev=  0.006 sig.= 0.000
B    237 ALA N   . - B    237 ALA O   . mod.= 3.535 id.= 3.531 dev= -0.003 sig.= 0.000
B    237 ALA N   . - B    238 LEU N   . mod.= 2.839 id.= 2.837 dev= -0.002 sig.= 0.000
B    237 ALA N   . - B    239 LEU CA  . mod.= 5.185 id.= 5.189 dev=  0.004 sig.= 0.000
B    237 ALA N   . - B    239 LEU C   . mod.= 5.450 id.= 5.453 dev=  0.003 sig.= 0.000
B    237 ALA N   . - B    240 ALA N   . mod.= 4.584 id.= 4.586 dev=  0.003 sig.= 0.000
B    237 ALA N   . - B    240 ALA CA  . mod.= 5.349 id.= 5.352 dev=  0.003 sig.= 0.000
B    237 ALA CA  . - B    238 LEU O   . mod.= 5.317 id.= 5.315 dev= -0.002 sig.= 0.000
B    237 ALA CA  . - B    240 ALA CA  . mod.= 4.864 id.= 4.868 dev=  0.005 sig.= 0.000
B    237 ALA C   . - B    238 LEU O   . mod.= 3.863 id.= 3.861 dev= -0.003 sig.= 0.000
B    237 ALA C   . - B    240 ALA CA  . mod.= 4.450 id.= 4.454 dev=  0.004 sig.= 0.000
B    237 ALA C   . - B    241 SER N   . mod.= 4.245 id.= 4.243 dev= -0.002 sig.= 0.000
B    237 ALA C   . - B    241 SER CA  . mod.= 5.226 id.= 5.224 dev= -0.003 sig.= 0.000
B    237 ALA O   . - B    238 LEU C   . mod.= 3.108 id.= 3.111 dev=  0.003 sig.= 0.000
B    237 ALA O   . - B    240 ALA CA  . mod.= 3.814 id.= 3.819 dev=  0.005 sig.= 0.000
B    237 ALA O   . - B    240 ALA C   . mod.= 3.851 id.= 3.854 dev=  0.003 sig.= 0.000
B    237 ALA O   . - B    240 ALA O   . mod.= 4.965 id.= 4.968 dev=  0.003 sig.= 0.000
B    237 ALA O   . - B    241 SER CA  . mod.= 4.077 id.= 4.075 dev= -0.002 sig.= 0.000
B    237 ALA O   . - B    241 SER C   . mod.= 5.375 id.= 5.373 dev= -0.003 sig.= 0.000
B    237 ALA O   . - B    242 GLN N   . mod.= 5.578 id.= 5.575 dev= -0.003 sig.= 0.000
B    238 LEU N   . - B    239 LEU CA  . mod.= 4.167 id.= 4.164 dev= -0.003 sig.= 0.000
B    238 LEU N   . - B    240 ALA CA  . mod.= 5.228 id.= 5.230 dev=  0.002 sig.= 0.000
B    238 LEU CA  . - B    239 LEU CA  . mod.= 3.847 id.= 3.842 dev= -0.005 sig.= 0.000
B    238 LEU CA  . - B    239 LEU C   . mod.= 4.519 id.= 4.517 dev= -0.002 sig.= 0.000
B    238 LEU CA  . - B    239 LEU O   . mod.= 5.456 id.= 5.452 dev= -0.004 sig.= 0.000
B    238 LEU CA  . - B    240 ALA C   . mod.= 5.594 id.= 5.596 dev=  0.002 sig.= 0.000
B    238 LEU CA  . - B    241 SER CA  . mod.= 5.309 id.= 5.312 dev=  0.003 sig.= 0.000
B    238 LEU CA  . - B    242 GLN N   . mod.= 5.964 id.= 5.962 dev= -0.002 sig.= 0.000
B    238 LEU C   . - B    239 LEU C   . mod.= 3.160 id.= 3.157 dev= -0.003 sig.= 0.000
B    238 LEU C   . - B    239 LEU O   . mod.= 4.001 id.= 3.996 dev= -0.005 sig.= 0.000
B    238 LEU C   . - B    240 ALA C   . mod.= 4.695 id.= 4.698 dev=  0.003 sig.= 0.000
B    238 LEU C   . - B    241 SER CA  . mod.= 4.632 id.= 4.638 dev=  0.005 sig.= 0.000
B    238 LEU C   . - B    242 GLN CA  . mod.= 5.818 id.= 5.811 dev= -0.007 sig.= 0.000
B    238 LEU O   . - B    239 LEU CA  . mod.= 2.870 id.= 2.867 dev= -0.003 sig.= 0.000
B    238 LEU O   . - B    239 LEU C   . mod.= 3.177 id.= 3.175 dev= -0.002 sig.= 0.000
B    238 LEU O   . - B    239 LEU O   . mod.= 3.674 id.= 3.669 dev= -0.005 sig.= 0.000
B    238 LEU O   . - B    241 SER CA  . mod.= 3.761 id.= 3.766 dev=  0.005 sig.= 0.000
B    238 LEU O   . - B    241 SER O   . mod.= 5.194 id.= 5.191 dev= -0.003 sig.= 0.000
B    238 LEU O   . - B    242 GLN CA  . mod.= 4.748 id.= 4.741 dev= -0.007 sig.= 0.000
B    238 LEU O   . - B    242 GLN C   . mod.= 5.905 id.= 5.902 dev= -0.004 sig.= 0.000
B    239 LEU N   . - B    239 LEU O   . mod.= 3.516 id.= 3.512 dev= -0.004 sig.= 0.000
B    239 LEU N   . - B    240 ALA CA  . mod.= 4.186 id.= 4.184 dev= -0.003 sig.= 0.000
B    239 LEU N   . - B    240 ALA O   . mod.= 5.891 id.= 5.889 dev= -0.002 sig.= 0.000
B    239 LEU CA  . - B    240 ALA C   . mod.= 4.487 id.= 4.489 dev=  0.002 sig.= 0.000
B    239 LEU CA  . - B    241 SER CA  . mod.= 5.426 id.= 5.429 dev=  0.003 sig.= 0.000
B    239 LEU CA  . - B    241 SER C   . mod.= 5.640 id.= 5.642 dev=  0.002 sig.= 0.000
B    239 LEU CA  . - B    242 GLN N   . mod.= 4.757 id.= 4.763 dev=  0.006 sig.= 0.000
B    239 LEU CA  . - B    244 ARG N   . mod.= 5.938 id.= 5.934 dev= -0.003 sig.= 0.000
B    239 LEU CA  . - B    249 ILE CA  . mod.= 5.854 id.= 5.849 dev= -0.005 sig.= 0.000
B    239 LEU CA  . - B    278 VAL CA  . mod.= 5.943 id.= 5.974 dev=  0.030 sig.= 0.000
B    239 LEU C   . - B    240 ALA O   . mod.= 4.082 id.= 4.079 dev= -0.003 sig.= 0.000
B    239 LEU C   . - B    242 GLN N   . mod.= 3.899 id.= 3.902 dev=  0.004 sig.= 0.000
B    239 LEU C   . - B    242 GLN C   . mod.= 5.075 id.= 5.079 dev=  0.003 sig.= 0.000
B    239 LEU C   . - B    242 GLN O   . mod.= 5.926 id.= 5.933 dev=  0.007 sig.= 0.000
B    239 LEU C   . - B    243 GLY N   . mod.= 4.889 id.= 4.892 dev=  0.002 sig.= 0.000
B    239 LEU C   . - B    244 ARG N   . mod.= 4.701 id.= 4.697 dev= -0.004 sig.= 0.000
B    239 LEU C   . - B    244 ARG C   . mod.= 5.451 id.= 5.445 dev= -0.005 sig.= 0.000
B    239 LEU C   . - B    244 ARG O   . mod.= 4.910 id.= 4.903 dev= -0.007 sig.= 0.000
B    239 LEU O   . - B    242 GLN N   . mod.= 3.223 id.= 3.226 dev=  0.003 sig.= 0.000
B    239 LEU O   . - B    242 GLN C   . mod.= 3.953 id.= 3.956 dev=  0.003 sig.= 0.000
B    239 LEU O   . - B    242 GLN O   . mod.= 4.727 id.= 4.733 dev=  0.006 sig.= 0.000
B    239 LEU O   . - B    243 GLY N   . mod.= 3.868 id.= 3.871 dev=  0.003 sig.= 0.000
B    239 LEU O   . - B    244 ARG N   . mod.= 3.656 id.= 3.651 dev= -0.004 sig.= 0.000
B    239 LEU O   . - B    244 ARG CA  . mod.= 4.191 id.= 4.188 dev= -0.002 sig.= 0.000
B    239 LEU O   . - B    244 ARG C   . mod.= 4.794 id.= 4.789 dev= -0.005 sig.= 0.000
B    239 LEU O   . - B    244 ARG O   . mod.= 4.442 id.= 4.436 dev= -0.006 sig.= 0.000
B    240 ALA N   . - B    240 ALA O   . mod.= 3.579 id.= 3.575 dev= -0.004 sig.= 0.000
B    240 ALA N   . - B    241 SER CA  . mod.= 4.263 id.= 4.261 dev= -0.003 sig.= 0.000
B    240 ALA N   . - B    242 GLN C   . mod.= 5.689 id.= 5.692 dev=  0.003 sig.= 0.000
B    240 ALA N   . - B    243 GLY N   . mod.= 5.216 id.= 5.218 dev=  0.002 sig.= 0.000
B    240 ALA N   . - B    244 ARG CA  . mod.= 5.595 id.= 5.598 dev=  0.004 sig.= 0.000
B    240 ALA CA  . - B    242 GLN C   . mod.= 5.338 id.= 5.340 dev=  0.002 sig.= 0.000
B    240 ALA CA  . - B    243 GLY N   . mod.= 4.553 id.= 4.555 dev=  0.002 sig.= 0.000
B    240 ALA CA  . - B    244 ARG N   . mod.= 4.597 id.= 4.600 dev=  0.003 sig.= 0.000
B    240 ALA CA  . - B    244 ARG CA  . mod.= 5.217 id.= 5.221 dev=  0.004 sig.= 0.000
B    240 ALA CA  . - B    244 ARG C   . mod.= 5.034 id.= 5.037 dev=  0.004 sig.= 0.000
B    240 ALA C   . - B    241 SER C   . mod.= 3.211 id.= 3.214 dev=  0.003 sig.= 0.000
B    240 ALA C   . - B    244 ARG N   . mod.= 4.650 id.= 4.653 dev=  0.002 sig.= 0.000
B    240 ALA C   . - B    244 ARG CA  . mod.= 5.640 id.= 5.643 dev=  0.003 sig.= 0.000
B    240 ALA C   . - B    244 ARG C   . mod.= 5.679 id.= 5.681 dev=  0.002 sig.= 0.000
B    240 ALA O   . - B    241 SER C   . mod.= 3.234 id.= 3.239 dev=  0.005 sig.= 0.000
B    240 ALA O   . - B    241 SER O   . mod.= 3.933 id.= 3.935 dev=  0.002 sig.= 0.000
B    240 ALA O   . - B    242 GLN CA  . mod.= 4.363 id.= 4.365 dev=  0.003 sig.= 0.000
B    240 ALA O   . - B    243 GLY CA  . mod.= 3.556 id.= 3.554 dev= -0.002 sig.= 0.000
B    240 ALA O   . - B    243 GLY O   . mod.= 5.176 id.= 5.173 dev= -0.003 sig.= 0.000
B    240 ALA O   . - B    244 ARG N   . mod.= 4.210 id.= 4.212 dev=  0.002 sig.= 0.000
B    240 ALA O   . - B    244 ARG CA  . mod.= 5.347 id.= 5.349 dev=  0.002 sig.= 0.000
B    240 ALA O   . - B    244 ARG O   . mod.= 4.511 id.= 4.508 dev= -0.002 sig.= 0.000
B    241 SER N   . - B    241 SER O   . mod.= 3.610 id.= 3.606 dev= -0.004 sig.= 0.000
B    241 SER CA  . - B    242 GLN CA  . mod.= 3.835 id.= 3.833 dev= -0.002 sig.= 0.000
B    241 SER CA  . - B    242 GLN C   . mod.= 4.524 id.= 4.520 dev= -0.003 sig.= 0.000
B    241 SER CA  . - B    242 GLN O   . mod.= 5.751 id.= 5.747 dev= -0.004 sig.= 0.000
B    241 SER CA  . - B    243 GLY N   . mod.= 4.108 id.= 4.106 dev= -0.002 sig.= 0.000
B    241 SER CA  . - B    243 GLY CA  . mod.= 5.266 id.= 5.262 dev= -0.004 sig.= 0.000
B    241 SER C   . - B    242 GLN C   . mod.= 3.286 id.= 3.282 dev= -0.004 sig.= 0.000
B    241 SER C   . - B    242 GLN O   . mod.= 4.462 id.= 4.458 dev= -0.004 sig.= 0.000
B    241 SER O   . - B    242 GLN O   . mod.= 4.483 id.= 4.481 dev= -0.003 sig.= 0.000
B    241 SER O   . - B    243 GLY CA  . mod.= 4.600 id.= 4.602 dev=  0.002 sig.= 0.000
B    242 GLN N   . - B    243 GLY C   . mod.= 4.984 id.= 4.982 dev= -0.002 sig.= 0.000
B    242 GLN N   . - B    244 ARG N   . mod.= 4.689 id.= 4.686 dev= -0.003 sig.= 0.000
B    242 GLN CA  . - B    243 GLY CA  . mod.= 3.830 id.= 3.834 dev=  0.004 sig.= 0.000
B    242 GLN CA  . - B    244 ARG N   . mod.= 4.412 id.= 4.410 dev= -0.002 sig.= 0.000
B    242 GLN O   . - B    244 ARG CA  . mod.= 4.496 id.= 4.499 dev=  0.004 sig.= 0.000
B    243 GLY N   . - B    243 GLY O   . mod.= 3.642 id.= 3.639 dev= -0.003 sig.= 0.000
B    243 GLY N   . - B    244 ARG CA  . mod.= 4.219 id.= 4.221 dev=  0.002 sig.= 0.000
B    243 GLY N   . - B    244 ARG O   . mod.= 4.831 id.= 4.828 dev= -0.002 sig.= 0.000
B    243 GLY CA  . - B    244 ARG CA  . mod.= 3.806 id.= 3.809 dev=  0.003 sig.= 0.000
B    243 GLY CA  . - B    244 ARG O   . mod.= 4.352 id.= 4.349 dev= -0.003 sig.= 0.000
B    243 GLY CA  . - B    245 ASN N   . mod.= 5.354 id.= 5.356 dev=  0.003 sig.= 0.000
B    243 GLY C   . - B    245 ASN CA  . mod.= 5.014 id.= 5.010 dev= -0.004 sig.= 0.000
B    243 GLY O   . - B    244 ARG CA  . mod.= 2.798 id.= 2.805 dev=  0.007 sig.= 0.000
B    243 GLY O   . - B    244 ARG C   . mod.= 3.084 id.= 3.088 dev=  0.004 sig.= 0.000
B    243 GLY O   . - B    245 ASN N   . mod.= 3.557 id.= 3.562 dev=  0.005 sig.= 0.000
B    243 GLY O   . - B    245 ASN C   . mod.= 5.851 id.= 5.853 dev=  0.003 sig.= 0.000
B    244 ARG N   . - B    245 ASN N   . mod.= 3.507 id.= 3.509 dev=  0.002 sig.= 0.000
B    244 ARG N   . - B    245 ASN CA  . mod.= 4.750 id.= 4.748 dev= -0.002 sig.= 0.000
B    244 ARG N   . - B    245 ASN C   . mod.= 5.544 id.= 5.542 dev= -0.002 sig.= 0.000
B    244 ARG N   . - B    245 ASN O   . mod.= 5.360 id.= 5.357 dev= -0.003 sig.= 0.000
B    244 ARG CA  . - B    245 ASN O   . mod.= 4.172 id.= 4.170 dev= -0.002 sig.= 0.000
B    244 ARG CA  . - B    248 GLU CA  . mod.= 5.458 id.= 5.462 dev=  0.004 sig.= 0.000
B    244 ARG CA  . - B    248 GLU C   . mod.= 5.481 id.= 5.485 dev=  0.004 sig.= 0.000
B    244 ARG CA  . - B    249 ILE N   . mod.= 5.294 id.= 5.298 dev=  0.004 sig.= 0.000
B    244 ARG CA  . - B    249 ILE CA  . mod.= 5.868 id.= 5.871 dev=  0.003 sig.= 0.000
B    244 ARG C   . - B    246 ASN CA  . mod.= 5.490 id.= 5.487 dev= -0.003 sig.= 0.000
B    244 ARG C   . - B    249 ILE N   . mod.= 4.921 id.= 4.923 dev=  0.002 sig.= 0.000
B    244 ARG C   . - B    249 ILE CA  . mod.= 5.544 id.= 5.547 dev=  0.002 sig.= 0.000
B    244 ARG O   . - B    245 ASN CA  . mod.= 2.794 id.= 2.789 dev= -0.005 sig.= 0.000
B    244 ARG O   . - B    245 ASN C   . mod.= 3.269 id.= 3.265 dev= -0.005 sig.= 0.000
B    244 ARG O   . - B    245 ASN O   . mod.= 3.349 id.= 3.347 dev= -0.002 sig.= 0.000
B    244 ARG O   . - B    246 ASN N   . mod.= 4.315 id.= 4.310 dev= -0.004 sig.= 0.000
B    244 ARG O   . - B    246 ASN CA  . mod.= 5.314 id.= 5.306 dev= -0.008 sig.= 0.000
B    244 ARG O   . - B    249 ILE N   . mod.= 5.239 id.= 5.243 dev=  0.004 sig.= 0.000
B    244 ARG O   . - B    249 ILE CA  . mod.= 5.596 id.= 5.600 dev=  0.004 sig.= 0.000
B    245 ASN N   . - B    245 ASN O   . mod.= 2.692 id.= 2.695 dev=  0.003 sig.= 0.000
B    245 ASN N   . - B    246 ASN N   . mod.= 3.706 id.= 3.712 dev=  0.006 sig.= 0.000
B    245 ASN N   . - B    246 ASN CA  . mod.= 4.946 id.= 4.949 dev=  0.004 sig.= 0.000
B    245 ASN N   . - B    246 ASN C   . mod.= 5.487 id.= 5.492 dev=  0.005 sig.= 0.000
B    245 ASN N   . - B    247 ILE C   . mod.= 5.944 id.= 5.940 dev= -0.005 sig.= 0.000
B    245 ASN N   . - B    248 GLU N   . mod.= 4.741 id.= 4.738 dev= -0.002 sig.= 0.000
B    245 ASN N   . - B    248 GLU CA  . mod.= 4.771 id.= 4.767 dev= -0.004 sig.= 0.000
B    245 ASN N   . - B    249 ILE N   . mod.= 4.850 id.= 4.853 dev=  0.003 sig.= 0.000
B    245 ASN N   . - B    249 ILE CA  . mod.= 5.764 id.= 5.768 dev=  0.004 sig.= 0.000
B    245 ASN CA  . - B    246 ASN C   . mod.= 4.622 id.= 4.624 dev=  0.002 sig.= 0.000
B    245 ASN CA  . - B    247 ILE CA  . mod.= 5.623 id.= 5.618 dev= -0.005 sig.= 0.000
B    245 ASN CA  . - B    248 GLU N   . mod.= 4.672 id.= 4.675 dev=  0.003 sig.= 0.000
B    245 ASN CA  . - B    248 GLU C   . mod.= 5.610 id.= 5.613 dev=  0.003 sig.= 0.000
B    245 ASN CA  . - B    249 ILE N   . mod.= 5.068 id.= 5.070 dev=  0.003 sig.= 0.000
B    245 ASN C   . - B    246 ASN O   . mod.= 3.946 id.= 3.941 dev= -0.004 sig.= 0.000
B    245 ASN C   . - B    247 ILE CA  . mod.= 4.543 id.= 4.538 dev= -0.005 sig.= 0.000
B    245 ASN O   . - B    246 ASN C   . mod.= 3.074 id.= 3.078 dev=  0.004 sig.= 0.000
B    245 ASN O   . - B    246 ASN O   . mod.= 3.496 id.= 3.494 dev= -0.002 sig.= 0.000
B    245 ASN O   . - B    247 ILE CA  . mod.= 4.303 id.= 4.300 dev= -0.003 sig.= 0.000
B    245 ASN O   . - B    248 GLU CA  . mod.= 3.509 id.= 3.505 dev= -0.003 sig.= 0.000
B    245 ASN O   . - B    248 GLU C   . mod.= 3.562 id.= 3.560 dev= -0.003 sig.= 0.000
B    245 ASN O   . - B    249 ILE CA  . mod.= 3.664 id.= 3.662 dev= -0.002 sig.= 0.000
B    245 ASN O   . - B    249 ILE O   . mod.= 5.964 id.= 5.966 dev=  0.002 sig.= 0.000
B    246 ASN N   . - B    247 ILE CA  . mod.= 4.291 id.= 4.285 dev= -0.005 sig.= 0.000
B    246 ASN N   . - B    248 GLU C   . mod.= 5.549 id.= 5.551 dev=  0.002 sig.= 0.000
B    246 ASN N   . - B    249 ILE N   . mod.= 4.694 id.= 4.697 dev=  0.003 sig.= 0.000
B    246 ASN CA  . - B    249 ILE CA  . mod.= 5.043 id.= 5.040 dev= -0.003 sig.= 0.000
B    246 ASN CA  . - B    249 ILE C   . mod.= 5.638 id.= 5.636 dev= -0.003 sig.= 0.000
B    246 ASN CA  . - B    250 ARG N   . mod.= 5.089 id.= 5.087 dev= -0.002 sig.= 0.000
B    246 ASN C   . - B    247 ILE C   . mod.= 3.138 id.= 3.141 dev=  0.003 sig.= 0.000
B    246 ASN C   . - B    248 GLU N   . mod.= 3.370 id.= 3.373 dev=  0.003 sig.= 0.000
B    246 ASN C   . - B    248 GLU CA  . mod.= 4.546 id.= 4.549 dev=  0.002 sig.= 0.000
B    246 ASN C   . - B    248 GLU C   . mod.= 4.667 id.= 4.671 dev=  0.004 sig.= 0.000
B    246 ASN C   . - B    248 GLU O   . mod.= 5.746 id.= 5.748 dev=  0.002 sig.= 0.000
B    246 ASN C   . - B    249 ILE N   . mod.= 3.868 id.= 3.871 dev=  0.003 sig.= 0.000
B    246 ASN O   . - B    247 ILE CA  . mod.= 2.905 id.= 2.909 dev=  0.004 sig.= 0.000
B    246 ASN O   . - B    247 ILE C   . mod.= 3.149 id.= 3.153 dev=  0.004 sig.= 0.000
B    246 ASN O   . - B    248 GLU O   . mod.= 5.197 id.= 5.195 dev= -0.002 sig.= 0.000
B    246 ASN O   . - B    249 ILE N   . mod.= 3.394 id.= 3.392 dev= -0.002 sig.= 0.000
B    246 ASN O   . - B    249 ILE CA  . mod.= 3.832 id.= 3.827 dev= -0.005 sig.= 0.000
B    246 ASN O   . - B    249 ILE C   . mod.= 3.852 id.= 3.848 dev= -0.004 sig.= 0.000
B    246 ASN O   . - B    251 GLN N   . mod.= 4.949 id.= 4.947 dev= -0.002 sig.= 0.000
B    247 ILE N   . - B    248 GLU C   . mod.= 4.722 id.= 4.726 dev=  0.004 sig.= 0.000
B    247 ILE N   . - B    249 ILE N   . mod.= 4.265 id.= 4.267 dev=  0.002 sig.= 0.000
B    247 ILE N   . - B    249 ILE C   . mod.= 5.628 id.= 5.630 dev=  0.002 sig.= 0.000
B    247 ILE CA  . - B    248 GLU C   . mod.= 4.526 id.= 4.530 dev=  0.003 sig.= 0.000
B    247 ILE C   . - B    248 GLU C   . mod.= 3.162 id.= 3.164 dev=  0.002 sig.= 0.000
B    247 ILE C   . - B    249 ILE CA  . mod.= 4.611 id.= 4.608 dev= -0.002 sig.= 0.000
B    247 ILE C   . - B    249 ILE O   . mod.= 5.750 id.= 5.752 dev=  0.003 sig.= 0.000
B    247 ILE C   . - B    251 GLN CA  . mod.= 4.926 id.= 4.924 dev= -0.002 sig.= 0.000
B    247 ILE O   . - B    248 GLU C   . mod.= 3.182 id.= 3.186 dev=  0.004 sig.= 0.000
B    247 ILE O   . - B    249 ILE CA  . mod.= 4.571 id.= 4.568 dev= -0.003 sig.= 0.000
B    247 ILE O   . - B    250 ARG N   . mod.= 3.473 id.= 3.469 dev= -0.003 sig.= 0.000
B    247 ILE O   . - B    250 ARG CA  . mod.= 3.836 id.= 3.832 dev= -0.004 sig.= 0.000
B    247 ILE O   . - B    250 ARG C   . mod.= 3.867 id.= 3.863 dev= -0.004 sig.= 0.000
B    247 ILE O   . - B    251 GLN CA  . mod.= 3.739 id.= 3.736 dev= -0.003 sig.= 0.000
B    248 GLU N   . - B    249 ILE O   . mod.= 5.787 id.= 5.790 dev=  0.002 sig.= 0.000
B    248 GLU N   . - B    251 GLN CA  . mod.= 5.481 id.= 5.479 dev= -0.002 sig.= 0.000
B    248 GLU CA  . - B    249 ILE CA  . mod.= 3.822 id.= 3.819 dev= -0.003 sig.= 0.000
B    248 GLU CA  . - B    249 ILE C   . mod.= 4.460 id.= 4.463 dev=  0.003 sig.= 0.000
B    248 GLU CA  . - B    251 GLN N   . mod.= 4.553 id.= 4.556 dev=  0.002 sig.= 0.000
B    248 GLU CA  . - B    252 ALA N   . mod.= 5.116 id.= 5.118 dev=  0.002 sig.= 0.000
B    248 GLU C   . - B    250 ARG C   . mod.= 4.648 id.= 4.651 dev=  0.003 sig.= 0.000
B    248 GLU C   . - B    250 ARG O   . mod.= 5.634 id.= 5.637 dev=  0.003 sig.= 0.000
B    248 GLU C   . - B    251 GLN N   . mod.= 3.887 id.= 3.891 dev=  0.004 sig.= 0.000
B    248 GLU C   . - B    251 GLN CA  . mod.= 4.514 id.= 4.517 dev=  0.003 sig.= 0.000
B    248 GLU C   . - B    251 GLN C   . mod.= 4.825 id.= 4.827 dev=  0.002 sig.= 0.000
B    248 GLU C   . - B    252 ALA N   . mod.= 4.090 id.= 4.092 dev=  0.002 sig.= 0.000
B    248 GLU O   . - B    249 ILE CA  . mod.= 2.838 id.= 2.836 dev= -0.002 sig.= 0.000
B    248 GLU O   . - B    249 ILE C   . mod.= 3.141 id.= 3.144 dev=  0.002 sig.= 0.000
B    248 GLU O   . - B    250 ARG N   . mod.= 3.617 id.= 3.615 dev= -0.002 sig.= 0.000
B    249 ILE N   . - B    249 ILE O   . mod.= 3.471 id.= 3.474 dev=  0.003 sig.= 0.000
B    249 ILE N   . - B    250 ARG C   . mod.= 4.678 id.= 4.681 dev=  0.003 sig.= 0.000
B    249 ILE N   . - B    250 ARG O   . mod.= 5.676 id.= 5.678 dev=  0.002 sig.= 0.000
B    249 ILE CA  . - B    250 ARG C   . mod.= 4.441 id.= 4.445 dev=  0.004 sig.= 0.000
B    249 ILE CA  . - B    250 ARG O   . mod.= 5.227 id.= 5.230 dev=  0.003 sig.= 0.000
B    249 ILE CA  . - B    252 ALA C   . mod.= 5.808 id.= 5.811 dev=  0.003 sig.= 0.000
B    249 ILE CA  . - B    253 ILE N   . mod.= 5.317 id.= 5.321 dev=  0.004 sig.= 0.000
B    249 ILE C   . - B    251 GLN C   . mod.= 4.617 id.= 4.619 dev=  0.002 sig.= 0.000
B    249 ILE C   . - B    253 ILE CA  . mod.= 5.169 id.= 5.172 dev=  0.003 sig.= 0.000
B    249 ILE O   . - B    250 ARG CA  . mod.= 2.847 id.= 2.850 dev=  0.003 sig.= 0.000
B    249 ILE O   . - B    250 ARG C   . mod.= 3.057 id.= 3.063 dev=  0.006 sig.= 0.000
B    249 ILE O   . - B    250 ARG O   . mod.= 3.358 id.= 3.361 dev=  0.003 sig.= 0.000
B    249 ILE O   . - B    252 ALA CA  . mod.= 3.844 id.= 3.841 dev= -0.004 sig.= 0.000
B    249 ILE O   . - B    252 ALA C   . mod.= 3.951 id.= 3.948 dev= -0.003 sig.= 0.000
B    249 ILE O   . - B    252 ALA O   . mod.= 5.130 id.= 5.128 dev= -0.002 sig.= 0.000
B    249 ILE O   . - B    253 ILE CA  . mod.= 3.984 id.= 3.987 dev=  0.002 sig.= 0.000
B    249 ILE O   . - B    253 ILE C   . mod.= 5.157 id.= 5.160 dev=  0.003 sig.= 0.000
B    249 ILE O   . - B    254 GLU N   . mod.= 5.115 id.= 5.120 dev=  0.004 sig.= 0.000
B    250 ARG N   . - B    251 GLN N   . mod.= 2.805 id.= 2.803 dev= -0.003 sig.= 0.000
B    250 ARG N   . - B    252 ALA CA  . mod.= 5.391 id.= 5.387 dev= -0.004 sig.= 0.000
B    250 ARG CA  . - B    252 ALA CA  . mod.= 5.585 id.= 5.580 dev= -0.005 sig.= 0.000
B    250 ARG CA  . - B    252 ALA C   . mod.= 5.720 id.= 5.718 dev= -0.003 sig.= 0.000
B    250 ARG CA  . - B    253 ILE N   . mod.= 4.778 id.= 4.775 dev= -0.003 sig.= 0.000
B    250 ARG CA  . - B    254 GLU N   . mod.= 5.322 id.= 5.325 dev=  0.002 sig.= 0.000
B    250 ARG C   . - B    251 GLN C   . mod.= 3.132 id.= 3.134 dev=  0.002 sig.= 0.000
B    250 ARG C   . - B    252 ALA CA  . mod.= 4.618 id.= 4.615 dev= -0.003 sig.= 0.000
B    250 ARG C   . - B    254 GLU CA  . mod.= 5.062 id.= 5.065 dev=  0.003 sig.= 0.000
B    250 ARG O   . - B    251 GLN C   . mod.= 3.097 id.= 3.101 dev=  0.004 sig.= 0.000
B    250 ARG O   . - B    252 ALA CA  . mod.= 4.448 id.= 4.444 dev= -0.004 sig.= 0.000
B    250 ARG O   . - B    252 ALA C   . mod.= 4.238 id.= 4.235 dev= -0.003 sig.= 0.000
B    250 ARG O   . - B    252 ALA O   . mod.= 5.197 id.= 5.194 dev= -0.003 sig.= 0.000
B    250 ARG O   . - B    253 ILE N   . mod.= 3.342 id.= 3.339 dev= -0.003 sig.= 0.000
B    250 ARG O   . - B    253 ILE CA  . mod.= 3.835 id.= 3.833 dev= -0.003 sig.= 0.000
B    250 ARG O   . - B    254 GLU CA  . mod.= 3.880 id.= 3.883 dev=  0.003 sig.= 0.000
B    250 ARG O   . - B    254 GLU C   . mod.= 4.953 id.= 4.957 dev=  0.004 sig.= 0.000
B    250 ARG O   . - B    255 GLN N   . mod.= 4.852 id.= 4.854 dev=  0.003 sig.= 0.000
B    251 GLN N   . - B    252 ALA CA  . mod.= 4.325 id.= 4.321 dev= -0.004 sig.= 0.000
B    251 GLN N   . - B    253 ILE N   . mod.= 4.446 id.= 4.443 dev= -0.003 sig.= 0.000
B    251 GLN CA  . - B    252 ALA CA  . mod.= 3.871 id.= 3.867 dev= -0.004 sig.= 0.000
B    251 GLN CA  . - B    254 GLU C   . mod.= 5.682 id.= 5.686 dev=  0.004 sig.= 0.000
B    251 GLN C   . - B    252 ALA O   . mod.= 4.024 id.= 4.021 dev= -0.003 sig.= 0.000
B    251 GLN C   . - B    253 ILE C   . mod.= 4.752 id.= 4.754 dev=  0.002 sig.= 0.000
B    251 GLN C   . - B    253 ILE O   . mod.= 5.774 id.= 5.776 dev=  0.002 sig.= 0.000
B    251 GLN C   . - B    254 GLU CA  . mod.= 4.786 id.= 4.790 dev=  0.004 sig.= 0.000
B    251 GLN C   . - B    254 GLU C   . mod.= 4.970 id.= 4.975 dev=  0.005 sig.= 0.000
B    251 GLN C   . - B    255 GLN C   . mod.= 5.738 id.= 5.741 dev=  0.002 sig.= 0.000
B    251 GLN O   . - B    252 ALA CA  . mod.= 2.833 id.= 2.827 dev= -0.005 sig.= 0.000
B    251 GLN O   . - B    252 ALA C   . mod.= 3.116 id.= 3.114 dev= -0.002 sig.= 0.000
B    251 GLN O   . - B    252 ALA O   . mod.= 3.640 id.= 3.637 dev= -0.004 sig.= 0.000
B    251 GLN O   . - B    254 GLU N   . mod.= 3.481 id.= 3.478 dev= -0.002 sig.= 0.000
B    251 GLN O   . - B    254 GLU C   . mod.= 3.912 id.= 3.917 dev=  0.004 sig.= 0.000
B    251 GLN O   . - B    254 GLU O   . mod.= 5.076 id.= 5.082 dev=  0.006 sig.= 0.000
B    251 GLN O   . - B    255 GLN C   . mod.= 4.564 id.= 4.567 dev=  0.003 sig.= 0.000
B    251 GLN O   . - B    255 GLN O   . mod.= 5.632 id.= 5.636 dev=  0.004 sig.= 0.000
B    251 GLN O   . - B    256 THR CA  . mod.= 5.859 id.= 5.863 dev=  0.003 sig.= 0.000
B    252 ALA N   . - B    254 GLU C   . mod.= 5.768 id.= 5.771 dev=  0.003 sig.= 0.000
B    252 ALA N   . - B    255 GLN CA  . mod.= 5.670 id.= 5.667 dev= -0.003 sig.= 0.000
B    252 ALA CA  . - B    253 ILE CA  . mod.= 3.825 id.= 3.827 dev=  0.002 sig.= 0.000
B    252 ALA CA  . - B    255 GLN N   . mod.= 4.941 id.= 4.939 dev= -0.002 sig.= 0.000
B    252 ALA CA  . - B    255 GLN CA  . mod.= 5.539 id.= 5.533 dev= -0.006 sig.= 0.000
B    252 ALA CA  . - B    277 ALA CA  . mod.= 4.831 id.= 4.822 dev= -0.009 sig.= 0.000
B    252 ALA CA  . - B    277 ALA C   . mod.= 5.223 id.= 5.215 dev= -0.007 sig.= 0.000
B    252 ALA CA  . - B    277 ALA O   . mod.= 4.682 id.= 4.674 dev= -0.008 sig.= 0.000
B    252 ALA CA  . - B    280 TYR CA  . mod.= 6.002 id.= 5.984 dev= -0.018 sig.= 0.000
B    252 ALA C   . - B    255 GLN CA  . mod.= 5.140 id.= 5.136 dev= -0.004 sig.= 0.000
B    252 ALA C   . - B    256 THR C   . mod.= 5.882 id.= 5.884 dev=  0.002 sig.= 0.000
B    252 ALA C   . - B    277 ALA N   . mod.= 5.459 id.= 5.454 dev= -0.005 sig.= 0.000
B    252 ALA C   . - B    277 ALA CA  . mod.= 4.336 id.= 4.329 dev= -0.007 sig.= 0.000
B    252 ALA C   . - B    277 ALA C   . mod.= 5.106 id.= 5.102 dev= -0.004 sig.= 0.000
B    252 ALA C   . - B    277 ALA O   . mod.= 4.927 id.= 4.921 dev= -0.006 sig.= 0.000
B    252 ALA O   . - B    254 GLU N   . mod.= 3.696 id.= 3.694 dev= -0.002 sig.= 0.000
B    252 ALA O   . - B    254 GLU CA  . mod.= 4.762 id.= 4.760 dev= -0.002 sig.= 0.000
B    252 ALA O   . - B    255 GLN N   . mod.= 4.150 id.= 4.147 dev= -0.003 sig.= 0.000
B    252 ALA O   . - B    255 GLN CA  . mod.= 4.717 id.= 4.711 dev= -0.006 sig.= 0.000
B    252 ALA O   . - B    256 THR N   . mod.= 3.523 id.= 3.520 dev= -0.002 sig.= 0.000
B    252 ALA O   . - B    273 ASN O   . mod.= 5.537 id.= 5.532 dev= -0.005 sig.= 0.000
B    252 ALA O   . - B    276 ASN C   . mod.= 5.214 id.= 5.209 dev= -0.005 sig.= 0.000
B    252 ALA O   . - B    276 ASN O   . mod.= 5.216 id.= 5.213 dev= -0.004 sig.= 0.000
B    252 ALA O   . - B    277 ALA N   . mod.= 4.590 id.= 4.586 dev= -0.003 sig.= 0.000
B    252 ALA O   . - B    277 ALA CA  . mod.= 3.692 id.= 3.688 dev= -0.004 sig.= 0.000
B    252 ALA O   . - B    278 VAL N   . mod.= 5.960 id.= 5.956 dev= -0.005 sig.= 0.000
B    253 ILE N   . - B    254 GLU C   . mod.= 4.843 id.= 4.846 dev=  0.003 sig.= 0.000
B    253 ILE N   . - B    254 GLU O   . mod.= 5.846 id.= 5.848 dev=  0.002 sig.= 0.000
B    253 ILE N   . - B    277 ALA CA  . mod.= 5.195 id.= 5.192 dev= -0.003 sig.= 0.000
B    253 ILE N   . - B    277 ALA C   . mod.= 5.961 id.= 5.959 dev= -0.002 sig.= 0.000
B    253 ILE N   . - B    277 ALA O   . mod.= 5.871 id.= 5.866 dev= -0.006 sig.= 0.000
B    253 ILE CA  . - B    254 GLU O   . mod.= 5.426 id.= 5.424 dev= -0.002 sig.= 0.000
B    253 ILE CA  . - B    256 THR N   . mod.= 5.173 id.= 5.170 dev= -0.003 sig.= 0.000
B    253 ILE CA  . - B    257 ALA N   . mod.= 5.640 id.= 5.638 dev= -0.002 sig.= 0.000
B    253 ILE CA  . - B    277 ALA CA  . mod.= 5.490 id.= 5.492 dev=  0.003 sig.= 0.000
B    253 ILE C   . - B    256 THR C   . mod.= 5.145 id.= 5.148 dev=  0.003 sig.= 0.000
B    253 ILE C   . - B    256 THR O   . mod.= 5.976 id.= 5.979 dev=  0.003 sig.= 0.000
B    253 ILE C   . - B    257 ALA CA  . mod.= 5.187 id.= 5.184 dev= -0.003 sig.= 0.000
B    253 ILE O   . - B    255 GLN N   . mod.= 3.888 id.= 3.890 dev=  0.002 sig.= 0.000
B    253 ILE O   . - B    255 GLN CA  . mod.= 4.951 id.= 4.953 dev=  0.003 sig.= 0.000
B    253 ILE O   . - B    256 THR N   . mod.= 3.962 id.= 3.960 dev= -0.002 sig.= 0.000
B    253 ILE O   . - B    256 THR CA  . mod.= 4.534 id.= 4.531 dev= -0.002 sig.= 0.000
B    253 ILE O   . - B    256 THR C   . mod.= 4.236 id.= 4.238 dev=  0.002 sig.= 0.000
B    253 ILE O   . - B    256 THR O   . mod.= 5.005 id.= 5.008 dev=  0.003 sig.= 0.000
B    253 ILE O   . - B    257 ALA CA  . mod.= 4.006 id.= 4.003 dev= -0.004 sig.= 0.000
B    253 ILE O   . - B    272 ILE CA  . mod.= 5.118 id.= 5.121 dev=  0.003 sig.= 0.000
B    253 ILE O   . - B    272 ILE C   . mod.= 5.947 id.= 5.952 dev=  0.005 sig.= 0.000
B    253 ILE O   . - B    273 ASN O   . mod.= 5.834 id.= 5.838 dev=  0.004 sig.= 0.000
B    254 GLU N   . - B    256 THR N   . mod.= 4.446 id.= 4.443 dev= -0.003 sig.= 0.000
B    254 GLU N   . - B    256 THR C   . mod.= 5.755 id.= 5.757 dev=  0.002 sig.= 0.000
B    254 GLU CA  . - B    255 GLN CA  . mod.= 3.828 id.= 3.832 dev=  0.004 sig.= 0.000
B    254 GLU CA  . - B    255 GLN O   . mod.= 5.643 id.= 5.640 dev= -0.003 sig.= 0.000
B    254 GLU C   . - B    255 GLN C   . mod.= 3.198 id.= 3.200 dev=  0.002 sig.= 0.000
B    254 GLU C   . - B    257 ALA CA  . mod.= 4.918 id.= 4.922 dev=  0.003 sig.= 0.000
B    254 GLU C   . - B    257 ALA C   . mod.= 5.939 id.= 5.942 dev=  0.003 sig.= 0.000
B    254 GLU C   . - B    257 ALA O   . mod.= 5.818 id.= 5.821 dev=  0.003 sig.= 0.000
B    254 GLU C   . - B    269 TYR CA  . mod.= 5.428 id.= 5.432 dev=  0.003 sig.= 0.000
B    254 GLU C   . - B    269 TYR C   . mod.= 5.787 id.= 5.791 dev=  0.004 sig.= 0.000
B    254 GLU C   . - B    269 TYR O   . mod.= 5.692 id.= 5.695 dev=  0.003 sig.= 0.000
B    254 GLU O   . - B    255 GLN CA  . mod.= 2.837 id.= 2.848 dev=  0.011 sig.= 0.000
B    254 GLU O   . - B    255 GLN C   . mod.= 3.197 id.= 3.200 dev=  0.003 sig.= 0.000
B    254 GLU O   . - B    255 GLN O   . mod.= 3.925 id.= 3.923 dev= -0.003 sig.= 0.000
B    254 GLU O   . - B    269 TYR CA  . mod.= 4.499 id.= 4.501 dev=  0.002 sig.= 0.000
B    254 GLU O   . - B    269 TYR C   . mod.= 4.704 id.= 4.708 dev=  0.003 sig.= 0.000
B    254 GLU O   . - B    269 TYR O   . mod.= 4.500 id.= 4.502 dev=  0.002 sig.= 0.000
B    254 GLU O   . - B    270 GLY N   . mod.= 5.551 id.= 5.554 dev=  0.003 sig.= 0.000
B    255 GLN N   . - B    257 ALA N   . mod.= 4.487 id.= 4.490 dev=  0.003 sig.= 0.000
B    255 GLN N   . - B    257 ALA CA  . mod.= 5.617 id.= 5.622 dev=  0.005 sig.= 0.000
B    255 GLN CA  . - B    257 ALA N   . mod.= 4.514 id.= 4.519 dev=  0.005 sig.= 0.000
B    255 GLN CA  . - B    257 ALA CA  . mod.= 5.780 id.= 5.788 dev=  0.008 sig.= 0.000
B    255 GLN C   . - B    257 ALA N   . mod.= 3.529 id.= 3.532 dev=  0.003 sig.= 0.000
B    255 GLN C   . - B    257 ALA CA  . mod.= 4.904 id.= 4.907 dev=  0.003 sig.= 0.000
B    255 GLN C   . - B    257 ALA C   . mod.= 5.449 id.= 5.453 dev=  0.004 sig.= 0.000
B    255 GLN C   . - B    257 ALA O   . mod.= 4.975 id.= 4.979 dev=  0.003 sig.= 0.000
B    255 GLN O   . - B    256 THR CA  . mod.= 2.759 id.= 2.761 dev=  0.002 sig.= 0.000
B    255 GLN O   . - B    256 THR C   . mod.= 3.724 id.= 3.721 dev= -0.003 sig.= 0.000
B    255 GLN O   . - B    256 THR O   . mod.= 4.711 id.= 4.709 dev= -0.002 sig.= 0.000
B    255 GLN O   . - B    257 ALA C   . mod.= 5.416 id.= 5.419 dev=  0.002 sig.= 0.000
B    256 THR N   . - B    277 ALA CA  . mod.= 5.979 id.= 5.974 dev= -0.005 sig.= 0.000
B    256 THR CA  . - B    257 ALA CA  . mod.= 3.801 id.= 3.796 dev= -0.005 sig.= 0.000
B    256 THR CA  . - B    257 ALA O   . mod.= 4.286 id.= 4.284 dev= -0.002 sig.= 0.000
B    256 THR CA  . - B    273 ASN O   . mod.= 5.524 id.= 5.517 dev= -0.008 sig.= 0.000
B    256 THR CA  . - B    276 ASN C   . mod.= 5.252 id.= 5.248 dev= -0.004 sig.= 0.000
B    256 THR C   . - B    257 ALA O   . mod.= 3.249 id.= 3.247 dev= -0.002 sig.= 0.000
B    256 THR C   . - B    272 ILE CA  . mod.= 5.933 id.= 5.937 dev=  0.004 sig.= 0.000
B    256 THR C   . - B    272 ILE C   . mod.= 5.892 id.= 5.895 dev=  0.002 sig.= 0.000
B    256 THR C   . - B    276 ASN CA  . mod.= 5.926 id.= 5.930 dev=  0.005 sig.= 0.000
B    256 THR C   . - B    276 ASN C   . mod.= 5.714 id.= 5.716 dev=  0.002 sig.= 0.000
B    256 THR C   . - B    277 ALA N   . mod.= 5.623 id.= 5.628 dev=  0.005 sig.= 0.000
B    256 THR O   . - B    257 ALA CA  . mod.= 2.792 id.= 2.795 dev=  0.002 sig.= 0.000
B    256 THR O   . - B    257 ALA C   . mod.= 3.122 id.= 3.125 dev=  0.003 sig.= 0.000
B    256 THR O   . - B    258 ASP N   . mod.= 3.580 id.= 3.584 dev=  0.004 sig.= 0.000
B    256 THR O   . - B    272 ILE CA  . mod.= 5.669 id.= 5.673 dev=  0.004 sig.= 0.000
B    256 THR O   . - B    273 ASN CA  . mod.= 4.473 id.= 4.470 dev= -0.003 sig.= 0.000
B    256 THR O   . - B    276 ASN CA  . mod.= 5.224 id.= 5.228 dev=  0.004 sig.= 0.000
B    256 THR O   . - B    276 ASN O   . mod.= 5.898 id.= 5.900 dev=  0.002 sig.= 0.000
B    256 THR O   . - B    277 ALA N   . mod.= 5.249 id.= 5.251 dev=  0.003 sig.= 0.000
B    256 THR O   . - B    277 ALA CA  . mod.= 5.921 id.= 5.924 dev=  0.004 sig.= 0.000
B    257 ALA N   . - B    258 ASP N   . mod.= 3.522 id.= 3.524 dev=  0.002 sig.= 0.000
B    257 ALA N   . - B    269 TYR C   . mod.= 5.731 id.= 5.727 dev= -0.004 sig.= 0.000
B    257 ALA N   . - B    269 TYR O   . mod.= 5.137 id.= 5.132 dev= -0.004 sig.= 0.000
B    257 ALA CA  . - B    258 ASP CA  . mod.= 3.798 id.= 3.801 dev=  0.003 sig.= 0.000
B    257 ALA CA  . - B    258 ASP C   . mod.= 4.363 id.= 4.366 dev=  0.003 sig.= 0.000
B    257 ALA CA  . - B    258 ASP O   . mod.= 4.520 id.= 4.524 dev=  0.004 sig.= 0.000
B    257 ALA CA  . - B    259 LYS N   . mod.= 5.120 id.= 5.123 dev=  0.002 sig.= 0.000
B    257 ALA CA  . - B    269 TYR CA  . mod.= 6.007 id.= 6.000 dev= -0.007 sig.= 0.000
B    257 ALA CA  . - B    270 GLY CA  . mod.= 4.900 id.= 4.903 dev=  0.003 sig.= 0.000
B    257 ALA CA  . - B    270 GLY C   . mod.= 4.834 id.= 4.839 dev=  0.005 sig.= 0.000
B    257 ALA CA  . - B    270 GLY O   . mod.= 5.447 id.= 5.455 dev=  0.008 sig.= 0.000
B    257 ALA CA  . - B    271 ARG CA  . mod.= 5.137 id.= 5.144 dev=  0.006 sig.= 0.000
B    257 ALA CA  . - B    272 ILE O   . mod.= 5.719 id.= 5.716 dev= -0.003 sig.= 0.000
B    257 ALA CA  . - B    273 ASN N   . mod.= 4.463 id.= 4.460 dev= -0.003 sig.= 0.000
B    257 ALA CA  . - B    273 ASN CA  . mod.= 5.328 id.= 5.326 dev= -0.002 sig.= 0.000
B    257 ALA CA  . - B    273 ASN O   . mod.= 5.764 id.= 5.762 dev= -0.002 sig.= 0.000
B    257 ALA C   . - B    269 TYR C   . mod.= 5.028 id.= 5.024 dev= -0.004 sig.= 0.000
B    257 ALA C   . - B    269 TYR O   . mod.= 4.229 id.= 4.225 dev= -0.004 sig.= 0.000
B    257 ALA C   . - B    270 GLY N   . mod.= 5.254 id.= 5.250 dev= -0.004 sig.= 0.000
B    257 ALA C   . - B    270 GLY O   . mod.= 5.771 id.= 5.775 dev=  0.003 sig.= 0.000
B    257 ALA C   . - B    271 ARG CA  . mod.= 5.231 id.= 5.234 dev=  0.003 sig.= 0.000
B    257 ALA O   . - B    258 ASP CA  . mod.= 2.809 id.= 2.811 dev=  0.002 sig.= 0.000
B    257 ALA O   . - B    258 ASP C   . mod.= 3.160 id.= 3.163 dev=  0.003 sig.= 0.000
B    257 ALA O   . - B    258 ASP O   . mod.= 3.853 id.= 3.856 dev=  0.003 sig.= 0.000
B    257 ALA O   . - B    269 TYR CA  . mod.= 5.997 id.= 5.990 dev= -0.007 sig.= 0.000
B    257 ALA O   . - B    270 GLY CA  . mod.= 5.025 id.= 5.028 dev=  0.003 sig.= 0.000
B    257 ALA O   . - B    270 GLY C   . mod.= 5.555 id.= 5.560 dev=  0.005 sig.= 0.000
B    257 ALA O   . - B    271 ARG N   . mod.= 5.342 id.= 5.345 dev=  0.003 sig.= 0.000
B    257 ALA O   . - B    271 ARG C   . mod.= 5.660 id.= 5.663 dev=  0.003 sig.= 0.000
B    258 ASP N   . - B    259 LYS N   . mod.= 3.389 id.= 3.387 dev= -0.003 sig.= 0.000
B    258 ASP N   . - B    260 ILE N   . mod.= 5.518 id.= 5.521 dev=  0.003 sig.= 0.000
B    258 ASP N   . - B    269 TYR O   . mod.= 5.002 id.= 4.999 dev= -0.002 sig.= 0.000
B    258 ASP N   . - B    270 GLY O   . mod.= 5.780 id.= 5.783 dev=  0.003 sig.= 0.000
B    258 ASP N   . - B    271 ARG CA  . mod.= 4.638 id.= 4.641 dev=  0.003 sig.= 0.000
B    258 ASP N   . - B    272 ILE N   . mod.= 4.926 id.= 4.929 dev=  0.002 sig.= 0.000
B    258 ASP N   . - B    272 ILE O   . mod.= 5.425 id.= 5.419 dev= -0.006 sig.= 0.000
B    258 ASP N   . - B    273 ASN N   . mod.= 4.851 id.= 4.853 dev=  0.002 sig.= 0.000
B    258 ASP CA  . - B    259 LYS CA  . mod.= 3.801 id.= 3.805 dev=  0.004 sig.= 0.000
B    258 ASP CA  . - B    259 LYS O   . mod.= 5.470 id.= 5.467 dev= -0.003 sig.= 0.000
B    258 ASP CA  . - B    260 ILE N   . mod.= 4.560 id.= 4.566 dev=  0.006 sig.= 0.000
B    258 ASP CA  . - B    260 ILE CA  . mod.= 5.674 id.= 5.680 dev=  0.006 sig.= 0.000
B    258 ASP CA  . - B    271 ARG N   . mod.= 4.573 id.= 4.571 dev= -0.002 sig.= 0.000
B    258 ASP C   . - B    259 LYS O   . mod.= 4.255 id.= 4.252 dev= -0.003 sig.= 0.000
B    258 ASP C   . - B    260 ILE N   . mod.= 3.210 id.= 3.215 dev=  0.005 sig.= 0.000
B    258 ASP C   . - B    260 ILE CA  . mod.= 4.470 id.= 4.474 dev=  0.004 sig.= 0.000
B    258 ASP C   . - B    260 ILE C   . mod.= 5.649 id.= 5.651 dev=  0.002 sig.= 0.000
B    258 ASP C   . - B    260 ILE O   . mod.= 5.683 id.= 5.686 dev=  0.003 sig.= 0.000
B    258 ASP O   . - B    259 LYS O   . mod.= 4.499 id.= 4.495 dev= -0.004 sig.= 0.000
B    258 ASP O   . - B    260 ILE N   . mod.= 2.890 id.= 2.893 dev=  0.003 sig.= 0.000
B    258 ASP O   . - B    269 TYR O   . mod.= 4.340 id.= 4.337 dev= -0.003 sig.= 0.000
B    258 ASP O   . - B    270 GLY C   . mod.= 3.589 id.= 3.586 dev= -0.002 sig.= 0.000
B    258 ASP O   . - B    270 GLY O   . mod.= 4.808 id.= 4.805 dev= -0.003 sig.= 0.000
B    258 ASP O   . - B    271 ARG C   . mod.= 4.247 id.= 4.250 dev=  0.004 sig.= 0.000
B    258 ASP O   . - B    272 ILE N   . mod.= 5.560 id.= 5.563 dev=  0.003 sig.= 0.000
B    259 LYS N   . - B    259 LYS O   . mod.= 3.370 id.= 3.366 dev= -0.004 sig.= 0.000
B    259 LYS N   . - B    260 ILE N   . mod.= 3.052 id.= 3.056 dev=  0.004 sig.= 0.000
B    259 LYS N   . - B    260 ILE CA  . mod.= 4.410 id.= 4.416 dev=  0.006 sig.= 0.000
B    259 LYS CA  . - B    260 ILE CA  . mod.= 3.820 id.= 3.825 dev=  0.005 sig.= 0.000
B    259 LYS CA  . - B    260 ILE C   . mod.= 4.512 id.= 4.509 dev= -0.003 sig.= 0.000
B    259 LYS CA  . - B    260 ILE O   . mod.= 4.222 id.= 4.219 dev= -0.003 sig.= 0.000
B    259 LYS C   . - B    260 ILE O   . mod.= 3.156 id.= 3.159 dev=  0.003 sig.= 0.000
B    259 LYS C   . - B    261 SER CA  . mod.= 5.506 id.= 5.504 dev= -0.003 sig.= 0.000
B    259 LYS C   . - B    263 THR CA  . mod.= 5.493 id.= 5.498 dev=  0.005 sig.= 0.000
B    259 LYS O   . - B    260 ILE CA  . mod.= 2.829 id.= 2.840 dev=  0.010 sig.= 0.000
B    259 LYS O   . - B    260 ILE O   . mod.= 3.297 id.= 3.299 dev=  0.002 sig.= 0.000
B    259 LYS O   . - B    261 SER N   . mod.= 4.179 id.= 4.182 dev=  0.002 sig.= 0.000
B    259 LYS O   . - B    261 SER CA  . mod.= 5.228 id.= 5.219 dev= -0.009 sig.= 0.000
B    259 LYS O   . - B    263 THR CA  . mod.= 5.757 id.= 5.759 dev=  0.003 sig.= 0.000
B    260 ILE N   . - B    261 SER N   . mod.= 3.656 id.= 3.652 dev= -0.003 sig.= 0.000
B    260 ILE N   . - B    261 SER CA  . mod.= 4.936 id.= 4.939 dev=  0.003 sig.= 0.000
B    260 ILE N   . - B    261 SER C   . mod.= 5.386 id.= 5.394 dev=  0.008 sig.= 0.000
B    260 ILE N   . - B    261 SER O   . mod.= 5.435 id.= 5.442 dev=  0.007 sig.= 0.000
B    260 ILE N   . - B    263 THR CA  . mod.= 5.464 id.= 5.467 dev=  0.003 sig.= 0.000
B    260 ILE N   . - B    271 ARG N   . mod.= 4.988 id.= 4.990 dev=  0.002 sig.= 0.000
B    260 ILE CA  . - B    261 SER CA  . mod.= 3.829 id.= 3.838 dev=  0.009 sig.= 0.000
B    260 ILE CA  . - B    261 SER C   . mod.= 4.469 id.= 4.474 dev=  0.005 sig.= 0.000
B    260 ILE CA  . - B    262 GLY N   . mod.= 5.237 id.= 5.234 dev= -0.003 sig.= 0.000
B    260 ILE CA  . - B    263 THR N   . mod.= 5.361 id.= 5.357 dev= -0.004 sig.= 0.000
B    260 ILE CA  . - B    270 GLY CA  . mod.= 5.882 id.= 5.875 dev= -0.007 sig.= 0.000
B    260 ILE CA  . - B    271 ARG N   . mod.= 5.773 id.= 5.768 dev= -0.005 sig.= 0.000
B    260 ILE C   . - B    261 SER C   . mod.= 3.039 id.= 3.047 dev=  0.008 sig.= 0.000
B    260 ILE C   . - B    261 SER O   . mod.= 3.294 id.= 3.299 dev=  0.006 sig.= 0.000
B    260 ILE C   . - B    262 GLY C   . mod.= 4.977 id.= 4.974 dev= -0.004 sig.= 0.000
B    260 ILE C   . - B    263 THR N   . mod.= 4.143 id.= 4.140 dev= -0.004 sig.= 0.000
B    260 ILE C   . - B    263 THR CA  . mod.= 4.919 id.= 4.917 dev= -0.002 sig.= 0.000
B    260 ILE O   . - B    261 SER C   . mod.= 3.021 id.= 3.029 dev=  0.008 sig.= 0.000
B    260 ILE O   . - B    261 SER O   . mod.= 3.389 id.= 3.394 dev=  0.005 sig.= 0.000
B    260 ILE O   . - B    263 THR C   . mod.= 4.923 id.= 4.926 dev=  0.003 sig.= 0.000
B    260 ILE O   . - B    263 THR O   . mod.= 5.060 id.= 5.062 dev=  0.002 sig.= 0.000
B    260 ILE O   . - B    270 GLY CA  . mod.= 5.667 id.= 5.665 dev= -0.002 sig.= 0.000
B    261 SER N   . - B    263 THR CA  . mod.= 5.747 id.= 5.749 dev=  0.003 sig.= 0.000
B    261 SER CA  . - B    262 GLY C   . mod.= 4.675 id.= 4.673 dev= -0.002 sig.= 0.000
B    261 SER CA  . - B    263 THR N   . mod.= 4.426 id.= 4.423 dev= -0.003 sig.= 0.000
B    261 SER CA  . - B    263 THR CA  . mod.= 5.685 id.= 5.680 dev= -0.006 sig.= 0.000
B    261 SER C   . - B    263 THR N   . mod.= 3.564 id.= 3.568 dev=  0.005 sig.= 0.000
B    261 SER C   . - B    263 THR CA  . mod.= 4.973 id.= 4.978 dev=  0.005 sig.= 0.000
B    261 SER C   . - B    263 THR C   . mod.= 5.944 id.= 5.947 dev=  0.003 sig.= 0.000
B    261 SER O   . - B    262 GLY CA  . mod.= 2.811 id.= 2.805 dev= -0.005 sig.= 0.000
B    261 SER O   . - B    262 GLY O   . mod.= 4.843 id.= 4.841 dev= -0.002 sig.= 0.000
B    261 SER O   . - B    263 THR N   . mod.= 3.965 id.= 3.969 dev=  0.003 sig.= 0.000
B    261 SER O   . - B    263 THR CA  . mod.= 5.318 id.= 5.323 dev=  0.005 sig.= 0.000
B    262 GLY N   . - B    266 TYR N   . mod.= 5.972 id.= 5.970 dev= -0.002 sig.= 0.000
B    262 GLY CA  . - B    263 THR CA  . mod.= 3.870 id.= 3.872 dev=  0.002 sig.= 0.000
B    262 GLY CA  . - B    265 THR CA  . mod.= 5.559 id.= 5.565 dev=  0.006 sig.= 0.000
B    262 GLY CA  . - B    265 THR C   . mod.= 5.578 id.= 5.575 dev= -0.003 sig.= 0.000
B    262 GLY C   . - B    263 THR O   . mod.= 3.459 id.= 3.455 dev= -0.003 sig.= 0.000
B    262 GLY C   . - B    265 THR CA  . mod.= 4.726 id.= 4.731 dev=  0.004 sig.= 0.000
B    262 GLY O   . - B    263 THR O   . mod.= 3.615 id.= 3.612 dev= -0.003 sig.= 0.000
B    262 GLY O   . - B    265 THR CA  . mod.= 3.626 id.= 3.630 dev=  0.004 sig.= 0.000
B    263 THR N   . - B    263 THR O   . mod.= 2.926 id.= 2.924 dev= -0.002 sig.= 0.000
B    263 THR N   . - B    264 GLY CA  . mod.= 4.735 id.= 4.738 dev=  0.003 sig.= 0.000
B    263 THR N   . - B    265 THR CA  . mod.= 5.568 id.= 5.573 dev=  0.006 sig.= 0.000
B    263 THR N   . - B    267 PHE N   . mod.= 5.145 id.= 5.143 dev= -0.002 sig.= 0.000
B    263 THR N   . - B    267 PHE CA  . mod.= 5.754 id.= 5.752 dev= -0.003 sig.= 0.000
B    263 THR N   . - B    267 PHE C   . mod.= 5.420 id.= 5.417 dev= -0.003 sig.= 0.000
B    263 THR N   . - B    267 PHE O   . mod.= 4.442 id.= 4.440 dev= -0.002 sig.= 0.000
B    263 THR CA  . - B    266 TYR N   . mod.= 5.324 id.= 5.326 dev=  0.002 sig.= 0.000
B    263 THR CA  . - B    269 TYR O   . mod.= 5.795 id.= 5.793 dev= -0.002 sig.= 0.000
B    263 THR CA  . - B    270 GLY N   . mod.= 5.421 id.= 5.425 dev=  0.004 sig.= 0.000
B    263 THR CA  . - B    270 GLY CA  . mod.= 5.407 id.= 5.411 dev=  0.004 sig.= 0.000
B    263 THR O   . - B    265 THR CA  . mod.= 4.949 id.= 4.951 dev=  0.002 sig.= 0.000
B    263 THR O   . - B    267 PHE O   . mod.= 4.828 id.= 4.823 dev= -0.004 sig.= 0.000
B    263 THR O   . - B    268 LYS O   . mod.= 5.657 id.= 5.653 dev= -0.004 sig.= 0.000
B    264 GLY N   . - B    265 THR CA  . mod.= 4.131 id.= 4.129 dev= -0.002 sig.= 0.000
B    264 GLY N   . - B    268 LYS N   . mod.= 4.818 id.= 4.815 dev= -0.002 sig.= 0.000
B    264 GLY CA  . - B    265 THR CA  . mod.= 3.818 id.= 3.814 dev= -0.003 sig.= 0.000
B    264 GLY CA  . - B    265 THR O   . mod.= 5.667 id.= 5.669 dev=  0.002 sig.= 0.000
B    264 GLY CA  . - B    268 LYS N   . mod.= 5.516 id.= 5.513 dev= -0.003 sig.= 0.000
B    264 GLY C   . - B    266 TYR CA  . mod.= 5.582 id.= 5.586 dev=  0.004 sig.= 0.000
B    264 GLY C   . - B    268 LYS O   . mod.= 5.698 id.= 5.701 dev=  0.003 sig.= 0.000
B    264 GLY O   . - B    265 THR CA  . mod.= 2.770 id.= 2.765 dev= -0.005 sig.= 0.000
B    264 GLY O   . - B    265 THR C   . mod.= 4.029 id.= 4.032 dev=  0.003 sig.= 0.000
B    264 GLY O   . - B    265 THR O   . mod.= 4.516 id.= 4.520 dev=  0.004 sig.= 0.000
B    265 THR N   . - B    265 THR O   . mod.= 3.503 id.= 3.506 dev=  0.003 sig.= 0.000
B    265 THR N   . - B    266 TYR CA  . mod.= 4.357 id.= 4.363 dev=  0.006 sig.= 0.000
B    265 THR N   . - B    267 PHE N   . mod.= 4.266 id.= 4.269 dev=  0.002 sig.= 0.000
B    265 THR N   . - B    267 PHE CA  . mod.= 5.231 id.= 5.234 dev=  0.003 sig.= 0.000
B    265 THR CA  . - B    266 TYR CA  . mod.= 3.805 id.= 3.815 dev=  0.010 sig.= 0.000
B    265 THR CA  . - B    267 PHE C   . mod.= 5.478 id.= 5.474 dev= -0.004 sig.= 0.000
B    265 THR CA  . - B    267 PHE O   . mod.= 4.724 id.= 4.720 dev= -0.004 sig.= 0.000
B    265 THR C   . - B    266 TYR C   . mod.= 3.307 id.= 3.305 dev= -0.002 sig.= 0.000
B    265 THR O   . - B    266 TYR CA  . mod.= 2.777 id.= 2.782 dev=  0.005 sig.= 0.000
B    265 THR O   . - B    266 TYR C   . mod.= 3.476 id.= 3.473 dev= -0.003 sig.= 0.000
B    266 TYR N   . - B    267 PHE N   . mod.= 2.747 id.= 2.749 dev=  0.002 sig.= 0.000
B    266 TYR N   . - B    267 PHE CA  . mod.= 4.186 id.= 4.188 dev=  0.002 sig.= 0.000
B    266 TYR CA  . - B    267 PHE CA  . mod.= 3.867 id.= 3.858 dev= -0.009 sig.= 0.000
B    266 TYR CA  . - B    267 PHE C   . mod.= 4.776 id.= 4.769 dev= -0.007 sig.= 0.000
B    266 TYR CA  . - B    267 PHE O   . mod.= 4.692 id.= 4.686 dev= -0.006 sig.= 0.000
B    266 TYR CA  . - B    268 LYS N   . mod.= 5.953 id.= 5.948 dev= -0.006 sig.= 0.000
B    266 TYR C   . - B    268 LYS N   . mod.= 4.723 id.= 4.726 dev=  0.003 sig.= 0.000
B    266 TYR O   . - B    267 PHE C   . mod.= 4.228 id.= 4.231 dev=  0.002 sig.= 0.000
B    266 TYR O   . - B    268 LYS N   . mod.= 5.115 id.= 5.119 dev=  0.004 sig.= 0.000
B    267 PHE N   . - B    268 LYS CA  . mod.= 4.745 id.= 4.743 dev= -0.002 sig.= 0.000
B    267 PHE C   . - B    269 TYR CA  . mod.= 5.124 id.= 5.122 dev= -0.002 sig.= 0.000
B    267 PHE O   . - B    268 LYS O   . mod.= 3.594 id.= 3.596 dev=  0.002 sig.= 0.000
B    267 PHE O   . - B    269 TYR CA  . mod.= 5.218 id.= 5.216 dev= -0.002 sig.= 0.000
B    268 LYS CA  . - B    270 GLY N   . mod.= 4.883 id.= 4.881 dev= -0.002 sig.= 0.000
B    268 LYS O   . - B    269 TYR CA  . mod.= 2.757 id.= 2.755 dev= -0.002 sig.= 0.000
B    269 TYR N   . - B    270 GLY C   . mod.= 5.236 id.= 5.240 dev=  0.004 sig.= 0.000
B    269 TYR N   . - B    270 GLY O   . mod.= 5.108 id.= 5.114 dev=  0.005 sig.= 0.000
B    269 TYR CA  . - B    270 GLY CA  . mod.= 3.785 id.= 3.777 dev= -0.008 sig.= 0.000
B    269 TYR CA  . - B    270 GLY C   . mod.= 4.833 id.= 4.828 dev= -0.005 sig.= 0.000
B    269 TYR CA  . - B    271 ARG N   . mod.= 5.953 id.= 5.946 dev= -0.007 sig.= 0.000
B    269 TYR C   . - B    270 GLY C   . mod.= 3.621 id.= 3.623 dev=  0.002 sig.= 0.000
B    269 TYR C   . - B    270 GLY O   . mod.= 4.025 id.= 4.029 dev=  0.004 sig.= 0.000
B    269 TYR C   . - B    271 ARG CA  . mod.= 5.912 id.= 5.915 dev=  0.003 sig.= 0.000
B    269 TYR O   . - B    270 GLY CA  . mod.= 2.741 id.= 2.739 dev= -0.002 sig.= 0.000
B    269 TYR O   . - B    271 ARG O   . mod.= 5.909 id.= 5.905 dev= -0.005 sig.= 0.000
B    270 GLY N   . - B    270 GLY O   . mod.= 2.805 id.= 2.809 dev=  0.004 sig.= 0.000
B    270 GLY N   . - B    271 ARG N   . mod.= 3.653 id.= 3.656 dev=  0.003 sig.= 0.000
B    270 GLY N   . - B    271 ARG CA  . mod.= 4.899 id.= 4.904 dev=  0.005 sig.= 0.000
B    270 GLY N   . - B    271 ARG O   . mod.= 5.543 id.= 5.541 dev= -0.002 sig.= 0.000
B    270 GLY CA  . - B    271 ARG CA  . mod.= 3.794 id.= 3.798 dev=  0.004 sig.= 0.000
B    270 GLY O   . - B    272 ILE CA  . mod.= 5.237 id.= 5.241 dev=  0.005 sig.= 0.000
B    271 ARG N   . - B    272 ILE O   . mod.= 5.633 id.= 5.630 dev= -0.003 sig.= 0.000
B    271 ARG CA  . - B    272 ILE CA  . mod.= 3.834 id.= 3.837 dev=  0.003 sig.= 0.000
B    271 ARG CA  . - B    272 ILE C   . mod.= 4.577 id.= 4.580 dev=  0.003 sig.= 0.000
B    271 ARG CA  . - B    273 ASN N   . mod.= 5.524 id.= 5.527 dev=  0.003 sig.= 0.000
B    271 ARG O   . - B    272 ILE O   . mod.= 3.391 id.= 3.389 dev= -0.002 sig.= 0.000
B    272 ILE N   . - B    272 ILE O   . mod.= 2.894 id.= 2.901 dev=  0.007 sig.= 0.000
B    272 ILE N   . - B    273 ASN CA  . mod.= 4.853 id.= 4.859 dev=  0.006 sig.= 0.000
B    272 ILE CA  . - B    273 ASN CA  . mod.= 3.763 id.= 3.768 dev=  0.005 sig.= 0.000
B    272 ILE CA  . - B    273 ASN O   . mod.= 4.973 id.= 4.977 dev=  0.004 sig.= 0.000
B    272 ILE C   . - B    274 SER N   . mod.= 3.852 id.= 3.849 dev= -0.003 sig.= 0.000
B    272 ILE O   . - B    273 ASN C   . mod.= 3.880 id.= 3.882 dev=  0.002 sig.= 0.000
B    272 ILE O   . - B    273 ASN O   . mod.= 4.857 id.= 4.859 dev=  0.002 sig.= 0.000
B    272 ILE O   . - B    274 SER CA  . mod.= 5.482 id.= 5.485 dev=  0.003 sig.= 0.000
B    273 ASN N   . - B    274 SER N   . mod.= 3.117 id.= 3.114 dev= -0.003 sig.= 0.000
B    273 ASN CA  . - B    275 TYR C   . mod.= 5.744 id.= 5.746 dev=  0.003 sig.= 0.000
B    273 ASN CA  . - B    276 ASN CA  . mod.= 5.646 id.= 5.650 dev=  0.004 sig.= 0.000
B    273 ASN C   . - B    275 TYR CA  . mod.= 4.521 id.= 4.523 dev=  0.002 sig.= 0.000
B    273 ASN C   . - B    275 TYR C   . mod.= 4.739 id.= 4.743 dev=  0.004 sig.= 0.000
B    273 ASN C   . - B    275 TYR O   . mod.= 5.770 id.= 5.776 dev=  0.006 sig.= 0.000
B    273 ASN C   . - B    276 ASN N   . mod.= 4.126 id.= 4.128 dev=  0.002 sig.= 0.000
B    273 ASN C   . - B    276 ASN CA  . mod.= 4.915 id.= 4.920 dev=  0.005 sig.= 0.000
B    273 ASN O   . - B    274 SER C   . mod.= 3.125 id.= 3.123 dev= -0.002 sig.= 0.000
B    273 ASN O   . - B    275 TYR O   . mod.= 5.164 id.= 5.166 dev=  0.003 sig.= 0.000
B    273 ASN O   . - B    276 ASN N   . mod.= 3.538 id.= 3.536 dev= -0.002 sig.= 0.000
B    273 ASN O   . - B    276 ASN CA  . mod.= 4.057 id.= 4.059 dev=  0.002 sig.= 0.000
B    273 ASN O   . - B    277 ALA CA  . mod.= 3.893 id.= 3.895 dev=  0.003 sig.= 0.000
B    273 ASN O   . - B    277 ALA C   . mod.= 5.114 id.= 5.117 dev=  0.003 sig.= 0.000
B    273 ASN O   . - B    278 VAL N   . mod.= 5.227 id.= 5.229 dev=  0.002 sig.= 0.000
B    274 SER N   . - B    275 TYR O   . mod.= 5.809 id.= 5.812 dev=  0.003 sig.= 0.000
B    274 SER CA  . - B    275 TYR O   . mod.= 5.260 id.= 5.262 dev=  0.002 sig.= 0.000
B    274 SER CA  . - B    278 VAL N   . mod.= 5.174 id.= 5.176 dev=  0.002 sig.= 0.000
B    274 SER C   . - B    275 TYR O   . mod.= 3.814 id.= 3.817 dev=  0.002 sig.= 0.000
B    274 SER C   . - B    277 ALA N   . mod.= 3.858 id.= 3.855 dev= -0.004 sig.= 0.000
B    274 SER C   . - B    277 ALA CA  . mod.= 4.540 id.= 4.537 dev= -0.003 sig.= 0.000
B    274 SER C   . - B    277 ALA C   . mod.= 4.899 id.= 4.895 dev= -0.004 sig.= 0.000
B    274 SER C   . - B    278 VAL CA  . mod.= 5.195 id.= 5.199 dev=  0.004 sig.= 0.000
B    274 SER O   . - B    275 TYR CA  . mod.= 2.820 id.= 2.822 dev=  0.002 sig.= 0.000
B    274 SER O   . - B    275 TYR O   . mod.= 3.428 id.= 3.430 dev=  0.002 sig.= 0.000
B    274 SER O   . - B    277 ALA N   . mod.= 3.474 id.= 3.471 dev= -0.003 sig.= 0.000
B    274 SER O   . - B    277 ALA CA  . mod.= 3.887 id.= 3.884 dev= -0.003 sig.= 0.000
B    274 SER O   . - B    277 ALA C   . mod.= 3.933 id.= 3.929 dev= -0.005 sig.= 0.000
B    274 SER O   . - B    277 ALA O   . mod.= 5.118 id.= 5.110 dev= -0.009 sig.= 0.000
B    274 SER O   . - B    278 VAL CA  . mod.= 4.003 id.= 4.008 dev=  0.005 sig.= 0.000
B    274 SER O   . - B    278 VAL C   . mod.= 5.111 id.= 5.118 dev=  0.007 sig.= 0.000
B    274 SER O   . - B    279 THR N   . mod.= 5.189 id.= 5.195 dev=  0.006 sig.= 0.000
B    275 TYR N   . - B    275 TYR O   . mod.= 3.470 id.= 3.473 dev=  0.003 sig.= 0.000
B    275 TYR N   . - B    277 ALA N   . mod.= 4.242 id.= 4.239 dev= -0.003 sig.= 0.000
B    275 TYR N   . - B    277 ALA C   . mod.= 5.648 id.= 5.646 dev= -0.002 sig.= 0.000
B    275 TYR N   . - B    278 VAL CA  . mod.= 5.871 id.= 5.875 dev=  0.003 sig.= 0.000
B    275 TYR CA  . - B    277 ALA N   . mod.= 4.329 id.= 4.325 dev= -0.004 sig.= 0.000
B    275 TYR CA  . - B    277 ALA CA  . mod.= 5.443 id.= 5.440 dev= -0.002 sig.= 0.000
B    275 TYR CA  . - B    277 ALA C   . mod.= 5.603 id.= 5.601 dev= -0.002 sig.= 0.000
B    275 TYR CA  . - B    278 VAL C   . mod.= 5.963 id.= 5.966 dev=  0.002 sig.= 0.000
B    275 TYR CA  . - B    279 THR N   . mod.= 5.544 id.= 5.549 dev=  0.004 sig.= 0.000
B    275 TYR C   . - B    276 ASN O   . mod.= 4.037 id.= 4.039 dev=  0.002 sig.= 0.000
B    275 TYR C   . - B    277 ALA N   . mod.= 3.266 id.= 3.264 dev= -0.002 sig.= 0.000
B    275 TYR C   . - B    277 ALA O   . mod.= 5.698 id.= 5.695 dev= -0.004 sig.= 0.000
B    275 TYR C   . - B    279 THR N   . mod.= 4.433 id.= 4.436 dev=  0.003 sig.= 0.000
B    275 TYR C   . - B    279 THR CA  . mod.= 5.250 id.= 5.256 dev=  0.006 sig.= 0.000
B    275 TYR O   . - B    277 ALA N   . mod.= 3.425 id.= 3.423 dev= -0.002 sig.= 0.000
B    275 TYR O   . - B    277 ALA CA  . mod.= 4.420 id.= 4.418 dev= -0.002 sig.= 0.000
B    275 TYR O   . - B    277 ALA C   . mod.= 4.213 id.= 4.210 dev= -0.003 sig.= 0.000
B    275 TYR O   . - B    277 ALA O   . mod.= 5.107 id.= 5.101 dev= -0.005 sig.= 0.000
B    275 TYR O   . - B    278 VAL N   . mod.= 3.441 id.= 3.439 dev= -0.002 sig.= 0.000
B    275 TYR O   . - B    278 VAL CA  . mod.= 4.016 id.= 4.011 dev= -0.005 sig.= 0.000
B    275 TYR O   . - B    278 VAL C   . mod.= 4.019 id.= 4.014 dev= -0.005 sig.= 0.000
B    275 TYR O   . - B    279 THR CA  . mod.= 4.089 id.= 4.092 dev=  0.003 sig.= 0.000
B    275 TYR O   . - B    279 THR C   . mod.= 4.978 id.= 4.986 dev=  0.009 sig.= 0.000
B    275 TYR O   . - B    279 THR O   . mod.= 5.803 id.= 5.815 dev=  0.012 sig.= 0.000
B    275 TYR O   . - B    280 TYR N   . mod.= 5.229 id.= 5.235 dev=  0.006 sig.= 0.000
B    276 ASN N   . - B    277 ALA N   . mod.= 2.786 id.= 2.783 dev= -0.003 sig.= 0.000
B    276 ASN N   . - B    277 ALA O   . mod.= 5.802 id.= 5.799 dev= -0.003 sig.= 0.000
B    276 ASN N   . - B    279 THR N   . mod.= 5.030 id.= 5.033 dev=  0.002 sig.= 0.000
B    276 ASN N   . - B    279 THR CA  . mod.= 5.776 id.= 5.781 dev=  0.004 sig.= 0.000
B    276 ASN CA  . - B    277 ALA C   . mod.= 4.462 id.= 4.466 dev=  0.004 sig.= 0.000
B    276 ASN CA  . - B    278 VAL C   . mod.= 5.671 id.= 5.668 dev= -0.003 sig.= 0.000
B    276 ASN CA  . - B    279 THR O   . mod.= 5.967 id.= 5.972 dev=  0.005 sig.= 0.000
B    276 ASN CA  . - B    280 TYR N   . mod.= 5.239 id.= 5.243 dev=  0.003 sig.= 0.000
B    276 ASN CA  . - B    280 TYR CA  . mod.= 5.916 id.= 5.919 dev=  0.004 sig.= 0.000
B    276 ASN C   . - B    277 ALA C   . mod.= 3.117 id.= 3.123 dev=  0.006 sig.= 0.000
B    276 ASN C   . - B    278 VAL N   . mod.= 3.479 id.= 3.482 dev=  0.002 sig.= 0.000
B    276 ASN C   . - B    279 THR O   . mod.= 5.461 id.= 5.463 dev=  0.002 sig.= 0.000
B    276 ASN C   . - B    280 TYR CA  . mod.= 4.826 id.= 4.828 dev=  0.002 sig.= 0.000
B    276 ASN O   . - B    277 ALA C   . mod.= 3.138 id.= 3.144 dev=  0.007 sig.= 0.000
B    276 ASN O   . - B    277 ALA O   . mod.= 3.483 id.= 3.487 dev=  0.004 sig.= 0.000
B    276 ASN O   . - B    278 VAL N   . mod.= 3.710 id.= 3.712 dev=  0.002 sig.= 0.000
B    276 ASN O   . - B    279 THR N   . mod.= 3.556 id.= 3.553 dev= -0.003 sig.= 0.000
B    276 ASN O   . - B    279 THR CA  . mod.= 4.058 id.= 4.055 dev= -0.003 sig.= 0.000
B    276 ASN O   . - B    279 THR C   . mod.= 3.683 id.= 3.680 dev= -0.004 sig.= 0.000
B    276 ASN O   . - B    279 THR O   . mod.= 4.434 id.= 4.431 dev= -0.002 sig.= 0.000
B    276 ASN O   . - B    280 TYR C   . mod.= 5.143 id.= 5.148 dev=  0.005 sig.= 0.000
B    276 ASN O   . - B    280 TYR O   . mod.= 5.937 id.= 5.942 dev=  0.005 sig.= 0.000
B    277 ALA CA  . - B    279 THR N   . mod.= 4.349 id.= 4.346 dev= -0.003 sig.= 0.000
B    277 ALA CA  . - B    279 THR CA  . mod.= 5.500 id.= 5.497 dev= -0.003 sig.= 0.000
B    277 ALA CA  . - B    279 THR C   . mod.= 5.477 id.= 5.473 dev= -0.004 sig.= 0.000
B    277 ALA CA  . - B    280 TYR N   . mod.= 4.599 id.= 4.594 dev= -0.005 sig.= 0.000
B    277 ALA CA  . - B    280 TYR CA  . mod.= 5.099 id.= 5.096 dev= -0.003 sig.= 0.000
B    277 ALA C   . - B    280 TYR CA  . mod.= 4.599 id.= 4.603 dev=  0.004 sig.= 0.000
B    277 ALA C   . - B    280 TYR C   . mod.= 5.702 id.= 5.698 dev= -0.004 sig.= 0.000
B    277 ALA O   . - B    278 VAL CA  . mod.= 2.749 id.= 2.743 dev= -0.006 sig.= 0.000
B    277 ALA O   . - B    280 TYR CA  . mod.= 3.828 id.= 3.835 dev=  0.007 sig.= 0.000
B    277 ALA O   . - B    280 TYR C   . mod.= 4.742 id.= 4.738 dev= -0.004 sig.= 0.000
B    277 ALA O   . - B    280 TYR O   . mod.= 5.902 id.= 5.894 dev= -0.009 sig.= 0.000
B    278 VAL N   . - B    278 VAL O   . mod.= 3.673 id.= 3.679 dev=  0.006 sig.= 0.000
B    278 VAL N   . - B    279 THR N   . mod.= 2.790 id.= 2.793 dev=  0.003 sig.= 0.000
B    278 VAL N   . - B    279 THR CA  . mod.= 4.215 id.= 4.218 dev=  0.002 sig.= 0.000
B    278 VAL N   . - B    279 THR C   . mod.= 4.798 id.= 4.802 dev=  0.004 sig.= 0.000
B    278 VAL CA  . - B    279 THR CA  . mod.= 3.789 id.= 3.786 dev= -0.002 sig.= 0.000
B    278 VAL C   . - B    279 THR O   . mod.= 4.543 id.= 4.540 dev= -0.003 sig.= 0.000
B    278 VAL C   . - B    280 TYR C   . mod.= 5.425 id.= 5.423 dev= -0.002 sig.= 0.000
B    278 VAL O   . - B    279 THR CA  . mod.= 2.757 id.= 2.751 dev= -0.005 sig.= 0.000
B    278 VAL O   . - B    279 THR O   . mod.= 4.722 id.= 4.717 dev= -0.005 sig.= 0.000
B    278 VAL O   . - B    280 TYR N   . mod.= 3.880 id.= 3.877 dev= -0.003 sig.= 0.000
B    278 VAL O   . - B    280 TYR CA  . mod.= 5.195 id.= 5.193 dev= -0.003 sig.= 0.000
B    278 VAL O   . - B    280 TYR C   . mod.= 5.489 id.= 5.483 dev= -0.007 sig.= 0.000
B    279 THR N   . - B    279 THR O   . mod.= 3.555 id.= 3.558 dev=  0.003 sig.= 0.000
B    279 THR N   . - B    280 TYR C   . mod.= 4.951 id.= 4.954 dev=  0.003 sig.= 0.000
B    279 THR CA  . - B    280 TYR C   . mod.= 4.479 id.= 4.487 dev=  0.008 sig.= 0.000
B    279 THR CA  . - B    280 TYR O   . mod.= 5.429 id.= 5.436 dev=  0.007 sig.= 0.000
B    279 THR C   . - B    280 TYR C   . mod.= 3.148 id.= 3.154 dev=  0.005 sig.= 0.000
B    279 THR C   . - B    280 TYR O   . mod.= 4.008 id.= 4.012 dev=  0.004 sig.= 0.000
B    279 THR O   . - B    280 TYR CA  . mod.= 2.856 id.= 2.846 dev= -0.010 sig.= 0.000
B    279 THR O   . - B    280 TYR C   . mod.= 3.227 id.= 3.234 dev=  0.006 sig.= 0.000
B    279 THR O   . - B    280 TYR O   . mod.= 3.735 id.= 3.743 dev=  0.008 sig.= 0.000

    ****                          Bond angle outliers                           ****

Bond angle deviations from the ideal >10.000Sigma will be monitored

A     54 ILE CB    - A     54 ILE C     mod.=  87.07 id.= 109.10 dev= 22.027 sig.=  2.200
B    221 TYR CB    - B    221 TYR C     mod.=  88.88 id.= 110.10 dev= 21.216 sig.=  1.900


 Limits of asymmetric unit      : 1.00 1.00 0.50
 Grid spacing to be used        :   192  216  180
 Maximuum H,K,L                 :    49   55   43
 Minimum acceptable grid spacing:   123  140  109
 Limits of asymmetric unit      : 1.00 1.00 0.50
 Grid spacing to be used        :   192  216  180
 Maximuum H,K,L                 :    49   55   43
 Minimum acceptable grid spacing:   123  140  109

 WRITTEN OUTPUT MTZ FILE 
 Logical Name: HKLOUT   Filename: refmac_prosmart.mtz 

Norm of X_ray positional gradient                0.00
Norm of Geom. positional gradient                0.00
Norm of X_ray B-factor gradient                  0.00
Norm of Geom. B-factor gradient                  0.00
Product of X_ray and Geom posit. gradients       0.00
 Cosine of angle between them                       0.000
Product of X_ray and Geom B-fact gradients       0.00
 Cosine of angle between them                       0.000


Residuals: XRAY=     0.1629E+08 GEOM=     0.6876E+05 TOTAL=     0.1636E+08

-------------------------------------------------------------------------------
             Restraint type              N restraints   Rms Delta   Av(Sigma)
Bond distances: refined atoms                  4146     0.024     0.020
Bond distances: others                         3716     0.007     0.020
External distances: refined atoms             23442     0.013     0.010
Bond angles  : refined atoms                   5674     3.103     1.925
Bond angles  : others                          8496     2.069     3.001
Torsion angles, period  1. refined              538     3.859     5.000
Torsion angles, period  2. refined              190    39.462    25.158
Torsion angles, period  3. refined              580    25.976    15.000
Torsion angles, period  3. others                 4    16.652    15.000
Torsion angles, period  4. refined               14    21.312    15.000
Chiral centres: refined atoms                   644     0.247     0.200
Planar groups: refined atoms                   4920     0.015     0.020
Planar groups: others                           970     0.006     0.020
VDW repulsions: refined_atoms                  1458     0.277     0.200
VDW repulsions.others                          4874     0.251     0.200
VDW; torsion: refined_atoms                    2107     0.214     0.200
VDW; torsion.others                            2734     0.118     0.200
HBOND: refined_atoms                            157     0.353     0.200
HBOND.others                                     13     0.172     0.200
M. chain bond B values: refined atoms          2164    14.368     8.332
M. chain bond B values: others                 2163    14.371     8.333
M. chain angle B values: refined atoms         2698    21.749    12.503
M. chain angle B values: others                2699    21.745    12.502
S. chain bond B values: refined atoms          1982    12.481     7.509
S. chain bond B values: others                 1982    12.480     7.508
S. chain angle B values: refined atoms         2976    19.847    11.407
S. chain angle B values: others                2976    19.846    11.407
Long range B values: refined atoms            35784    43.080    87.970
Long range B values: others                   35785    43.080    87.969
ncsr local: group    1                        16607     0.088     0.050
-------------------------------------------------------------------------------

-----------------------------------------------------------------------------
Overall               : scale =    1.118, B  =  -0.389
Partial structure    1: scale =    0.403, B  =  75.287
Overall anisotropic scale factors
   B11 = -0.35 B22 =  5.94 B33 = -5.60 B12 =  0.00 B13 = -0.00 B23 =  0.00
-----------------------------------------------------------------------------

-----------------------------------------------------------------------------

    ****                Things for loggraph, R factor and others                ****


$TABLE: Cycle  301. Rfactor analysis, F distribution v resln  :
$GRAPHS:Cycle  301.  v. resln :N:1,6,7,11,12:
:Cycle  301.  and  v. resln :N:1,4,5,9,10:
:Cycle  301. % observed v. resln :N:1,3:
$$
M(4SSQ/LL) NR_used %_obs M(Fo_used) M(Fc_used) Rf_used WR_used
NR_free M(Fo_free) M(Fc_free) Rf_free   WR_free $$
$$
 0.005     741  91.81  1025.6   721.1  0.53  0.62      33   803.6   544.7  0.47  0.50
 0.014    1292  99.85   772.0   663.5  0.50  0.62      85   701.5   682.3  0.63  0.81
 0.023    1633 100.00   510.2   441.2  0.52  0.58      83   559.6   420.6  0.53  0.58
 0.032    1891 100.00   473.9   395.5  0.55  0.58     106   469.3   396.9  0.60  0.66
 0.041    2139  99.96   502.3   418.3  0.52  0.55     114   462.5   418.2  0.55  0.57
 0.050    2358 100.00   489.1   398.1  0.49  0.50     119   435.5   365.0  0.51  0.54
 0.059    2542 100.00   417.1   321.6  0.53  0.53     137   384.8   302.9  0.51  0.50
 0.068    2721 100.00   342.4   259.0  0.52  0.50     135   315.5   241.9  0.55  0.52
 0.077    2868 100.00   293.4   217.2  0.50  0.48     148   275.5   221.8  0.51  0.49
 0.086    3066  99.97   242.8   180.4  0.50  0.47     149   256.5   197.7  0.50  0.47
 0.095    3184 100.00   201.5   153.3  0.52  0.48     159   204.0   150.8  0.52  0.50
 0.104    3330 100.00   161.2   132.7  0.50  0.46     172   152.3   126.6  0.57  0.53
 0.113    3447 100.00   137.9   115.9  0.55  0.50     190   144.8   116.2  0.55  0.52
 0.122    3609 100.00   111.8   102.2  0.55  0.50     185   115.5    98.2  0.59  0.53
 0.131    3716 100.00    96.2    89.8  0.49  0.45     197    94.4    95.4  0.62  0.55
 0.140    3843  99.98    85.4    81.2  0.44  0.40     224    85.9    76.3  0.51  0.48
 0.149    3965 100.00    75.1    70.2  0.44  0.42     214    79.0    79.3  0.57  0.54
 0.159    4015 100.00    68.0    63.7  0.48  0.46     237    68.5    62.8  0.49  0.47
 0.168    4152  99.64    63.9    54.6  0.33  0.31     231    62.4    57.4  0.43  0.42
 0.177    4117  95.90    59.3    47.6  0.37  0.36     232    61.7    50.5  0.48  0.52
$$

    ****                      Fom and SigmaA vs resolution                      ****

 $TABLE: Cycle  301. Fom(-acentric, centric, overall v resln:
 $GRAPHS:Cycle  301. M(Fom) v. resln :N:1,3,5,7,8:
 $$
 <4SSQ/LL> NREFa  FOMa  NREFc FOMc NREFall FOMall  SigmaA_Fc1 $$
 $$
  0.0051   520   0.568   221   0.413   741   0.522  0.659
  0.0141  1036   0.546   256   0.405  1292   0.518  0.617
  0.0231  1377   0.377   256   0.352  1633   0.373  0.585
  0.0321  1635   0.345   256   0.290  1891   0.338  0.535
  0.0412  1876   0.361   263   0.319  2139   0.356  0.508
  0.0502  2094   0.499   264   0.397  2358   0.488  0.686
  0.0592  2280   0.419   262   0.332  2542   0.410  0.645
  0.0682  2464   0.342   257   0.260  2721   0.334  0.585
  0.0773  2597   0.396   271   0.315  2868   0.388  0.681
  0.0863  2809   0.421   257   0.326  3066   0.413  0.709
  0.0953  2928   0.241   256   0.206  3184   0.238  0.417
  0.1044  3070   0.299   260   0.262  3330   0.296  0.495
  0.1134  3187   0.098   260   0.080  3447   0.097  0.143
  0.1224  3345   0.120   264   0.093  3609   0.118  0.186
  0.1314  3454   0.271   262   0.214  3716   0.267  0.360
  0.1405  3576   0.430   267   0.385  3843   0.427  0.551
  0.1495  3701   0.385   264   0.317  3965   0.381  0.484
  0.1585  3756   0.212   259   0.221  4015   0.212  0.281
  0.1675  3899   0.604   253   0.583  4152   0.603  0.781
  0.1766  3883   0.512   235   0.435  4118   0.507  0.785
 $$
Resolution limits                    =     39.241     2.350
Number of used reflections           =      58629
Percentage observed                  =    99.5280
Percentage of free reflections       =     5.0988
Overall R factor                     =     0.5041
Free R factor                        =     0.5397
Overall weighted R factor            =     0.5101
Free weighted R factor               =     0.5475
Overall weighted R2 factor           =     0.6449
Free weighted R2 factor              =     0.6976
Overall correlation coefficient      =     0.6645
Free correlation coefficient         =     0.6283
Cruickshanks DPI for coordinate error=     0.3738
DPI based on free R factor           =     0.3402
Overall figure of merit              =     0.3520
ML based su of positional parameters =     0.6715
ML based su of thermal parameters    =    25.4337
-----------------------------------------------------------------------------
  Time in seconds: CPU =     13138.81
             Elapsed =       13184.00

    ****           Things for loggraph, R factor and others vs cycle            ****


$TABLE: Rfactor analysis, stats vs cycle  :
$GRAPHS: vs cycle :N:1,2,3:
:FOM vs cycle :N:1,4:
:-LL vs cycle :N:1,5:
:-LLfree vs cycle :N:1,6:
:Geometry vs cycle:N:1,7,8,9,10,11:
$$
    Ncyc    Rfact    Rfree     FOM      -LL     -LLfree  rmsBOND  zBOND rmsANGL  zANGL rmsCHIRAL $$
$$
       0   0.5568   0.5527   0.233    335154.   17897.9   0.0139  0.694   1.799  0.832   0.157
       1   0.5456   0.5492   0.236    333744.   17832.6   0.0469  2.309   2.930  1.479   0.218
       2   0.5347   0.5440   0.279    330882.   17695.7   0.0507  2.482   3.270  1.655   0.236
       3   0.5303   0.5386   0.299    328740.   17599.3   0.0420  2.042   3.254  1.631   0.227
       4   0.5247   0.5369   0.313    327030.   17530.0   0.0362  1.757   3.155  1.582   0.219
       5   0.5223   0.5357   0.318    326541.   17510.7   0.0319  1.547   3.053  1.527   0.214
       6   0.5212   0.5348   0.323    325977.   17487.4   0.0300  1.458   3.003  1.503   0.214
       7   0.5201   0.5337   0.324    325418.   17460.4   0.0285  1.385   2.955  1.477   0.213
       8   0.5197   0.5334   0.326    325029.   17443.0   0.0279  1.356   2.937  1.470   0.213
       9   0.5189   0.5330   0.328    324733.   17427.1   0.0275  1.335   2.926  1.463   0.214
      10   0.5186   0.5329   0.328    324404.   17411.3   0.0271  1.317   2.920  1.461   0.214
      11   0.5177   0.5329   0.329    324137.   17396.6   0.0270  1.313   2.923  1.458   0.215
      12   0.5178   0.5326   0.328    323959.   17388.1   0.0269  1.307   2.927  1.463   0.216
      13   0.5169   0.5330   0.329    323870.   17386.8   0.0267  1.296   2.926  1.460   0.216
      14   0.5167   0.5329   0.330    323867.   17387.5   0.0264  1.283   2.927  1.460   0.216
      15   0.5162   0.5327   0.332    323774.   17384.0   0.0264  1.285   2.927  1.459   0.217
      16   0.5160   0.5329   0.332    323758.   17384.6   0.0261  1.271   2.926  1.459   0.217
      17   0.5154   0.5325   0.333    323680.   17380.8   0.0262  1.277   2.928  1.458   0.217
      18   0.5154   0.5325   0.334    324050.   17402.7   0.0259  1.261   2.927  1.459   0.217
      19   0.5152   0.5320   0.334    324155.   17408.5   0.0259  1.261   2.922  1.454   0.217
      20   0.5151   0.5325   0.334    324292.   17417.9   0.0256  1.247   2.920  1.453   0.217
      21   0.5149   0.5324   0.334    324350.   17421.8   0.0254  1.240   2.917  1.451   0.217
      22   0.5148   0.5324   0.334    324347.   17422.5   0.0253  1.234   2.917  1.451   0.217
      23   0.5144   0.5325   0.335    324367.   17424.0   0.0253  1.233   2.919  1.451   0.218
      24   0.5142   0.5323   0.335    324331.   17422.8   0.0252  1.227   2.923  1.454   0.219
      25   0.5139   0.5322   0.335    324268.   17419.6   0.0252  1.229   2.926  1.455   0.219
      26   0.5138   0.5324   0.335    324195.   17416.4   0.0251  1.223   2.928  1.456   0.220
      27   0.5135   0.5325   0.335    324069.   17410.3   0.0251  1.223   2.934  1.459   0.221
      28   0.5134   0.5326   0.335    324154.   17415.8   0.0250  1.221   2.937  1.460   0.222
      29   0.5133   0.5326   0.335    324137.   17414.8   0.0250  1.220   2.938  1.461   0.222
      30   0.5133   0.5326   0.335    324119.   17414.0   0.0250  1.220   2.939  1.461   0.222
      31   0.5132   0.5326   0.335    324093.   17412.7   0.0250  1.219   2.940  1.462   0.222
      32   0.5132   0.5328   0.334    324013.   17408.5   0.0250  1.219   2.941  1.463   0.222
      33   0.5131   0.5328   0.334    324008.   17408.2   0.0250  1.219   2.943  1.463   0.223
      34   0.5129   0.5329   0.334    324009.   17409.3   0.0250  1.220   2.948  1.467   0.223
      35   0.5129   0.5328   0.334    324016.   17409.9   0.0250  1.219   2.949  1.467   0.223
      36   0.5129   0.5330   0.334    324032.   17410.8   0.0250  1.219   2.950  1.468   0.223
      37   0.5128   0.5331   0.334    324039.   17411.5   0.0250  1.218   2.951  1.468   0.223
      38   0.5128   0.5330   0.335    324145.   17417.6   0.0250  1.218   2.952  1.469   0.223
      39   0.5127   0.5331   0.335    324214.   17421.6   0.0250  1.217   2.953  1.470   0.224
      40   0.5127   0.5331   0.335    324178.   17419.6   0.0249  1.216   2.954  1.470   0.224
      41   0.5127   0.5331   0.335    324217.   17421.8   0.0249  1.215   2.954  1.470   0.224
      42   0.5127   0.5333   0.335    324232.   17422.8   0.0249  1.215   2.955  1.471   0.224
      43   0.5126   0.5333   0.335    324324.   17428.2   0.0249  1.214   2.956  1.471   0.224
      44   0.5126   0.5334   0.335    324341.   17429.1   0.0249  1.213   2.956  1.472   0.224
      45   0.5126   0.5335   0.335    324358.   17430.2   0.0249  1.212   2.957  1.472   0.224
      46   0.5126   0.5336   0.335    324432.   17434.4   0.0249  1.212   2.957  1.472   0.224
      47   0.5126   0.5336   0.335    324455.   17435.8   0.0248  1.211   2.958  1.473   0.224
      48   0.5125   0.5337   0.335    324495.   17438.0   0.0248  1.210   2.958  1.473   0.225
      49   0.5125   0.5337   0.335    324509.   17439.1   0.0248  1.209   2.959  1.474   0.225
      50   0.5124   0.5339   0.335    324520.   17439.9   0.0248  1.208   2.960  1.474   0.225
      51   0.5124   0.5340   0.335    324739.   17452.5   0.0248  1.208   2.961  1.475   0.225
      52   0.5124   0.5341   0.335    324825.   17457.4   0.0248  1.207   2.961  1.475   0.225
      53   0.5124   0.5342   0.335    324835.   17457.9   0.0247  1.205   2.961  1.475   0.225
      54   0.5123   0.5342   0.335    324854.   17458.9   0.0247  1.204   2.962  1.476   0.225
      55   0.5123   0.5342   0.335    324876.   17460.3   0.0247  1.203   2.962  1.476   0.225
      56   0.5122   0.5340   0.338    324988.   17466.8   0.0247  1.201   2.965  1.478   0.226
      57   0.5118   0.5345   0.339    324932.   17463.9   0.0246  1.197   2.965  1.478   0.228
      58   0.5116   0.5350   0.339    324827.   17458.4   0.0246  1.196   2.967  1.479   0.229
      59   0.5114   0.5356   0.339    324800.   17457.5   0.0246  1.195   2.970  1.481   0.230
      60   0.5113   0.5359   0.339    324768.   17456.0   0.0246  1.195   2.973  1.483   0.230
      61   0.5111   0.5361   0.339    324794.   17457.5   0.0246  1.193   2.977  1.485   0.230
      62   0.5110   0.5362   0.339    324825.   17459.4   0.0245  1.193   2.981  1.487   0.231
      63   0.5109   0.5367   0.339    324879.   17462.4   0.0245  1.190   2.984  1.489   0.232
      64   0.5109   0.5372   0.339    324905.   17463.8   0.0245  1.191   2.987  1.491   0.233
      65   0.5108   0.5376   0.341    324993.   17469.2   0.0245  1.187   2.990  1.493   0.234
      66   0.5108   0.5377   0.341    325022.   17470.6   0.0244  1.187   2.992  1.494   0.234
      67   0.5107   0.5379   0.341    325033.   17471.6   0.0244  1.184   2.995  1.496   0.234
      68   0.5106   0.5381   0.342    325111.   17475.8   0.0244  1.186   2.998  1.497   0.234
      69   0.5103   0.5385   0.342    325048.   17473.1   0.0244  1.186   3.002  1.500   0.235
      70   0.5103   0.5384   0.342    325100.   17475.4   0.0245  1.191   3.006  1.502   0.235
      71   0.5102   0.5387   0.342    325015.   17471.2   0.0245  1.187   3.006  1.502   0.235
      72   0.5100   0.5386   0.343    325116.   17476.9   0.0245  1.190   3.009  1.504   0.235
      73   0.5100   0.5388   0.343    325107.   17476.3   0.0244  1.185   3.010  1.505   0.235
      74   0.5099   0.5390   0.343    325146.   17478.9   0.0245  1.189   3.012  1.506   0.234
      75   0.5099   0.5393   0.343    325128.   17478.0   0.0244  1.184   3.012  1.507   0.234
      76   0.5098   0.5394   0.343    325110.   17477.2   0.0245  1.190   3.015  1.508   0.234
      77   0.5097   0.5396   0.343    325209.   17483.2   0.0244  1.184   3.015  1.509   0.233
      78   0.5096   0.5395   0.344    325170.   17481.7   0.0246  1.190   3.018  1.510   0.233
      79   0.5096   0.5397   0.344    325270.   17487.3   0.0244  1.180   3.015  1.510   0.233
      80   0.5095   0.5395   0.344    325281.   17488.1   0.0246  1.191   3.019  1.511   0.232
      81   0.5095   0.5401   0.344    325341.   17491.8   0.0243  1.177   3.016  1.510   0.232
      82   0.5094   0.5397   0.344    325356.   17491.7   0.0247  1.194   3.021  1.512   0.231
      83   0.5092   0.5399   0.344    325331.   17491.4   0.0245  1.187   3.021  1.513   0.232
      84   0.5091   0.5398   0.344    325323.   17491.3   0.0247  1.194   3.025  1.515   0.232
      85   0.5090   0.5401   0.344    325345.   17492.8   0.0246  1.192   3.027  1.516   0.232
      86   0.5089   0.5400   0.344    325337.   17492.7   0.0247  1.197   3.031  1.518   0.232
      87   0.5089   0.5402   0.344    325345.   17493.6   0.0247  1.193   3.032  1.519   0.232
      88   0.5088   0.5399   0.345    325317.   17492.1   0.0248  1.199   3.035  1.520   0.232
      89   0.5087   0.5403   0.344    325260.   17489.4   0.0247  1.194   3.036  1.521   0.232
      90   0.5086   0.5401   0.345    325209.   17486.6   0.0249  1.205   3.040  1.522   0.232
      91   0.5086   0.5403   0.345    325235.   17488.4   0.0248  1.199   3.040  1.523   0.232
      92   0.5085   0.5401   0.345    325257.   17489.9   0.0248  1.201   3.042  1.524   0.232
      93   0.5085   0.5402   0.345    325214.   17487.7   0.0248  1.199   3.043  1.525   0.233
      94   0.5084   0.5401   0.345    325230.   17488.7   0.0249  1.202   3.046  1.526   0.232
      95   0.5084   0.5403   0.345    325295.   17492.6   0.0248  1.199   3.046  1.526   0.233
      96   0.5083   0.5401   0.345    325312.   17493.5   0.0249  1.202   3.048  1.527   0.233
      97   0.5083   0.5404   0.345    325347.   17495.7   0.0248  1.198   3.049  1.528   0.233
      98   0.5082   0.5402   0.345    325378.   17497.3   0.0249  1.203   3.051  1.529   0.233
      99   0.5082   0.5406   0.346    325047.   17479.4   0.0248  1.200   3.051  1.529   0.233
     100   0.5080   0.5407   0.346    325120.   17484.1   0.0249  1.203   3.052  1.530   0.233
     101   0.5080   0.5408   0.346    325146.   17485.7   0.0248  1.199   3.052  1.530   0.233
     102   0.5079   0.5408   0.346    325113.   17484.2   0.0248  1.201   3.054  1.530   0.233
     103   0.5079   0.5409   0.346    325128.   17485.0   0.0248  1.198   3.054  1.531   0.233
     104   0.5078   0.5409   0.346    325120.   17484.8   0.0249  1.202   3.057  1.532   0.233
     105   0.5078   0.5409   0.346    325129.   17485.5   0.0248  1.201   3.057  1.532   0.233
     106   0.5077   0.5410   0.346    325188.   17489.0   0.0248  1.199   3.057  1.532   0.233
     107   0.5077   0.5411   0.346    325214.   17490.7   0.0249  1.201   3.059  1.533   0.233
     108   0.5077   0.5411   0.346    325250.   17492.8   0.0248  1.200   3.059  1.533   0.233
     109   0.5077   0.5411   0.346    325258.   17493.3   0.0248  1.200   3.060  1.533   0.233
     110   0.5076   0.5412   0.346    325272.   17494.3   0.0248  1.200   3.061  1.534   0.233
     111   0.5075   0.5411   0.346    325306.   17496.4   0.0248  1.200   3.062  1.535   0.233
     112   0.5075   0.5411   0.346    325338.   17498.3   0.0248  1.200   3.063  1.535   0.233
     113   0.5075   0.5411   0.345    325369.   17499.9   0.0248  1.201   3.064  1.536   0.233
     114   0.5074   0.5412   0.345    325404.   17501.4   0.0249  1.202   3.065  1.536   0.233
     115   0.5072   0.5411   0.346    325415.   17502.7   0.0250  1.210   3.072  1.540   0.233
     116   0.5072   0.5411   0.346    325469.   17505.9   0.0250  1.209   3.072  1.540   0.234
     117   0.5073   0.5412   0.346    325508.   17508.1   0.0250  1.206   3.073  1.541   0.234
     118   0.5072   0.5411   0.346    325480.   17506.9   0.0250  1.210   3.076  1.542   0.234
     119   0.5072   0.5415   0.346    325478.   17507.1   0.0250  1.207   3.078  1.543   0.234
     120   0.5071   0.5415   0.346    325450.   17506.8   0.0251  1.211   3.080  1.544   0.234
     121   0.5071   0.5415   0.346    325506.   17509.6   0.0250  1.206   3.079  1.544   0.234
     122   0.5071   0.5421   0.346    325341.   17500.7   0.0249  1.205   3.079  1.544   0.234
     123   0.5070   0.5422   0.346    325306.   17499.2   0.0250  1.207   3.080  1.544   0.234
     124   0.5069   0.5422   0.346    325374.   17503.3   0.0250  1.207   3.081  1.545   0.235
     125   0.5069   0.5422   0.346    325301.   17499.4   0.0249  1.205   3.081  1.545   0.235
     126   0.5068   0.5424   0.346    325288.   17498.9   0.0250  1.207   3.082  1.545   0.235
     127   0.5068   0.5424   0.346    325351.   17502.9   0.0249  1.205   3.082  1.546   0.235
     128   0.5068   0.5424   0.346    325364.   17503.7   0.0249  1.205   3.082  1.546   0.235
     129   0.5068   0.5424   0.346    325342.   17502.6   0.0249  1.205   3.082  1.546   0.235
     130   0.5068   0.5423   0.346    325370.   17504.4   0.0249  1.204   3.082  1.546   0.235
     131   0.5067   0.5422   0.346    325335.   17503.2   0.0249  1.205   3.082  1.546   0.235
     132   0.5068   0.5421   0.346    325403.   17506.5   0.0248  1.199   3.080  1.545   0.235
     133   0.5067   0.5422   0.346    325352.   17503.3   0.0249  1.201   3.079  1.545   0.235
     134   0.5065   0.5423   0.346    325354.   17504.0   0.0249  1.204   3.082  1.547   0.235
     135   0.5065   0.5422   0.347    325381.   17505.5   0.0250  1.206   3.083  1.547   0.235
     136   0.5065   0.5423   0.347    325378.   17505.8   0.0249  1.204   3.083  1.547   0.235
     137   0.5064   0.5423   0.347    325367.   17505.6   0.0249  1.203   3.083  1.547   0.235
     138   0.5064   0.5422   0.347    325321.   17503.1   0.0249  1.202   3.083  1.547   0.235
     139   0.5063   0.5423   0.347    325268.   17500.5   0.0249  1.203   3.083  1.548   0.235
     140   0.5063   0.5423   0.347    325272.   17501.0   0.0249  1.202   3.084  1.548   0.235
     141   0.5063   0.5424   0.347    325271.   17500.7   0.0249  1.203   3.083  1.548   0.235
     142   0.5062   0.5425   0.347    325326.   17504.0   0.0249  1.202   3.084  1.548   0.235
     143   0.5062   0.5425   0.347    325311.   17503.1   0.0249  1.202   3.082  1.548   0.235
     144   0.5062   0.5425   0.347    325299.   17502.6   0.0249  1.201   3.082  1.548   0.235
     145   0.5062   0.5425   0.346    325299.   17501.9   0.0249  1.201   3.082  1.548   0.235
     146   0.5059   0.5425   0.349    325214.   17498.1   0.0250  1.209   3.086  1.550   0.235
     147   0.5059   0.5424   0.349    325234.   17499.1   0.0250  1.205   3.086  1.550   0.235
     148   0.5059   0.5424   0.349    325251.   17500.2   0.0249  1.205   3.085  1.550   0.235
     149   0.5059   0.5424   0.349    325255.   17500.4   0.0249  1.204   3.085  1.550   0.235
     150   0.5058   0.5424   0.349    325259.   17501.0   0.0249  1.203   3.085  1.550   0.235
     151   0.5058   0.5425   0.349    325249.   17500.7   0.0249  1.202   3.085  1.550   0.235
     152   0.5058   0.5425   0.349    325242.   17500.4   0.0249  1.202   3.085  1.550   0.235
     153   0.5058   0.5424   0.349    325246.   17500.8   0.0249  1.202   3.085  1.550   0.236
     154   0.5058   0.5424   0.349    325245.   17501.0   0.0249  1.201   3.085  1.550   0.236
     155   0.5057   0.5425   0.349    325258.   17501.5   0.0249  1.201   3.085  1.551   0.236
     156   0.5056   0.5425   0.349    325259.   17501.9   0.0249  1.202   3.084  1.551   0.236
     157   0.5056   0.5425   0.349    325252.   17501.4   0.0249  1.200   3.084  1.551   0.236
     158   0.5055   0.5425   0.349    325223.   17499.0   0.0249  1.201   3.084  1.551   0.236
     159   0.5054   0.5426   0.349    325085.   17492.1   0.0250  1.207   3.089  1.554   0.237
     160   0.5054   0.5426   0.349    325055.   17490.5   0.0250  1.208   3.090  1.554   0.237
     161   0.5053   0.5427   0.349    325034.   17489.5   0.0251  1.209   3.092  1.556   0.237
     162   0.5052   0.5427   0.349    325056.   17491.1   0.0251  1.210   3.094  1.557   0.237
     163   0.5052   0.5427   0.349    325061.   17491.5   0.0251  1.209   3.095  1.558   0.238
     164   0.5052   0.5427   0.349    325085.   17493.0   0.0251  1.209   3.096  1.558   0.238
     165   0.5052   0.5428   0.350    325145.   17496.6   0.0251  1.208   3.096  1.559   0.238
     166   0.5051   0.5426   0.350    325123.   17495.9   0.0250  1.206   3.096  1.559   0.238
     167   0.5050   0.5425   0.350    325134.   17496.7   0.0250  1.205   3.096  1.559   0.238
     168   0.5050   0.5425   0.350    325138.   17497.1   0.0250  1.205   3.096  1.560   0.238
     169   0.5050   0.5425   0.350    325163.   17498.7   0.0250  1.204   3.096  1.560   0.239
     170   0.5050   0.5424   0.350    325145.   17497.7   0.0250  1.203   3.096  1.560   0.239
     171   0.5049   0.5425   0.351    325207.   17501.5   0.0250  1.203   3.097  1.560   0.239
     172   0.5050   0.5426   0.351    325224.   17502.7   0.0249  1.201   3.096  1.560   0.239
     173   0.5049   0.5426   0.351    325247.   17503.9   0.0249  1.201   3.096  1.560   0.239
     174   0.5049   0.5426   0.351    325243.   17503.8   0.0249  1.201   3.096  1.560   0.239
     175   0.5049   0.5426   0.351    325234.   17503.4   0.0249  1.199   3.095  1.560   0.239
     176   0.5049   0.5426   0.351    325232.   17503.2   0.0249  1.200   3.095  1.560   0.239
     177   0.5049   0.5427   0.351    325234.   17503.4   0.0249  1.199   3.095  1.560   0.239
     178   0.5049   0.5426   0.351    325234.   17503.4   0.0249  1.199   3.095  1.560   0.239
     179   0.5049   0.5426   0.351    325225.   17502.8   0.0249  1.199   3.095  1.560   0.239
     180   0.5048   0.5427   0.351    325214.   17502.3   0.0249  1.199   3.095  1.560   0.239
     181   0.5048   0.5427   0.351    325217.   17502.6   0.0249  1.198   3.095  1.560   0.240
     182   0.5048   0.5427   0.351    325221.   17502.8   0.0249  1.198   3.095  1.560   0.240
     183   0.5048   0.5427   0.351    325221.   17502.7   0.0249  1.198   3.095  1.560   0.240
     184   0.5048   0.5427   0.351    325224.   17502.9   0.0249  1.198   3.095  1.560   0.240
     185   0.5048   0.5427   0.350    325230.   17502.7   0.0249  1.198   3.095  1.560   0.240
     186   0.5048   0.5427   0.350    325221.   17502.2   0.0249  1.198   3.095  1.560   0.240
     187   0.5047   0.5426   0.350    325202.   17501.1   0.0249  1.198   3.095  1.560   0.240
     188   0.5048   0.5426   0.350    325196.   17500.7   0.0249  1.196   3.094  1.560   0.240
     189   0.5047   0.5426   0.350    325188.   17499.4   0.0249  1.196   3.094  1.561   0.240
     190   0.5046   0.5426   0.350    325173.   17498.7   0.0249  1.198   3.095  1.561   0.240
     191   0.5046   0.5426   0.350    325154.   17497.8   0.0249  1.198   3.096  1.561   0.240
     192   0.5045   0.5426   0.350    325147.   17497.6   0.0249  1.201   3.099  1.563   0.241
     193   0.5045   0.5426   0.350    325156.   17497.9   0.0249  1.200   3.099  1.563   0.241
     194   0.5044   0.5427   0.350    325153.   17498.0   0.0249  1.200   3.100  1.564   0.241
     195   0.5044   0.5426   0.350    325156.   17498.1   0.0249  1.200   3.100  1.564   0.241
     196   0.5044   0.5425   0.350    325170.   17498.8   0.0249  1.199   3.101  1.564   0.241
     197   0.5044   0.5426   0.350    325216.   17501.3   0.0249  1.199   3.101  1.565   0.242
     198   0.5044   0.5425   0.350    325230.   17502.0   0.0249  1.198   3.101  1.565   0.242
     199   0.5044   0.5424   0.350    325241.   17502.6   0.0249  1.197   3.101  1.565   0.242
     200   0.5044   0.5423   0.350    325242.   17502.6   0.0249  1.197   3.101  1.565   0.242
     201   0.5044   0.5422   0.350    325252.   17503.1   0.0248  1.196   3.101  1.565   0.242
     202   0.5044   0.5421   0.350    325253.   17503.1   0.0248  1.196   3.101  1.565   0.242
     203   0.5044   0.5421   0.350    325255.   17503.1   0.0248  1.196   3.101  1.565   0.242
     204   0.5044   0.5421   0.350    325254.   17502.9   0.0248  1.195   3.101  1.565   0.242
     205   0.5044   0.5421   0.350    325253.   17502.9   0.0248  1.195   3.101  1.565   0.242
     206   0.5044   0.5421   0.350    325252.   17502.8   0.0248  1.195   3.101  1.565   0.242
     207   0.5044   0.5420   0.351    325282.   17505.0   0.0248  1.195   3.101  1.565   0.242
     208   0.5044   0.5420   0.351    325303.   17505.5   0.0248  1.194   3.101  1.565   0.242
     209   0.5044   0.5420   0.351    325308.   17505.8   0.0248  1.193   3.100  1.565   0.242
     210   0.5044   0.5421   0.351    325289.   17504.6   0.0248  1.193   3.100  1.565   0.242
     211   0.5044   0.5421   0.351    325288.   17504.5   0.0248  1.192   3.099  1.564   0.242
     212   0.5044   0.5421   0.351    325286.   17504.4   0.0248  1.192   3.099  1.564   0.242
     213   0.5044   0.5420   0.351    325293.   17504.7   0.0248  1.192   3.099  1.564   0.242
     214   0.5044   0.5420   0.351    325292.   17504.5   0.0247  1.192   3.099  1.564   0.242
     215   0.5044   0.5420   0.351    325291.   17504.5   0.0247  1.191   3.099  1.564   0.242
     216   0.5044   0.5420   0.351    325290.   17504.4   0.0247  1.191   3.099  1.564   0.242
     217   0.5044   0.5419   0.351    325288.   17504.2   0.0247  1.191   3.099  1.564   0.242
     218   0.5044   0.5419   0.351    325295.   17504.7   0.0247  1.191   3.099  1.564   0.242
     219   0.5044   0.5418   0.351    325328.   17506.4   0.0247  1.191   3.099  1.564   0.242
     220   0.5044   0.5418   0.351    325463.   17513.8   0.0247  1.190   3.098  1.564   0.242
     221   0.5044   0.5417   0.351    325482.   17514.6   0.0247  1.188   3.098  1.563   0.242
     222   0.5045   0.5416   0.351    325515.   17516.3   0.0246  1.187   3.097  1.563   0.242
     223   0.5044   0.5416   0.351    325502.   17515.6   0.0246  1.186   3.097  1.563   0.242
     224   0.5045   0.5416   0.351    325506.   17515.8   0.0246  1.186   3.097  1.563   0.242
     225   0.5045   0.5415   0.351    325489.   17514.8   0.0246  1.186   3.097  1.563   0.243
     226   0.5045   0.5415   0.351    325490.   17514.8   0.0246  1.186   3.097  1.563   0.243
     227   0.5045   0.5415   0.351    325496.   17515.0   0.0246  1.186   3.097  1.563   0.243
     228   0.5045   0.5415   0.351    325491.   17514.7   0.0246  1.186   3.097  1.563   0.243
     229   0.5045   0.5415   0.351    325497.   17515.1   0.0246  1.186   3.097  1.563   0.243
     230   0.5045   0.5413   0.351    325503.   17515.3   0.0246  1.185   3.097  1.563   0.243
     231   0.5045   0.5413   0.351    325498.   17515.0   0.0246  1.185   3.096  1.563   0.243
     232   0.5045   0.5413   0.351    325502.   17515.1   0.0246  1.185   3.096  1.563   0.243
     233   0.5045   0.5413   0.351    325497.   17514.9   0.0246  1.185   3.096  1.563   0.243
     234   0.5045   0.5413   0.351    325503.   17515.3   0.0246  1.185   3.096  1.563   0.243
     235   0.5045   0.5412   0.351    325504.   17515.3   0.0246  1.185   3.096  1.563   0.243
     236   0.5045   0.5412   0.351    325505.   17515.2   0.0246  1.185   3.096  1.563   0.243
     237   0.5045   0.5411   0.351    325505.   17515.2   0.0246  1.185   3.096  1.563   0.243
     238   0.5045   0.5411   0.351    325509.   17515.4   0.0246  1.185   3.096  1.563   0.243
     239   0.5045   0.5411   0.351    325503.   17515.2   0.0246  1.185   3.096  1.563   0.243
     240   0.5045   0.5410   0.351    325502.   17515.1   0.0246  1.185   3.096  1.563   0.243
     241   0.5045   0.5410   0.351    325497.   17514.8   0.0246  1.185   3.096  1.563   0.243
     242   0.5044   0.5409   0.351    325497.   17514.7   0.0246  1.184   3.096  1.563   0.244
     243   0.5044   0.5410   0.351    325500.   17514.9   0.0246  1.184   3.096  1.563   0.244
     244   0.5044   0.5409   0.351    325497.   17514.7   0.0246  1.184   3.096  1.563   0.244
     245   0.5044   0.5409   0.351    325496.   17514.7   0.0246  1.184   3.096  1.563   0.244
     246   0.5044   0.5408   0.351    325489.   17514.2   0.0246  1.184   3.097  1.563   0.244
     247   0.5044   0.5408   0.351    325480.   17513.8   0.0246  1.184   3.097  1.563   0.244
     248   0.5044   0.5408   0.351    325467.   17513.1   0.0246  1.184   3.097  1.563   0.244
     249   0.5044   0.5408   0.351    325455.   17512.4   0.0246  1.184   3.097  1.563   0.244
     250   0.5044   0.5408   0.351    325452.   17512.3   0.0246  1.184   3.097  1.563   0.244
     251   0.5044   0.5408   0.351    325450.   17512.1   0.0246  1.184   3.097  1.563   0.244
     252   0.5044   0.5407   0.351    325445.   17511.9   0.0246  1.184   3.097  1.563   0.244
     253   0.5044   0.5407   0.351    325444.   17511.9   0.0246  1.184   3.097  1.563   0.244
     254   0.5044   0.5406   0.351    325442.   17511.6   0.0246  1.184   3.097  1.563   0.244
     255   0.5044   0.5406   0.351    325443.   17511.8   0.0246  1.184   3.097  1.563   0.245
     256   0.5044   0.5406   0.351    325417.   17510.2   0.0246  1.184   3.098  1.563   0.245
     257   0.5044   0.5406   0.351    325407.   17509.7   0.0246  1.184   3.098  1.563   0.245
     258   0.5044   0.5406   0.351    325404.   17509.6   0.0246  1.184   3.098  1.563   0.245
     259   0.5043   0.5405   0.351    325387.   17508.6   0.0246  1.184   3.098  1.563   0.245
     260   0.5043   0.5405   0.351    325359.   17507.0   0.0246  1.184   3.098  1.563   0.245
     261   0.5043   0.5405   0.351    325321.   17504.9   0.0246  1.184   3.099  1.563   0.245
     262   0.5043   0.5404   0.351    325323.   17505.0   0.0246  1.185   3.099  1.563   0.245
     263   0.5043   0.5404   0.351    325333.   17505.5   0.0246  1.185   3.099  1.563   0.245
     264   0.5043   0.5404   0.351    325323.   17505.0   0.0246  1.185   3.099  1.564   0.245
     265   0.5043   0.5402   0.351    325333.   17505.6   0.0246  1.185   3.100  1.564   0.245
     266   0.5043   0.5402   0.351    325332.   17505.6   0.0246  1.185   3.100  1.564   0.245
     267   0.5043   0.5402   0.351    325332.   17505.5   0.0246  1.185   3.100  1.564   0.245
     268   0.5043   0.5402   0.351    325331.   17505.5   0.0246  1.185   3.100  1.564   0.245
     269   0.5042   0.5401   0.351    325338.   17505.9   0.0246  1.185   3.101  1.564   0.246
     270   0.5042   0.5401   0.351    325338.   17506.0   0.0246  1.185   3.101  1.564   0.246
     271   0.5042   0.5401   0.351    325340.   17506.0   0.0246  1.185   3.101  1.564   0.246
     272   0.5042   0.5400   0.351    325341.   17506.0   0.0246  1.185   3.101  1.564   0.246
     273   0.5042   0.5400   0.351    325338.   17505.8   0.0246  1.185   3.102  1.564   0.246
     274   0.5042   0.5400   0.351    325341.   17506.1   0.0246  1.184   3.102  1.564   0.246
     275   0.5042   0.5400   0.351    325345.   17506.2   0.0246  1.184   3.102  1.564   0.246
     276   0.5042   0.5399   0.351    325348.   17506.4   0.0246  1.184   3.102  1.564   0.246
     277   0.5042   0.5400   0.351    325346.   17506.3   0.0246  1.184   3.102  1.565   0.246
     278   0.5042   0.5400   0.351    325354.   17506.8   0.0246  1.184   3.102  1.565   0.246
     279   0.5042   0.5400   0.351    325358.   17507.0   0.0246  1.184   3.102  1.565   0.246
     280   0.5042   0.5399   0.351    325353.   17506.6   0.0246  1.184   3.103  1.565   0.246
     281   0.5042   0.5399   0.351    325352.   17506.7   0.0246  1.184   3.103  1.565   0.246
     282   0.5042   0.5399   0.351    325340.   17506.0   0.0246  1.184   3.103  1.565   0.246
     283   0.5042   0.5399   0.351    325345.   17506.2   0.0246  1.184   3.103  1.565   0.246
     284   0.5042   0.5399   0.351    325343.   17506.1   0.0246  1.184   3.103  1.565   0.246
     285   0.5042   0.5399   0.351    325343.   17506.2   0.0246  1.184   3.103  1.565   0.246
     286   0.5042   0.5398   0.351    325346.   17506.3   0.0246  1.184   3.104  1.565   0.246
     287   0.5042   0.5398   0.351    325345.   17506.2   0.0246  1.184   3.104  1.565   0.246
     288   0.5042   0.5398   0.352    325356.   17507.2   0.0246  1.184   3.104  1.565   0.246
     289   0.5042   0.5398   0.352    325353.   17507.1   0.0245  1.183   3.104  1.565   0.246
     290   0.5041   0.5398   0.352    325344.   17506.7   0.0245  1.182   3.104  1.565   0.247
     291   0.5041   0.5398   0.352    325344.   17506.7   0.0245  1.181   3.103  1.565   0.247
     292   0.5041   0.5398   0.352    325336.   17506.3   0.0245  1.181   3.103  1.565   0.247
     293   0.5041   0.5398   0.352    325337.   17506.3   0.0245  1.181   3.103  1.565   0.247
     294   0.5041   0.5398   0.352    325350.   17507.0   0.0245  1.180   3.103  1.565   0.247
     295   0.5041   0.5398   0.352    325356.   17507.4   0.0245  1.180   3.103  1.564   0.247
     296   0.5041   0.5398   0.352    325350.   17506.4   0.0245  1.179   3.103  1.564   0.247
     297   0.5041   0.5398   0.352    325347.   17506.3   0.0245  1.179   3.103  1.564   0.247
     298   0.5041   0.5398   0.352    325350.   17506.4   0.0245  1.179   3.103  1.564   0.247
     299   0.5041   0.5397   0.352    325335.   17505.2   0.0245  1.180   3.103  1.564   0.247
     300   0.5041   0.5397   0.352    325338.   17505.4   0.0245  1.180   3.103  1.564   0.247
 $$
 $TEXT:Result: $$ Final results $$
                      Initial    Final
           R factor    0.5568   0.5041
             R free    0.5527   0.5397
     Rms BondLength    0.0139   0.0245
      Rms BondAngle    1.7988   3.1034
     Rms ChirVolume    0.1573   0.2471
 $$
 Harvest: NO PNAME_KEYWRD given - no deposit file created

 Refmac_5.7.0032:  End of Refmac_5.7.0032 
Times: User:   13156.7s System:   12.5s Elapsed:   220:37