*HEADER    NEUROPEPTIDE                            02-AUG-19   6KN2              
*TITLE     STRUCTURE OF SINGLE DISULFIDE PEPTIDE CZON1107-WT (MAJOR CONFORMER)   
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: CZON1107-WT (CONFORMER A);                                 
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: CONUS ZONATUS;                                  
*SOURCE   4 ORGANISM_TAXID: 754466                                               
*KEYWDS    NACHR ANATGONIST NMR, NEUROPEPTIDE                                    
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    27                                                                    
*AUTHOR    S.P.SARMA,M.MADHAN KUMAR                                              
*REVDAT   1   08-APR-20 6KN2    0                                                
# Restraints file 1: czon1107_wt_tcc_noe.upl
  2 PHE  H       1 GLY  HA2     3.50
  2 PHE  H       2 PHE  HA      3.50
  2 PHE  H       2 PHE  HB2     5.00
  2 PHE  H       2 PHE  QD      5.00
  2 PHE  H       3 ARG  H       4.20
  2 PHE  HA      2 PHE  QE      5.00
  2 PHE  HB2     2 PHE  HA      3.50
  2 PHE  HB2     2 PHE  QE      5.00
  2 PHE  HB2     4 SER  H       5.50
  2 PHE  QD      2 PHE  HA      5.00
  2 PHE  QD      2 PHE  HB2     5.50
  2 PHE  QD      3 ARG  HA      5.50
  2 PHE  QD      3 ARG  HB3     5.50
  2 PHE  QD      3 ARG  HD2     5.50
  2 PHE  QD      3 ARG  HG2     5.50
  3 ARG  H       2 PHE  HA      2.40
  3 ARG  H       2 PHE  HB2     5.50
  3 ARG  H       2 PHE  QD      5.50
  3 ARG  H       3 ARG  HA      3.56
  3 ARG  H       3 ARG  HB2     5.00
  3 ARG  H       3 ARG  HB3     0.00
  3 ARG  H       3 ARG  HD2     5.00
  3 ARG  H       3 ARG  HG2     5.00
  3 ARG  HA      3 ARG  HB2     3.50
  3 ARG  HA      3 ARG  HB3     0.00
  3 ARG  HA      3 ARG  HD2     5.00
  3 ARG  HA      3 ARG  HG2     5.00
  3 ARG  HA      4 SER  H       2.80
  3 ARG  HB2     3 ARG  HE      5.00
  3 ARG  HB2     3 ARG  HG2     3.50
  3 ARG  HB2     4 SER  H       5.00
  3 ARG  HB3     3 ARG  HE      5.00
  3 ARG  HB3     3 ARG  HG2     3.50
  3 ARG  HB3     4 SER  H       5.00
  3 ARG  HD2     3 ARG  HB2     5.00
  3 ARG  HD2     3 ARG  HB3     5.50
  3 ARG  HD2     3 ARG  HE      3.50
  3 ARG  HD2     3 ARG  HG2     3.50
  3 ARG  HG2     3 ARG  HE      5.00
  3 ARG  HG2     4 SER  H       5.00
  4 SER  H       4 SER  HB2     5.00
  4 SER  H       4 SER  HB3     0.00
  4 SER  HA      4 SER  H       3.50
  4 SER  HA      4 SER  HB2     3.50
  4 SER  HA      4 SER  HB3     0.00
  4 SER  HB2     2 PHE  QE      6.00
  5 PRO  HD2     4 SER  HA      5.00
  5 PRO  HD3     4 SER  HA      5.50
  6 CYS  H       4 SER  HB2     6.00
  6 CYS  H       5 PRO  HA      3.40  
  6 CYS  H       5 PRO  HB2     5.00
  6 CYS  H       5 PRO  HB3     5.50
  6 CYS  H       5 PRO  HD2     5.50
  6 CYS  H       5 PRO  HD3     0.00
  6 CYS  H       6 CYS  HA      3.50
  6 CYS  HA      7 PRO  HB2     5.00
  6 CYS  HB2     5 PRO  HB2     5.00
  6 CYS  HB2     5 PRO  HB3     0.00
  6 CYS  HB2     5 PRO  HG2     3.50
  6 CYS  HB2     6 CYS  H       5.00
  6 CYS  HB2     6 CYS  HA      3.50
  6 CYS  HB3     6 CYS  H       5.00
  6 CYS  HB3     6 CYS  HA      3.50
  8 PRO  HA      7 PRO  HB2     5.00
  8 PRO  HA      9 PHE  HA      5.00
  8 PRO  HB2     9 PHE  QD      5.50
  8 PRO  HD2     5 PRO  HB2     5.50
  8 PRO  HD2     9 PHE  QD      5.50
  8 PRO  HD3     3 ARG  HE      5.50
  8 PRO  HD3     5 PRO  HB2     5.50
  8 PRO  HD3     9 PHE  QD      5.50
  8 PRO  HD3     9 PHE  QE      5.50
  8 PRO  HG2     9 PHE  QD      5.50
  8 PRO  HG2     9 PHE  QE      5.50
  8 PRO  HG3     9 PHE  QD      5.50
  9 PHE  H       8 PRO  HA      3.80  
  9 PHE  H       8 PRO  HB2     5.50
  9 PHE  H       8 PRO  HD2     5.50
  9 PHE  H       8 PRO  HD3     5.50
  9 PHE  H       8 PRO  HG2     5.50
  9 PHE  H       9 PHE  HA      3.50
  9 PHE  H       9 PHE  QD      5.00
  9 PHE  HB2     5 PRO  HB3     0.00 
  9 PHE  HB2     9 PHE  H       5.00
  9 PHE  HB2     9 PHE  HA      3.50
  9 PHE  HB2     9 PHE  QD      5.00
  9 PHE  HB3     5 PRO  HB2     6.00 
  9 PHE  HB3     5 PRO  HB3     0.00
  9 PHE  HB3     9 PHE  H       5.00
  9 PHE  HB3     9 PHE  HA      3.50
  9 PHE  HB3     9 PHE  QD      5.00
  9 PHE  QD      5 PRO  HB2     5.50
  9 PHE  QD      5 PRO  HB3     5.50
  9 PHE  QD      5 PRO  HD2     6.50
  9 PHE  QD      9 PHE  HA      5.00
 10 CYS  H       6 CYS  HA      5.00
 10 CYS  H       9 PHE  H       5.00
 10 CYS  H       9 PHE  HA      3.50
 10 CYS  H      10 CYS  HA      3.50
 10 CYS  H      10 CYS  HB2     5.00
 10 CYS  H      10 CYS  HB3     5.00
 10 CYS  H      11 NH2  HN1     5.00
 10 CYS  H      11 NH2  HN2     5.00
 10 CYS  HB2    10 CYS  HA      3.50
 10 CYS  HB3    10 CYS  HA      3.50
 11 NH2  HN1    10 CYS  HB3     5.00
 11 NH2  HN1    11 NH2  HN2     3.50
 11 NH2  HN1    10 CYS  HB2     5.00
 11 NH2  HN2    10 CYS  HB2     6.00  
  6 CYS  SG     10 CYS  SG      2.05  
  6 CYS  SG     10 CYS  CB      3.05  
  6 CYS  CB     10 CYS  SG      3.05    
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   GLY   1           HT1      GLY   1  -1.523   4.257   1.666
    2    H2   GLY   1           HT2      GLY   1  -1.788   2.606   1.909
    3    H3   GLY   1           HT3      GLY   1  -2.358   3.357   0.504
    4    HA2  GLY   1           HA1      GLY   1   0.482   2.991   1.240
    5    HA3  GLY   1           HA2      GLY   1  -0.398   2.074   0.024
    6    H    PHE   2           HN       PHE   2   1.982   3.902  -0.137
    7    HA   PHE   2           HA       PHE   2   1.041   5.396  -2.426
    8    HB2  PHE   2           HB2      PHE   2   0.939   6.927  -0.453
    9    HB3  PHE   2           HB1      PHE   2   2.655   6.613  -0.194
   10    HD1  PHE   2           HD1      PHE   2   0.211   8.190  -2.414
   11    HD2  PHE   2           HD2      PHE   2   4.305   7.633  -1.482
   12    HE1  PHE   2           HE1      PHE   2   0.791  10.037  -3.932
   13    HE2  PHE   2           HE2      PHE   2   4.911   9.494  -2.995
   14    HZ   PHE   2           HZ       PHE   2   3.146  10.692  -4.222
   15    H    ARG   3           HN       ARG   3   2.512   5.223  -4.059
   16    HA   ARG   3           HA       ARG   3   5.030   3.963  -3.533
   17    HB2  ARG   3           HB2      ARG   3   3.674   3.381  -5.452
   18    HB3  ARG   3           HB1      ARG   3   3.719   5.056  -5.982
   19    HG2  ARG   3           HG2      ARG   3   6.145   4.878  -6.282
   20    HG3  ARG   3           HG1      ARG   3   6.055   3.174  -5.826
   21    HD2  ARG   3           HD2      ARG   3   4.674   2.676  -7.682
   22    HD3  ARG   3           HD1      ARG   3   4.484   4.387  -8.063
   23    HE   ARG   3           HE       ARG   3   7.217   3.707  -8.114
   24   HH11  ARG   3          HH11      ARG   3   4.289   3.166  -9.972
   25   HH12  ARG   3          HH12      ARG   3   5.121   3.029 -11.481
   26   HH21  ARG   3          HH21      ARG   3   8.323   3.519 -10.120
   27   HH22  ARG   3          HH22      ARG   3   7.421   3.229 -11.565
   28    H    SER   4           HN       SER   4   6.336   5.386  -2.495
   29    HA   SER   4           HA       SER   4   6.493   8.147  -3.039
   30    HB2  SER   4           HB2      SER   4   7.176   7.149  -0.892
   31    HB3  SER   4           HB1      SER   4   8.517   6.338  -1.697
   32    HG   SER   4           HG       SER   4   9.325   8.189  -0.822
   33    HA   PRO   5           HA       PRO   5   8.895   7.894  -6.811
   34    HB2  PRO   5           HB2      PRO   5   9.280  10.542  -7.094
   35    HB3  PRO   5           HB1      PRO   5   7.746   9.750  -7.496
   36    HG2  PRO   5           HG2      PRO   5   8.526  11.315  -5.068
   37    HG3  PRO   5           HG1      PRO   5   6.992  11.324  -5.955
   38    HD2  PRO   5           HD2      PRO   5   7.351   9.978  -3.630
   39    HD3  PRO   5           HD1      PRO   5   6.227   9.446  -4.898
   40    H    CYS   6           HN       CYS   6  10.356   7.407  -4.445
   41    HA   CYS   6           HA       CYS   6  12.922   8.481  -5.264
   42    HB2  CYS   6           HB2      CYS   6  12.091  10.184  -3.725
   43    HB3  CYS   6           HB1      CYS   6  11.818   8.960  -2.490
   44    HA   PRO   7           HA       PRO   7  14.129   7.223  -6.314
   45    HB2  PRO   7           HB2      PRO   7  14.310   4.876  -7.657
   46    HB3  PRO   7           HB1      PRO   7  15.549   5.404  -6.513
   47    HG2  PRO   7           HG2      PRO   7  13.277   3.498  -6.089
   48    HG3  PRO   7           HG1      PRO   7  14.980   3.319  -5.628
   49    HD2  PRO   7           HD2      PRO   7  13.105   4.082  -3.861
   50    HD3  PRO   7           HD1      PRO   7  14.764   4.712  -3.799
   51    HA   PRO   8           HA       PRO   8  14.502   6.824  -8.477
   52    HB2  PRO   8           HB2      PRO   8  14.067   7.074 -11.014
   53    HB3  PRO   8           HB1      PRO   8  13.647   5.523 -10.262
   54    HG2  PRO   8           HG2      PRO   8  11.846   7.796 -11.026
   55    HG3  PRO   8           HG1      PRO   8  11.569   6.071 -11.257
   56    HD2  PRO   8           HD2      PRO   8  10.645   7.637  -9.100
   57    HD3  PRO   8           HD1      PRO   8  10.656   5.872  -9.157
   58    H    PHE   9           HN       PHE   9  12.744   9.076  -7.353
   59    HA   PHE   9           HA       PHE   9  14.063  11.048  -9.019
   60    HB2  PHE   9           HB2      PHE   9  11.317  11.502  -7.807
   61    HB3  PHE   9           HB1      PHE   9  12.219  12.661  -8.770
   62    HD1  PHE   9           HD1      PHE   9   9.460  10.784  -8.938
   63    HD2  PHE   9           HD2      PHE   9  13.112  11.253 -11.082
   64    HE1  PHE   9           HE1      PHE   9   8.394   9.865 -10.953
   65    HE2  PHE   9           HE2      PHE   9  12.042  10.342 -13.102
   66    HZ   PHE   9           HZ       PHE   9   9.685   9.646 -13.038
   67    H    CYS  10           HN       CYS  10  15.699  10.803  -7.409
   68    HA   CYS  10           HA       CYS  10  15.437  12.938  -5.460
   69    HB2  CYS  10           HB2      CYS  10  16.002  10.099  -4.754
   70    HB3  CYS  10           HB1      CYS  10  16.892  11.351  -3.895
   71    HN1  NH2  11           H1       CYS  10  16.740  14.128  -6.804
   72    HN2  NH2  11           H2       CYS  10  18.427  13.802  -7.000
  Start of MODEL    2
    1    H1   GLY   1           HT1      GLY   1   2.817  -2.357   0.087
    2    H2   GLY   1           HT2      GLY   1   4.198  -3.249   0.466
    3    H3   GLY   1           HT3      GLY   1   4.021  -2.571  -1.076
    4    HA2  GLY   1           HA1      GLY   1   4.296  -1.054   1.448
    5    HA3  GLY   1           HA2      GLY   1   5.563  -1.281   0.248
    6    H    PHE   2           HN       PHE   2   5.175   1.232   0.693
    7    HA   PHE   2           HA       PHE   2   3.205   2.234  -1.198
    8    HB2  PHE   2           HB2      PHE   2   3.442   3.153   1.163
    9    HB3  PHE   2           HB1      PHE   2   4.999   3.796   0.654
   10    HD1  PHE   2           HD1      PHE   2   1.417   4.121   0.466
   11    HD2  PHE   2           HD2      PHE   2   5.121   5.588  -0.995
   12    HE1  PHE   2           HE1      PHE   2   0.273   6.127  -0.391
   13    HE2  PHE   2           HE2      PHE   2   3.992   7.598  -1.856
   14    HZ   PHE   2           HZ       PHE   2   1.563   7.869  -1.552
   15    H    ARG   3           HN       ARG   3   3.884   2.794  -3.228
   16    HA   ARG   3           HA       ARG   3   6.693   2.853  -3.776
   17    HB2  ARG   3           HB2      ARG   3   5.032   1.833  -5.253
   18    HB3  ARG   3           HB1      ARG   3   4.320   3.425  -5.484
   19    HG2  ARG   3           HG2      ARG   3   6.439   4.198  -6.458
   20    HG3  ARG   3           HG1      ARG   3   7.076   2.556  -6.310
   21    HD2  ARG   3           HD2      ARG   3   5.251   1.743  -7.695
   22    HD3  ARG   3           HD1      ARG   3   4.657   3.392  -7.866
   23    HE   ARG   3           HE       ARG   3   7.407   2.968  -8.697
   24   HH11  ARG   3          HH11      ARG   3   4.056   3.157  -9.722
   25   HH12  ARG   3          HH12      ARG   3   4.450   3.420 -11.385
   26   HH21  ARG   3          HH21      ARG   3   7.917   3.328 -10.896
   27   HH22  ARG   3          HH22      ARG   3   6.644   3.528 -12.052
   28    H    SER   4           HN       SER   4   7.504   4.658  -2.805
   29    HA   SER   4           HA       SER   4   6.374   7.260  -3.440
   30    HB2  SER   4           HB2      SER   4   7.236   6.751  -1.138
   31    HB3  SER   4           HB1      SER   4   8.849   6.564  -1.823
   32    HG   SER   4           HG       SER   4   7.309   8.868  -1.444
   33    HA   PRO   5           HA       PRO   5   9.031   7.767  -7.001
   34    HB2  PRO   5           HB2      PRO   5   9.092  10.480  -7.081
   35    HB3  PRO   5           HB1      PRO   5   7.717   9.517  -7.651
   36    HG2  PRO   5           HG2      PRO   5   8.103  10.963  -5.058
   37    HG3  PRO   5           HG1      PRO   5   6.650  10.853  -6.069
   38    HD2  PRO   5           HD2      PRO   5   6.966   9.372  -3.840
   39    HD3  PRO   5           HD1      PRO   5   6.101   8.767  -5.268
   40    H    CYS   6           HN       CYS   6  10.448   7.285  -4.631
   41    HA   CYS   6           HA       CYS   6  12.932   8.597  -5.244
   42    HB2  CYS   6           HB2      CYS   6  11.900  10.239  -3.753
   43    HB3  CYS   6           HB1      CYS   6  11.610   8.992  -2.547
   44    HA   PRO   7           HA       PRO   7  14.127   7.340  -6.331
   45    HB2  PRO   7           HB2      PRO   7  14.449   4.984  -7.630
   46    HB3  PRO   7           HB1      PRO   7  15.655   5.609  -6.500
   47    HG2  PRO   7           HG2      PRO   7  13.515   3.563  -6.044
   48    HG3  PRO   7           HG1      PRO   7  15.225   3.517  -5.571
   49    HD2  PRO   7           HD2      PRO   7  13.267   4.185  -3.836
   50    HD3  PRO   7           HD1      PRO   7  14.890   4.898  -3.753
   51    HA   PRO   8           HA       PRO   8  14.513   6.851  -8.529
   52    HB2  PRO   8           HB2      PRO   8  14.020   7.116 -11.049
   53    HB3  PRO   8           HB1      PRO   8  13.643   5.550 -10.307
   54    HG2  PRO   8           HG2      PRO   8  11.784   7.818 -10.966
   55    HG3  PRO   8           HG1      PRO   8  11.546   6.097 -11.278
   56    HD2  PRO   8           HD2      PRO   8  10.588   7.502  -9.049
   57    HD3  PRO   8           HD1      PRO   8  10.724   5.746  -9.154
   58    H    PHE   9           HN       PHE   9  12.726   9.058  -7.344
   59    HA   PHE   9           HA       PHE   9  13.999  11.065  -9.003
   60    HB2  PHE   9           HB2      PHE   9  11.244  11.429  -7.786
   61    HB3  PHE   9           HB1      PHE   9  12.122  12.648  -8.698
   62    HD1  PHE   9           HD1      PHE   9   9.444  10.642  -8.956
   63    HD2  PHE   9           HD2      PHE   9  13.077  11.397 -11.038
   64    HE1  PHE   9           HE1      PHE   9   8.447   9.747 -11.019
   65    HE2  PHE   9           HE2      PHE   9  12.083  10.513 -13.105
   66    HZ   PHE   9           HZ       PHE   9   9.769   9.685 -13.098
   67    H    CYS  10           HN       CYS  10  15.643  10.842  -7.451
   68    HA   CYS  10           HA       CYS  10  15.505  12.934  -5.478
   69    HB2  CYS  10           HB2      CYS  10  15.769  10.060  -4.704
   70    HB3  CYS  10           HB1      CYS  10  16.716  11.252  -3.825
   71    HN1  NH2  11           H1       CYS  10  17.003  13.957  -6.743
   72    HN2  NH2  11           H2       CYS  10  18.635  13.413  -6.910
  Start of MODEL    3
    1    H1   GLY   1           HT1      GLY   1   2.506  -2.277  -0.601
    2    H2   GLY   1           HT2      GLY   1   3.857  -3.234  -0.251
    3    H3   GLY   1           HT3      GLY   1   3.671  -2.566  -1.791
    4    HA2  GLY   1           HA1      GLY   1   4.101  -1.053   0.714
    5    HA3  GLY   1           HA2      GLY   1   5.313  -1.351  -0.524
    6    H    PHE   2           HN       PHE   2   4.728   1.218   0.246
    7    HA   PHE   2           HA       PHE   2   2.865   2.328  -1.666
    8    HB2  PHE   2           HB2      PHE   2   3.130   3.143   0.727
    9    HB3  PHE   2           HB1      PHE   2   4.705   3.763   0.245
   10    HD1  PHE   2           HD1      PHE   2   1.107   4.147  -0.060
   11    HD2  PHE   2           HD2      PHE   2   4.902   5.701  -1.167
   12    HE1  PHE   2           HE1      PHE   2   0.024   6.230  -0.814
   13    HE2  PHE   2           HE2      PHE   2   3.837   7.790  -1.923
   14    HZ   PHE   2           HZ       PHE   2   1.391   8.054  -1.746
   15    H    ARG   3           HN       ARG   3   3.494   3.142  -3.618
   16    HA   ARG   3           HA       ARG   3   6.268   3.052  -4.306
   17    HB2  ARG   3           HB2      ARG   3   4.495   2.285  -5.783
   18    HB3  ARG   3           HB1      ARG   3   3.829   3.911  -5.789
   19    HG2  ARG   3           HG2      ARG   3   5.826   4.748  -6.883
   20    HG3  ARG   3           HG1      ARG   3   6.527   3.124  -6.860
   21    HD2  ARG   3           HD2      ARG   3   4.745   2.299  -8.227
   22    HD3  ARG   3           HD1      ARG   3   3.942   3.863  -8.178
   23    HE   ARG   3           HE       ARG   3   6.305   4.526  -9.242
   24   HH11  ARG   3          HH11      ARG   3   4.148   1.869 -10.030
   25   HH12  ARG   3          HH12      ARG   3   4.556   1.862 -11.710
   26   HH21  ARG   3          HH21      ARG   3   6.839   4.520 -11.474
   27   HH22  ARG   3          HH22      ARG   3   6.087   3.380 -12.534
   28    H    SER   4           HN       SER   4   7.248   4.677  -3.193
   29    HA   SER   4           HA       SER   4   6.319   7.415  -3.519
   30    HB2  SER   4           HB2      SER   4   7.153   6.588  -1.300
   31    HB3  SER   4           HB1      SER   4   8.740   6.347  -2.027
   32    HG   SER   4           HG       SER   4   8.718   8.329  -1.020
   33    HA   PRO   5           HA       PRO   5   9.012   8.027  -7.015
   34    HB2  PRO   5           HB2      PRO   5   9.234  10.713  -6.940
   35    HB3  PRO   5           HB1      PRO   5   7.776   9.878  -7.504
   36    HG2  PRO   5           HG2      PRO   5   8.352  11.151  -4.856
   37    HG3  PRO   5           HG1      PRO   5   6.857  11.189  -5.810
   38    HD2  PRO   5           HD2      PRO   5   7.204   9.555  -3.673
   39    HD3  PRO   5           HD1      PRO   5   6.179   9.130  -5.057
   40    H    CYS   6           HN       CYS   6  10.388   7.343  -4.603
   41    HA   CYS   6           HA       CYS   6  12.961   8.458  -5.251
   42    HB2  CYS   6           HB2      CYS   6  12.012  10.143  -3.694
   43    HB3  CYS   6           HB1      CYS   6  11.841   8.888  -2.472
   44    HA   PRO   7           HA       PRO   7  14.115   7.191  -6.296
   45    HB2  PRO   7           HB2      PRO   7  14.319   4.865  -7.653
   46    HB3  PRO   7           HB1      PRO   7  15.539   5.371  -6.476
   47    HG2  PRO   7           HG2      PRO   7  13.245   3.471  -6.129
   48    HG3  PRO   7           HG1      PRO   7  14.938   3.277  -5.637
   49    HD2  PRO   7           HD2      PRO   7  13.021   4.033  -3.899
   50    HD3  PRO   7           HD1      PRO   7  14.688   4.635  -3.787
   51    HA   PRO   8           HA       PRO   8  14.497   6.837  -8.429
   52    HB2  PRO   8           HB2      PRO   8  14.072   7.089 -10.975
   53    HB3  PRO   8           HB1      PRO   8  13.709   5.527 -10.222
   54    HG2  PRO   8           HG2      PRO   8  11.831   7.696 -11.066
   55    HG3  PRO   8           HG1      PRO   8  11.608   5.953 -11.182
   56    HD2  PRO   8           HD2      PRO   8  10.688   7.667  -9.110
   57    HD3  PRO   8           HD1      PRO   8  10.620   5.907  -9.106
   58    H    PHE   9           HN       PHE   9  12.740   9.101  -7.316
   59    HA   PHE   9           HA       PHE   9  14.054  11.047  -9.019
   60    HB2  PHE   9           HB2      PHE   9  11.324  11.543  -7.796
   61    HB3  PHE   9           HB1      PHE   9  12.221  12.663  -8.810
   62    HD1  PHE   9           HD1      PHE   9   9.494  10.692  -8.850
   63    HD2  PHE   9           HD2      PHE   9  13.064  11.268 -11.093
   64    HE1  PHE   9           HE1      PHE   9   8.424   9.673 -10.816
   65    HE2  PHE   9           HE2      PHE   9  11.993  10.268 -13.069
   66    HZ   PHE   9           HZ       PHE   9   9.671   9.465 -12.930
   67    H    CYS  10           HN       CYS  10  15.704  10.812  -7.400
   68    HA   CYS  10           HA       CYS  10  15.477  13.019  -5.520
   69    HB2  CYS  10           HB2      CYS  10  16.071  10.198  -4.703
   70    HB3  CYS  10           HB1      CYS  10  16.821  11.531  -3.834
   71    HN1  NH2  11           H1       CYS  10  16.900  14.236  -6.612
   72    HN2  NH2  11           H2       CYS  10  18.547  13.803  -6.900
  Start of MODEL    4
    1    H1   GLY   1           HT1      GLY   1   0.165   2.853   2.092
    2    H2   GLY   1           HT2      GLY   1  -0.426   1.277   1.922
    3    H3   GLY   1           HT3      GLY   1  -1.261   2.574   1.231
    4    HA2  GLY   1           HA1      GLY   1   1.446   1.676   0.454
    5    HA3  GLY   1           HA2      GLY   1  -0.033   1.318  -0.427
    6    H    PHE   2           HN       PHE   2   2.492   3.543   0.055
    7    HA   PHE   2           HA       PHE   2   1.225   5.383  -1.825
    8    HB2  PHE   2           HB2      PHE   2   1.313   6.336   0.472
    9    HB3  PHE   2           HB1      PHE   2   3.057   6.092   0.466
   10    HD1  PHE   2           HD1      PHE   2   0.318   8.158  -0.680
   11    HD2  PHE   2           HD2      PHE   2   4.485   7.420  -0.975
   12    HE1  PHE   2           HE1      PHE   2   0.630  10.389  -1.680
   13    HE2  PHE   2           HE2      PHE   2   4.823   9.648  -1.972
   14    HZ   PHE   2           HZ       PHE   2   2.887  11.138  -2.326
   15    H    ARG   3           HN       ARG   3   2.411   5.606  -3.652
   16    HA   ARG   3           HA       ARG   3   5.033   4.454  -3.763
   17    HB2  ARG   3           HB2      ARG   3   3.394   4.143  -5.507
   18    HB3  ARG   3           HB1      ARG   3   3.330   5.885  -5.739
   19    HG2  ARG   3           HG2      ARG   3   5.717   5.830  -6.382
   20    HG3  ARG   3           HG1      ARG   3   5.646   4.065  -6.306
   21    HD2  ARG   3           HD2      ARG   3   3.955   4.013  -7.985
   22    HD3  ARG   3           HD1      ARG   3   3.851   5.773  -7.986
   23    HE   ARG   3           HE       ARG   3   6.451   4.650  -8.618
   24   HH11  ARG   3          HH11      ARG   3   3.429   5.911  -9.903
   25   HH12  ARG   3          HH12      ARG   3   4.107   6.327 -11.434
   26   HH21  ARG   3          HH21      ARG   3   7.345   5.203 -10.658
   27   HH22  ARG   3          HH22      ARG   3   6.340   5.919 -11.868
   28    H    SER   4           HN       SER   4   6.309   5.836  -2.521
   29    HA   SER   4           HA       SER   4   6.452   8.639  -3.043
   30    HB2  SER   4           HB2      SER   4   8.410   6.841  -1.596
   31    HB3  SER   4           HB1      SER   4   8.386   8.603  -1.536
   32    HG   SER   4           HG       SER   4   6.675   8.565  -0.275
   33    HA   PRO   5           HA       PRO   5   8.975   8.200  -6.704
   34    HB2  PRO   5           HB2      PRO   5   9.512  10.817  -7.051
   35    HB3  PRO   5           HB1      PRO   5   7.955  10.089  -7.481
   36    HG2  PRO   5           HG2      PRO   5   8.722  11.697  -5.078
   37    HG3  PRO   5           HG1      PRO   5   7.219  11.737  -6.014
   38    HD2  PRO   5           HD2      PRO   5   7.462  10.450  -3.630
   39    HD3  PRO   5           HD1      PRO   5   6.336   9.940  -4.906
   40    H    CYS   6           HN       CYS   6  10.426   7.430  -4.616
   41    HA   CYS   6           HA       CYS   6  13.034   8.403  -5.262
   42    HB2  CYS   6           HB2      CYS   6  12.226  10.138  -3.681
   43    HB3  CYS   6           HB1      CYS   6  12.017   8.889  -2.458
   44    HA   PRO   7           HA       PRO   7  14.111   7.086  -6.291
   45    HB2  PRO   7           HB2      PRO   7  14.183   4.764  -7.676
   46    HB3  PRO   7           HB1      PRO   7  15.427   5.192  -6.494
   47    HG2  PRO   7           HG2      PRO   7  13.046   3.404  -6.173
   48    HG3  PRO   7           HG1      PRO   7  14.722   3.134  -5.658
   49    HD2  PRO   7           HD2      PRO   7  12.798   3.976  -3.954
   50    HD3  PRO   7           HD1      PRO   7  14.497   4.466  -3.792
   51    HA   PRO   8           HA       PRO   8  14.502   6.811  -8.364
   52    HB2  PRO   8           HB2      PRO   8  14.179   7.040 -10.927
   53    HB3  PRO   8           HB1      PRO   8  13.721   5.500 -10.180
   54    HG2  PRO   8           HG2      PRO   8  11.974   7.745 -11.100
   55    HG3  PRO   8           HG1      PRO   8  11.669   6.017 -11.221
   56    HD2  PRO   8           HD2      PRO   8  10.769   7.786  -9.179
   57    HD3  PRO   8           HD1      PRO   8  10.610   6.030  -9.178
   58    H    PHE   9           HN       PHE   9  12.739   9.089  -7.322
   59    HA   PHE   9           HA       PHE   9  14.075  11.030  -9.008
   60    HB2  PHE   9           HB2      PHE   9  11.325  11.478  -7.817
   61    HB3  PHE   9           HB1      PHE   9  12.226  12.650  -8.763
   62    HD1  PHE   9           HD1      PHE   9   9.470  10.834  -9.005
   63    HD2  PHE   9           HD2      PHE   9  13.202  11.166 -11.032
   64    HE1  PHE   9           HE1      PHE   9   8.452   9.893 -11.037
   65    HE2  PHE   9           HE2      PHE   9  12.182  10.237 -13.067
   66    HZ   PHE   9           HZ       PHE   9   9.807   9.596 -13.071
   67    H    CYS  10           HN       CYS  10  15.709  10.816  -7.393
   68    HA   CYS  10           HA       CYS  10  15.411  12.971  -5.461
   69    HB2  CYS  10           HB2      CYS  10  16.163  10.164  -4.794
   70    HB3  CYS  10           HB1      CYS  10  16.994  11.465  -3.949
   71    HN1  NH2  11           H1       CYS  10  16.636  14.295  -6.667
   72    HN2  NH2  11           H2       CYS  10  18.299  14.013  -7.045
  Start of MODEL    5
    1    H1   GLY   1           HT1      GLY   1   2.670  -1.362   1.138
    2    H2   GLY   1           HT2      GLY   1   3.052  -2.957   0.719
    3    H3   GLY   1           HT3      GLY   1   1.734  -2.189  -0.005
    4    HA2  GLY   1           HA1      GLY   1   4.578  -1.453  -0.335
    5    HA3  GLY   1           HA2      GLY   1   3.585  -2.290  -1.519
    6    H    PHE   2           HN       PHE   2   4.726   0.675  -0.517
    7    HA   PHE   2           HA       PHE   2   2.682   2.085  -2.064
    8    HB2  PHE   2           HB2      PHE   2   2.754   2.745   0.330
    9    HB3  PHE   2           HB1      PHE   2   4.465   3.123   0.148
   10    HD1  PHE   2           HD1      PHE   2   1.061   4.208  -0.539
   11    HD2  PHE   2           HD2      PHE   2   5.186   5.065  -1.075
   12    HE1  PHE   2           HE1      PHE   2   0.488   6.510  -1.208
   13    HE2  PHE   2           HE2      PHE   2   4.628   7.373  -1.741
   14    HZ   PHE   2           HZ       PHE   2   2.275   8.095  -1.808
   15    H    ARG   3           HN       ARG   3   3.434   3.060  -3.888
   16    HA   ARG   3           HA       ARG   3   6.232   2.870  -4.446
   17    HB2  ARG   3           HB2      ARG   3   4.556   2.286  -6.064
   18    HB3  ARG   3           HB1      ARG   3   3.897   3.913  -5.961
   19    HG2  ARG   3           HG2      ARG   3   6.014   4.799  -6.817
   20    HG3  ARG   3           HG1      ARG   3   6.602   3.145  -7.003
   21    HD2  ARG   3           HD2      ARG   3   4.913   2.638  -8.568
   22    HD3  ARG   3           HD1      ARG   3   4.089   4.166  -8.253
   23    HE   ARG   3           HE       ARG   3   6.497   4.994  -9.076
   24   HH11  ARG   3          HH11      ARG   3   4.266   2.674 -10.472
   25   HH12  ARG   3          HH12      ARG   3   4.764   2.985 -12.096
   26   HH21  ARG   3          HH21      ARG   3   7.161   5.407 -11.218
   27   HH22  ARG   3          HH22      ARG   3   6.423   4.548 -12.523
   28    H    SER   4           HN       SER   4   7.195   4.394  -3.105
   29    HA   SER   4           HA       SER   4   6.445   7.185  -3.336
   30    HB2  SER   4           HB2      SER   4   7.312   6.324  -1.181
   31    HB3  SER   4           HB1      SER   4   8.826   5.885  -1.966
   32    HG   SER   4           HG       SER   4   7.917   8.348  -1.118
   33    HA   PRO   5           HA       PRO   5   8.960   7.741  -6.993
   34    HB2  PRO   5           HB2      PRO   5   8.999  10.432  -7.026
   35    HB3  PRO   5           HB1      PRO   5   7.583   9.486  -7.517
   36    HG2  PRO   5           HG2      PRO   5   8.148  10.900  -4.939
   37    HG3  PRO   5           HG1      PRO   5   6.630  10.804  -5.850
   38    HD2  PRO   5           HD2      PRO   5   7.138   9.289  -3.661
   39    HD3  PRO   5           HD1      PRO   5   6.106   8.746  -4.999
   40    H    CYS   6           HN       CYS   6  10.403   7.295  -4.553
   41    HA   CYS   6           HA       CYS   6  12.886   8.568  -5.286
   42    HB2  CYS   6           HB2      CYS   6  11.950  10.253  -3.798
   43    HB3  CYS   6           HB1      CYS   6  11.627   9.036  -2.571
   44    HA   PRO   7           HA       PRO   7  14.123   7.332  -6.336
   45    HB2  PRO   7           HB2      PRO   7  14.443   4.976  -7.634
   46    HB3  PRO   7           HB1      PRO   7  15.651   5.601  -6.504
   47    HG2  PRO   7           HG2      PRO   7  13.501   3.564  -6.042
   48    HG3  PRO   7           HG1      PRO   7  15.211   3.505  -5.574
   49    HD2  PRO   7           HD2      PRO   7  13.270   4.187  -3.831
   50    HD3  PRO   7           HD1      PRO   7  14.895   4.899  -3.762
   51    HA   PRO   8           HA       PRO   8  14.513   6.849  -8.520
   52    HB2  PRO   8           HB2      PRO   8  14.021   7.120 -11.043
   53    HB3  PRO   8           HB1      PRO   8  13.657   5.549 -10.304
   54    HG2  PRO   8           HG2      PRO   8  11.783   7.792 -10.986
   55    HG3  PRO   8           HG1      PRO   8  11.551   6.065 -11.259
   56    HD2  PRO   8           HD2      PRO   8  10.608   7.533  -9.054
   57    HD3  PRO   8           HD1      PRO   8  10.704   5.774  -9.137
   58    H    PHE   9           HN       PHE   9  12.732   9.053  -7.335
   59    HA   PHE   9           HA       PHE   9  13.998  11.062  -8.996
   60    HB2  PHE   9           HB2      PHE   9  11.263  11.459  -7.744
   61    HB3  PHE   9           HB1      PHE   9  12.135  12.646  -8.701
   62    HD1  PHE   9           HD1      PHE   9   9.433  10.648  -8.849
   63    HD2  PHE   9           HD2      PHE   9  13.016  11.353 -11.045
   64    HE1  PHE   9           HE1      PHE   9   8.382   9.726 -10.873
   65    HE2  PHE   9           HE2      PHE   9  11.961  10.442 -13.070
   66    HZ   PHE   9           HZ       PHE   9   9.641   9.625 -12.984
   67    H    CYS  10           HN       CYS  10  15.653  10.795  -7.418
   68    HA   CYS  10           HA       CYS  10  15.498  12.930  -5.477
   69    HB2  CYS  10           HB2      CYS  10  15.837  10.066  -4.708
   70    HB3  CYS  10           HB1      CYS  10  16.778  11.272  -3.842
   71    HN1  NH2  11           H1       CYS  10  16.942  13.991  -6.789
   72    HN2  NH2  11           H2       CYS  10  18.592  13.505  -6.966
  Start of MODEL    6
    1    H1   GLY   1           HT1      GLY   1   2.932  -1.879   0.490
    2    H2   GLY   1           HT2      GLY   1   4.321  -2.622   1.105
    3    H3   GLY   1           HT3      GLY   1   4.327  -1.969  -0.455
    4    HA2  GLY   1           HA1      GLY   1   4.011  -0.416   2.044
    5    HA3  GLY   1           HA2      GLY   1   5.493  -0.544   1.108
    6    H    PHE   2           HN       PHE   2   4.819   1.928   1.428
    7    HA   PHE   2           HA       PHE   2   3.023   2.833  -0.647
    8    HB2  PHE   2           HB2      PHE   2   3.198   3.905   1.642
    9    HB3  PHE   2           HB1      PHE   2   4.812   4.442   1.179
   10    HD1  PHE   2           HD1      PHE   2   1.273   4.996   0.859
   11    HD2  PHE   2           HD2      PHE   2   5.096   6.083  -0.625
   12    HE1  PHE   2           HE1      PHE   2   0.291   7.009  -0.176
   13    HE2  PHE   2           HE2      PHE   2   4.140   8.090  -1.662
   14    HZ   PHE   2           HZ       PHE   2   1.728   8.561  -1.441
   15    H    ARG   3           HN       ARG   3   3.730   3.261  -2.679
   16    HA   ARG   3           HA       ARG   3   6.551   3.263  -3.203
   17    HB2  ARG   3           HB2      ARG   3   4.930   2.082  -4.575
   18    HB3  ARG   3           HB1      ARG   3   4.165   3.621  -4.945
   19    HG2  ARG   3           HG2      ARG   3   6.257   4.360  -6.017
   20    HG3  ARG   3           HG1      ARG   3   6.929   2.751  -5.735
   21    HD2  ARG   3           HD2      ARG   3   5.199   1.749  -7.044
   22    HD3  ARG   3           HD1      ARG   3   4.404   3.308  -7.241
   23    HE   ARG   3           HE       ARG   3   6.924   3.682  -8.247
   24   HH11  ARG   3          HH11      ARG   3   4.265   1.510  -8.957
   25   HH12  ARG   3          HH12      ARG   3   4.697   1.304 -10.616
   26   HH21  ARG   3          HH21      ARG   3   7.493   3.427 -10.470
   27   HH22  ARG   3          HH22      ARG   3   6.540   2.398 -11.474
   28    H    SER   4           HN       SER   4   7.335   5.186  -2.374
   29    HA   SER   4           HA       SER   4   6.232   7.701  -3.327
   30    HB2  SER   4           HB2      SER   4   8.605   7.101  -1.542
   31    HB3  SER   4           HB1      SER   4   8.037   8.721  -1.937
   32    HG   SER   4           HG       SER   4   7.064   6.903  -0.141
   33    HA   PRO   5           HA       PRO   5   8.903   8.005  -6.853
   34    HB2  PRO   5           HB2      PRO   5   9.284  10.684  -6.971
   35    HB3  PRO   5           HB1      PRO   5   7.788   9.885  -7.484
   36    HG2  PRO   5           HG2      PRO   5   8.422  11.308  -4.925
   37    HG3  PRO   5           HG1      PRO   5   6.933  11.352  -5.886
   38    HD2  PRO   5           HD2      PRO   5   7.165   9.874  -3.643
   39    HD3  PRO   5           HD1      PRO   5   6.170   9.366  -5.023
   40    H    CYS   6           HN       CYS   6  10.355   7.416  -4.474
   41    HA   CYS   6           HA       CYS   6  12.939   8.442  -5.272
   42    HB2  CYS   6           HB2      CYS   6  12.132  10.162  -3.708
   43    HB3  CYS   6           HB1      CYS   6  11.899   8.930  -2.473
   44    HA   PRO   7           HA       PRO   7  14.122   7.200  -6.295
   45    HB2  PRO   7           HB2      PRO   7  13.945   4.441  -7.297
   46    HB3  PRO   7           HB1      PRO   7  15.360   5.489  -7.174
   47    HG2  PRO   7           HG2      PRO   7  15.052   3.340  -5.588
   48    HG3  PRO   7           HG1      PRO   7  15.835   4.825  -5.017
   49    HD2  PRO   7           HD2      PRO   7  13.027   3.874  -4.567
   50    HD3  PRO   7           HD1      PRO   7  14.178   4.575  -3.408
   51    HA   PRO   8           HA       PRO   8  14.488   6.803  -8.471
   52    HB2  PRO   8           HB2      PRO   8  14.045   7.054 -11.011
   53    HB3  PRO   8           HB1      PRO   8  13.627   5.505 -10.255
   54    HG2  PRO   8           HG2      PRO   8  11.829   7.768 -11.045
   55    HG3  PRO   8           HG1      PRO   8  11.537   6.041 -11.222
   56    HD2  PRO   8           HD2      PRO   8  10.669   7.695  -9.095
   57    HD3  PRO   8           HD1      PRO   8  10.603   5.932  -9.121
   58    H    PHE   9           HN       PHE   9  12.751   9.073  -7.342
   59    HA   PHE   9           HA       PHE   9  14.067  11.041  -9.015
   60    HB2  PHE   9           HB2      PHE   9  11.331  11.496  -7.791
   61    HB3  PHE   9           HB1      PHE   9  12.229  12.657  -8.754
   62    HD1  PHE   9           HD1      PHE   9   9.464  10.808  -8.921
   63    HD2  PHE   9           HD2      PHE   9  13.127  11.224 -11.056
   64    HE1  PHE   9           HE1      PHE   9   8.397   9.889 -10.936
   65    HE2  PHE   9           HE2      PHE   9  12.059  10.317 -13.075
   66    HZ   PHE   9           HZ       PHE   9   9.693   9.644 -13.018
   67    H    CYS  10           HN       CYS  10  15.716  10.808  -7.400
   68    HA   CYS  10           HA       CYS  10  15.434  12.963  -5.463
   69    HB2  CYS  10           HB2      CYS  10  16.101  10.142  -4.753
   70    HB3  CYS  10           HB1      CYS  10  16.929  11.436  -3.895
   71    HN1  NH2  11           H1       CYS  10  16.696  14.183  -6.830
   72    HN2  NH2  11           H2       CYS  10  18.383  13.895  -7.052
  Start of MODEL    7
    1    H1   GLY   1           HT1      GLY   1  -1.735   0.383  -2.482
    2    H2   GLY   1           HT2      GLY   1  -1.264  -1.105  -3.134
    3    H3   GLY   1           HT3      GLY   1  -1.550   0.214  -4.153
    4    HA2  GLY   1           HA1      GLY   1   0.617   0.015  -2.152
    5    HA3  GLY   1           HA2      GLY   1   0.813  -0.159  -3.890
    6    H    PHE   2           HN       PHE   2   2.369   1.673  -2.876
    7    HA   PHE   2           HA       PHE   2   1.102   4.193  -3.622
    8    HB2  PHE   2           HB2      PHE   2   1.288   4.058  -1.154
    9    HB3  PHE   2           HB1      PHE   2   3.012   3.741  -1.326
   10    HD1  PHE   2           HD1      PHE   2   0.391   6.263  -1.541
   11    HD2  PHE   2           HD2      PHE   2   4.541   5.464  -1.910
   12    HE1  PHE   2           HE1      PHE   2   0.848   8.679  -1.479
   13    HE2  PHE   2           HE2      PHE   2   5.021   7.887  -1.841
   14    HZ   PHE   2           HZ       PHE   2   3.169   9.494  -1.626
   15    H    ARG   3           HN       ARG   3   2.286   5.275  -5.137
   16    HA   ARG   3           HA       ARG   3   4.834   4.208  -5.905
   17    HB2  ARG   3           HB2      ARG   3   3.148   4.891  -7.514
   18    HB3  ARG   3           HB1      ARG   3   3.223   6.524  -6.864
   19    HG2  ARG   3           HG2      ARG   3   5.647   6.552  -7.504
   20    HG3  ARG   3           HG1      ARG   3   5.343   5.051  -8.386
   21    HD2  ARG   3           HD2      ARG   3   3.615   6.156  -9.666
   22    HD3  ARG   3           HD1      ARG   3   3.916   7.652  -8.786
   23    HE   ARG   3           HE       ARG   3   6.116   6.425 -10.287
   24   HH11  ARG   3          HH11      ARG   3   3.853   9.081  -9.921
   25   HH12  ARG   3          HH12      ARG   3   4.624  10.082 -11.099
   26   HH21  ARG   3          HH21      ARG   3   7.152   7.758 -11.847
   27   HH22  ARG   3          HH22      ARG   3   6.517   9.329 -12.188
   28    H    SER   4           HN       SER   4   6.233   4.747  -4.242
   29    HA   SER   4           HA       SER   4   6.540   7.496  -3.424
   30    HB2  SER   4           HB2      SER   4   6.966   5.598  -1.851
   31    HB3  SER   4           HB1      SER   4   8.323   5.105  -2.861
   32    HG   SER   4           HG       SER   4   9.293   6.341  -1.417
   33    HA   PRO   5           HA       PRO   5   9.115   8.073  -7.076
   34    HB2  PRO   5           HB2      PRO   5   9.210  10.736  -6.990
   35    HB3  PRO   5           HB1      PRO   5   7.770   9.860  -7.537
   36    HG2  PRO   5           HG2      PRO   5   8.327  11.171  -4.907
   37    HG3  PRO   5           HG1      PRO   5   6.820  11.133  -5.838
   38    HD2  PRO   5           HD2      PRO   5   7.349   9.512  -3.682
   39    HD3  PRO   5           HD1      PRO   5   6.204   9.116  -4.980
   40    H    CYS   6           HN       CYS   6  10.463   7.283  -4.772
   41    HA   CYS   6           HA       CYS   6  12.983   8.565  -5.199
   42    HB2  CYS   6           HB2      CYS   6  11.877  10.167  -3.650
   43    HB3  CYS   6           HB1      CYS   6  11.714   8.872  -2.468
   44    HA   PRO   7           HA       PRO   7  14.117   7.291  -6.308
   45    HB2  PRO   7           HB2      PRO   7  14.408   4.955  -7.650
   46    HB3  PRO   7           HB1      PRO   7  15.619   5.534  -6.498
   47    HG2  PRO   7           HG2      PRO   7  13.439   3.521  -6.102
   48    HG3  PRO   7           HG1      PRO   7  15.141   3.434  -5.611
   49    HD2  PRO   7           HD2      PRO   7  13.170   4.105  -3.890
   50    HD3  PRO   7           HD1      PRO   7  14.808   4.778  -3.770
   51    HA   PRO   8           HA       PRO   8  14.496   6.836  -8.491
   52    HB2  PRO   8           HB2      PRO   8  14.015   7.088 -11.021
   53    HB3  PRO   8           HB1      PRO   8  13.641   5.527 -10.269
   54    HG2  PRO   8           HG2      PRO   8  11.782   7.757 -11.016
   55    HG3  PRO   8           HG1      PRO   8  11.530   6.023 -11.211
   56    HD2  PRO   8           HD2      PRO   8  10.642   7.627  -9.059
   57    HD3  PRO   8           HD1      PRO   8  10.631   5.867  -9.095
   58    H    PHE   9           HN       PHE   9  12.739   9.068  -7.327
   59    HA   PHE   9           HA       PHE   9  14.018  11.050  -9.016
   60    HB2  PHE   9           HB2      PHE   9  11.280  11.470  -7.783
   61    HB3  PHE   9           HB1      PHE   9  12.160  12.647  -8.745
   62    HD1  PHE   9           HD1      PHE   9   9.441  10.710  -8.891
   63    HD2  PHE   9           HD2      PHE   9  13.055  11.282 -11.069
   64    HE1  PHE   9           HE1      PHE   9   8.379   9.770 -10.899
   65    HE2  PHE   9           HE2      PHE   9  11.993  10.356 -13.082
   66    HZ   PHE   9           HZ       PHE   9   9.652   9.595 -12.996
   67    H    CYS  10           HN       CYS  10  15.671  10.834  -7.423
   68    HA   CYS  10           HA       CYS  10  15.491  12.990  -5.515
   69    HB2  CYS  10           HB2      CYS  10  15.878  10.140  -4.677
   70    HB3  CYS  10           HB1      CYS  10  16.703  11.421  -3.797
   71    HN1  NH2  11           H1       CYS  10  16.991  14.055  -6.706
   72    HN2  NH2  11           H2       CYS  10  18.625  13.527  -6.899
  Start of MODEL    8
    1    H1   GLY   1           HT1      GLY   1  -0.801   2.277  -0.292
    2    H2   GLY   1           HT2      GLY   1  -1.132   0.705  -0.819
    3    H3   GLY   1           HT3      GLY   1  -1.644   2.029  -1.730
    4    HA2  GLY   1           HA1      GLY   1   1.167   1.280  -1.241
    5    HA3  GLY   1           HA2      GLY   1   0.281   1.004  -2.734
    6    H    PHE   2           HN       PHE   2   1.663   3.436  -0.616
    7    HA   PHE   2           HA       PHE   2   1.066   5.574  -2.467
    8    HB2  PHE   2           HB2      PHE   2   0.999   5.766   0.069
    9    HB3  PHE   2           HB1      PHE   2   2.755   5.651   0.024
   10    HD1  PHE   2           HD1      PHE   2  -0.091   7.764  -0.350
   11    HD2  PHE   2           HD2      PHE   2   4.059   7.416  -1.181
   12    HE1  PHE   2           HE1      PHE   2   0.039  10.205  -0.684
   13    HE2  PHE   2           HE2      PHE   2   4.207   9.844  -1.512
   14    HZ   PHE   2           HZ       PHE   2   2.195  11.248  -1.266
   15    H    ARG   3           HN       ARG   3   2.379   5.882  -4.179
   16    HA   ARG   3           HA       ARG   3   5.103   4.938  -4.036
   17    HB2  ARG   3           HB2      ARG   3   3.382   6.065  -6.155
   18    HB3  ARG   3           HB1      ARG   3   5.123   5.988  -6.378
   19    HG2  ARG   3           HG2      ARG   3   3.305   3.668  -5.810
   20    HG3  ARG   3           HG1      ARG   3   4.033   4.057  -7.373
   21    HD2  ARG   3           HD2      ARG   3   5.422   3.203  -4.839
   22    HD3  ARG   3           HD1      ARG   3   5.326   2.322  -6.359
   23    HE   ARG   3           HE       ARG   3   6.590   4.586  -7.109
   24   HH11  ARG   3          HH11      ARG   3   7.187   2.331  -4.489
   25   HH12  ARG   3          HH12      ARG   3   8.887   2.636  -4.443
   26   HH21  ARG   3          HH21      ARG   3   8.832   4.989  -7.041
   27   HH22  ARG   3          HH22      ARG   3   9.831   4.145  -5.915
   28    H    SER   4           HN       SER   4   6.198   6.257  -2.676
   29    HA   SER   4           HA       SER   4   6.314   9.088  -3.244
   30    HB2  SER   4           HB2      SER   4   8.011   7.362  -1.414
   31    HB3  SER   4           HB1      SER   4   8.117   9.120  -1.522
   32    HG   SER   4           HG       SER   4   5.884   7.573  -0.696
   33    HA   PRO   5           HA       PRO   5   9.104   8.331  -6.626
   34    HB2  PRO   5           HB2      PRO   5   9.743  10.912  -7.111
   35    HB3  PRO   5           HB1      PRO   5   8.224  10.167  -7.638
   36    HG2  PRO   5           HG2      PRO   5   8.785  11.891  -5.257
   37    HG3  PRO   5           HG1      PRO   5   7.398  11.946  -6.365
   38    HD2  PRO   5           HD2      PRO   5   7.261  10.785  -3.938
   39    HD3  PRO   5           HD1      PRO   5   6.357  10.154  -5.331
   40    H    CYS   6           HN       CYS   6  10.526   7.428  -4.864
   41    HA   CYS   6           HA       CYS   6  13.138   8.383  -5.244
   42    HB2  CYS   6           HB2      CYS   6  12.252  10.095  -3.634
   43    HB3  CYS   6           HB1      CYS   6  12.114   8.805  -2.443
   44    HA   PRO   7           HA       PRO   7  14.106   7.036  -6.302
   45    HB2  PRO   7           HB2      PRO   7  13.726   4.328  -7.354
   46    HB3  PRO   7           HB1      PRO   7  15.223   5.241  -7.166
   47    HG2  PRO   7           HG2      PRO   7  14.650   3.081  -5.652
   48    HG3  PRO   7           HG1      PRO   7  15.597   4.451  -5.043
   49    HD2  PRO   7           HD2      PRO   7  12.705   3.809  -4.618
   50    HD3  PRO   7           HD1      PRO   7  13.918   4.372  -3.448
   51    HA   PRO   8           HA       PRO   8  14.439   6.746  -8.401
   52    HB2  PRO   8           HB2      PRO   8  14.054   7.010 -10.948
   53    HB3  PRO   8           HB1      PRO   8  13.590   5.470 -10.202
   54    HG2  PRO   8           HG2      PRO   8  11.848   7.767 -11.028
   55    HG3  PRO   8           HG1      PRO   8  11.532   6.041 -11.203
   56    HD2  PRO   8           HD2      PRO   8  10.649   7.719  -9.092
   57    HD3  PRO   8           HD1      PRO   8  10.550   5.958  -9.117
   58    H    PHE   9           HN       PHE   9  12.773   9.088  -7.295
   59    HA   PHE   9           HA       PHE   9  14.160  10.977  -8.998
   60    HB2  PHE   9           HB2      PHE   9  11.366  11.498  -7.955
   61    HB3  PHE   9           HB1      PHE   9  12.340  12.651  -8.846
   62    HD1  PHE   9           HD1      PHE   9   9.587  10.841  -9.238
   63    HD2  PHE   9           HD2      PHE   9  13.412  11.197 -11.070
   64    HE1  PHE   9           HE1      PHE   9   8.670   9.922 -11.329
   65    HE2  PHE   9           HE2      PHE   9  12.499  10.293 -13.167
   66    HZ   PHE   9           HZ       PHE   9  10.125   9.650 -13.297
   67    H    CYS  10           HN       CYS  10  15.752  10.832  -7.342
   68    HA   CYS  10           HA       CYS  10  15.376  13.013  -5.436
   69    HB2  CYS  10           HB2      CYS  10  16.241  10.240  -4.761
   70    HB3  CYS  10           HB1      CYS  10  16.989  11.584  -3.908
   71    HN1  NH2  11           H1       CYS  10  16.532  14.281  -6.862
   72    HN2  NH2  11           H2       CYS  10  18.235  14.099  -7.090
  Start of MODEL    9
    1    H1   GLY   1           HT1      GLY   1   2.143   0.087   1.399
    2    H2   GLY   1           HT2      GLY   1   2.394  -1.559   1.107
    3    H3   GLY   1           HT3      GLY   1   1.200  -0.719   0.252
    4    HA2  GLY   1           HA1      GLY   1   4.115  -0.262   0.066
    5    HA3  GLY   1           HA2      GLY   1   3.123  -1.083  -1.131
    6    H    PHE   2           HN       PHE   2   4.153   1.955   0.139
    7    HA   PHE   2           HA       PHE   2   2.363   3.410  -1.646
    8    HB2  PHE   2           HB2      PHE   2   2.562   4.143   0.727
    9    HB3  PHE   2           HB1      PHE   2   4.281   4.413   0.467
   10    HD1  PHE   2           HD1      PHE   2   0.947   5.708   0.017
   11    HD2  PHE   2           HD2      PHE   2   5.031   6.220  -1.024
   12    HE1  PHE   2           HE1      PHE   2   0.464   8.009  -0.714
   13    HE2  PHE   2           HE2      PHE   2   4.565   8.523  -1.755
   14    HZ   PHE   2           HZ       PHE   2   2.274   9.420  -1.600
   15    H    ARG   3           HN       ARG   3   3.133   4.115  -3.571
   16    HA   ARG   3           HA       ARG   3   5.916   3.757  -4.135
   17    HB2  ARG   3           HB2      ARG   3   3.473   4.321  -5.659
   18    HB3  ARG   3           HB1      ARG   3   4.989   4.882  -6.351
   19    HG2  ARG   3           HG2      ARG   3   4.333   2.053  -5.568
   20    HG3  ARG   3           HG1      ARG   3   4.409   2.686  -7.216
   21    HD2  ARG   3           HD2      ARG   3   6.669   2.451  -5.241
   22    HD3  ARG   3           HD1      ARG   3   6.457   1.514  -6.716
   23    HE   ARG   3           HE       ARG   3   6.640   3.844  -7.832
   24   HH11  ARG   3          HH11      ARG   3   8.433   2.810  -4.995
   25   HH12  ARG   3          HH12      ARG   3   9.750   3.888  -5.294
   26   HH21  ARG   3          HH21      ARG   3   8.390   5.267  -8.208
   27   HH22  ARG   3          HH22      ARG   3   9.728   5.275  -7.104
   28    H    SER   4           HN       SER   4   6.931   5.248  -2.921
   29    HA   SER   4           HA       SER   4   6.445   8.062  -3.359
   30    HB2  SER   4           HB2      SER   4   8.723   6.675  -1.925
   31    HB3  SER   4           HB1      SER   4   8.339   8.393  -1.846
   32    HG   SER   4           HG       SER   4   7.351   6.366  -0.395
   33    HA   PRO   5           HA       PRO   5   9.068   8.087  -6.964
   34    HB2  PRO   5           HB2      PRO   5   9.428  10.758  -7.137
   35    HB3  PRO   5           HB1      PRO   5   7.937   9.947  -7.645
   36    HG2  PRO   5           HG2      PRO   5   8.548  11.428  -5.121
   37    HG3  PRO   5           HG1      PRO   5   7.067  11.448  -6.094
   38    HD2  PRO   5           HD2      PRO   5   7.305  10.018  -3.810
   39    HD3  PRO   5           HD1      PRO   5   6.288   9.500  -5.170
   40    H    CYS   6           HN       CYS   6  10.462   7.413  -4.687
   41    HA   CYS   6           HA       CYS   6  13.054   8.446  -5.313
   42    HB2  CYS   6           HB2      CYS   6  12.243  10.226  -3.843
   43    HB3  CYS   6           HB1      CYS   6  11.871   9.041  -2.598
   44    HA   PRO   7           HA       PRO   7  14.129   7.112  -6.338
   45    HB2  PRO   7           HB2      PRO   7  13.840   4.345  -7.265
   46    HB3  PRO   7           HB1      PRO   7  15.297   5.335  -7.164
   47    HG2  PRO   7           HG2      PRO   7  14.881   3.225  -5.534
   48    HG3  PRO   7           HG1      PRO   7  15.761   4.671  -5.007
   49    HD2  PRO   7           HD2      PRO   7  12.916   3.891  -4.487
   50    HD3  PRO   7           HD1      PRO   7  14.118   4.571  -3.369
   51    HA   PRO   8           HA       PRO   8  14.439   6.763  -8.489
   52    HB2  PRO   8           HB2      PRO   8  13.966   7.050 -11.010
   53    HB3  PRO   8           HB1      PRO   8  13.512   5.504 -10.271
   54    HG2  PRO   8           HG2      PRO   8  11.763   7.851 -10.950
   55    HG3  PRO   8           HG1      PRO   8  11.442   6.138 -11.237
   56    HD2  PRO   8           HD2      PRO   8  10.574   7.639  -9.014
   57    HD3  PRO   8           HD1      PRO   8  10.566   5.878  -9.112
   58    H    PHE   9           HN       PHE   9  12.764   9.080  -7.304
   59    HA   PHE   9           HA       PHE   9  14.123  11.011  -8.984
   60    HB2  PHE   9           HB2      PHE   9  11.349  11.507  -7.866
   61    HB3  PHE   9           HB1      PHE   9  12.307  12.678  -8.757
   62    HD1  PHE   9           HD1      PHE   9   9.554  10.819  -9.092
   63    HD2  PHE   9           HD2      PHE   9  13.299  11.330 -11.047
   64    HE1  PHE   9           HE1      PHE   9   8.586   9.950 -11.175
   65    HE2  PHE   9           HE2      PHE   9  12.330  10.473 -13.137
   66    HZ   PHE   9           HZ       PHE   9   9.973   9.782 -13.201
   67    H    CYS  10           HN       CYS  10  15.739  10.829  -7.370
   68    HA   CYS  10           HA       CYS  10  15.393  12.946  -5.405
   69    HB2  CYS  10           HB2      CYS  10  16.069  10.126  -4.756
   70    HB3  CYS  10           HB1      CYS  10  16.993  11.373  -3.928
   71    HN1  NH2  11           H1       CYS  10  16.581  14.178  -6.861
   72    HN2  NH2  11           H2       CYS  10  18.279  13.954  -7.081
  Start of MODEL   10
    1    H1   GLY   1           HT1      GLY   1   3.062  -0.227   1.927
    2    H2   GLY   1           HT2      GLY   1   2.204  -1.660   1.663
    3    H3   GLY   1           HT3      GLY   1   1.373  -0.219   1.929
    4    HA2  GLY   1           HA1      GLY   1   3.091  -0.803  -0.405
    5    HA3  GLY   1           HA2      GLY   1   1.335  -0.827  -0.399
    6    H    PHE   2           HN       PHE   2   4.175   1.234  -0.019
    7    HA   PHE   2           HA       PHE   2   2.581   3.475  -0.999
    8    HB2  PHE   2           HB2      PHE   2   3.028   3.638   1.484
    9    HB3  PHE   2           HB1      PHE   2   4.746   3.652   1.095
   10    HD1  PHE   2           HD1      PHE   2   1.923   5.625   1.700
   11    HD2  PHE   2           HD2      PHE   2   5.490   5.484  -0.590
   12    HE1  PHE   2           HE1      PHE   2   1.842   8.077   1.449
   13    HE2  PHE   2           HE2      PHE   2   5.429   7.942  -0.851
   14    HZ   PHE   2           HZ       PHE   2   3.602   9.237   0.170
   15    H    ARG   3           HN       ARG   3   3.419   3.558  -3.059
   16    HA   ARG   3           HA       ARG   3   6.249   3.228  -3.422
   17    HB2  ARG   3           HB2      ARG   3   4.601   2.315  -4.951
   18    HB3  ARG   3           HB1      ARG   3   4.054   3.949  -5.296
   19    HG2  ARG   3           HG2      ARG   3   6.215   4.494  -6.246
   20    HG3  ARG   3           HG1      ARG   3   6.794   2.865  -5.879
   21    HD2  ARG   3           HD2      ARG   3   5.054   1.934  -7.287
   22    HD3  ARG   3           HD1      ARG   3   4.489   3.560  -7.664
   23    HE   ARG   3           HE       ARG   3   7.204   3.428  -8.313
   24   HH11  ARG   3          HH11      ARG   3   4.184   2.023  -9.409
   25   HH12  ARG   3          HH12      ARG   3   4.721   1.801 -11.035
   26   HH21  ARG   3          HH21      ARG   3   7.928   3.112 -10.471
   27   HH22  ARG   3          HH22      ARG   3   6.864   2.422 -11.642
   28    H    SER   4           HN       SER   4   7.179   4.973  -2.426
   29    HA   SER   4           HA       SER   4   6.422   7.670  -3.116
   30    HB2  SER   4           HB2      SER   4   7.386   7.035  -0.874
   31    HB3  SER   4           HB1      SER   4   8.911   6.682  -1.679
   32    HG   SER   4           HG       SER   4   7.592   9.203  -1.546
   33    HA   PRO   5           HA       PRO   5   8.884   7.815  -6.844
   34    HB2  PRO   5           HB2      PRO   5   9.180  10.487  -7.049
   35    HB3  PRO   5           HB1      PRO   5   7.669   9.652  -7.454
   36    HG2  PRO   5           HG2      PRO   5   8.431  11.158  -4.982
   37    HG3  PRO   5           HG1      PRO   5   6.885  11.149  -5.849
   38    HD2  PRO   5           HD2      PRO   5   7.307   9.736  -3.582
   39    HD3  PRO   5           HD1      PRO   5   6.206   9.199  -4.867
   40    H    CYS   6           HN       CYS   6  10.354   7.397  -4.425
   41    HA   CYS   6           HA       CYS   6  12.905   8.468  -5.276
   42    HB2  CYS   6           HB2      CYS   6  12.060  10.185  -3.742
   43    HB3  CYS   6           HB1      CYS   6  11.808   8.968  -2.496
   44    HA   PRO   7           HA       PRO   7  14.111   7.242  -6.284
   45    HB2  PRO   7           HB2      PRO   7  14.030   4.496  -7.298
   46    HB3  PRO   7           HB1      PRO   7  15.417   5.572  -7.116
   47    HG2  PRO   7           HG2      PRO   7  15.080   3.390  -5.567
   48    HG3  PRO   7           HG1      PRO   7  15.854   4.868  -4.971
   49    HD2  PRO   7           HD2      PRO   7  13.044   3.909  -4.572
   50    HD3  PRO   7           HD1      PRO   7  14.171   4.609  -3.390
   51    HA   PRO   8           HA       PRO   8  14.540   6.858  -8.435
   52    HB2  PRO   8           HB2      PRO   8  14.161   7.108 -10.982
   53    HB3  PRO   8           HB1      PRO   8  13.744   5.548 -10.247
   54    HG2  PRO   8           HG2      PRO   8  11.938   7.802 -11.050
   55    HG3  PRO   8           HG1      PRO   8  11.679   6.075 -11.280
   56    HD2  PRO   8           HD2      PRO   8  10.706   7.644  -9.144
   57    HD3  PRO   8           HD1      PRO   8  10.714   5.882  -9.200
   58    H    PHE   9           HN       PHE   9  12.714   9.078  -7.346
   59    HA   PHE   9           HA       PHE   9  14.017  11.069  -9.000
   60    HB2  PHE   9           HB2      PHE   9  11.276  11.459  -7.764
   61    HB3  PHE   9           HB1      PHE   9  12.152  12.655  -8.706
   62    HD1  PHE   9           HD1      PHE   9   9.437  10.712  -8.909
   63    HD2  PHE   9           HD2      PHE   9  13.085  11.313 -11.031
   64    HE1  PHE   9           HE1      PHE   9   8.409   9.795 -10.946
   65    HE2  PHE   9           HE2      PHE   9  12.054  10.406 -13.070
   66    HZ   PHE   9           HZ       PHE   9   9.713   9.643 -13.029
   67    H    CYS  10           HN       CYS  10  15.658  10.787  -7.410
   68    HA   CYS  10           HA       CYS  10  15.486  12.964  -5.503
   69    HB2  CYS  10           HB2      CYS  10  16.029  10.120  -4.741
   70    HB3  CYS  10           HB1      CYS  10  16.878  11.404  -3.890
   71    HN1  NH2  11           H1       CYS  10  16.785  14.017  -7.008
   72    HN2  NH2  11           H2       CYS  10  18.459  13.635  -7.206
  Start of MODEL   11
    1    H1   GLY   1           HT1      GLY   1   2.313   0.343  -1.137
    2    H2   GLY   1           HT2      GLY   1   1.819  -0.396   0.302
    3    H3   GLY   1           HT3      GLY   1   2.737   1.019   0.351
    4    HA2  GLY   1           HA1      GLY   1  -0.025   0.761  -0.693
    5    HA3  GLY   1           HA2      GLY   1   0.432   1.497   0.835
    6    H    PHE   2           HN       PHE   2   2.671   2.969   0.050
    7    HA   PHE   2           HA       PHE   2   1.437   4.965  -1.692
    8    HB2  PHE   2           HB2      PHE   2   1.847   5.610   0.682
    9    HB3  PHE   2           HB1      PHE   2   3.557   5.274   0.440
   10    HD1  PHE   2           HD1      PHE   2   0.837   7.592  -0.179
   11    HD2  PHE   2           HD2      PHE   2   4.931   6.740  -0.907
   12    HE1  PHE   2           HE1      PHE   2   1.180   9.919  -0.907
   13    HE2  PHE   2           HE2      PHE   2   5.292   9.070  -1.637
   14    HZ   PHE   2           HZ       PHE   2   3.414  10.660  -1.636
   15    H    ARG   3           HN       ARG   3   2.466   5.417  -3.586
   16    HA   ARG   3           HA       ARG   3   4.995   4.175  -4.146
   17    HB2  ARG   3           HB2      ARG   3   3.255   4.223  -5.801
   18    HB3  ARG   3           HB1      ARG   3   3.176   5.975  -5.673
   19    HG2  ARG   3           HG2      ARG   3   5.561   6.030  -6.463
   20    HG3  ARG   3           HG1      ARG   3   5.383   4.312  -6.839
   21    HD2  ARG   3           HD2      ARG   3   3.661   4.737  -8.378
   22    HD3  ARG   3           HD1      ARG   3   3.506   6.407  -7.833
   23    HE   ARG   3           HE       ARG   3   6.088   5.676  -8.950
   24   HH11  ARG   3          HH11      ARG   3   2.921   7.046  -9.608
   25   HH12  ARG   3          HH12      ARG   3   3.455   7.959 -10.978
   26   HH21  ARG   3          HH21      ARG   3   6.803   6.896 -10.764
   27   HH22  ARG   3          HH22      ARG   3   5.672   7.882 -11.632
   28    H    SER   4           HN       SER   4   6.475   5.265  -2.853
   29    HA   SER   4           HA       SER   4   6.664   8.127  -2.928
   30    HB2  SER   4           HB2      SER   4   7.396   6.797  -0.945
   31    HB3  SER   4           HB1      SER   4   8.687   6.102  -1.922
   32    HG   SER   4           HG       SER   4   9.736   7.763  -1.120
   33    HA   PRO   5           HA       PRO   5   8.914   8.056  -6.808
   34    HB2  PRO   5           HB2      PRO   5   9.309  10.717  -6.971
   35    HB3  PRO   5           HB1      PRO   5   7.766   9.951  -7.379
   36    HG2  PRO   5           HG2      PRO   5   8.587  11.414  -4.904
   37    HG3  PRO   5           HG1      PRO   5   7.029  11.435  -5.749
   38    HD2  PRO   5           HD2      PRO   5   7.504   9.993  -3.484
   39    HD3  PRO   5           HD1      PRO   5   6.305   9.537  -4.712
   40    H    CYS   6           HN       CYS   6  10.378   7.380  -4.541
   41    HA   CYS   6           HA       CYS   6  12.967   8.405  -5.259
   42    HB2  CYS   6           HB2      CYS   6  12.059  10.107  -3.676
   43    HB3  CYS   6           HB1      CYS   6  11.939   8.850  -2.451
   44    HA   PRO   7           HA       PRO   7  14.114   7.124  -6.269
   45    HB2  PRO   7           HB2      PRO   7  13.892   4.399  -7.323
   46    HB3  PRO   7           HB1      PRO   7  15.334   5.399  -7.133
   47    HG2  PRO   7           HG2      PRO   7  14.886   3.213  -5.613
   48    HG3  PRO   7           HG1      PRO   7  15.745   4.638  -5.001
   49    HD2  PRO   7           HD2      PRO   7  12.893   3.822  -4.588
   50    HD3  PRO   7           HD1      PRO   7  14.060   4.463  -3.411
   51    HA   PRO   8           HA       PRO   8  14.508   6.837  -8.385
   52    HB2  PRO   8           HB2      PRO   8  14.131   7.069 -10.944
   53    HB3  PRO   8           HB1      PRO   8  13.741   5.516 -10.186
   54    HG2  PRO   8           HG2      PRO   8  11.901   7.684 -11.101
   55    HG3  PRO   8           HG1      PRO   8  11.648   5.944 -11.168
   56    HD2  PRO   8           HD2      PRO   8  10.755   7.749  -9.148
   57    HD3  PRO   8           HD1      PRO   8  10.610   5.993  -9.118
   58    H    PHE   9           HN       PHE   9  12.749   9.117  -7.314
   59    HA   PHE   9           HA       PHE   9  14.071  11.048  -9.030
   60    HB2  PHE   9           HB2      PHE   9  11.345  11.550  -7.807
   61    HB3  PHE   9           HB1      PHE   9  12.240  12.664  -8.830
   62    HD1  PHE   9           HD1      PHE   9   9.486  10.757  -8.864
   63    HD2  PHE   9           HD2      PHE   9  13.090  11.199 -11.084
   64    HE1  PHE   9           HE1      PHE   9   8.407   9.741 -10.828
   65    HE2  PHE   9           HE2      PHE   9  12.011  10.199 -13.049
   66    HZ   PHE   9           HZ       PHE   9   9.672   9.465 -12.923
   67    H    CYS  10           HN       CYS  10  15.699  10.792  -7.361
   68    HA   CYS  10           HA       CYS  10  15.473  13.061  -5.552
   69    HB2  CYS  10           HB2      CYS  10  16.177  10.269  -4.679
   70    HB3  CYS  10           HB1      CYS  10  16.828  11.664  -3.832
   71    HN1  NH2  11           H1       CYS  10  16.820  14.189  -6.880
   72    HN2  NH2  11           H2       CYS  10  18.478  13.781  -7.133
  Start of MODEL   12
    1    H1   GLY   1           HT1      GLY   1   1.186   0.329   0.359
    2    H2   GLY   1           HT2      GLY   1   1.127  -1.324   0.008
    3    H3   GLY   1           HT3      GLY   1   0.101  -0.251  -0.802
    4    HA2  GLY   1           HA1      GLY   1   3.047  -0.326  -1.016
    5    HA3  GLY   1           HA2      GLY   1   1.918  -0.922  -2.224
    6    H    PHE   2           HN       PHE   2   3.093   1.952  -0.573
    7    HA   PHE   2           HA       PHE   2   1.719   3.714  -2.408
    8    HB2  PHE   2           HB2      PHE   2   1.953   4.181   0.047
    9    HB3  PHE   2           HB1      PHE   2   3.687   4.337  -0.200
   10    HD1  PHE   2           HD1      PHE   2   0.435   5.863  -0.653
   11    HD2  PHE   2           HD2      PHE   2   4.603   6.260  -1.383
   12    HE1  PHE   2           HE1      PHE   2   0.111   8.252  -1.168
   13    HE2  PHE   2           HE2      PHE   2   4.291   8.646  -1.901
   14    HZ   PHE   2           HZ       PHE   2   2.044   9.645  -1.790
   15    H    ARG   3           HN       ARG   3   2.674   4.607  -4.187
   16    HA   ARG   3           HA       ARG   3   5.400   3.921  -4.751
   17    HB2  ARG   3           HB2      ARG   3   3.131   5.090  -6.213
   18    HB3  ARG   3           HB1      ARG   3   4.743   5.506  -6.777
   19    HG2  ARG   3           HG2      ARG   3   3.602   2.740  -6.491
   20    HG3  ARG   3           HG1      ARG   3   3.901   3.603  -8.004
   21    HD2  ARG   3           HD2      ARG   3   5.919   2.614  -6.005
   22    HD3  ARG   3           HD1      ARG   3   5.699   2.058  -7.662
   23    HE   ARG   3           HE       ARG   3   6.297   4.667  -8.020
   24   HH11  ARG   3          HH11      ARG   3   7.860   2.157  -6.152
   25   HH12  ARG   3          HH12      ARG   3   9.429   2.867  -6.265
   26   HH21  ARG   3          HH21      ARG   3   8.346   5.622  -8.162
   27   HH22  ARG   3          HH22      ARG   3   9.711   4.873  -7.398
   28    H    SER   4           HN       SER   4   6.611   5.047  -3.336
   29    HA   SER   4           HA       SER   4   6.465   7.934  -3.255
   30    HB2  SER   4           HB2      SER   4   7.082   6.668  -1.213
   31    HB3  SER   4           HB1      SER   4   8.488   6.014  -2.046
   32    HG   SER   4           HG       SER   4   7.983   8.750  -1.452
   33    HA   PRO   5           HA       PRO   5   9.041   8.093  -6.914
   34    HB2  PRO   5           HB2      PRO   5   9.290  10.781  -7.004
   35    HB3  PRO   5           HB1      PRO   5   7.845   9.919  -7.561
   36    HG2  PRO   5           HG2      PRO   5   8.333  11.385  -5.000
   37    HG3  PRO   5           HG1      PRO   5   6.863  11.319  -5.986
   38    HD2  PRO   5           HD2      PRO   5   7.212   9.870  -3.708
   39    HD3  PRO   5           HD1      PRO   5   6.181   9.345  -5.054
   40    H    CYS   6           HN       CYS   6  10.466   7.350  -4.733
   41    HA   CYS   6           HA       CYS   6  13.012   8.540  -5.241
   42    HB2  CYS   6           HB2      CYS   6  12.058  10.205  -3.701
   43    HB3  CYS   6           HB1      CYS   6  11.783   8.944  -2.507
   44    HA   PRO   7           HA       PRO   7  14.121   7.244  -6.331
   45    HB2  PRO   7           HB2      PRO   7  14.330   4.884  -7.654
   46    HB3  PRO   7           HB1      PRO   7  15.572   5.451  -6.532
   47    HG2  PRO   7           HG2      PRO   7  13.359   3.491  -6.073
   48    HG3  PRO   7           HG1      PRO   7  15.064   3.377  -5.602
   49    HD2  PRO   7           HD2      PRO   7  13.135   4.113  -3.864
   50    HD3  PRO   7           HD1      PRO   7  14.783   4.763  -3.781
   51    HA   PRO   8           HA       PRO   8  14.475   6.809  -8.493
   52    HB2  PRO   8           HB2      PRO   8  13.995   7.055 -11.024
   53    HB3  PRO   8           HB1      PRO   8  13.605   5.501 -10.266
   54    HG2  PRO   8           HG2      PRO   8  11.767   7.743 -11.026
   55    HG3  PRO   8           HG1      PRO   8  11.498   6.011 -11.203
   56    HD2  PRO   8           HD2      PRO   8  10.635   7.650  -9.060
   57    HD3  PRO   8           HD1      PRO   8  10.589   5.889  -9.084
   58    H    PHE   9           HN       PHE   9  12.751   9.052  -7.327
   59    HA   PHE   9           HA       PHE   9  14.050  11.027  -9.001
   60    HB2  PHE   9           HB2      PHE   9  11.304  11.485  -7.792
   61    HB3  PHE   9           HB1      PHE   9  12.210  12.648  -8.749
   62    HD1  PHE   9           HD1      PHE   9   9.459  10.762  -8.931
   63    HD2  PHE   9           HD2      PHE   9  13.116  11.251 -11.055
   64    HE1  PHE   9           HE1      PHE   9   8.410   9.830 -10.952
   65    HE2  PHE   9           HE2      PHE   9  12.070  10.332 -13.079
   66    HZ   PHE   9           HZ       PHE   9   9.715   9.616 -13.028
   67    H    CYS  10           HN       CYS  10  15.708  10.824  -7.414
   68    HA   CYS  10           HA       CYS  10  15.421  12.930  -5.440
   69    HB2  CYS  10           HB2      CYS  10  15.927  10.088  -4.734
   70    HB3  CYS  10           HB1      CYS  10  16.855  11.311  -3.876
   71    HN1  NH2  11           H1       CYS  10  16.713  14.003  -6.973
   72    HN2  NH2  11           H2       CYS  10  18.414  13.715  -7.055
  Start of MODEL   13
    1    H1   GLY   1           HT1      GLY   1  -0.745   1.908   0.751
    2    H2   GLY   1           HT2      GLY   1  -0.862   0.221   0.716
    3    H3   GLY   1           HT3      GLY   1  -1.612   1.147  -0.486
    4    HA2  GLY   1           HA1      GLY   1   1.301   0.907  -0.039
    5    HA3  GLY   1           HA2      GLY   1   0.391   0.154  -1.343
    6    H    PHE   2           HN       PHE   2   2.515   2.461  -0.916
    7    HA   PHE   2           HA       PHE   2   1.319   4.204  -2.928
    8    HB2  PHE   2           HB2      PHE   2   1.138   5.230  -0.661
    9    HB3  PHE   2           HB1      PHE   2   2.886   5.090  -0.504
   10    HD1  PHE   2           HD1      PHE   2   0.145   6.900  -2.037
   11    HD2  PHE   2           HD2      PHE   2   4.360   6.502  -1.770
   12    HE1  PHE   2           HE1      PHE   2   0.408   9.110  -3.082
   13    HE2  PHE   2           HE2      PHE   2   4.642   8.723  -2.814
   14    HZ   PHE   2           HZ       PHE   2   2.662  10.026  -3.472
   15    H    ARG   3           HN       ARG   3   2.725   4.520  -4.634
   16    HA   ARG   3           HA       ARG   3   5.401   3.515  -4.378
   17    HB2  ARG   3           HB2      ARG   3   4.029   3.167  -6.370
   18    HB3  ARG   3           HB1      ARG   3   3.982   4.911  -6.602
   19    HG2  ARG   3           HG2      ARG   3   6.475   4.860  -6.770
   20    HG3  ARG   3           HG1      ARG   3   6.362   3.097  -6.806
   21    HD2  ARG   3           HD2      ARG   3   4.931   3.217  -8.739
   22    HD3  ARG   3           HD1      ARG   3   4.998   4.976  -8.691
   23    HE   ARG   3           HE       ARG   3   7.396   3.313  -9.122
   24   HH11  ARG   3          HH11      ARG   3   5.373   6.049 -10.022
   25   HH12  ARG   3          HH12      ARG   3   6.456   6.622 -11.238
   26   HH21  ARG   3          HH21      ARG   3   8.849   4.089 -10.735
   27   HH22  ARG   3          HH22      ARG   3   8.438   5.497 -11.650
   28    H    SER   4           HN       SER   4   6.508   4.879  -3.063
   29    HA   SER   4           HA       SER   4   6.414   7.712  -3.262
   30    HB2  SER   4           HB2      SER   4   7.097   6.422  -1.210
   31    HB3  SER   4           HB1      SER   4   8.592   5.999  -2.040
   32    HG   SER   4           HG       SER   4   7.688   8.544  -1.197
   33    HA   PRO   5           HA       PRO   5   8.960   7.937  -6.934
   34    HB2  PRO   5           HB2      PRO   5   9.231  10.621  -6.974
   35    HB3  PRO   5           HB1      PRO   5   7.757   9.789  -7.499
   36    HG2  PRO   5           HG2      PRO   5   8.368  11.168  -4.915
   37    HG3  PRO   5           HG1      PRO   5   6.869  11.186  -5.860
   38    HD2  PRO   5           HD2      PRO   5   7.206   9.656  -3.650
   39    HD3  PRO   5           HD1      PRO   5   6.160   9.183  -5.005
   40    H    CYS   6           HN       CYS   6  10.356   7.344  -4.508
   41    HA   CYS   6           HA       CYS   6  12.920   8.491  -5.213
   42    HB2  CYS   6           HB2      CYS   6  11.955  10.134  -3.640
   43    HB3  CYS   6           HB1      CYS   6  11.795   8.866  -2.429
   44    HA   PRO   7           HA       PRO   7  14.112   7.261  -6.288
   45    HB2  PRO   7           HB2      PRO   7  14.028   4.504  -7.290
   46    HB3  PRO   7           HB1      PRO   7  15.406   5.600  -7.162
   47    HG2  PRO   7           HG2      PRO   7  15.167   3.433  -5.585
   48    HG3  PRO   7           HG1      PRO   7  15.905   4.940  -5.010
   49    HD2  PRO   7           HD2      PRO   7  13.129   3.901  -4.561
   50    HD3  PRO   7           HD1      PRO   7  14.259   4.630  -3.399
   51    HA   PRO   8           HA       PRO   8  14.504   6.846  -8.468
   52    HB2  PRO   8           HB2      PRO   8  14.058   7.073 -11.014
   53    HB3  PRO   8           HB1      PRO   8  13.704   5.516 -10.244
   54    HG2  PRO   8           HG2      PRO   8  11.817   7.682 -11.079
   55    HG3  PRO   8           HG1      PRO   8  11.592   5.940 -11.199
   56    HD2  PRO   8           HD2      PRO   8  10.675   7.637  -9.119
   57    HD3  PRO   8           HD1      PRO   8  10.642   5.876  -9.106
   58    H    PHE   9           HN       PHE   9  12.734   9.104  -7.360
   59    HA   PHE   9           HA       PHE   9  14.066  11.060  -9.042
   60    HB2  PHE   9           HB2      PHE   9  11.334  11.569  -7.822
   61    HB3  PHE   9           HB1      PHE   9  12.233  12.670  -8.856
   62    HD1  PHE   9           HD1      PHE   9   9.497  10.703  -8.846
   63    HD2  PHE   9           HD2      PHE   9  13.042  11.258 -11.133
   64    HE1  PHE   9           HE1      PHE   9   8.402   9.675 -10.790
   65    HE2  PHE   9           HE2      PHE   9  11.947  10.244 -13.088
   66    HZ   PHE   9           HZ       PHE   9   9.624   9.447 -12.918
   67    H    CYS  10           HN       CYS  10  15.689  10.811  -7.415
   68    HA   CYS  10           HA       CYS  10  15.471  12.987  -5.506
   69    HB2  CYS  10           HB2      CYS  10  15.963  10.141  -4.713
   70    HB3  CYS  10           HB1      CYS  10  16.767  11.427  -3.824
   71    HN1  NH2  11           H1       CYS  10  16.881  14.066  -6.854
   72    HN2  NH2  11           H2       CYS  10  18.544  13.630  -7.015
  Start of MODEL   14
    1    H1   GLY   1           HT1      GLY   1   4.731  -0.728   0.062
    2    H2   GLY   1           HT2      GLY   1   4.319  -2.361  -0.046
    3    H3   GLY   1           HT3      GLY   1   3.117  -1.202   0.192
    4    HA2  GLY   1           HA1      GLY   1   4.798  -1.444  -2.224
    5    HA3  GLY   1           HA2      GLY   1   3.135  -1.992  -2.090
    6    H    PHE   2           HN       PHE   2   4.793   0.981  -1.042
    7    HA   PHE   2           HA       PHE   2   2.715   2.529  -2.387
    8    HB2  PHE   2           HB2      PHE   2   2.962   2.935   0.025
    9    HB3  PHE   2           HB1      PHE   2   4.677   3.247  -0.198
   10    HD1  PHE   2           HD1      PHE   2   1.325   4.596  -0.458
   11    HD2  PHE   2           HD2      PHE   2   5.434   5.305  -1.282
   12    HE1  PHE   2           HE1      PHE   2   0.845   6.991  -0.762
   13    HE2  PHE   2           HE2      PHE   2   4.963   7.705  -1.584
   14    HZ   PHE   2           HZ       PHE   2   2.666   8.548  -1.325
   15    H    ARG   3           HN       ARG   3   3.296   3.742  -4.129
   16    HA   ARG   3           HA       ARG   3   6.038   3.623  -4.952
   17    HB2  ARG   3           HB2      ARG   3   3.484   4.447  -6.160
   18    HB3  ARG   3           HB1      ARG   3   4.974   5.081  -6.847
   19    HG2  ARG   3           HG2      ARG   3   4.273   2.179  -6.503
   20    HG3  ARG   3           HG1      ARG   3   4.265   3.075  -8.027
   21    HD2  ARG   3           HD2      ARG   3   6.634   2.425  -6.279
   22    HD3  ARG   3           HD1      ARG   3   6.306   1.818  -7.897
   23    HE   ARG   3           HE       ARG   3   6.569   4.220  -8.626
   24   HH11  ARG   3          HH11      ARG   3   8.250   2.929  -5.815
   25   HH12  ARG   3          HH12      ARG   3   9.523   4.094  -5.893
   26   HH21  ARG   3          HH21      ARG   3   8.256   5.765  -8.706
   27   HH22  ARG   3          HH22      ARG   3   9.529   5.698  -7.524
   28    H    SER   4           HN       SER   4   7.061   4.876  -3.469
   29    HA   SER   4           HA       SER   4   6.466   7.707  -3.375
   30    HB2  SER   4           HB2      SER   4   8.550   7.699  -1.898
   31    HB3  SER   4           HB1      SER   4   7.175   6.775  -1.292
   32    HG   SER   4           HG       SER   4   9.281   5.624  -2.807
   33    HA   PRO   5           HA       PRO   5   9.082   8.374  -6.911
   34    HB2  PRO   5           HB2      PRO   5   9.323  11.057  -6.737
   35    HB3  PRO   5           HB1      PRO   5   7.866  10.246  -7.330
   36    HG2  PRO   5           HG2      PRO   5   8.426  11.428  -4.636
   37    HG3  PRO   5           HG1      PRO   5   6.937  11.489  -5.593
   38    HD2  PRO   5           HD2      PRO   5   7.295   9.783  -3.505
   39    HD3  PRO   5           HD1      PRO   5   6.256   9.411  -4.895
   40    H    CYS   6           HN       CYS   6  10.526   7.388  -4.886
   41    HA   CYS   6           HA       CYS   6  13.117   8.331  -5.374
   42    HB2  CYS   6           HB2      CYS   6  12.353  10.177  -3.860
   43    HB3  CYS   6           HB1      CYS   6  12.090   8.981  -2.596
   44    HA   PRO   7           HA       PRO   7  14.144   6.866  -6.331
   45    HB2  PRO   7           HB2      PRO   7  13.562   4.145  -7.246
   46    HB3  PRO   7           HB1      PRO   7  15.115   4.972  -7.135
   47    HG2  PRO   7           HG2      PRO   7  14.440   2.932  -5.495
   48    HG3  PRO   7           HG1      PRO   7  15.490   4.264  -4.980
   49    HD2  PRO   7           HD2      PRO   7  12.583   3.820  -4.436
   50    HD3  PRO   7           HD1      PRO   7  13.858   4.401  -3.344
   51    HA   PRO   8           HA       PRO   8  14.481   6.804  -8.290
   52    HB2  PRO   8           HB2      PRO   8  14.170   7.075 -10.863
   53    HB3  PRO   8           HB1      PRO   8  13.772   5.515 -10.126
   54    HG2  PRO   8           HG2      PRO   8  11.947   7.626 -11.150
   55    HG3  PRO   8           HG1      PRO   8  11.670   5.895 -11.075
   56    HD2  PRO   8           HD2      PRO   8  10.884   7.920  -9.175
   57    HD3  PRO   8           HD1      PRO   8  10.515   6.197  -9.101
   58    H    PHE   9           HN       PHE   9  12.734   9.089  -7.248
   59    HA   PHE   9           HA       PHE   9  14.038  11.033  -8.958
   60    HB2  PHE   9           HB2      PHE   9  11.330  11.519  -7.691
   61    HB3  PHE   9           HB1      PHE   9  12.205  12.648  -8.715
   62    HD1  PHE   9           HD1      PHE   9   9.444  10.813  -8.767
   63    HD2  PHE   9           HD2      PHE   9  13.081  11.109 -10.963
   64    HE1  PHE   9           HE1      PHE   9   8.354   9.789 -10.717
   65    HE2  PHE   9           HE2      PHE   9  11.988  10.100 -12.920
   66    HZ   PHE   9           HZ       PHE   9   9.621   9.434 -12.795
   67    H    CYS  10           HN       CYS  10  15.733  10.865  -7.403
   68    HA   CYS  10           HA       CYS  10  15.439  13.029  -5.471
   69    HB2  CYS  10           HB2      CYS  10  16.320  10.251  -4.815
   70    HB3  CYS  10           HB1      CYS  10  17.087  11.597  -3.983
   71    HN1  NH2  11           H1       CYS  10  16.591  14.379  -6.761
   72    HN2  NH2  11           H2       CYS  10  18.261  14.149  -7.142
  Start of MODEL   15
    1    H1   GLY   1           HT1      GLY   1   3.783  -1.189  -0.943
    2    H2   GLY   1           HT2      GLY   1   3.874  -1.534   0.709
    3    H3   GLY   1           HT3      GLY   1   4.556  -0.115   0.100
    4    HA2  GLY   1           HA1      GLY   1   1.667  -0.758   0.072
    5    HA3  GLY   1           HA2      GLY   1   2.449   0.303   1.233
    6    H    PHE   2           HN       PHE   2   3.618   2.200   0.299
    7    HA   PHE   2           HA       PHE   2   2.059   3.307  -1.911
    8    HB2  PHE   2           HB2      PHE   2   2.022   4.500   0.269
    9    HB3  PHE   2           HB1      PHE   2   3.773   4.659   0.178
   10    HD1  PHE   2           HD1      PHE   2   0.587   5.775  -1.231
   11    HD2  PHE   2           HD2      PHE   2   4.802   6.277  -1.207
   12    HE1  PHE   2           HE1      PHE   2   0.331   7.899  -2.449
   13    HE2  PHE   2           HE2      PHE   2   4.563   8.410  -2.421
   14    HZ   PHE   2           HZ       PHE   2   2.321   9.220  -3.044
   15    H    ARG   3           HN       ARG   3   3.075   3.843  -3.819
   16    HA   ARG   3           HA       ARG   3   5.867   3.246  -4.076
   17    HB2  ARG   3           HB2      ARG   3   4.200   2.621  -5.732
   18    HB3  ARG   3           HB1      ARG   3   3.832   4.324  -5.967
   19    HG2  ARG   3           HG2      ARG   3   6.151   4.674  -6.738
   20    HG3  ARG   3           HG1      ARG   3   6.410   2.928  -6.623
   21    HD2  ARG   3           HD2      ARG   3   4.585   2.557  -8.170
   22    HD3  ARG   3           HD1      ARG   3   4.322   4.295  -8.280
   23    HE   ARG   3           HE       ARG   3   7.003   3.519  -8.958
   24   HH11  ARG   3          HH11      ARG   3   3.752   3.910 -10.219
   25   HH12  ARG   3          HH12      ARG   3   4.262   4.047 -11.865
   26   HH21  ARG   3          HH21      ARG   3   7.681   3.699 -11.133
   27   HH22  ARG   3          HH22      ARG   3   6.519   3.930 -12.392
   28    H    SER   4           HN       SER   4   6.932   4.832  -2.939
   29    HA   SER   4           HA       SER   4   6.405   7.613  -3.406
   30    HB2  SER   4           HB2      SER   4   8.461   7.913  -1.960
   31    HB3  SER   4           HB1      SER   4   7.146   7.014  -1.205
   32    HG   SER   4           HG       SER   4   9.151   5.982  -0.884
   33    HA   PRO   5           HA       PRO   5   9.011   7.952  -7.000
   34    HB2  PRO   5           HB2      PRO   5   9.287  10.635  -6.998
   35    HB3  PRO   5           HB1      PRO   5   7.804   9.822  -7.523
   36    HG2  PRO   5           HG2      PRO   5   8.445  11.129  -4.907
   37    HG3  PRO   5           HG1      PRO   5   6.948  11.201  -5.852
   38    HD2  PRO   5           HD2      PRO   5   7.231   9.606  -3.695
   39    HD3  PRO   5           HD1      PRO   5   6.217   9.167  -5.087
   40    H    CYS   6           HN       CYS   6  10.383   7.344  -4.551
   41    HA   CYS   6           HA       CYS   6  12.954   8.492  -5.205
   42    HB2  CYS   6           HB2      CYS   6  11.960  10.137  -3.638
   43    HB3  CYS   6           HB1      CYS   6  11.783   8.863  -2.436
   44    HA   PRO   7           HA       PRO   7  14.119   7.248  -6.287
   45    HB2  PRO   7           HB2      PRO   7  14.001   4.492  -7.287
   46    HB3  PRO   7           HB1      PRO   7  15.391   5.573  -7.166
   47    HG2  PRO   7           HG2      PRO   7  15.125   3.411  -5.591
   48    HG3  PRO   7           HG1      PRO   7  15.894   4.904  -5.023
   49    HD2  PRO   7           HD2      PRO   7  13.113   3.901  -4.545
   50    HD3  PRO   7           HD1      PRO   7  14.258   4.632  -3.399
   51    HA   PRO   8           HA       PRO   8  14.502   6.846  -8.458
   52    HB2  PRO   8           HB2      PRO   8  14.065   7.058 -10.995
   53    HB3  PRO   8           HB1      PRO   8  13.655   5.516 -10.225
   54    HG2  PRO   8           HG2      PRO   8  11.842   7.758 -11.037
   55    HG3  PRO   8           HG1      PRO   8  11.568   6.025 -11.207
   56    HD2  PRO   8           HD2      PRO   8  10.676   7.679  -9.087
   57    HD3  PRO   8           HD1      PRO   8  10.635   5.916  -9.109
   58    H    PHE   9           HN       PHE   9  12.730   9.109  -7.356
   59    HA   PHE   9           HA       PHE   9  14.068  11.057  -9.042
   60    HB2  PHE   9           HB2      PHE   9  11.324  11.539  -7.838
   61    HB3  PHE   9           HB1      PHE   9  12.229  12.676  -8.826
   62    HD1  PHE   9           HD1      PHE   9   9.476  10.777  -8.936
   63    HD2  PHE   9           HD2      PHE   9  13.106  11.248 -11.112
   64    HE1  PHE   9           HE1      PHE   9   8.407   9.812 -10.929
   65    HE2  PHE   9           HE2      PHE   9  12.037  10.298 -13.111
   66    HZ   PHE   9           HZ       PHE   9   9.685   9.574 -13.022
   67    H    CYS  10           HN       CYS  10  15.687  10.801  -7.410
   68    HA   CYS  10           HA       CYS  10  15.455  12.967  -5.499
   69    HB2  CYS  10           HB2      CYS  10  15.952  10.120  -4.722
   70    HB3  CYS  10           HB1      CYS  10  16.779  11.399  -3.841
   71    HN1  NH2  11           H1       CYS  10  16.856  14.095  -6.779
   72    HN2  NH2  11           H2       CYS  10  18.521  13.674  -6.966
  Start of MODEL   16
    1    H1   GLY   1           HT1      GLY   1   2.633   1.086   3.528
    2    H2   GLY   1           HT2      GLY   1   2.810  -0.583   3.728
    3    H3   GLY   1           HT3      GLY   1   1.525   0.032   2.816
    4    HA2  GLY   1           HA1      GLY   1   4.388   0.235   2.114
    5    HA3  GLY   1           HA2      GLY   1   3.227  -0.860   1.379
    6    H    PHE   2           HN       PHE   2   4.772   2.027   1.012
    7    HA   PHE   2           HA       PHE   2   2.764   2.945  -0.895
    8    HB2  PHE   2           HB2      PHE   2   2.711   4.320   1.189
    9    HB3  PHE   2           HB1      PHE   2   4.415   4.683   0.946
   10    HD1  PHE   2           HD1      PHE   2   1.022   5.390  -0.092
   11    HD2  PHE   2           HD2      PHE   2   5.128   6.118  -0.865
   12    HE1  PHE   2           HE1      PHE   2   0.402   7.336  -1.469
   13    HE2  PHE   2           HE2      PHE   2   4.527   8.075  -2.247
   14    HZ   PHE   2           HZ       PHE   2   2.159   8.680  -2.547
   15    H    ARG   3           HN       ARG   3   3.641   3.227  -2.896
   16    HA   ARG   3           HA       ARG   3   6.489   3.021  -3.239
   17    HB2  ARG   3           HB2      ARG   3   4.938   1.889  -4.701
   18    HB3  ARG   3           HB1      ARG   3   4.203   3.434  -5.110
   19    HG2  ARG   3           HG2      ARG   3   6.387   4.132  -6.081
   20    HG3  ARG   3           HG1      ARG   3   6.961   2.479  -5.828
   21    HD2  ARG   3           HD2      ARG   3   5.195   1.623  -7.210
   22    HD3  ARG   3           HD1      ARG   3   4.526   3.240  -7.400
   23    HE   ARG   3           HE       ARG   3   7.217   3.206  -8.280
   24   HH11  ARG   3          HH11      ARG   3   4.026   2.121  -9.282
   25   HH12  ARG   3          HH12      ARG   3   4.417   2.110 -10.966
   26   HH21  ARG   3          HH21      ARG   3   7.727   3.202 -10.510
   27   HH22  ARG   3          HH22      ARG   3   6.536   2.735 -11.671
   28    H    SER   4           HN       SER   4   7.285   4.930  -2.370
   29    HA   SER   4           HA       SER   4   6.305   7.483  -3.291
   30    HB2  SER   4           HB2      SER   4   7.175   7.139  -0.967
   31    HB3  SER   4           HB1      SER   4   8.772   6.846  -1.649
   32    HG   SER   4           HG       SER   4   8.930   8.924  -1.328
   33    HA   PRO   5           HA       PRO   5   8.923   7.753  -6.900
   34    HB2  PRO   5           HB2      PRO   5   9.116  10.465  -7.028
   35    HB3  PRO   5           HB1      PRO   5   7.704   9.553  -7.592
   36    HG2  PRO   5           HG2      PRO   5   8.140  11.035  -5.028
   37    HG3  PRO   5           HG1      PRO   5   6.685  10.954  -6.036
   38    HD2  PRO   5           HD2      PRO   5   6.942   9.524  -3.778
   39    HD3  PRO   5           HD1      PRO   5   6.062   8.907  -5.193
   40    H    CYS   6           HN       CYS   6  10.374   7.281  -4.516
   41    HA   CYS   6           HA       CYS   6  12.889   8.527  -5.217
   42    HB2  CYS   6           HB2      CYS   6  11.852  10.140  -3.656
   43    HB3  CYS   6           HB1      CYS   6  11.706   8.868  -2.450
   44    HA   PRO   7           HA       PRO   7  14.123   7.301  -6.290
   45    HB2  PRO   7           HB2      PRO   7  14.430   4.975  -7.643
   46    HB3  PRO   7           HB1      PRO   7  15.627   5.548  -6.476
   47    HG2  PRO   7           HG2      PRO   7  13.438   3.537  -6.102
   48    HG3  PRO   7           HG1      PRO   7  15.141   3.434  -5.616
   49    HD2  PRO   7           HD2      PRO   7  13.194   4.101  -3.877
   50    HD3  PRO   7           HD1      PRO   7  14.827   4.788  -3.776
   51    HA   PRO   8           HA       PRO   8  14.525   6.873  -8.474
   52    HB2  PRO   8           HB2      PRO   8  14.077   7.105 -11.011
   53    HB3  PRO   8           HB1      PRO   8  13.709   5.545 -10.253
   54    HG2  PRO   8           HG2      PRO   8  11.837   7.757 -11.021
   55    HG3  PRO   8           HG1      PRO   8  11.613   6.023 -11.245
   56    HD2  PRO   8           HD2      PRO   8  10.642   7.566  -9.094
   57    HD3  PRO   8           HD1      PRO   8  10.712   5.803  -9.138
   58    H    PHE   9           HN       PHE   9  12.716   9.105  -7.355
   59    HA   PHE   9           HA       PHE   9  14.027  11.071  -9.044
   60    HB2  PHE   9           HB2      PHE   9  11.301  11.542  -7.800
   61    HB3  PHE   9           HB1      PHE   9  12.185  12.675  -8.810
   62    HD1  PHE   9           HD1      PHE   9   9.456  10.707  -8.848
   63    HD2  PHE   9           HD2      PHE   9  13.013  11.292 -11.116
   64    HE1  PHE   9           HE1      PHE   9   8.361   9.722 -10.816
   65    HE2  PHE   9           HE2      PHE   9  11.915  10.320 -13.090
   66    HZ   PHE   9           HZ       PHE   9   9.589   9.529 -12.939
   67    H    CYS  10           HN       CYS  10  15.666  10.795  -7.425
   68    HA   CYS  10           HA       CYS  10  15.508  12.982  -5.540
   69    HB2  CYS  10           HB2      CYS  10  15.912  10.135  -4.678
   70    HB3  CYS  10           HB1      CYS  10  16.690  11.440  -3.792
   71    HN1  NH2  11           H1       CYS  10  17.007  14.056  -6.696
   72    HN2  NH2  11           H2       CYS  10  18.636  13.526  -6.916
  Start of MODEL   17
    1    H1   GLY   1           HT1      GLY   1   5.977  -1.110   0.160
    2    H2   GLY   1           HT2      GLY   1   5.690  -2.735   0.531
    3    H3   GLY   1           HT3      GLY   1   4.482  -1.582   0.789
    4    HA2  GLY   1           HA1      GLY   1   5.582  -2.337  -1.853
    5    HA3  GLY   1           HA2      GLY   1   4.058  -2.915  -1.192
    6    H    PHE   2           HN       PHE   2   5.722   0.219  -1.567
    7    HA   PHE   2           HA       PHE   2   3.324   1.282  -2.844
    8    HB2  PHE   2           HB2      PHE   2   3.278   1.943  -0.474
    9    HB3  PHE   2           HB1      PHE   2   4.925   2.547  -0.603
   10    HD1  PHE   2           HD1      PHE   2   1.417   3.197  -1.304
   11    HD2  PHE   2           HD2      PHE   2   5.398   4.607  -1.769
   12    HE1  PHE   2           HE1      PHE   2   0.553   5.423  -1.895
   13    HE2  PHE   2           HE2      PHE   2   4.542   6.844  -2.358
   14    HZ   PHE   2           HZ       PHE   2   2.117   7.250  -2.420
   15    H    ARG   3           HN       ARG   3   3.830   2.574  -4.603
   16    HA   ARG   3           HA       ARG   3   6.627   2.815  -5.268
   17    HB2  ARG   3           HB2      ARG   3   4.097   3.500  -6.696
   18    HB3  ARG   3           HB1      ARG   3   5.685   3.883  -7.351
   19    HG2  ARG   3           HG2      ARG   3   4.750   1.126  -6.621
   20    HG3  ARG   3           HG1      ARG   3   4.706   1.792  -8.256
   21    HD2  ARG   3           HD2      ARG   3   7.190   1.435  -6.574
   22    HD3  ARG   3           HD1      ARG   3   6.667   0.338  -7.848
   23    HE   ARG   3           HE       ARG   3   7.062   3.103  -8.648
   24   HH11  ARG   3          HH11      ARG   3   8.499  -0.083  -8.343
   25   HH12  ARG   3          HH12      ARG   3   9.690   0.193  -9.562
   26   HH21  ARG   3          HH21      ARG   3   8.654   3.477 -10.259
   27   HH22  ARG   3          HH22      ARG   3   9.780   2.228 -10.651
   28    H    SER   4           HN       SER   4   7.373   4.251  -3.812
   29    HA   SER   4           HA       SER   4   6.319   6.968  -3.837
   30    HB2  SER   4           HB2      SER   4   7.010   5.904  -1.671
   31    HB3  SER   4           HB1      SER   4   8.660   5.815  -2.283
   32    HG   SER   4           HG       SER   4   8.834   7.730  -1.449
   33    HA   PRO   5           HA       PRO   5   9.151   7.961  -7.121
   34    HB2  PRO   5           HB2      PRO   5   8.996  10.659  -6.959
   35    HB3  PRO   5           HB1      PRO   5   7.741   9.646  -7.694
   36    HG2  PRO   5           HG2      PRO   5   7.853  10.872  -4.963
   37    HG3  PRO   5           HG1      PRO   5   6.476  10.751  -6.075
   38    HD2  PRO   5           HD2      PRO   5   6.800   9.094  -3.965
   39    HD3  PRO   5           HD1      PRO   5   6.033   8.573  -5.480
   40    H    CYS   6           HN       CYS   6  10.568   7.220  -4.935
   41    HA   CYS   6           HA       CYS   6  12.989   8.618  -5.277
   42    HB2  CYS   6           HB2      CYS   6  11.956  10.293  -3.826
   43    HB3  CYS   6           HB1      CYS   6  11.580   9.055  -2.633
   44    HA   PRO   7           HA       PRO   7  14.142   7.321  -6.359
   45    HB2  PRO   7           HB2      PRO   7  14.432   4.935  -7.605
   46    HB3  PRO   7           HB1      PRO   7  15.652   5.579  -6.501
   47    HG2  PRO   7           HG2      PRO   7  13.508   3.554  -5.977
   48    HG3  PRO   7           HG1      PRO   7  15.219   3.512  -5.511
   49    HD2  PRO   7           HD2      PRO   7  13.273   4.230  -3.787
   50    HD3  PRO   7           HD1      PRO   7  14.898   4.939  -3.729
   51    HA   PRO   8           HA       PRO   8  14.488   6.838  -8.552
   52    HB2  PRO   8           HB2      PRO   8  13.936   7.131 -11.058
   53    HB3  PRO   8           HB1      PRO   8  13.586   5.555 -10.326
   54    HG2  PRO   8           HG2      PRO   8  11.700   7.810 -10.941
   55    HG3  PRO   8           HG1      PRO   8  11.458   6.086 -11.227
   56    HD2  PRO   8           HD2      PRO   8  10.575   7.538  -8.987
   57    HD3  PRO   8           HD1      PRO   8  10.649   5.778  -9.087
   58    H    PHE   9           HN       PHE   9  12.745   9.024  -7.297
   59    HA   PHE   9           HA       PHE   9  13.970  11.046  -8.971
   60    HB2  PHE   9           HB2      PHE   9  11.231  11.406  -7.712
   61    HB3  PHE   9           HB1      PHE   9  12.100  12.628  -8.629
   62    HD1  PHE   9           HD1      PHE   9   9.393  10.692  -8.873
   63    HD2  PHE   9           HD2      PHE   9  13.026  11.334 -10.992
   64    HE1  PHE   9           HE1      PHE   9   8.349   9.825 -10.923
   65    HE2  PHE   9           HE2      PHE   9  11.984  10.477 -13.046
   66    HZ   PHE   9           HZ       PHE   9   9.644   9.718 -13.014
   67    H    CYS  10           HN       CYS  10  15.654  10.808  -7.420
   68    HA   CYS  10           HA       CYS  10  15.486  12.912  -5.453
   69    HB2  CYS  10           HB2      CYS  10  15.777  10.045  -4.688
   70    HB3  CYS  10           HB1      CYS  10  16.771  11.217  -3.832
   71    HN1  NH2  11           H1       CYS  10  16.872  13.838  -7.019
   72    HN2  NH2  11           H2       CYS  10  18.547  13.414  -7.085
  Start of MODEL   18
    1    H1   GLY   1           HT1      GLY   1   3.552   2.896   3.448
    2    H2   GLY   1           HT2      GLY   1   2.515   1.904   4.337
    3    H3   GLY   1           HT3      GLY   1   1.957   3.371   3.727
    4    HA2  GLY   1           HA1      GLY   1   2.810   1.045   2.113
    5    HA3  GLY   1           HA2      GLY   1   1.146   1.514   2.419
    6    H    PHE   2           HN       PHE   2   2.973   4.303   2.160
    7    HA   PHE   2           HA       PHE   2   1.968   4.801  -0.501
    8    HB2  PHE   2           HB2      PHE   2   1.794   6.445   1.422
    9    HB3  PHE   2           HB1      PHE   2   3.547   6.611   1.319
   10    HD1  PHE   2           HD1      PHE   2   0.367   7.376  -0.257
   11    HD2  PHE   2           HD2      PHE   2   4.588   7.757  -0.526
   12    HE1  PHE   2           HE1      PHE   2   0.092   9.130  -1.968
   13    HE2  PHE   2           HE2      PHE   2   4.331   9.512  -2.236
   14    HZ   PHE   2           HZ       PHE   2   2.078  10.200  -2.959
   15    H    ARG   3           HN       ARG   3   3.235   4.642  -2.300
   16    HA   ARG   3           HA       ARG   3   6.038   4.176  -1.953
   17    HB2  ARG   3           HB2      ARG   3   4.752   2.903  -3.542
   18    HB3  ARG   3           HB1      ARG   3   4.262   4.392  -4.338
   19    HG2  ARG   3           HG2      ARG   3   6.502   4.815  -5.066
   20    HG3  ARG   3           HG1      ARG   3   7.097   3.424  -4.157
   21    HD2  ARG   3           HD2      ARG   3   5.831   1.930  -5.516
   22    HD3  ARG   3           HD1      ARG   3   5.063   3.279  -6.347
   23    HE   ARG   3           HE       ARG   3   7.460   3.831  -7.071
   24   HH11  ARG   3          HH11      ARG   3   6.297   0.558  -6.580
   25   HH12  ARG   3          HH12      ARG   3   7.397  -0.133  -7.719
   26   HH21  ARG   3          HH21      ARG   3   8.900   2.914  -8.571
   27   HH22  ARG   3          HH22      ARG   3   8.878   1.210  -8.864
   28    H    SER   4           HN       SER   4   7.064   5.991  -1.394
   29    HA   SER   4           HA       SER   4   6.614   8.551  -2.521
   30    HB2  SER   4           HB2      SER   4   7.713   8.263  -0.342
   31    HB3  SER   4           HB1      SER   4   9.038   7.390  -1.106
   32    HG   SER   4           HG       SER   4   8.420  10.129  -1.172
   33    HA   PRO   5           HA       PRO   5   8.633   7.965  -6.483
   34    HB2  PRO   5           HB2      PRO   5   9.266  10.553  -6.980
   35    HB3  PRO   5           HB1      PRO   5   7.642   9.881  -7.224
   36    HG2  PRO   5           HG2      PRO   5   8.735  11.506  -4.961
   37    HG3  PRO   5           HG1      PRO   5   7.142  11.600  -5.733
   38    HD2  PRO   5           HD2      PRO   5   7.519  10.384  -3.364
   39    HD3  PRO   5           HD1      PRO   5   6.320   9.814  -4.545
   40    H    CYS   6           HN       CYS   6  10.305   7.616  -4.170
   41    HA   CYS   6           HA       CYS   6  12.858   8.311  -5.389
   42    HB2  CYS   6           HB2      CYS   6  12.399  10.149  -3.851
   43    HB3  CYS   6           HB1      CYS   6  12.134   9.008  -2.537
   44    HA   PRO   7           HA       PRO   7  14.129   7.080  -6.275
   45    HB2  PRO   7           HB2      PRO   7  13.833   4.364  -7.333
   46    HB3  PRO   7           HB1      PRO   7  15.302   5.319  -7.125
   47    HG2  PRO   7           HG2      PRO   7  14.759   3.145  -5.613
   48    HG3  PRO   7           HG1      PRO   7  15.671   4.534  -4.998
   49    HD2  PRO   7           HD2      PRO   7  12.800   3.815  -4.581
   50    HD3  PRO   7           HD1      PRO   7  13.987   4.441  -3.417
   51    HA   PRO   8           HA       PRO   8  14.537   6.833  -8.366
   52    HB2  PRO   8           HB2      PRO   8  14.221   7.077 -10.923
   53    HB3  PRO   8           HB1      PRO   8  13.750   5.532 -10.189
   54    HG2  PRO   8           HG2      PRO   8  12.019   7.799 -11.087
   55    HG3  PRO   8           HG1      PRO   8  11.707   6.075 -11.239
   56    HD2  PRO   8           HD2      PRO   8  10.802   7.806  -9.170
   57    HD3  PRO   8           HD1      PRO   8  10.645   6.050  -9.193
   58    H    PHE   9           HN       PHE   9  12.729   9.088  -7.330
   59    HA   PHE   9           HA       PHE   9  14.062  11.055  -8.992
   60    HB2  PHE   9           HB2      PHE   9  11.346  11.492  -7.718
   61    HB3  PHE   9           HB1      PHE   9  12.221  12.664  -8.690
   62    HD1  PHE   9           HD1      PHE   9   9.466  10.804  -8.829
   63    HD2  PHE   9           HD2      PHE   9  13.113  11.239 -10.994
   64    HE1  PHE   9           HE1      PHE   9   8.395   9.863 -10.835
   65    HE2  PHE   9           HE2      PHE   9  12.040  10.315 -13.001
   66    HZ   PHE   9           HZ       PHE   9   9.683   9.620 -12.923
   67    H    CYS  10           HN       CYS  10  15.712  10.754  -7.384
   68    HA   CYS  10           HA       CYS  10  15.425  12.907  -5.432
   69    HB2  CYS  10           HB2      CYS  10  16.372  10.133  -4.889
   70    HB3  CYS  10           HB1      CYS  10  17.182  11.458  -4.060
   71    HN1  NH2  11           H1       CYS  10  16.439  14.291  -6.803
   72    HN2  NH2  11           H2       CYS  10  18.110  14.168  -7.223
  Start of MODEL   19
    1    H1   GLY   1           HT1      GLY   1   2.960   0.057   3.352
    2    H2   GLY   1           HT2      GLY   1   4.079  -1.163   3.698
    3    H3   GLY   1           HT3      GLY   1   3.151  -1.240   2.287
    4    HA2  GLY   1           HA1      GLY   1   5.195   0.803   2.894
    5    HA3  GLY   1           HA2      GLY   1   5.397  -0.551   1.795
    6    H    PHE   2           HN       PHE   2   5.199   2.543   1.626
    7    HA   PHE   2           HA       PHE   2   3.212   2.686  -0.520
    8    HB2  PHE   2           HB2      PHE   2   2.954   4.247   1.419
    9    HB3  PHE   2           HB1      PHE   2   4.554   4.887   1.056
   10    HD1  PHE   2           HD1      PHE   2   1.072   4.737   0.003
   11    HD2  PHE   2           HD2      PHE   2   4.921   6.333  -0.808
   12    HE1  PHE   2           HE1      PHE   2   0.061   6.365  -1.544
   13    HE2  PHE   2           HE2      PHE   2   3.925   7.967  -2.357
   14    HZ   PHE   2           HZ       PHE   2   1.490   7.983  -2.725
   15    H    ARG   3           HN       ARG   3   3.959   3.087  -2.599
   16    HA   ARG   3           HA       ARG   3   6.793   3.242  -2.963
   17    HB2  ARG   3           HB2      ARG   3   5.396   1.852  -4.360
   18    HB3  ARG   3           HB1      ARG   3   4.490   3.278  -4.854
   19    HG2  ARG   3           HG2      ARG   3   6.593   4.197  -5.802
   20    HG3  ARG   3           HG1      ARG   3   7.353   2.636  -5.467
   21    HD2  ARG   3           HD2      ARG   3   5.824   1.516  -6.881
   22    HD3  ARG   3           HD1      ARG   3   4.867   2.982  -7.081
   23    HE   ARG   3           HE       ARG   3   7.636   3.129  -7.942
   24   HH11  ARG   3          HH11      ARG   3   4.294   2.619  -8.888
   25   HH12  ARG   3          HH12      ARG   3   4.566   3.028 -10.546
   26   HH21  ARG   3          HH21      ARG   3   7.998   3.652 -10.143
   27   HH22  ARG   3          HH22      ARG   3   6.683   3.624 -11.264
   28    H    SER   4           HN       SER   4   7.457   5.235  -2.303
   29    HA   SER   4           HA       SER   4   6.221   7.624  -3.379
   30    HB2  SER   4           HB2      SER   4   8.118   8.726  -2.062
   31    HB3  SER   4           HB1      SER   4   6.939   7.820  -1.114
   32    HG   SER   4           HG       SER   4   8.550   6.694  -0.425
   33    HA   PRO   5           HA       PRO   5   8.925   8.010  -6.885
   34    HB2  PRO   5           HB2      PRO   5   9.299  10.688  -6.985
   35    HB3  PRO   5           HB1      PRO   5   7.796   9.895  -7.493
   36    HG2  PRO   5           HG2      PRO   5   8.458  11.285  -4.922
   37    HG3  PRO   5           HG1      PRO   5   6.967  11.360  -5.878
   38    HD2  PRO   5           HD2      PRO   5   7.176   9.849  -3.662
   39    HD3  PRO   5           HD1      PRO   5   6.188   9.360  -5.053
   40    H    CYS   6           HN       CYS   6  10.364   7.400  -4.509
   41    HA   CYS   6           HA       CYS   6  12.949   8.418  -5.284
   42    HB2  CYS   6           HB2      CYS   6  12.141  10.155  -3.738
   43    HB3  CYS   6           HB1      CYS   6  11.908   8.934  -2.489
   44    HA   PRO   7           HA       PRO   7  14.125   7.157  -6.293
   45    HB2  PRO   7           HB2      PRO   7  13.902   4.403  -7.287
   46    HB3  PRO   7           HB1      PRO   7  15.333   5.428  -7.159
   47    HG2  PRO   7           HG2      PRO   7  14.973   3.282  -5.576
   48    HG3  PRO   7           HG1      PRO   7  15.795   4.748  -5.008
   49    HD2  PRO   7           HD2      PRO   7  12.972   3.859  -4.545
   50    HD3  PRO   7           HD1      PRO   7  14.138   4.548  -3.394
   51    HA   PRO   8           HA       PRO   8  14.500   6.824  -8.434
   52    HB2  PRO   8           HB2      PRO   8  14.095   7.060 -10.976
   53    HB3  PRO   8           HB1      PRO   8  13.656   5.515 -10.224
   54    HG2  PRO   8           HG2      PRO   8  11.879   7.792 -11.033
   55    HG3  PRO   8           HG1      PRO   8  11.587   6.064 -11.229
   56    HD2  PRO   8           HD2      PRO   8  10.690   7.701  -9.100
   57    HD3  PRO   8           HD1      PRO   8  10.625   5.941  -9.140
   58    H    PHE   9           HN       PHE   9  12.738   9.097  -7.328
   59    HA   PHE   9           HA       PHE   9  14.074  11.047  -9.011
   60    HB2  PHE   9           HB2      PHE   9  11.341  11.532  -7.790
   61    HB3  PHE   9           HB1      PHE   9  12.250  12.677  -8.763
   62    HD1  PHE   9           HD1      PHE   9   9.508  10.746  -8.883
   63    HD2  PHE   9           HD2      PHE   9  13.109  11.326 -11.079
   64    HE1  PHE   9           HE1      PHE   9   8.438   9.805 -10.885
   65    HE2  PHE   9           HE2      PHE   9  12.036  10.401 -13.088
   66    HZ   PHE   9           HZ       PHE   9   9.699   9.636 -12.991
   67    H    CYS  10           HN       CYS  10  15.715  10.802  -7.394
   68    HA   CYS  10           HA       CYS  10  15.440  12.971  -5.473
   69    HB2  CYS  10           HB2      CYS  10  16.130  10.152  -4.767
   70    HB3  CYS  10           HB1      CYS  10  16.940  11.456  -3.908
   71    HN1  NH2  11           H1       CYS  10  16.715  14.255  -6.696
   72    HN2  NH2  11           H2       CYS  10  18.385  13.942  -7.010
  Start of MODEL   20
    1    H1   GLY   1           HT1      GLY   1   3.286  -1.334   0.452
    2    H2   GLY   1           HT2      GLY   1   3.215  -2.948  -0.047
    3    H3   GLY   1           HT3      GLY   1   1.890  -1.926  -0.292
    4    HA2  GLY   1           HA1      GLY   1   4.543  -1.637  -1.574
    5    HA3  GLY   1           HA2      GLY   1   3.101  -2.278  -2.348
    6    H    PHE   2           HN       PHE   2   4.771   0.563  -1.287
    7    HA   PHE   2           HA       PHE   2   2.655   2.220  -2.458
    8    HB2  PHE   2           HB2      PHE   2   2.925   2.583  -0.042
    9    HB3  PHE   2           HB1      PHE   2   4.641   2.881  -0.278
   10    HD1  PHE   2           HD1      PHE   2   1.284   4.241  -0.588
   11    HD2  PHE   2           HD2      PHE   2   5.416   4.933  -1.276
   12    HE1  PHE   2           HE1      PHE   2   0.824   6.638  -0.882
   13    HE2  PHE   2           HE2      PHE   2   4.969   7.338  -1.567
   14    HZ   PHE   2           HZ       PHE   2   2.670   8.191  -1.371
   15    H    ARG   3           HN       ARG   3   3.240   3.447  -4.190
   16    HA   ARG   3           HA       ARG   3   5.969   3.337  -5.067
   17    HB2  ARG   3           HB2      ARG   3   3.390   4.218  -6.173
   18    HB3  ARG   3           HB1      ARG   3   4.860   4.875  -6.881
   19    HG2  ARG   3           HG2      ARG   3   4.198   1.960  -6.603
   20    HG3  ARG   3           HG1      ARG   3   4.056   2.907  -8.090
   21    HD2  ARG   3           HD2      ARG   3   6.561   2.291  -6.540
   22    HD3  ARG   3           HD1      ARG   3   6.118   1.662  -8.124
   23    HE   ARG   3           HE       ARG   3   6.258   4.533  -8.078
   24   HH11  ARG   3          HH11      ARG   3   8.184   1.630  -8.385
   25   HH12  ARG   3          HH12      ARG   3   9.455   2.426  -9.246
   26   HH21  ARG   3          HH21      ARG   3   7.907   5.571  -9.218
   27   HH22  ARG   3          HH22      ARG   3   9.283   4.660  -9.752
   28    H    SER   4           HN       SER   4   7.022   4.566  -3.546
   29    HA   SER   4           HA       SER   4   6.435   7.405  -3.432
   30    HB2  SER   4           HB2      SER   4   8.574   7.317  -1.949
   31    HB3  SER   4           HB1      SER   4   7.092   6.591  -1.324
   32    HG   SER   4           HG       SER   4   9.245   5.225  -2.595
   33    HA   PRO   5           HA       PRO   5   9.108   8.005  -6.971
   34    HB2  PRO   5           HB2      PRO   5   9.105  10.701  -6.951
   35    HB3  PRO   5           HB1      PRO   5   7.751   9.732  -7.558
   36    HG2  PRO   5           HG2      PRO   5   8.089  11.098  -4.912
   37    HG3  PRO   5           HG1      PRO   5   6.648  10.998  -5.938
   38    HD2  PRO   5           HD2      PRO   5   7.007   9.438  -3.757
   39    HD3  PRO   5           HD1      PRO   5   6.106   8.898  -5.187
   40    H    CYS   6           HN       CYS   6  10.554   7.279  -4.856
   41    HA   CYS   6           HA       CYS   6  13.030   8.560  -5.276
   42    HB2  CYS   6           HB2      CYS   6  12.046  10.256  -3.782
   43    HB3  CYS   6           HB1      CYS   6  11.733   9.015  -2.576
   44    HA   PRO   7           HA       PRO   7  14.138   7.209  -6.368
   45    HB2  PRO   7           HB2      PRO   7  14.299   4.843  -7.647
   46    HB3  PRO   7           HB1      PRO   7  15.530   5.356  -6.487
   47    HG2  PRO   7           HG2      PRO   7  13.185   3.534  -6.065
   48    HG3  PRO   7           HG1      PRO   7  14.878   3.281  -5.604
   49    HD2  PRO   7           HD2      PRO   7  13.049   4.147  -3.838
   50    HD3  PRO   7           HD1      PRO   7  14.730   4.717  -3.792
   51    HA   PRO   8           HA       PRO   8  14.472   6.793  -8.493
   52    HB2  PRO   8           HB2      PRO   8  13.991   7.096 -11.028
   53    HB3  PRO   8           HB1      PRO   8  13.628   5.523 -10.298
   54    HG2  PRO   8           HG2      PRO   8  11.754   7.745 -11.021
   55    HG3  PRO   8           HG1      PRO   8  11.517   6.012 -11.226
   56    HD2  PRO   8           HD2      PRO   8  10.607   7.594  -9.068
   57    HD3  PRO   8           HD1      PRO   8  10.610   5.835  -9.109
   58    H    PHE   9           HN       PHE   9  12.753   9.023  -7.296
   59    HA   PHE   9           HA       PHE   9  14.018  11.021  -8.971
   60    HB2  PHE   9           HB2      PHE   9  11.273  11.422  -7.750
   61    HB3  PHE   9           HB1      PHE   9  12.155  12.616  -8.690
   62    HD1  PHE   9           HD1      PHE   9   9.452  10.652  -8.889
   63    HD2  PHE   9           HD2      PHE   9  13.082  11.294 -11.018
   64    HE1  PHE   9           HE1      PHE   9   8.426   9.723 -10.925
   65    HE2  PHE   9           HE2      PHE   9  12.056  10.381 -13.057
   66    HZ   PHE   9           HZ       PHE   9   9.726   9.592 -13.011
   67    H    CYS  10           HN       CYS  10  15.689  10.824  -7.393
   68    HA   CYS  10           HA       CYS  10  15.453  12.972  -5.464
   69    HB2  CYS  10           HB2      CYS  10  15.939  10.133  -4.682
   70    HB3  CYS  10           HB1      CYS  10  16.845  11.387  -3.844
   71    HN1  NH2  11           H1       CYS  10  16.749  13.868  -7.184
   72    HN2  NH2  11           H2       CYS  10  18.449  13.562  -7.214
  Start of MODEL   21
    1    H1   GLY   1           HT1      GLY   1  -0.186   1.093   0.637
    2    H2   GLY   1           HT2      GLY   1   0.674  -0.336   0.919
    3    H3   GLY   1           HT3      GLY   1   0.542   0.281  -0.651
    4    HA2  GLY   1           HA1      GLY   1   1.966   1.564   1.596
    5    HA3  GLY   1           HA2      GLY   1   2.720   0.722   0.248
    6    H    PHE   2           HN       PHE   2   3.072   3.479   1.060
    7    HA   PHE   2           HA       PHE   2   1.736   5.037  -0.974
    8    HB2  PHE   2           HB2      PHE   2   2.103   5.927   1.332
    9    HB3  PHE   2           HB1      PHE   2   3.838   5.828   1.040
   10    HD1  PHE   2           HD1      PHE   2   0.757   7.596   0.207
   11    HD2  PHE   2           HD2      PHE   2   4.960   7.396  -0.353
   12    HE1  PHE   2           HE1      PHE   2   0.729   9.865  -0.756
   13    HE2  PHE   2           HE2      PHE   2   4.950   9.667  -1.312
   14    HZ   PHE   2           HZ       PHE   2   2.829  10.902  -1.514
   15    H    ARG   3           HN       ARG   3   2.640   5.465  -2.915
   16    HA   ARG   3           HA       ARG   3   5.287   4.520  -3.461
   17    HB2  ARG   3           HB2      ARG   3   3.526   4.170  -5.030
   18    HB3  ARG   3           HB1      ARG   3   3.184   5.896  -5.050
   19    HG2  ARG   3           HG2      ARG   3   5.456   6.263  -5.991
   20    HG3  ARG   3           HG1      ARG   3   5.613   4.508  -6.142
   21    HD2  ARG   3           HD2      ARG   3   3.735   4.405  -7.591
   22    HD3  ARG   3           HD1      ARG   3   3.373   6.107  -7.311
   23    HE   ARG   3           HE       ARG   3   5.990   5.827  -8.353
   24   HH11  ARG   3          HH11      ARG   3   2.638   5.617  -9.360
   25   HH12  ARG   3          HH12      ARG   3   2.967   6.097 -10.988
   26   HH21  ARG   3          HH21      ARG   3   6.426   6.469 -10.490
   27   HH22  ARG   3          HH22      ARG   3   5.135   6.584 -11.635
   28    H    SER   4           HN       SER   4   6.692   5.873  -2.407
   29    HA   SER   4           HA       SER   4   6.567   8.725  -2.888
   30    HB2  SER   4           HB2      SER   4   7.320   7.764  -0.680
   31    HB3  SER   4           HB1      SER   4   8.742   7.125  -1.505
   32    HG   SER   4           HG       SER   4   7.993   9.853  -1.272
   33    HA   PRO   5           HA       PRO   5   8.910   8.284  -6.663
   34    HB2  PRO   5           HB2      PRO   5   9.546  10.898  -6.979
   35    HB3  PRO   5           HB1      PRO   5   7.967  10.212  -7.399
   36    HG2  PRO   5           HG2      PRO   5   8.800  11.769  -4.984
   37    HG3  PRO   5           HG1      PRO   5   7.279  11.841  -5.890
   38    HD2  PRO   5           HD2      PRO   5   7.536  10.536  -3.530
   39    HD3  PRO   5           HD1      PRO   5   6.401  10.030  -4.798
   40    H    CYS   6           HN       CYS   6  10.417   7.580  -4.449
   41    HA   CYS   6           HA       CYS   6  13.033   8.333  -5.372
   42    HB2  CYS   6           HB2      CYS   6  12.563  10.191  -3.861
   43    HB3  CYS   6           HB1      CYS   6  12.182   9.065  -2.563
   44    HA   PRO   7           HA       PRO   7  14.128   6.981  -6.343
   45    HB2  PRO   7           HB2      PRO   7  14.017   4.621  -7.677
   46    HB3  PRO   7           HB1      PRO   7  15.328   5.013  -6.557
   47    HG2  PRO   7           HG2      PRO   7  12.869   3.367  -6.086
   48    HG3  PRO   7           HG1      PRO   7  14.550   3.017  -5.639
   49    HD2  PRO   7           HD2      PRO   7  12.775   3.993  -3.865
   50    HD3  PRO   7           HD1      PRO   7  14.493   4.434  -3.816
   51    HA   PRO   8           HA       PRO   8  14.440   6.753  -8.406
   52    HB2  PRO   8           HB2      PRO   8  14.049   6.997 -10.959
   53    HB3  PRO   8           HB1      PRO   8  13.598   5.462 -10.197
   54    HG2  PRO   8           HG2      PRO   8  11.845   7.715 -11.087
   55    HG3  PRO   8           HG1      PRO   8  11.520   5.987 -11.170
   56    HD2  PRO   8           HD2      PRO   8  10.707   7.801  -9.127
   57    HD3  PRO   8           HD1      PRO   8  10.507   6.052  -9.103
   58    H    PHE   9           HN       PHE   9  12.766   9.092  -7.330
   59    HA   PHE   9           HA       PHE   9  14.171  10.996  -9.007
   60    HB2  PHE   9           HB2      PHE   9  11.430  11.584  -7.854
   61    HB3  PHE   9           HB1      PHE   9  12.385  12.668  -8.851
   62    HD1  PHE   9           HD1      PHE   9   9.584  10.833  -8.941
   63    HD2  PHE   9           HD2      PHE   9  13.225  11.208 -11.110
   64    HE1  PHE   9           HE1      PHE   9   8.504   9.864 -10.926
   65    HE2  PHE   9           HE2      PHE   9  12.147  10.256 -13.102
   66    HZ   PHE   9           HZ       PHE   9   9.782   9.577 -13.012
   67    H    CYS  10           HN       CYS  10  15.782  10.782  -7.349
   68    HA   CYS  10           HA       CYS  10  15.323  12.822  -5.297
   69    HB2  CYS  10           HB2      CYS  10  16.331  10.081  -4.914
   70    HB3  CYS  10           HB1      CYS  10  17.281  11.337  -4.126
   71    HN1  NH2  11           H1       CYS  10  16.370  14.504  -6.049
   72    HN2  NH2  11           H2       CYS  10  17.986  14.511  -6.655
  Start of MODEL   22
    1    H1   GLY   1           HT1      GLY   1   6.753  -0.595   1.248
    2    H2   GLY   1           HT2      GLY   1   6.362  -2.162   1.752
    3    H3   GLY   1           HT3      GLY   1   5.386  -0.861   2.202
    4    HA2  GLY   1           HA1      GLY   1   5.790  -1.767  -0.585
    5    HA3  GLY   1           HA2      GLY   1   4.404  -2.187   0.412
    6    H    PHE   2           HN       PHE   2   6.222   0.791  -0.407
    7    HA   PHE   2           HA       PHE   2   3.705   2.006  -1.216
    8    HB2  PHE   2           HB2      PHE   2   4.196   2.654   1.140
    9    HB3  PHE   2           HB1      PHE   2   5.753   3.277   0.608
   10    HD1  PHE   2           HD1      PHE   2   2.247   3.931   0.949
   11    HD2  PHE   2           HD2      PHE   2   5.827   5.214  -0.926
   12    HE1  PHE   2           HE1      PHE   2   1.214   6.121   0.506
   13    HE2  PHE   2           HE2      PHE   2   4.811   7.415  -1.374
   14    HZ   PHE   2           HZ       PHE   2   2.499   7.870  -0.657
   15    H    ARG   3           HN       ARG   3   3.982   2.870  -3.206
   16    HA   ARG   3           HA       ARG   3   6.667   3.212  -4.183
   17    HB2  ARG   3           HB2      ARG   3   3.962   3.383  -5.376
   18    HB3  ARG   3           HB1      ARG   3   5.362   3.996  -6.247
   19    HG2  ARG   3           HG2      ARG   3   5.028   1.190  -5.234
   20    HG3  ARG   3           HG1      ARG   3   4.779   1.707  -6.904
   21    HD2  ARG   3           HD2      ARG   3   7.357   1.848  -5.345
   22    HD3  ARG   3           HD1      ARG   3   6.975   0.697  -6.617
   23    HE   ARG   3           HE       ARG   3   7.219   3.611  -7.095
   24   HH11  ARG   3          HH11      ARG   3   7.729   0.285  -8.090
   25   HH12  ARG   3          HH12      ARG   3   8.566   0.717  -9.536
   26   HH21  ARG   3          HH21      ARG   3   8.315   4.177  -9.006
   27   HH22  ARG   3          HH22      ARG   3   8.907   2.940 -10.057
   28    H    SER   4           HN       SER   4   7.477   4.892  -3.102
   29    HA   SER   4           HA       SER   4   6.251   7.509  -3.584
   30    HB2  SER   4           HB2      SER   4   7.114   6.775  -1.246
   31    HB3  SER   4           HB1      SER   4   8.727   6.988  -1.923
   32    HG   SER   4           HG       SER   4   8.365   8.959  -1.193
   33    HA   PRO   5           HA       PRO   5   9.067   8.097  -6.964
   34    HB2  PRO   5           HB2      PRO   5   9.209  10.802  -6.996
   35    HB3  PRO   5           HB1      PRO   5   7.826   9.884  -7.616
   36    HG2  PRO   5           HG2      PRO   5   8.172  11.283  -4.988
   37    HG3  PRO   5           HG1      PRO   5   6.745  11.226  -6.041
   38    HD2  PRO   5           HD2      PRO   5   6.978   9.696  -3.825
   39    HD3  PRO   5           HD1      PRO   5   6.109   9.149  -5.273
   40    H    CYS   6           HN       CYS   6  10.513   7.316  -4.891
   41    HA   CYS   6           HA       CYS   6  13.034   8.471  -5.344
   42    HB2  CYS   6           HB2      CYS   6  12.193  10.259  -3.894
   43    HB3  CYS   6           HB1      CYS   6  11.802   9.082  -2.647
   44    HA   PRO   7           HA       PRO   7  14.137   7.153  -6.334
   45    HB2  PRO   7           HB2      PRO   7  14.285   4.760  -7.600
   46    HB3  PRO   7           HB1      PRO   7  15.535   5.320  -6.482
   47    HG2  PRO   7           HG2      PRO   7  13.273   3.419  -5.994
   48    HG3  PRO   7           HG1      PRO   7  14.971   3.287  -5.500
   49    HD2  PRO   7           HD2      PRO   7  13.027   4.106  -3.811
   50    HD3  PRO   7           HD1      PRO   7  14.693   4.711  -3.714
   51    HA   PRO   8           HA       PRO   8  14.478   6.809  -8.463
   52    HB2  PRO   8           HB2      PRO   8  14.006   7.117 -10.995
   53    HB3  PRO   8           HB1      PRO   8  13.649   5.539 -10.272
   54    HG2  PRO   8           HG2      PRO   8  11.764   7.750 -11.009
   55    HG3  PRO   8           HG1      PRO   8  11.530   6.014 -11.199
   56    HD2  PRO   8           HD2      PRO   8  10.637   7.628  -9.043
   57    HD3  PRO   8           HD1      PRO   8  10.599   5.867  -9.089
   58    H    PHE   9           HN       PHE   9  12.733   9.061  -7.272
   59    HA   PHE   9           HA       PHE   9  14.034  11.033  -8.950
   60    HB2  PHE   9           HB2      PHE   9  11.284  11.477  -7.755
   61    HB3  PHE   9           HB1      PHE   9  12.194  12.660  -8.686
   62    HD1  PHE   9           HD1      PHE   9   9.477  10.732  -8.932
   63    HD2  PHE   9           HD2      PHE   9  13.160  11.310 -10.982
   64    HE1  PHE   9           HE1      PHE   9   8.490   9.795 -10.976
   65    HE2  PHE   9           HE2      PHE   9  12.171  10.386 -13.031
   66    HZ   PHE   9           HZ       PHE   9   9.833   9.623 -13.029
   67    H    CYS  10           HN       CYS  10  15.692  10.830  -7.397
   68    HA   CYS  10           HA       CYS  10  15.465  12.953  -5.430
   69    HB2  CYS  10           HB2      CYS  10  16.048  10.108  -4.762
   70    HB3  CYS  10           HB1      CYS  10  16.981  11.347  -3.929
   71    HN1  NH2  11           H1       CYS  10  16.735  14.173  -6.769
   72    HN2  NH2  11           H2       CYS  10  18.403  13.835  -7.061
  Start of MODEL   23
    1    H1   GLY   1           HT1      GLY   1  -0.298  -0.408  -1.596
    2    H2   GLY   1           HT2      GLY   1   0.106  -1.842  -2.389
    3    H3   GLY   1           HT3      GLY   1  -0.327  -0.477  -3.283
    4    HA2  GLY   1           HA1      GLY   1   2.075  -0.717  -1.576
    5    HA3  GLY   1           HA2      GLY   1   2.055  -0.839  -3.331
    6    H    PHE   2           HN       PHE   2   3.098   1.140  -1.139
    7    HA   PHE   2           HA       PHE   2   1.899   3.615  -2.033
    8    HB2  PHE   2           HB2      PHE   2   2.593   3.158   0.358
    9    HB3  PHE   2           HB1      PHE   2   4.258   3.149  -0.207
   10    HD1  PHE   2           HD1      PHE   2   1.561   5.122   0.957
   11    HD2  PHE   2           HD2      PHE   2   5.156   5.267  -1.298
   12    HE1  PHE   2           HE1      PHE   2   1.675   7.560   1.310
   13    HE2  PHE   2           HE2      PHE   2   5.284   7.705  -0.954
   14    HZ   PHE   2           HZ       PHE   2   3.539   8.852   0.354
   15    H    ARG   3           HN       ARG   3   2.621   4.463  -3.946
   16    HA   ARG   3           HA       ARG   3   5.262   3.781  -4.859
   17    HB2  ARG   3           HB2      ARG   3   3.327   3.835  -6.329
   18    HB3  ARG   3           HB1      ARG   3   3.146   5.549  -5.980
   19    HG2  ARG   3           HG2      ARG   3   5.331   5.980  -6.983
   20    HG3  ARG   3           HG1      ARG   3   5.479   4.261  -7.368
   21    HD2  ARG   3           HD2      ARG   3   3.502   4.374  -8.730
   22    HD3  ARG   3           HD1      ARG   3   3.282   6.068  -8.304
   23    HE   ARG   3           HE       ARG   3   5.850   5.685  -9.443
   24   HH11  ARG   3          HH11      ARG   3   2.454   5.804 -10.373
   25   HH12  ARG   3          HH12      ARG   3   2.791   6.356 -11.975
   26   HH21  ARG   3          HH21      ARG   3   6.272   6.411 -11.591
   27   HH22  ARG   3          HH22      ARG   3   4.952   6.700 -12.670
   28    H    SER   4           HN       SER   4   6.667   4.830  -3.508
   29    HA   SER   4           HA       SER   4   6.502   7.721  -3.253
   30    HB2  SER   4           HB2      SER   4   7.170   6.328  -1.294
   31    HB3  SER   4           HB1      SER   4   8.583   5.780  -2.192
   32    HG   SER   4           HG       SER   4   9.295   7.451  -0.990
   33    HA   PRO   5           HA       PRO   5   8.994   8.066  -6.981
   34    HB2  PRO   5           HB2      PRO   5   9.280  10.745  -6.926
   35    HB3  PRO   5           HB1      PRO   5   7.786   9.947  -7.448
   36    HG2  PRO   5           HG2      PRO   5   8.469  11.190  -4.807
   37    HG3  PRO   5           HG1      PRO   5   6.964  11.307  -5.736
   38    HD2  PRO   5           HD2      PRO   5   7.243   9.652  -3.623
   39    HD3  PRO   5           HD1      PRO   5   6.215   9.255  -5.016
   40    H    CYS   6           HN       CYS   6  10.384   7.395  -4.550
   41    HA   CYS   6           HA       CYS   6  12.969   8.486  -5.241
   42    HB2  CYS   6           HB2      CYS   6  12.071  10.167  -3.671
   43    HB3  CYS   6           HB1      CYS   6  11.844   8.910  -2.460
   44    HA   PRO   7           HA       PRO   7  14.128   7.196  -6.329
   45    HB2  PRO   7           HB2      PRO   7  14.239   4.840  -7.678
   46    HB3  PRO   7           HB1      PRO   7  15.520   5.363  -6.579
   47    HG2  PRO   7           HG2      PRO   7  13.255   3.469  -6.079
   48    HG3  PRO   7           HG1      PRO   7  14.969   3.295  -5.657
   49    HD2  PRO   7           HD2      PRO   7  13.137   4.065  -3.850
   50    HD3  PRO   7           HD1      PRO   7  14.793   4.702  -3.833
   51    HA   PRO   8           HA       PRO   8  14.453   6.789  -8.484
   52    HB2  PRO   8           HB2      PRO   8  13.964   7.036 -11.026
   53    HB3  PRO   8           HB1      PRO   8  13.599   5.484 -10.254
   54    HG2  PRO   8           HG2      PRO   8  11.730   7.673 -11.065
   55    HG3  PRO   8           HG1      PRO   8  11.473   5.935 -11.153
   56    HD2  PRO   8           HD2      PRO   8  10.639   7.692  -9.081
   57    HD3  PRO   8           HD1      PRO   8  10.538   5.935  -9.051
   58    H    PHE   9           HN       PHE   9  12.767   9.084  -7.340
   59    HA   PHE   9           HA       PHE   9  14.104  11.024  -9.034
   60    HB2  PHE   9           HB2      PHE   9  11.375  11.563  -7.825
   61    HB3  PHE   9           HB1      PHE   9  12.289  12.653  -8.855
   62    HD1  PHE   9           HD1      PHE   9   9.508  10.786  -8.864
   63    HD2  PHE   9           HD2      PHE   9  13.095  11.173 -11.122
   64    HE1  PHE   9           HE1      PHE   9   8.390   9.793 -10.815
   65    HE2  PHE   9           HE2      PHE   9  11.978  10.192 -13.079
   66    HZ   PHE   9           HZ       PHE   9   9.623   9.497 -12.929
   67    H    CYS  10           HN       CYS  10  15.743  10.802  -7.379
   68    HA   CYS  10           HA       CYS  10  15.403  12.958  -5.450
   69    HB2  CYS  10           HB2      CYS  10  16.027  10.135  -4.729
   70    HB3  CYS  10           HB1      CYS  10  16.878  11.410  -3.864
   71    HN1  NH2  11           H1       CYS  10  16.646  13.967  -7.148
   72    HN2  NH2  11           H2       CYS  10  18.361  13.770  -7.171
  Start of MODEL   24
    1    H1   GLY   1           HT1      GLY   1   6.139  -2.598  -0.647
    2    H2   GLY   1           HT2      GLY   1   5.508  -4.115  -1.050
    3    H3   GLY   1           HT3      GLY   1   4.567  -3.008  -0.189
    4    HA2  GLY   1           HA1      GLY   1   5.512  -2.675  -2.971
    5    HA3  GLY   1           HA2      GLY   1   3.881  -3.112  -2.482
    6    H    PHE   2           HN       PHE   2   6.318  -0.585  -1.797
    7    HA   PHE   2           HA       PHE   2   4.130   1.355  -1.770
    8    HB2  PHE   2           HB2      PHE   2   5.655   0.960   0.290
    9    HB3  PHE   2           HB1      PHE   2   6.879   1.797  -0.661
   10    HD1  PHE   2           HD1      PHE   2   4.004   2.107   1.398
   11    HD2  PHE   2           HD2      PHE   2   6.435   4.145  -1.422
   12    HE1  PHE   2           HE1      PHE   2   3.074   4.257   2.167
   13    HE2  PHE   2           HE2      PHE   2   5.514   6.303  -0.663
   14    HZ   PHE   2           HZ       PHE   2   3.833   6.359   1.134
   15    H    ARG   3           HN       ARG   3   4.048   2.494  -3.646
   16    HA   ARG   3           HA       ARG   3   6.548   2.950  -5.057
   17    HB2  ARG   3           HB2      ARG   3   3.688   3.309  -5.748
   18    HB3  ARG   3           HB1      ARG   3   4.961   4.031  -6.724
   19    HG2  ARG   3           HG2      ARG   3   4.668   1.100  -6.126
   20    HG3  ARG   3           HG1      ARG   3   4.193   1.883  -7.635
   21    HD2  ARG   3           HD2      ARG   3   6.979   1.703  -6.491
   22    HD3  ARG   3           HD1      ARG   3   6.363   0.796  -7.865
   23    HE   ARG   3           HE       ARG   3   6.954   3.684  -7.820
   24   HH11  ARG   3          HH11      ARG   3   6.157   0.790  -9.647
   25   HH12  ARG   3          HH12      ARG   3   6.546   1.497 -11.174
   26   HH21  ARG   3          HH21      ARG   3   7.484   4.614  -9.836
   27   HH22  ARG   3          HH22      ARG   3   7.315   3.682 -11.286
   28    H    SER   4           HN       SER   4   7.610   4.513  -4.030
   29    HA   SER   4           HA       SER   4   6.275   7.137  -3.937
   30    HB2  SER   4           HB2      SER   4   7.915   7.814  -2.265
   31    HB3  SER   4           HB1      SER   4   7.166   6.311  -1.737
   32    HG   SER   4           HG       SER   4   9.629   6.663  -1.765
   33    HA   PRO   5           HA       PRO   5   9.123   8.250  -7.142
   34    HB2  PRO   5           HB2      PRO   5   9.317  10.888  -6.894
   35    HB3  PRO   5           HB1      PRO   5   7.801  10.109  -7.381
   36    HG2  PRO   5           HG2      PRO   5   8.614  11.206  -4.718
   37    HG3  PRO   5           HG1      PRO   5   7.045  11.311  -5.534
   38    HD2  PRO   5           HD2      PRO   5   7.656   9.501  -3.546
   39    HD3  PRO   5           HD1      PRO   5   6.381   9.273  -4.759
   40    H    CYS   6           HN       CYS   6  10.424   7.353  -4.739
   41    HA   CYS   6           HA       CYS   6  13.024   8.456  -5.219
   42    HB2  CYS   6           HB2      CYS   6  11.993  10.121  -3.659
   43    HB3  CYS   6           HB1      CYS   6  11.845   8.840  -2.461
   44    HA   PRO   7           HA       PRO   7  14.135   7.157  -6.278
   45    HB2  PRO   7           HB2      PRO   7  14.320   4.818  -7.630
   46    HB3  PRO   7           HB1      PRO   7  15.539   5.317  -6.451
   47    HG2  PRO   7           HG2      PRO   7  13.233   3.435  -6.104
   48    HG3  PRO   7           HG1      PRO   7  14.920   3.239  -5.592
   49    HD2  PRO   7           HD2      PRO   7  12.981   4.017  -3.887
   50    HD3  PRO   7           HD1      PRO   7  14.652   4.602  -3.749
   51    HA   PRO   8           HA       PRO   8  14.493   6.846  -8.423
   52    HB2  PRO   8           HB2      PRO   8  14.046   7.077 -10.964
   53    HB3  PRO   8           HB1      PRO   8  13.672   5.524 -10.196
   54    HG2  PRO   8           HG2      PRO   8  11.810   7.703 -11.052
   55    HG3  PRO   8           HG1      PRO   8  11.551   5.963 -11.127
   56    HD2  PRO   8           HD2      PRO   8  10.731   7.760  -9.065
   57    HD3  PRO   8           HD1      PRO   8  10.562   6.007  -9.039
   58    H    PHE   9           HN       PHE   9  12.723   9.130  -7.321
   59    HA   PHE   9           HA       PHE   9  14.057  11.060  -9.034
   60    HB2  PHE   9           HB2      PHE   9  11.335  11.593  -7.806
   61    HB3  PHE   9           HB1      PHE   9  12.238  12.690  -8.840
   62    HD1  PHE   9           HD1      PHE   9   9.467  10.799  -8.840
   63    HD2  PHE   9           HD2      PHE   9  13.050  11.221 -11.107
   64    HE1  PHE   9           HE1      PHE   9   8.354   9.792 -10.790
   65    HE2  PHE   9           HE2      PHE   9  11.937  10.228 -13.061
   66    HZ   PHE   9           HZ       PHE   9   9.586   9.509 -12.901
   67    H    CYS  10           HN       CYS  10  15.686  10.805  -7.394
   68    HA   CYS  10           HA       CYS  10  15.470  13.007  -5.515
   69    HB2  CYS  10           HB2      CYS  10  16.038  10.178  -4.709
   70    HB3  CYS  10           HB1      CYS  10  16.793  11.502  -3.833
   71    HN1  NH2  11           H1       CYS  10  16.940  14.262  -6.399
   72    HN2  NH2  11           H2       CYS  10  18.559  13.811  -6.792
  Start of MODEL   25
    1    H1   GLY   1           HT1      GLY   1   1.177   1.053  -0.110
    2    H2   GLY   1           HT2      GLY   1   0.101  -0.242  -0.217
    3    H3   GLY   1           HT3      GLY   1  -0.486   1.336  -0.176
    4    HA2  GLY   1           HA1      GLY   1   1.139   0.141  -2.339
    5    HA3  GLY   1           HA2      GLY   1  -0.589   0.433  -2.403
    6    H    PHE   2           HN       PHE   2   1.998   2.534  -1.118
    7    HA   PHE   2           HA       PHE   2   1.141   4.564  -3.036
    8    HB2  PHE   2           HB2      PHE   2   1.012   5.146  -0.614
    9    HB3  PHE   2           HB1      PHE   2   2.747   4.856  -0.495
   10    HD1  PHE   2           HD1      PHE   2   0.162   7.133  -1.626
   11    HD2  PHE   2           HD2      PHE   2   4.332   6.364  -1.525
   12    HE1  PHE   2           HE1      PHE   2   0.597   9.475  -2.253
   13    HE2  PHE   2           HE2      PHE   2   4.789   8.708  -2.144
   14    HZ   PHE   2           HZ       PHE   2   2.917  10.266  -2.511
   15    H    ARG   3           HN       ARG   3   2.506   5.002  -4.685
   16    HA   ARG   3           HA       ARG   3   5.127   3.851  -4.638
   17    HB2  ARG   3           HB2      ARG   3   3.751   3.715  -6.591
   18    HB3  ARG   3           HB1      ARG   3   3.611   5.470  -6.616
   19    HG2  ARG   3           HG2      ARG   3   5.999   5.661  -7.038
   20    HG3  ARG   3           HG1      ARG   3   6.138   3.900  -7.029
   21    HD2  ARG   3           HD2      ARG   3   4.755   3.704  -8.925
   22    HD3  ARG   3           HD1      ARG   3   4.315   5.409  -8.851
   23    HE   ARG   3           HE       ARG   3   6.988   5.521  -9.138
   24   HH11  ARG   3          HH11      ARG   3   4.519   3.797 -10.935
   25   HH12  ARG   3          HH12      ARG   3   5.407   3.811 -12.419
   26   HH21  ARG   3          HH21      ARG   3   8.151   5.576 -11.107
   27   HH22  ARG   3          HH22      ARG   3   7.487   4.827 -12.515
   28    H    SER   4           HN       SER   4   6.301   5.032  -3.176
   29    HA   SER   4           HA       SER   4   6.459   7.875  -3.225
   30    HB2  SER   4           HB2      SER   4   7.039   6.512  -1.224
   31    HB3  SER   4           HB1      SER   4   8.437   5.877  -2.089
   32    HG   SER   4           HG       SER   4   8.893   7.672  -0.677
   33    HA   PRO   5           HA       PRO   5   8.984   7.983  -6.928
   34    HB2  PRO   5           HB2      PRO   5   9.322  10.639  -7.018
   35    HB3  PRO   5           HB1      PRO   5   7.800   9.856  -7.482
   36    HG2  PRO   5           HG2      PRO   5   8.545  11.242  -4.931
   37    HG3  PRO   5           HG1      PRO   5   7.025  11.323  -5.839
   38    HD2  PRO   5           HD2      PRO   5   7.351   9.786  -3.626
   39    HD3  PRO   5           HD1      PRO   5   6.244   9.363  -4.947
   40    H    CYS   6           HN       CYS   6  10.361   7.368  -4.501
   41    HA   CYS   6           HA       CYS   6  12.937   8.494  -5.186
   42    HB2  CYS   6           HB2      CYS   6  11.951  10.122  -3.593
   43    HB3  CYS   6           HB1      CYS   6  11.814   8.838  -2.397
   44    HA   PRO   7           HA       PRO   7  14.097   7.272  -6.259
   45    HB2  PRO   7           HB2      PRO   7  14.432   4.984  -7.648
   46    HB3  PRO   7           HB1      PRO   7  15.597   5.514  -6.427
   47    HG2  PRO   7           HG2      PRO   7  13.390   3.503  -6.191
   48    HG3  PRO   7           HG1      PRO   7  15.071   3.388  -5.634
   49    HD2  PRO   7           HD2      PRO   7  13.017   4.028  -3.982
   50    HD3  PRO   7           HD1      PRO   7  14.664   4.645  -3.749
   51    HA   PRO   8           HA       PRO   8  14.542   6.876  -8.441
   52    HB2  PRO   8           HB2      PRO   8  14.152   7.108 -10.978
   53    HB3  PRO   8           HB1      PRO   8  13.735   5.555 -10.235
   54    HG2  PRO   8           HG2      PRO   8  11.929   7.799 -11.052
   55    HG3  PRO   8           HG1      PRO   8  11.664   6.071 -11.258
   56    HD2  PRO   8           HD2      PRO   8  10.722   7.689  -9.134
   57    HD3  PRO   8           HD1      PRO   8  10.687   5.924  -9.180
   58    H    PHE   9           HN       PHE   9  12.706   9.101  -7.371
   59    HA   PHE   9           HA       PHE   9  14.022  11.071  -9.037
   60    HB2  PHE   9           HB2      PHE   9  11.285  11.488  -7.801
   61    HB3  PHE   9           HB1      PHE   9  12.166  12.669  -8.760
   62    HD1  PHE   9           HD1      PHE   9   9.422  10.793  -8.948
   63    HD2  PHE   9           HD2      PHE   9  13.092  11.241 -11.063
   64    HE1  PHE   9           HE1      PHE   9   8.374   9.870 -10.971
   65    HE2  PHE   9           HE2      PHE   9  12.040  10.327 -13.088
   66    HZ   PHE   9           HZ       PHE   9   9.681   9.636 -13.042
   67    H    CYS  10           HN       CYS  10  15.669  10.800  -7.442
   68    HA   CYS  10           HA       CYS  10  15.472  12.960  -5.517
   69    HB2  CYS  10           HB2      CYS  10  15.969  10.110  -4.740
   70    HB3  CYS  10           HB1      CYS  10  16.784  11.397  -3.857
   71    HN1  NH2  11           H1       CYS  10  16.875  14.089  -6.786
   72    HN2  NH2  11           H2       CYS  10  18.535  13.655  -6.988
  Start of MODEL   26
    1    H1   GLY   1           HT1      GLY   1   0.278   0.398   0.702
    2    H2   GLY   1           HT2      GLY   1   0.704  -1.234   0.722
    3    H3   GLY   1           HT3      GLY   1   0.137  -0.527  -0.701
    4    HA2  GLY   1           HA1      GLY   1   2.672   0.146   0.665
    5    HA3  GLY   1           HA2      GLY   1   2.517  -0.804  -0.807
    6    H    PHE   2           HN       PHE   2   3.066   2.251   0.416
    7    HA   PHE   2           HA       PHE   2   1.891   3.705  -1.785
    8    HB2  PHE   2           HB2      PHE   2   1.943   4.605   0.554
    9    HB3  PHE   2           HB1      PHE   2   3.700   4.663   0.434
   10    HD1  PHE   2           HD1      PHE   2   0.582   6.215  -0.527
   11    HD2  PHE   2           HD2      PHE   2   4.794   6.260  -1.042
   12    HE1  PHE   2           HE1      PHE   2   0.430   8.471  -1.506
   13    HE2  PHE   2           HE2      PHE   2   4.660   8.518  -2.021
   14    HZ   PHE   2           HZ       PHE   2   2.474   9.625  -2.254
   15    H    ARG   3           HN       ARG   3   2.954   4.071  -3.633
   16    HA   ARG   3           HA       ARG   3   5.728   3.383  -3.832
   17    HB2  ARG   3           HB2      ARG   3   4.120   2.752  -5.503
   18    HB3  ARG   3           HB1      ARG   3   3.711   4.445  -5.741
   19    HG2  ARG   3           HG2      ARG   3   5.980   4.864  -6.552
   20    HG3  ARG   3           HG1      ARG   3   6.342   3.142  -6.373
   21    HD2  ARG   3           HD2      ARG   3   4.653   2.565  -7.940
   22    HD3  ARG   3           HD1      ARG   3   4.096   4.234  -8.018
   23    HE   ARG   3           HE       ARG   3   6.830   4.055  -8.741
   24   HH11  ARG   3          HH11      ARG   3   3.618   3.382  -9.958
   25   HH12  ARG   3          HH12      ARG   3   4.059   3.583 -11.615
   26   HH21  ARG   3          HH21      ARG   3   7.420   4.316 -10.949
   27   HH22  ARG   3          HH22      ARG   3   6.227   4.112 -12.181
   28    H    SER   4           HN       SER   4   6.824   4.953  -2.703
   29    HA   SER   4           HA       SER   4   6.417   7.737  -3.168
   30    HB2  SER   4           HB2      SER   4   8.689   7.808  -1.881
   31    HB3  SER   4           HB1      SER   4   7.235   7.285  -1.030
   32    HG   SER   4           HG       SER   4   9.443   5.963  -1.190
   33    HA   PRO   5           HA       PRO   5   8.896   8.008  -6.865
   34    HB2  PRO   5           HB2      PRO   5   9.209  10.679  -6.915
   35    HB3  PRO   5           HB1      PRO   5   7.690   9.884  -7.358
   36    HG2  PRO   5           HG2      PRO   5   8.473  11.235  -4.802
   37    HG3  PRO   5           HG1      PRO   5   6.929  11.301  -5.670
   38    HD2  PRO   5           HD2      PRO   5   7.334   9.742  -3.491
   39    HD3  PRO   5           HD1      PRO   5   6.211   9.312  -4.798
   40    H    CYS   6           HN       CYS   6  10.363   7.373  -4.506
   41    HA   CYS   6           HA       CYS   6  12.932   8.432  -5.278
   42    HB2  CYS   6           HB2      CYS   6  12.093  10.153  -3.720
   43    HB3  CYS   6           HB1      CYS   6  11.881   8.921  -2.481
   44    HA   PRO   7           HA       PRO   7  14.120   7.170  -6.282
   45    HB2  PRO   7           HB2      PRO   7  14.304   4.844  -7.650
   46    HB3  PRO   7           HB1      PRO   7  15.523   5.339  -6.469
   47    HG2  PRO   7           HG2      PRO   7  13.231   3.437  -6.143
   48    HG3  PRO   7           HG1      PRO   7  14.915   3.256  -5.618
   49    HD2  PRO   7           HD2      PRO   7  12.937   4.014  -3.935
   50    HD3  PRO   7           HD1      PRO   7  14.609   4.580  -3.757
   51    HA   PRO   8           HA       PRO   8  14.524   6.855  -8.387
   52    HB2  PRO   8           HB2      PRO   8  14.159   7.098 -10.947
   53    HB3  PRO   8           HB1      PRO   8  13.787   5.537 -10.196
   54    HG2  PRO   8           HG2      PRO   8  11.922   7.679 -11.118
   55    HG3  PRO   8           HG1      PRO   8  11.692   5.937 -11.184
   56    HD2  PRO   8           HD2      PRO   8  10.770   7.735  -9.170
   57    HD3  PRO   8           HD1      PRO   8  10.637   5.979  -9.139
   58    H    PHE   9           HN       PHE   9  12.722   9.100  -7.330
   59    HA   PHE   9           HA       PHE   9  14.037  11.063  -9.017
   60    HB2  PHE   9           HB2      PHE   9  11.326  11.536  -7.754
   61    HB3  PHE   9           HB1      PHE   9  12.200  12.658  -8.787
   62    HD1  PHE   9           HD1      PHE   9   9.471  10.711  -8.777
   63    HD2  PHE   9           HD2      PHE   9  13.022  11.229 -11.066
   64    HE1  PHE   9           HE1      PHE   9   8.375   9.680 -10.718
   65    HE2  PHE   9           HE2      PHE   9  11.921  10.214 -13.014
   66    HZ   PHE   9           HZ       PHE   9   9.595   9.433 -12.837
   67    H    CYS  10           HN       CYS  10  15.685  10.809  -7.416
   68    HA   CYS  10           HA       CYS  10  15.469  12.980  -5.501
   69    HB2  CYS  10           HB2      CYS  10  16.083  10.146  -4.769
   70    HB3  CYS  10           HB1      CYS  10  16.898  11.442  -3.903
   71    HN1  NH2  11           H1       CYS  10  16.800  14.203  -6.736
   72    HN2  NH2  11           H2       CYS  10  18.460  13.829  -7.036
  Start of MODEL   27
    1    H1   GLY   1           HT1      GLY   1   4.828  -3.214  -0.274
    2    H2   GLY   1           HT2      GLY   1   4.995  -4.626  -1.189
    3    H3   GLY   1           HT3      GLY   1   3.616  -3.654  -1.364
    4    HA2  GLY   1           HA1      GLY   1   6.379  -2.858  -2.063
    5    HA3  GLY   1           HA2      GLY   1   5.132  -3.338  -3.207
    6    H    PHE   2           HN       PHE   2   6.678  -0.722  -2.176
    7    HA   PHE   2           HA       PHE   2   4.314   0.997  -2.372
    8    HB2  PHE   2           HB2      PHE   2   5.449   0.964  -0.120
    9    HB3  PHE   2           HB1      PHE   2   6.894   1.574  -0.918
   10    HD1  PHE   2           HD1      PHE   2   3.812   2.407   0.627
   11    HD2  PHE   2           HD2      PHE   2   6.742   3.809  -2.102
   12    HE1  PHE   2           HE1      PHE   2   3.004   4.707   0.961
   13    HE2  PHE   2           HE2      PHE   2   5.944   6.122  -1.775
   14    HZ   PHE   2           HZ       PHE   2   4.075   6.569  -0.244
   15    H    ARG   3           HN       ARG   3   4.333   2.011  -4.323
   16    HA   ARG   3           HA       ARG   3   6.871   2.499  -5.616
   17    HB2  ARG   3           HB2      ARG   3   4.026   2.903  -6.363
   18    HB3  ARG   3           HB1      ARG   3   5.299   3.703  -7.274
   19    HG2  ARG   3           HG2      ARG   3   4.961   0.742  -6.881
   20    HG3  ARG   3           HG1      ARG   3   4.648   1.645  -8.367
   21    HD2  ARG   3           HD2      ARG   3   7.304   1.203  -7.008
   22    HD3  ARG   3           HD1      ARG   3   6.780   0.551  -8.554
   23    HE   ARG   3           HE       ARG   3   6.838   3.446  -8.422
   24   HH11  ARG   3          HH11      ARG   3   8.637   0.540  -9.208
   25   HH12  ARG   3          HH12      ARG   3   9.759   1.355 -10.234
   26   HH21  ARG   3          HH21      ARG   3   8.325   4.539  -9.783
   27   HH22  ARG   3          HH22      ARG   3   9.583   3.647 -10.559
   28    H    SER   4           HN       SER   4   7.922   3.962  -4.497
   29    HA   SER   4           HA       SER   4   6.660   6.518  -3.927
   30    HB2  SER   4           HB2      SER   4   8.831   6.973  -2.742
   31    HB3  SER   4           HB1      SER   4   7.963   5.572  -2.115
   32    HG   SER   4           HG       SER   4   9.732   4.518  -2.499
   33    HA   PRO   5           HA       PRO   5   9.160   8.192  -7.277
   34    HB2  PRO   5           HB2      PRO   5   8.951  10.799  -6.825
   35    HB3  PRO   5           HB1      PRO   5   7.551   9.836  -7.326
   36    HG2  PRO   5           HG2      PRO   5   8.212  10.988  -4.667
   37    HG3  PRO   5           HG1      PRO   5   6.627  10.642  -5.376
   38    HD2  PRO   5           HD2      PRO   5   8.080   9.042  -3.522
   39    HD3  PRO   5           HD1      PRO   5   6.560   8.642  -4.351
   40    H    CYS   6           HN       CYS   6  10.558   7.280  -4.935
   41    HA   CYS   6           HA       CYS   6  13.043   8.603  -5.268
   42    HB2  CYS   6           HB2      CYS   6  11.966  10.270  -3.809
   43    HB3  CYS   6           HB1      CYS   6  11.624   9.018  -2.622
   44    HA   PRO   7           HA       PRO   7  14.136   7.252  -6.363
   45    HB2  PRO   7           HB2      PRO   7  14.375   4.864  -7.616
   46    HB3  PRO   7           HB1      PRO   7  15.611   5.468  -6.506
   47    HG2  PRO   7           HG2      PRO   7  13.412   3.500  -6.000
   48    HG3  PRO   7           HG1      PRO   7  15.118   3.413  -5.525
   49    HD2  PRO   7           HD2      PRO   7  13.174   4.178  -3.812
   50    HD3  PRO   7           HD1      PRO   7  14.823   4.831  -3.733
   51    HA   PRO   8           HA       PRO   8  14.453   6.811  -8.530
   52    HB2  PRO   8           HB2      PRO   8  13.878   7.095 -11.048
   53    HB3  PRO   8           HB1      PRO   8  13.578   5.519 -10.296
   54    HG2  PRO   8           HG2      PRO   8  11.631   7.676 -11.006
   55    HG3  PRO   8           HG1      PRO   8  11.415   5.932 -11.122
   56    HD2  PRO   8           HD2      PRO   8  10.615   7.631  -8.990
   57    HD3  PRO   8           HD1      PRO   8  10.536   5.875  -8.985
   58    H    PHE   9           HN       PHE   9  12.758   9.047  -7.287
   59    HA   PHE   9           HA       PHE   9  14.007  11.041  -8.989
   60    HB2  PHE   9           HB2      PHE   9  11.307  11.520  -7.699
   61    HB3  PHE   9           HB1      PHE   9  12.174  12.631  -8.745
   62    HD1  PHE   9           HD1      PHE   9   9.448  10.651  -8.665
   63    HD2  PHE   9           HD2      PHE   9  12.913  11.265 -11.059
   64    HE1  PHE   9           HE1      PHE   9   8.289   9.658 -10.598
   65    HE2  PHE   9           HE2      PHE   9  11.759  10.290 -12.991
   66    HZ   PHE   9           HZ       PHE   9   9.444   9.481 -12.765
   67    H    CYS  10           HN       CYS  10  15.689  10.847  -7.413
   68    HA   CYS  10           HA       CYS  10  15.466  12.948  -5.448
   69    HB2  CYS  10           HB2      CYS  10  15.812  10.090  -4.686
   70    HB3  CYS  10           HB1      CYS  10  16.764  11.288  -3.815
   71    HN1  NH2  11           H1       CYS  10  16.974  14.153  -6.390
   72    HN2  NH2  11           H2       CYS  10  18.598  13.653  -6.701