*HEADER    HYDROLASE                               04-APR-19   6R9Z              
*TITLE     3D NMR SOLUTION STRUCTURE OF LIGAND PEPTIDE (AC)EVNPPVP OF PRO-PRO    
*TITLE    2 ENDOPEPTIDASE-1                                                      
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: ACE-GLU-VAL-ASN-PRO-PRO-VAL-PRO-NH2;                       
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: CLOSTRIDIOIDES DIFFICILE;                       
*SOURCE   4 ORGANISM_TAXID: 1496                                                 
*KEYWDS    SYNTHETIC MODEL PEPTIDE, PRO-PRO ENDOPEPTIDASE-1, HYDROLASE           
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    D.DIAZ                                                                
*REVDAT   1   19-JUN-19 6R9Z    0                                                
# Restraints file 1: PP_final.upl
  4 ASN  HB3     5 PRO  HD2     4.50            #peak     4 #SUP  0.70  #QF  0.70
  4 ASN  HB3     5 PRO  HD3     4.50            #peak     5 #SUP  1.00
  3 VAL  HB      4 ASN  H       4.57            #peak    16 #SUP  0.98  #QF  0.98
  3 VAL  HA      4 ASN  H       3.13            #peak    18 #SUP  0.81  #QF  0.81
  3 VAL  QQG     4 ASN  H       4.70            #peak    22 #SUP  1.00
  7 VAL  HA      8 PRO  HD3     2.96            #peak    40 #SUP  1.00
  2 GLU  H       2 GLU  QG      3.73            #peak    54 #SUP  0.94  #QF  0.94
  7 VAL  QQG     9 NHE  HA1     4.79            #peak    62 #SUP  0.92  #QF  0.92
  8 PRO  HA      9 NHE  HA1     2.93            #peak    64 #SUP  0.67  #QF  0.67
  7 VAL  HA      8 PRO  HD2     2.96            #peak    65 #SUP  1.00
  7 VAL  QQG     8 PRO  HD2     4.71            #peak    70 #SUP  1.00
  4 ASN  HB2     5 PRO  HD2     4.50            #peak    96 #SUP  1.00
  4 ASN  HB2     5 PRO  HD3     4.50            #peak    97 #SUP  0.99  #QF  0.99
  3 VAL  HA      4 ASN  HA      4.72            #peak   103 #SUP  0.99  #QF  0.99
  6 PRO  HA      7 VAL  H       2.53            #peak   148 #SUP  0.61  #QF  0.61
  7 VAL  H       7 VAL  HB      3.23            #peak   150 #SUP  0.78  #QF  0.78
  7 VAL  H       7 VAL  QQG     3.90            #peak   154 #SUP  1.00
  4 ASN  HA      5 PRO  HD2     2.86            #peak   176 #SUP  0.93  #QF  0.93
  2 GLU  HA      3 VAL  H       3.15            #peak   189 #SUP  0.95  #QF  0.95
  2 GLU  HA      2 GLU  QG      3.52            #peak   190 #SUP  1.00
  7 VAL  HA      7 VAL  QQG     2.98            #peak   201 #SUP  1.00
  3 VAL  H       3 VAL  HB      3.67            #peak   223 #SUP  0.87  #QF  0.87
  3 VAL  H       3 VAL  QQG     3.27            #peak   226 #SUP  1.00
  7 VAL  QQG     8 PRO  HD3     4.71            #peak   243 #SUP  0.99  #QF  0.33
  4 ASN  HA      5 PRO  HD3     2.86            #peak   246 #SUP  0.95  #QF  0.95
  3 VAL  HA      3 VAL  QQG     2.67            #peak   269 #SUP  1.00
  2 GLU  HA      3 VAL  QQG     3.92            #peak   272 #SUP  0.99  #QF  0.99
  3 VAL  QQG     4 ASN  HA      4.55            #peak   274 #SUP  1.00
  2 GLU  H       2 GLU  QB      3.18            #peak    51
  3 VAL  QQG     5 PRO  QD      4.60            #peak   177
  4 ASN  H       4 ASN  QB      3.69            #peak    20
  4 ASN  HA      4 ASN  QD2     4.44            #peak   122
  4 ASN  QB      4 ASN  QD2     3.15            #peak   121
  4 ASN  QB      5 PRO  QD      3.17            #peak    97
  5 PRO  HA      6 PRO  QD      2.68            #peak   170
  5 PRO  QB      6 PRO  QD      3.64            #peak   174
  5 PRO  QD      7 VAL  QQG     4.21            #peak   243
  6 PRO  QB      7 VAL  H       3.98            #peak   151
  6 PRO  QD      7 VAL  H       4.86            #peak   153
  7 VAL  HA      8 PRO  QD      2.49            #peak    65
  7 VAL  QQG     8 PRO  QD      4.04            #peak    70
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   ACE   1          1H1       ACE   1   4.258  -0.291  -1.519
    2    H2   ACE   1          2H1       ACE   1   3.961   0.610  -3.026
    3    H3   ACE   1          3H1       ACE   1   5.041   1.286  -1.783
    4    H    GLU   2           H        GLU   2   3.299   2.986  -2.469
    5    HA   GLU   2           HA       GLU   2   1.039   2.777  -0.593
    6    HB2  GLU   2          2HB       GLU   2   1.336   5.075   0.065
    7    HB3  GLU   2          3HB       GLU   2   2.853   4.220   0.306
    8    HG2  GLU   2          2HG       GLU   2   3.364   5.129  -2.108
    9    HG3  GLU   2          3HG       GLU   2   2.156   6.332  -1.661
   10    H    VAL   3           H        VAL   3  -0.460   4.834  -1.060
   11    HA   VAL   3           HA       VAL   3  -0.698   5.360  -3.912
   12    HB   VAL   3           HB       VAL   3  -1.962   3.258  -3.559
   13   HG11  VAL   3          1HG1      VAL   3  -2.721   4.390  -1.177
   14   HG12  VAL   3          2HG1      VAL   3  -4.183   4.526  -2.157
   15   HG13  VAL   3          3HG1      VAL   3  -3.432   2.950  -1.904
   16   HG21  VAL   3          1HG2      VAL   3  -3.953   3.947  -4.719
   17   HG22  VAL   3          2HG2      VAL   3  -3.762   5.605  -4.150
   18   HG23  VAL   3          3HG2      VAL   3  -2.600   4.924  -5.289
   19    H    ASN   4           H        ASN   4  -1.650   7.289  -4.356
   20    HA   ASN   4           HA       ASN   4  -3.037   8.697  -2.190
   21    HB2  ASN   4          2HB       ASN   4  -1.728  10.789  -3.147
   22    HB3  ASN   4          3HB       ASN   4  -1.017   9.765  -1.903
   23   HD21  ASN   4          1HD2      ASN   4   0.784   8.610  -2.348
   24   HD22  ASN   4          2HD2      ASN   4   1.627   8.677  -3.854
   25    HA   PRO   5           HA       PRO   5  -5.876  10.020  -5.261
   26    HB2  PRO   5          2HB       PRO   5  -6.482  12.539  -4.449
   27    HB3  PRO   5          3HB       PRO   5  -7.034  11.094  -3.592
   28    HG2  PRO   5          2HG       PRO   5  -4.727  12.898  -2.973
   29    HG3  PRO   5          3HG       PRO   5  -5.918  12.186  -1.869
   30    HD2  PRO   5          2HD       PRO   5  -3.428  11.167  -2.181
   31    HD3  PRO   5          3HD       PRO   5  -4.837  10.151  -1.815
   32    HA   PRO   6           HA       PRO   6  -4.011  12.380  -8.468
   33    HB2  PRO   6          2HB       PRO   6  -6.127  13.673  -9.572
   34    HB3  PRO   6          3HB       PRO   6  -5.861  11.935  -9.755
   35    HG2  PRO   6          2HG       PRO   6  -7.681  13.386  -7.872
   36    HG3  PRO   6          3HG       PRO   6  -7.993  11.924  -8.827
   37    HD2  PRO   6          2HD       PRO   6  -7.375  11.839  -6.192
   38    HD3  PRO   6          3HD       PRO   6  -6.900  10.559  -7.326
   39    H    VAL   7           H        VAL   7  -2.669  13.958  -7.769
   40    HA   VAL   7           HA       VAL   7  -3.845  16.605  -7.297
   41    HB   VAL   7           HB       VAL   7  -1.617  15.455  -5.613
   42   HG11  VAL   7          1HG1      VAL   7  -2.816  17.735  -4.452
   43   HG12  VAL   7          2HG1      VAL   7  -1.171  17.560  -5.067
   44   HG13  VAL   7          3HG1      VAL   7  -2.457  18.129  -6.132
   45   HG21  VAL   7          1HG2      VAL   7  -3.376  14.375  -4.665
   46   HG22  VAL   7          2HG2      VAL   7  -3.553  15.924  -3.840
   47   HG23  VAL   7          3HG2      VAL   7  -4.555  15.553  -5.244
   48    HA   PRO   8           HA       PRO   8  -0.366  16.648 -10.392
   49    HB2  PRO   8          2HB       PRO   8  -1.722  18.077 -12.260
   50    HB3  PRO   8          3HB       PRO   8  -1.803  16.314 -12.153
   51    HG2  PRO   8          2HG       PRO   8  -3.733  18.364 -11.137
   52    HG3  PRO   8          3HG       PRO   8  -4.062  16.836 -11.973
   53    HD2  PRO   8          2HD       PRO   8  -4.286  17.104  -9.288
   54    HD3  PRO   8          3HD       PRO   8  -3.790  15.583 -10.058
   55    HN1  NH2   9           HN1      NH2   9   1.129  18.112  -9.850
   56    HN2  NH2   9           HN2      NH2   9   0.855  19.803  -9.594
  Start of MODEL    2
    1    H1   ACE   1          1H1       ACE   1   0.000   0.000   0.000
    2    H2   ACE   1          2H1       ACE   1   0.890   0.000  -1.542
    3    H3   ACE   1          3H1       ACE   1   1.780  -0.000   0.000
    4    H    GLU   2           H        GLU   2   2.622   1.842  -1.514
    5    HA   GLU   2           HA       GLU   2   1.669   4.290  -0.296
    6    HB2  GLU   2          2HB       GLU   2   4.050   3.548  -1.963
    7    HB3  GLU   2          3HB       GLU   2   3.630   5.238  -1.724
    8    HG2  GLU   2          2HG       GLU   2   4.064   5.161   0.550
    9    HG3  GLU   2          3HG       GLU   2   3.925   3.405   0.617
   10    H    VAL   3           H        VAL   3  -0.174   5.021  -1.202
   11    HA   VAL   3           HA       VAL   3  -0.054   5.781  -4.026
   12    HB   VAL   3           HB       VAL   3  -1.280   3.686  -4.045
   13   HG11  VAL   3          1HG1      VAL   3  -2.003   3.802  -1.660
   14   HG12  VAL   3          2HG1      VAL   3  -3.245   4.958  -2.146
   15   HG13  VAL   3          3HG1      VAL   3  -3.275   3.311  -2.778
   16   HG21  VAL   3          1HG2      VAL   3  -3.230   4.405  -5.203
   17   HG22  VAL   3          2HG2      VAL   3  -3.264   5.936  -4.327
   18   HG23  VAL   3          3HG2      VAL   3  -1.982   5.616  -5.495
   19    H    ASN   4           H        ASN   4  -1.024   7.700  -4.489
   20    HA   ASN   4           HA       ASN   4  -2.493   9.025  -2.307
   21    HB2  ASN   4          2HB       ASN   4  -1.437  11.165  -3.450
   22    HB3  ASN   4          3HB       ASN   4  -0.546  10.252  -2.236
   23   HD21  ASN   4          1HD2      ASN   4  -1.055  10.476  -5.728
   24   HD22  ASN   4          2HD2      ASN   4   0.561  10.052  -6.167
   25    HA   PRO   5           HA       PRO   5  -5.674   9.998  -5.166
   26    HB2  PRO   5          2HB       PRO   5  -6.405  12.497  -4.396
   27    HB3  PRO   5          3HB       PRO   5  -6.768  11.054  -3.443
   28    HG2  PRO   5          2HG       PRO   5  -4.565  13.051  -3.093
   29    HG3  PRO   5          3HG       PRO   5  -5.600  12.300  -1.864
   30    HD2  PRO   5          2HD       PRO   5  -3.073  11.457  -2.354
   31    HD3  PRO   5          3HD       PRO   5  -4.363  10.355  -1.830
   32    HA   PRO   6           HA       PRO   6  -4.275  12.350  -8.607
   33    HB2  PRO   6          2HB       PRO   6  -6.571  13.432  -9.570
   34    HB3  PRO   6          3HB       PRO   6  -6.187  11.713  -9.711
   35    HG2  PRO   6          2HG       PRO   6  -7.950  13.104  -7.731
   36    HG3  PRO   6          3HG       PRO   6  -8.226  11.583  -8.601
   37    HD2  PRO   6          2HD       PRO   6  -7.384  11.658  -6.028
   38    HD3  PRO   6          3HD       PRO   6  -6.907  10.369  -7.152
   39    H    VAL   7           H        VAL   7  -3.025  13.914  -7.457
   40    HA   VAL   7           HA       VAL   7  -4.268  16.577  -7.444
   41    HB   VAL   7           HB       VAL   7  -2.340  15.637  -5.320
   42   HG11  VAL   7          1HG1      VAL   7  -4.067  18.096  -5.296
   43   HG12  VAL   7          2HG1      VAL   7  -2.679  17.716  -4.275
   44   HG13  VAL   7          3HG1      VAL   7  -2.443  18.094  -5.982
   45   HG21  VAL   7          1HG2      VAL   7  -4.370  14.451  -4.952
   46   HG22  VAL   7          2HG2      VAL   7  -4.341  15.794  -3.809
   47   HG23  VAL   7          3HG2      VAL   7  -5.341  15.892  -5.258
   48    HA   PRO   8           HA       PRO   8  -0.319  16.479  -9.892
   49    HB2  PRO   8          2HB       PRO   8  -1.329  17.830 -12.019
   50    HB3  PRO   8          3HB       PRO   8  -1.451  16.075 -11.850
   51    HG2  PRO   8          2HG       PRO   8  -3.493  18.182 -11.257
   52    HG3  PRO   8          3HG       PRO   8  -3.702  16.619 -12.068
   53    HD2  PRO   8          2HD       PRO   8  -4.361  17.012  -9.471
   54    HD3  PRO   8          3HD       PRO   8  -3.766  15.454 -10.080
   55    HN1  NH2   9           HN1      NH2   9   0.574  17.914  -8.320
   56    HN2  NH2   9           HN2      NH2   9   0.480  19.633  -8.512
  Start of MODEL    3
    1    H1   ACE   1          1H1       ACE   1   1.381   0.507  -3.181
    2    H2   ACE   1          2H1       ACE   1   1.947   0.440  -1.495
    3    H3   ACE   1          3H1       ACE   1   0.260   0.885  -1.851
    4    H    GLU   2           H        GLU   2   1.323   2.586  -0.311
    5    HA   GLU   2           HA       GLU   2   1.689   4.820  -0.046
    6    HB2  GLU   2          2HB       GLU   2   3.819   3.991  -1.989
    7    HB3  GLU   2          3HB       GLU   2   3.670   5.675  -1.506
    8    HG2  GLU   2          2HG       GLU   2   3.911   3.457   0.497
    9    HG3  GLU   2          3HG       GLU   2   5.318   4.236  -0.224
   10    H    VAL   3           H        VAL   3  -0.323   4.013  -2.002
   11    HA   VAL   3           HA       VAL   3  -0.220   5.626  -4.313
   12    HB   VAL   3           HB       VAL   3  -2.623   5.243  -4.506
   13   HG11  VAL   3          1HG1      VAL   3  -1.203   3.465  -5.256
   14   HG12  VAL   3          2HG1      VAL   3  -1.038   2.840  -3.614
   15   HG13  VAL   3          3HG1      VAL   3  -2.595   2.754  -4.439
   16   HG21  VAL   3          1HG2      VAL   3  -2.394   4.110  -1.720
   17   HG22  VAL   3          2HG2      VAL   3  -3.293   5.548  -2.205
   18   HG23  VAL   3          3HG2      VAL   3  -3.811   3.956  -2.758
   19    H    ASN   4           H        ASN   4  -2.155   7.269  -4.644
   20    HA   ASN   4           HA       ASN   4  -2.771   8.945  -2.409
   21    HB2  ASN   4          2HB       ASN   4  -1.596  10.955  -3.667
   22    HB3  ASN   4          3HB       ASN   4  -0.709   9.964  -2.513
   23   HD21  ASN   4          1HD2      ASN   4   1.278   9.726  -3.227
   24   HD22  ASN   4          2HD2      ASN   4   1.736   9.322  -4.843
   25    HA   PRO   5           HA       PRO   5  -6.056  10.220  -5.022
   26    HB2  PRO   5          2HB       PRO   5  -6.462  12.788  -4.238
   27    HB3  PRO   5          3HB       PRO   5  -6.893  11.397  -3.235
   28    HG2  PRO   5          2HG       PRO   5  -4.476  13.157  -3.094
   29    HG3  PRO   5          3HG       PRO   5  -5.480  12.527  -1.775
   30    HD2  PRO   5          2HD       PRO   5  -3.101  11.424  -2.450
   31    HD3  PRO   5          3HD       PRO   5  -4.451  10.465  -1.808
   32    HA   PRO   6           HA       PRO   6  -4.704  12.387  -8.602
   33    HB2  PRO   6          2HB       PRO   6  -6.947  13.694  -9.396
   34    HB3  PRO   6          3HB       PRO   6  -6.754  11.943  -9.540
   35    HG2  PRO   6          2HG       PRO   6  -8.200  13.524  -7.449
   36    HG3  PRO   6          3HG       PRO   6  -8.699  12.034  -8.269
   37    HD2  PRO   6          2HD       PRO   6  -7.650  12.041  -5.773
   38    HD3  PRO   6          3HD       PRO   6  -7.400  10.701  -6.910
   39    H    VAL   7           H        VAL   7  -3.236  13.799  -7.435
   40    HA   VAL   7           HA       VAL   7  -4.147  16.591  -7.499
   41    HB   VAL   7           HB       VAL   7  -2.412  15.433  -5.314
   42   HG11  VAL   7          1HG1      VAL   7  -3.195  18.187  -6.092
   43   HG12  VAL   7          2HG1      VAL   7  -3.122  17.811  -4.370
   44   HG13  VAL   7          3HG1      VAL   7  -1.694  17.593  -5.383
   45   HG21  VAL   7          1HG2      VAL   7  -4.303  15.866  -3.828
   46   HG22  VAL   7          2HG2      VAL   7  -5.270  16.395  -5.205
   47   HG23  VAL   7          3HG2      VAL   7  -4.739  14.717  -5.093
   48    HA   PRO   8           HA       PRO   8  -0.219  15.930  -9.897
   49    HB2  PRO   8          2HB       PRO   8  -1.044  17.314 -12.083
   50    HB3  PRO   8          3HB       PRO   8  -1.376  15.593 -11.854
   51    HG2  PRO   8          2HG       PRO   8  -3.157  17.948 -11.361
   52    HG3  PRO   8          3HG       PRO   8  -3.543  16.393 -12.119
   53    HD2  PRO   8          2HD       PRO   8  -4.172  16.955  -9.546
   54    HD3  PRO   8          3HD       PRO   8  -3.763  15.316 -10.092
   55    HN1  NH2   9           HN1      NH2   9   0.955  17.280  -8.509
   56    HN2  NH2   9           HN2      NH2   9   1.019  18.999  -8.709
  Start of MODEL    4
    1    H1   ACE   1          1H1       ACE   1   2.420   0.585  -3.984
    2    H2   ACE   1          2H1       ACE   1   3.391   1.930  -4.629
    3    H3   ACE   1          3H1       ACE   1   3.840   1.170  -3.084
    4    H    GLU   2           H        GLU   2   3.701   3.682  -2.833
    5    HA   GLU   2           HA       GLU   2   1.746   4.207  -0.938
    6    HB2  GLU   2          2HB       GLU   2   3.544   5.977  -2.563
    7    HB3  GLU   2          3HB       GLU   2   2.350   6.682  -1.482
    8    HG2  GLU   2          2HG       GLU   2   3.342   5.411   0.386
    9    HG3  GLU   2          3HG       GLU   2   4.582   4.816  -0.716
   10    H    VAL   3           H        VAL   3  -0.370   4.439  -1.146
   11    HA   VAL   3           HA       VAL   3  -1.506   5.186  -3.727
   12    HB   VAL   3           HB       VAL   3  -2.883   4.256  -1.203
   13   HG11  VAL   3          1HG1      VAL   3  -4.707   3.768  -3.017
   14   HG12  VAL   3          2HG1      VAL   3  -4.556   5.379  -2.313
   15   HG13  VAL   3          3HG1      VAL   3  -3.874   5.044  -3.904
   16   HG21  VAL   3          1HG2      VAL   3  -2.057   2.263  -1.795
   17   HG22  VAL   3          2HG2      VAL   3  -3.223   2.317  -3.118
   18   HG23  VAL   3          3HG2      VAL   3  -1.560   2.842  -3.386
   19    H    ASN   4           H        ASN   4  -2.481   7.080  -4.144
   20    HA   ASN   4           HA       ASN   4  -3.430   8.799  -2.031
   21    HB2  ASN   4          2HB       ASN   4  -1.970  10.718  -3.121
   22    HB3  ASN   4          3HB       ASN   4  -1.324   9.706  -1.832
   23   HD21  ASN   4          1HD2      ASN   4   0.558   8.775  -2.182
   24   HD22  ASN   4          2HD2      ASN   4   1.301   8.536  -3.724
   25    HA   PRO   5           HA       PRO   5  -6.206  10.190  -5.130
   26    HB2  PRO   5          2HB       PRO   5  -6.584  12.791  -4.449
   27    HB3  PRO   5          3HB       PRO   5  -7.239  11.446  -3.507
   28    HG2  PRO   5          2HG       PRO   5  -4.777  13.080  -3.021
   29    HG3  PRO   5          3HG       PRO   5  -6.003  12.531  -1.862
   30    HD2  PRO   5          2HD       PRO   5  -3.613  11.290  -2.153
   31    HD3  PRO   5          3HD       PRO   5  -5.095  10.417  -1.712
   32    HA   PRO   6           HA       PRO   6  -4.211  12.207  -8.489
   33    HB2  PRO   6          2HB       PRO   6  -6.232  13.613  -9.632
   34    HB3  PRO   6          3HB       PRO   6  -6.116  11.852  -9.723
   35    HG2  PRO   6          2HG       PRO   6  -7.773  13.550  -7.897
   36    HG3  PRO   6          3HG       PRO   6  -8.224  12.071  -8.765
   37    HD2  PRO   6          2HD       PRO   6  -7.566  12.076  -6.138
   38    HD3  PRO   6          3HD       PRO   6  -7.220  10.701  -7.206
   39    H    VAL   7           H        VAL   7  -2.778  13.604  -7.407
   40    HA   VAL   7           HA       VAL   7  -3.679  16.407  -7.292
   41    HB   VAL   7           HB       VAL   7  -1.649  15.173  -5.429
   42   HG11  VAL   7          1HG1      VAL   7  -2.917  17.898  -5.597
   43   HG12  VAL   7          2HG1      VAL   7  -2.052  17.319  -4.172
   44   HG13  VAL   7          3HG1      VAL   7  -1.206  17.487  -5.710
   45   HG21  VAL   7          1HG2      VAL   7  -4.593  15.616  -5.143
   46   HG22  VAL   7          2HG2      VAL   7  -3.624  14.215  -4.688
   47   HG23  VAL   7          3HG2      VAL   7  -3.541  15.693  -3.730
   48    HA   PRO   8           HA       PRO   8  -0.069  15.957 -10.185
   49    HB2  PRO   8          2HB       PRO   8  -1.152  17.487 -12.149
   50    HB3  PRO   8          3HB       PRO   8  -1.455  15.751 -12.006
   51    HG2  PRO   8          2HG       PRO   8  -3.162  18.050 -11.132
   52    HG3  PRO   8          3HG       PRO   8  -3.638  16.549 -11.949
   53    HD2  PRO   8          2HD       PRO   8  -3.950  16.920  -9.285
   54    HD3  PRO   8          3HD       PRO   8  -3.610  15.328  -9.994
   55    HN1  NH2   9           HN1      NH2   9   1.351  17.208  -9.003
   56    HN2  NH2   9           HN2      NH2   9   1.358  18.940  -9.028
  Start of MODEL    5
    1    H1   ACE   1          1H1       ACE   1   2.783   0.836  -3.713
    2    H2   ACE   1          2H1       ACE   1   3.005   0.560  -1.969
    3    H3   ACE   1          3H1       ACE   1   1.366   0.610  -2.660
    4    H    GLU   2           H        GLU   2   1.540   2.160  -0.670
    5    HA   GLU   2           HA       GLU   2   1.156   4.300   0.012
    6    HB2  GLU   2          2HB       GLU   2   3.761   4.497  -1.461
    7    HB3  GLU   2          3HB       GLU   2   3.017   5.942  -0.791
    8    HG2  GLU   2          2HG       GLU   2   3.388   3.555   0.950
    9    HG3  GLU   2          3HG       GLU   2   4.770   4.585   0.582
   10    H    VAL   3           H        VAL   3  -0.526   3.699  -1.971
   11    HA   VAL   3           HA       VAL   3  -0.420   5.376  -4.245
   12    HB   VAL   3           HB       VAL   3  -1.836   3.358  -4.127
   13   HG11  VAL   3          1HG1      VAL   3  -2.578   4.052  -1.705
   14   HG12  VAL   3          2HG1      VAL   3  -3.889   4.855  -2.571
   15   HG13  VAL   3          3HG1      VAL   3  -3.650   3.116  -2.746
   16   HG21  VAL   3          1HG2      VAL   3  -2.277   5.466  -5.598
   17   HG22  VAL   3          2HG2      VAL   3  -3.479   4.177  -5.526
   18   HG23  VAL   3          3HG2      VAL   3  -3.703   5.646  -4.576
   19    H    ASN   4           H        ASN   4  -1.259   7.374  -4.651
   20    HA   ASN   4           HA       ASN   4  -2.470   8.801  -2.376
   21    HB2  ASN   4          2HB       ASN   4  -1.313  10.853  -3.583
   22    HB3  ASN   4          3HB       ASN   4  -0.426   9.859  -2.431
   23   HD21  ASN   4          1HD2      ASN   4   1.522   9.338  -3.073
   24   HD22  ASN   4          2HD2      ASN   4   2.033   9.097  -4.706
   25    HA   PRO   5           HA       PRO   5  -5.738  10.059  -5.019
   26    HB2  PRO   5          2HB       PRO   5  -6.202  12.606  -4.200
   27    HB3  PRO   5          3HB       PRO   5  -6.624  11.191  -3.227
   28    HG2  PRO   5          2HG       PRO   5  -4.241  12.992  -3.019
   29    HG3  PRO   5          3HG       PRO   5  -5.254  12.323  -1.726
   30    HD2  PRO   5          2HD       PRO   5  -2.845  11.274  -2.382
   31    HD3  PRO   5          3HD       PRO   5  -4.186  10.281  -1.777
   32    HA   PRO   6           HA       PRO   6  -4.371  12.309  -8.542
   33    HB2  PRO   6          2HB       PRO   6  -6.626  13.588  -9.350
   34    HB3  PRO   6          3HB       PRO   6  -6.398  11.843  -9.519
   35    HG2  PRO   6          2HG       PRO   6  -7.904  13.363  -7.425
   36    HG3  PRO   6          3HG       PRO   6  -8.364  11.878  -8.277
   37    HD2  PRO   6          2HD       PRO   6  -7.353  11.863  -5.765
   38    HD3  PRO   6          3HD       PRO   6  -7.061  10.547  -6.920
   39    H    VAL   7           H        VAL   7  -2.914  13.764  -7.528
   40    HA   VAL   7           HA       VAL   7  -3.981  16.497  -7.242
   41    HB   VAL   7           HB       VAL   7  -1.671  15.369  -5.658
   42   HG11  VAL   7          1HG1      VAL   7  -1.243  17.581  -5.532
   43   HG12  VAL   7          2HG1      VAL   7  -2.894  18.035  -5.958
   44   HG13  VAL   7          3HG1      VAL   7  -2.512  17.540  -4.308
   45   HG21  VAL   7          1HG2      VAL   7  -4.557  15.268  -5.196
   46   HG22  VAL   7          2HG2      VAL   7  -3.257  14.330  -4.460
   47   HG23  VAL   7          3HG2      VAL   7  -3.638  15.940  -3.849
   48    HA   PRO   8           HA       PRO   8  -0.682  16.344 -10.524
   49    HB2  PRO   8          2HB       PRO   8  -2.093  17.778 -12.347
   50    HB3  PRO   8          3HB       PRO   8  -2.229  16.022 -12.191
   51    HG2  PRO   8          2HG       PRO   8  -4.024  18.164 -11.120
   52    HG3  PRO   8          3HG       PRO   8  -4.454  16.630 -11.897
   53    HD2  PRO   8          2HD       PRO   8  -4.514  16.969  -9.211
   54    HD3  PRO   8          3HD       PRO   8  -4.117  15.414  -9.968
   55    HN1  NH2   9           HN1      NH2   9   0.348  17.742  -8.849
   56    HN2  NH2   9           HN2      NH2   9   0.355  19.456  -9.097
  Start of MODEL    6
    1    H1   ACE   1          1H1       ACE   1   1.663  -0.781  -0.886
    2    H2   ACE   1          2H1       ACE   1   2.588   0.067  -2.148
    3    H3   ACE   1          3H1       ACE   1   3.216  -0.011  -0.484
    4    H    GLU   2           H        GLU   2   3.216   2.374  -1.325
    5    HA   GLU   2           HA       GLU   2   1.091   3.675   0.152
    6    HB2  GLU   2          2HB       GLU   2   2.416   5.693  -0.076
    7    HB3  GLU   2          3HB       GLU   2   3.443   4.366   0.446
    8    HG2  GLU   2          2HG       GLU   2   4.752   5.349  -1.152
    9    HG3  GLU   2          3HG       GLU   2   3.934   4.105  -2.096
   10    H    VAL   3           H        VAL   3  -0.456   5.016  -0.665
   11    HA   VAL   3           HA       VAL   3  -0.464   5.601  -3.529
   12    HB   VAL   3           HB       VAL   3  -2.817   4.308  -2.144
   13   HG11  VAL   3          1HG1      VAL   3  -2.414   5.160  -5.009
   14   HG12  VAL   3          2HG1      VAL   3  -3.805   4.264  -4.396
   15   HG13  VAL   3          3HG1      VAL   3  -3.498   5.909  -3.837
   16   HG21  VAL   3          1HG2      VAL   3  -2.318   2.519  -3.944
   17   HG22  VAL   3          2HG2      VAL   3  -0.704   3.229  -3.972
   18   HG23  VAL   3          3HG2      VAL   3  -1.341   2.546  -2.476
   19    H    ASN   4           H        ASN   4  -1.511   7.477  -4.075
   20    HA   ASN   4           HA       ASN   4  -2.948   8.912  -1.957
   21    HB2  ASN   4          2HB       ASN   4  -1.713  11.008  -2.998
   22    HB3  ASN   4          3HB       ASN   4  -0.963  10.054  -1.722
   23   HD21  ASN   4          1HD2      ASN   4  -1.003  10.739  -5.141
   24   HD22  ASN   4          2HD2      ASN   4   0.556  10.080  -5.490
   25    HA   PRO   5           HA       PRO   5  -5.844  10.031  -5.057
   26    HB2  PRO   5          2HB       PRO   5  -6.527  12.557  -4.333
   27    HB3  PRO   5          3HB       PRO   5  -7.027  11.128  -3.422
   28    HG2  PRO   5          2HG       PRO   5  -4.776  13.026  -2.883
   29    HG3  PRO   5          3HG       PRO   5  -5.938  12.317  -1.746
   30    HD2  PRO   5          2HD       PRO   5  -3.419  11.368  -2.036
   31    HD3  PRO   5          3HD       PRO   5  -4.792  10.321  -1.625
   32    HA   PRO   6           HA       PRO   6  -4.071  12.330  -8.360
   33    HB2  PRO   6          2HB       PRO   6  -6.233  13.514  -9.497
   34    HB3  PRO   6          3HB       PRO   6  -5.913  11.780  -9.618
   35    HG2  PRO   6          2HG       PRO   6  -7.769  13.239  -7.778
   36    HG3  PRO   6          3HG       PRO   6  -8.039  11.735  -8.677
   37    HD2  PRO   6          2HD       PRO   6  -7.406  11.766  -6.044
   38    HD3  PRO   6          3HD       PRO   6  -6.895  10.460  -7.134
   39    H    VAL   7           H        VAL   7  -2.776  13.956  -7.654
   40    HA   VAL   7           HA       VAL   7  -3.996  16.605  -7.410
   41    HB   VAL   7           HB       VAL   7  -1.959  15.579  -5.430
   42   HG11  VAL   7          1HG1      VAL   7  -2.761  18.210  -6.197
   43   HG12  VAL   7          2HG1      VAL   7  -3.270  17.911  -4.535
   44   HG13  VAL   7          3HG1      VAL   7  -1.576  17.720  -4.987
   45   HG21  VAL   7          1HG2      VAL   7  -4.035  16.096  -3.880
   46   HG22  VAL   7          2HG2      VAL   7  -4.929  15.729  -5.355
   47   HG23  VAL   7          3HG2      VAL   7  -3.840  14.528  -4.663
   48    HA   PRO   8           HA       PRO   8  -0.212  16.484 -10.118
   49    HB2  PRO   8          2HB       PRO   8  -1.359  17.811 -12.190
   50    HB3  PRO   8          3HB       PRO   8  -1.463  16.057 -11.998
   51    HG2  PRO   8          2HG       PRO   8  -3.474  18.161 -11.297
   52    HG3  PRO   8          3HG       PRO   8  -3.725  16.590 -12.081
   53    HD2  PRO   8          2HD       PRO   8  -4.223  17.004  -9.451
   54    HD3  PRO   8          3HD       PRO   8  -3.660  15.443 -10.083
   55    HN1  NH2   9           HN1      NH2   9   1.201  17.962  -9.402
   56    HN2  NH2   9           HN2      NH2   9   0.924  19.669  -9.305
  Start of MODEL    7
    1    H1   ACE   1          1H1       ACE   1   1.698   0.534  -3.059
    2    H2   ACE   1          2H1       ACE   1   1.692   0.261  -1.300
    3    H3   ACE   1          3H1       ACE   1   0.199   0.764  -2.127
    4    H    GLU   2           H        GLU   2   0.662   2.258  -0.140
    5    HA   GLU   2           HA       GLU   2   0.889   4.429   0.507
    6    HB2  GLU   2          2HB       GLU   2   3.515   3.819  -0.799
    7    HB3  GLU   2          3HB       GLU   2   3.186   5.448  -0.226
    8    HG2  GLU   2          2HG       GLU   2   4.293   4.457   1.549
    9    HG3  GLU   2          3HG       GLU   2   2.595   4.337   2.004
   10    H    VAL   3           H        VAL   3  -0.407   3.864  -2.070
   11    HA   VAL   3           HA       VAL   3   0.297   5.761  -4.023
   12    HB   VAL   3           HB       VAL   3  -1.926   5.418  -4.959
   13   HG11  VAL   3          1HG1      VAL   3  -0.003   3.429  -4.489
   14   HG12  VAL   3          2HG1      VAL   3  -1.573   2.659  -4.251
   15   HG13  VAL   3          3HG1      VAL   3  -1.212   3.478  -5.772
   16   HG21  VAL   3          1HG2      VAL   3  -3.460   3.804  -3.724
   17   HG22  VAL   3          2HG2      VAL   3  -2.487   4.147  -2.293
   18   HG23  VAL   3          3HG2      VAL   3  -3.363   5.450  -3.097
   19    H    ASN   4           H        ASN   4  -1.238   7.563  -4.702
   20    HA   ASN   4           HA       ASN   4  -2.370   8.988  -2.406
   21    HB2  ASN   4          2HB       ASN   4  -1.291  11.101  -3.579
   22    HB3  ASN   4          3HB       ASN   4  -0.379  10.145  -2.414
   23   HD21  ASN   4          1HD2      ASN   4   1.639   9.990  -3.050
   24   HD22  ASN   4          2HD2      ASN   4   2.180   9.681  -4.661
   25    HA   PRO   5           HA       PRO   5  -5.641  10.102  -5.110
   26    HB2  PRO   5          2HB       PRO   5  -6.246  12.617  -4.288
   27    HB3  PRO   5          3HB       PRO   5  -6.617  11.179  -3.330
   28    HG2  PRO   5          2HG       PRO   5  -4.330  13.092  -3.065
   29    HG3  PRO   5          3HG       PRO   5  -5.335  12.366  -1.797
   30    HD2  PRO   5          2HD       PRO   5  -2.865  11.440  -2.408
   31    HD3  PRO   5          3HD       PRO   5  -4.168  10.379  -1.835
   32    HA   PRO   6           HA       PRO   6  -4.315  12.435  -8.592
   33    HB2  PRO   6          2HB       PRO   6  -6.612  13.608  -9.440
   34    HB3  PRO   6          3HB       PRO   6  -6.296  11.877  -9.613
   35    HG2  PRO   6          2HG       PRO   6  -7.917  13.310  -7.544
   36    HG3  PRO   6          3HG       PRO   6  -8.287  11.809  -8.412
   37    HD2  PRO   6          2HD       PRO   6  -7.327  11.829  -5.880
   38    HD3  PRO   6          3HD       PRO   6  -6.948  10.535  -7.034
   39    H    VAL   7           H        VAL   7  -2.938  13.986  -7.693
   40    HA   VAL   7           HA       VAL   7  -4.165  16.634  -7.274
   41    HB   VAL   7           HB       VAL   7  -1.685  15.622  -5.880
   42   HG11  VAL   7          1HG1      VAL   7  -1.368  17.849  -5.725
   43   HG12  VAL   7          2HG1      VAL   7  -3.064  18.220  -6.046
   44   HG13  VAL   7          3HG1      VAL   7  -2.559  17.721  -4.431
   45   HG21  VAL   7          1HG2      VAL   7  -4.555  15.698  -5.024
   46   HG22  VAL   7          2HG2      VAL   7  -3.390  14.382  -4.888
   47   HG23  VAL   7          3HG2      VAL   7  -3.251  15.794  -3.840
   48    HA   PRO   8           HA       PRO   8  -1.102  16.785 -10.777
   49    HB2  PRO   8          2HB       PRO   8  -2.732  18.157 -12.460
   50    HB3  PRO   8          3HB       PRO   8  -2.737  16.393 -12.343
   51    HG2  PRO   8          2HG       PRO   8  -4.595  18.380 -11.093
   52    HG3  PRO   8          3HG       PRO   8  -4.973  16.837 -11.880
   53    HD2  PRO   8          2HD       PRO   8  -4.866  17.112  -9.188
   54    HD3  PRO   8          3HD       PRO   8  -4.418  15.605 -10.013
   55    HN1  NH2   9           HN1      NH2   9   0.391  18.279 -10.276
   56    HN2  NH2   9           HN2      NH2   9   0.094  19.970 -10.047
  Start of MODEL    8
    1    H1   ACE   1          1H1       ACE   1   6.400   3.860  -0.730
    2    H2   ACE   1          2H1       ACE   1   5.750   5.401  -1.337
    3    H3   ACE   1          3H1       ACE   1   5.433   4.901   0.342
    4    H    GLU   2           H        GLU   2   3.278   5.534  -0.821
    5    HA   GLU   2           HA       GLU   2   2.098   3.113  -2.000
    6    HB2  GLU   2          2HB       GLU   2   1.063   4.726   0.325
    7    HB3  GLU   2          3HB       GLU   2   0.021   3.676  -0.624
    8    HG2  GLU   2          2HG       GLU   2   1.101   1.747   0.090
    9    HG3  GLU   2          3HG       GLU   2   2.533   2.630   0.616
   10    H    VAL   3           H        VAL   3  -0.265   3.691  -2.731
   11    HA   VAL   3           HA       VAL   3  -0.075   5.513  -4.835
   12    HB   VAL   3           HB       VAL   3  -2.528   5.296  -5.046
   13   HG11  VAL   3          1HG1      VAL   3  -1.842   3.509  -6.190
   14   HG12  VAL   3          2HG1      VAL   3  -0.613   3.112  -4.987
   15   HG13  VAL   3          3HG1      VAL   3  -2.274   2.561  -4.767
   16   HG21  VAL   3          1HG2      VAL   3  -2.715   3.323  -2.870
   17   HG22  VAL   3          2HG2      VAL   3  -2.566   5.004  -2.357
   18   HG23  VAL   3          3HG2      VAL   3  -3.886   4.521  -3.421
   19    H    ASN   4           H        ASN   4  -1.992   7.236  -5.054
   20    HA   ASN   4           HA       ASN   4  -2.468   8.789  -2.682
   21    HB2  ASN   4          2HB       ASN   4  -1.352  10.842  -3.926
   22    HB3  ASN   4          3HB       ASN   4  -0.402   9.786  -2.885
   23   HD21  ASN   4          1HD2      ASN   4   1.190   8.556  -3.748
   24   HD22  ASN   4          2HD2      ASN   4   1.656   8.612  -5.411
   25    HA   PRO   5           HA       PRO   5  -5.908  10.231  -4.991
   26    HB2  PRO   5          2HB       PRO   5  -6.215  12.763  -4.061
   27    HB3  PRO   5          3HB       PRO   5  -6.597  11.332  -3.096
   28    HG2  PRO   5          2HG       PRO   5  -4.148  13.052  -3.046
   29    HG3  PRO   5          3HG       PRO   5  -5.066  12.372  -1.689
   30    HD2  PRO   5          2HD       PRO   5  -2.759  11.272  -2.583
   31    HD3  PRO   5          3HD       PRO   5  -4.075  10.301  -1.892
   32    HA   PRO   6           HA       PRO   6  -4.778  12.548  -8.553
   33    HB2  PRO   6          2HB       PRO   6  -7.050  13.921  -9.123
   34    HB3  PRO   6          3HB       PRO   6  -6.896  12.176  -9.362
   35    HG2  PRO   6          2HG       PRO   6  -8.164  13.675  -7.101
   36    HG3  PRO   6          3HG       PRO   6  -8.745  12.231  -7.953
   37    HD2  PRO   6          2HD       PRO   6  -7.522  12.106  -5.540
   38    HD3  PRO   6          3HD       PRO   6  -7.374  10.819  -6.754
   39    H    VAL   7           H        VAL   7  -3.200  13.898  -7.500
   40    HA   VAL   7           HA       VAL   7  -4.098  16.689  -7.273
   41    HB   VAL   7           HB       VAL   7  -2.059  15.412  -5.447
   42   HG11  VAL   7          1HG1      VAL   7  -1.417  17.611  -5.514
   43   HG12  VAL   7          2HG1      VAL   7  -3.051  18.193  -5.843
   44   HG13  VAL   7          3HG1      VAL   7  -2.611  17.668  -4.217
   45   HG21  VAL   7          1HG2      VAL   7  -4.266  14.588  -4.904
   46   HG22  VAL   7          2HG2      VAL   7  -3.748  15.742  -3.675
   47   HG23  VAL   7          3HG2      VAL   7  -4.912  16.229  -4.907
   48    HA   PRO   8           HA       PRO   8  -0.535  16.196 -10.230
   49    HB2  PRO   8          2HB       PRO   8  -1.666  17.660 -12.216
   50    HB3  PRO   8          3HB       PRO   8  -1.942  15.925 -12.026
   51    HG2  PRO   8          2HG       PRO   8  -3.669  18.221 -11.185
   52    HG3  PRO   8          3HG       PRO   8  -4.136  16.694 -11.957
   53    HD2  PRO   8          2HD       PRO   8  -4.416  17.128  -9.299
   54    HD3  PRO   8          3HD       PRO   8  -4.064  15.523  -9.973
   55    HN1  NH2   9           HN1      NH2   9   1.049  17.502  -9.518
   56    HN2  NH2   9           HN2      NH2   9   0.969  19.230  -9.428
  Start of MODEL    9
    1    H1   ACE   1          1H1       ACE   1   5.294   2.466  -4.103
    2    H2   ACE   1          2H1       ACE   1   5.159   4.227  -3.884
    3    H3   ACE   1          3H1       ACE   1   5.654   3.195  -2.521
    4    H    GLU   2           H        GLU   2   3.751   4.715  -1.841
    5    HA   GLU   2           HA       GLU   2   1.442   2.963  -1.643
    6    HB2  GLU   2          2HB       GLU   2   0.708   4.389   0.146
    7    HB3  GLU   2          3HB       GLU   2   2.422   4.068   0.367
    8    HG2  GLU   2          2HG       GLU   2   2.991   6.243  -0.491
    9    HG3  GLU   2          3HG       GLU   2   1.302   6.567  -0.878
   10    H    VAL   3           H        VAL   3  -0.619   3.452  -2.316
   11    HA   VAL   3           HA       VAL   3  -0.880   5.092  -4.607
   12    HB   VAL   3           HB       VAL   3  -2.280   3.112  -4.265
   13   HG11  VAL   3          1HG1      VAL   3  -3.914   4.618  -2.260
   14   HG12  VAL   3          2HG1      VAL   3  -3.866   2.884  -2.589
   15   HG13  VAL   3          3HG1      VAL   3  -2.526   3.661  -1.745
   16   HG21  VAL   3          1HG2      VAL   3  -4.293   5.281  -4.271
   17   HG22  VAL   3          2HG2      VAL   3  -3.006   5.384  -5.473
   18   HG23  VAL   3          3HG2      VAL   3  -4.045   3.960  -5.413
   19    H    ASN   4           H        ASN   4  -1.435   7.167  -4.834
   20    HA   ASN   4           HA       ASN   4  -2.417   8.603  -2.455
   21    HB2  ASN   4          2HB       ASN   4  -1.279  10.614  -3.745
   22    HB3  ASN   4          3HB       ASN   4  -0.337   9.562  -2.694
   23   HD21  ASN   4          1HD2      ASN   4   1.557   9.149  -3.549
   24   HD22  ASN   4          2HD2      ASN   4   1.881   8.834  -5.216
   25    HA   PRO   5           HA       PRO   5  -5.854  10.060  -4.759
   26    HB2  PRO   5          2HB       PRO   5  -6.111  12.613  -3.872
   27    HB3  PRO   5          3HB       PRO   5  -6.508  11.206  -2.878
   28    HG2  PRO   5          2HG       PRO   5  -4.030  12.885  -2.880
   29    HG3  PRO   5          3HG       PRO   5  -4.946  12.246  -1.504
   30    HD2  PRO   5          2HD       PRO   5  -2.666  11.091  -2.398
   31    HD3  PRO   5          3HD       PRO   5  -3.992  10.155  -1.678
   32    HA   PRO   6           HA       PRO   6  -4.719  12.294  -8.372
   33    HB2  PRO   6          2HB       PRO   6  -6.973  13.693  -8.947
   34    HB3  PRO   6          3HB       PRO   6  -6.850  11.942  -9.155
   35    HG2  PRO   6          2HG       PRO   6  -8.072  13.502  -6.911
   36    HG3  PRO   6          3HG       PRO   6  -8.685  12.053  -7.731
   37    HD2  PRO   6          2HD       PRO   6  -7.441  11.951  -5.327
   38    HD3  PRO   6          3HD       PRO   6  -7.327  10.640  -6.518
   39    H    VAL   7           H        VAL   7  -3.102  13.658  -7.472
   40    HA   VAL   7           HA       VAL   7  -3.894  16.466  -7.402
   41    HB   VAL   7           HB       VAL   7  -2.153  15.287  -5.235
   42   HG11  VAL   7          1HG1      VAL   7  -2.884  17.651  -4.274
   43   HG12  VAL   7          2HG1      VAL   7  -1.470  17.458  -5.312
   44   HG13  VAL   7          3HG1      VAL   7  -2.994  18.029  -5.993
   45   HG21  VAL   7          1HG2      VAL   7  -4.163  16.002  -3.788
   46   HG22  VAL   7          2HG2      VAL   7  -5.079  15.935  -5.294
   47   HG23  VAL   7          3HG2      VAL   7  -4.272  14.489  -4.689
   48    HA   PRO   8           HA       PRO   8  -0.020  15.592  -9.822
   49    HB2  PRO   8          2HB       PRO   8  -0.797  16.983 -12.021
   50    HB3  PRO   8          3HB       PRO   8  -1.205  15.282 -11.766
   51    HG2  PRO   8          2HG       PRO   8  -2.874  17.721 -11.293
   52    HG3  PRO   8          3HG       PRO   8  -3.336  16.175 -12.028
   53    HD2  PRO   8          2HD       PRO   8  -3.920  16.799  -9.458
   54    HD3  PRO   8          3HD       PRO   8  -3.589  15.136  -9.986
   55    HN1  NH2   9           HN1      NH2   9   1.098  16.938  -8.318
   56    HN2  NH2   9           HN2      NH2   9   1.286  18.637  -8.594
  Start of MODEL   10
    1    H1   ACE   1          1H1       ACE   1   3.915   0.388  -3.893
    2    H2   ACE   1          2H1       ACE   1   4.723   1.975  -3.881
    3    H3   ACE   1          3H1       ACE   1   4.803   0.924  -2.446
    4    H    GLU   2           H        GLU   2   4.043   3.249  -1.805
    5    HA   GLU   2           HA       GLU   2   1.498   2.995  -0.713
    6    HB2  GLU   2          2HB       GLU   2   3.258   5.394  -1.176
    7    HB3  GLU   2          3HB       GLU   2   1.693   5.533  -0.387
    8    HG2  GLU   2          2HG       GLU   2   3.770   3.615   0.600
    9    HG3  GLU   2          3HG       GLU   2   3.777   5.312   1.078
   10    H    VAL   3           H        VAL   3  -0.188   4.881  -1.058
   11    HA   VAL   3           HA       VAL   3  -0.613   5.376  -3.912
   12    HB   VAL   3           HB       VAL   3  -1.828   3.291  -3.365
   13   HG11  VAL   3          1HG1      VAL   3  -3.733   3.331  -1.869
   14   HG12  VAL   3          2HG1      VAL   3  -2.275   3.808  -0.997
   15   HG13  VAL   3          3HG1      VAL   3  -3.442   5.031  -1.503
   16   HG21  VAL   3          1HG2      VAL   3  -3.685   5.608  -3.889
   17   HG22  VAL   3          2HG2      VAL   3  -2.631   4.876  -5.098
   18   HG23  VAL   3          3HG2      VAL   3  -3.924   3.927  -4.366
   19    H    ASN   4           H        ASN   4  -1.643   7.269  -4.364
   20    HA   ASN   4           HA       ASN   4  -2.897   8.757  -2.182
   21    HB2  ASN   4          2HB       ASN   4  -1.597  10.818  -3.215
   22    HB3  ASN   4          3HB       ASN   4  -0.863   9.814  -1.968
   23   HD21  ASN   4          1HD2      ASN   4  -0.557  11.065  -5.070
   24   HD22  ASN   4          2HD2      ASN   4   0.819  10.151  -5.577
   25    HA   PRO   5           HA       PRO   5  -5.802  10.041  -5.209
   26    HB2  PRO   5          2HB       PRO   5  -6.367  12.581  -4.434
   27    HB3  PRO   5          3HB       PRO   5  -6.909  11.159  -3.534
   28    HG2  PRO   5          2HG       PRO   5  -4.573  12.956  -3.010
   29    HG3  PRO   5          3HG       PRO   5  -5.741  12.276  -1.862
   30    HD2  PRO   5          2HD       PRO   5  -3.269  11.230  -2.215
   31    HD3  PRO   5          3HD       PRO   5  -4.676  10.233  -1.793
   32    HA   PRO   6           HA       PRO   6  -3.999  12.318  -8.510
   33    HB2  PRO   6          2HB       PRO   6  -6.132  13.606  -9.588
   34    HB3  PRO   6          3HB       PRO   6  -5.884  11.863  -9.741
   35    HG2  PRO   6          2HG       PRO   6  -7.645  13.367  -7.844
   36    HG3  PRO   6          3HG       PRO   6  -7.993  11.889  -8.759
   37    HD2  PRO   6          2HD       PRO   6  -7.310  11.853  -6.139
   38    HD3  PRO   6          3HD       PRO   6  -6.873  10.545  -7.258
   39    H    VAL   7           H        VAL   7  -2.627  13.849  -7.681
   40    HA   VAL   7           HA       VAL   7  -3.793  16.510  -7.180
   41    HB   VAL   7           HB       VAL   7  -1.316  15.415  -5.844
   42   HG11  VAL   7          1HG1      VAL   7  -2.916  17.841  -5.079
   43   HG12  VAL   7          2HG1      VAL   7  -1.291  17.386  -4.560
   44   HG13  VAL   7          3HG1      VAL   7  -1.572  17.917  -6.218
   45   HG21  VAL   7          1HG2      VAL   7  -4.181  15.362  -5.053
   46   HG22  VAL   7          2HG2      VAL   7  -2.904  14.182  -4.756
   47   HG23  VAL   7          3HG2      VAL   7  -2.975  15.662  -3.801
   48    HA   PRO   8           HA       PRO   8  -0.746  16.677 -10.703
   49    HB2  PRO   8          2HB       PRO   8  -2.372  18.076 -12.367
   50    HB3  PRO   8          3HB       PRO   8  -2.385  16.311 -12.271
   51    HG2  PRO   8          2HG       PRO   8  -4.232  18.290 -10.994
   52    HG3  PRO   8          3HG       PRO   8  -4.617  16.758 -11.799
   53    HD2  PRO   8          2HD       PRO   8  -4.506  16.999  -9.105
   54    HD3  PRO   8          3HD       PRO   8  -4.065  15.501  -9.949
   55    HN1  NH2   9           HN1      NH2   9   0.710  18.116  -9.892
   56    HN2  NH2   9           HN2      NH2   9   0.438  19.821  -9.753
  Start of MODEL   11
    1    H1   ACE   1          1H1       ACE   1   1.605   0.556  -2.951
    2    H2   ACE   1          2H1       ACE   1   1.998   0.470  -1.217
    3    H3   ACE   1          3H1       ACE   1   0.330   0.814  -1.736
    4    H    GLU   2           H        GLU   2   1.109   2.530  -0.050
    5    HA   GLU   2           HA       GLU   2   1.312   4.768   0.321
    6    HB2  GLU   2          2HB       GLU   2   3.647   4.138  -1.447
    7    HB3  GLU   2          3HB       GLU   2   3.336   5.803  -0.976
    8    HG2  GLU   2          2HG       GLU   2   3.672   5.340   1.297
    9    HG3  GLU   2          3HG       GLU   2   3.556   3.600   1.044
   10    H    VAL   3           H        VAL   3  -0.448   3.873  -1.855
   11    HA   VAL   3           HA       VAL   3  -0.296   5.553  -4.096
   12    HB   VAL   3           HB       VAL   3  -2.652   5.053  -4.465
   13   HG11  VAL   3          1HG1      VAL   3  -1.924   3.109  -5.249
   14   HG12  VAL   3          2HG1      VAL   3  -0.586   3.123  -4.099
   15   HG13  VAL   3          3HG1      VAL   3  -2.130   2.399  -3.648
   16   HG21  VAL   3          1HG2      VAL   3  -3.763   3.525  -2.729
   17   HG22  VAL   3          2HG2      VAL   3  -2.543   4.134  -1.610
   18   HG23  VAL   3          3HG2      VAL   3  -3.676   5.250  -2.372
   19    H    ASN   4           H        ASN   4  -1.683   7.370  -4.641
   20    HA   ASN   4           HA       ASN   4  -2.731   8.906  -2.392
   21    HB2  ASN   4          2HB       ASN   4  -1.514  10.949  -3.555
   22    HB3  ASN   4          3HB       ASN   4  -0.686   9.964  -2.352
   23   HD21  ASN   4          1HD2      ASN   4  -1.086  10.540  -5.786
   24   HD22  ASN   4          2HD2      ASN   4   0.427   9.859  -6.267
   25    HA   PRO   5           HA       PRO   5  -5.861  10.146  -5.206
   26    HB2  PRO   5          2HB       PRO   5  -6.365  12.698  -4.430
   27    HB3  PRO   5          3HB       PRO   5  -6.835  11.291  -3.469
   28    HG2  PRO   5          2HG       PRO   5  -4.466  13.093  -3.154
   29    HG3  PRO   5          3HG       PRO   5  -5.542  12.433  -1.909
   30    HD2  PRO   5          2HD       PRO   5  -3.104  11.379  -2.435
   31    HD3  PRO   5          3HD       PRO   5  -4.474  10.391  -1.891
   32    HA   PRO   6           HA       PRO   6  -4.317  12.370  -8.671
   33    HB2  PRO   6          2HB       PRO   6  -6.527  13.643  -9.601
   34    HB3  PRO   6          3HB       PRO   6  -6.293  11.897  -9.746
   35    HG2  PRO   6          2HG       PRO   6  -7.902  13.433  -7.742
   36    HG3  PRO   6          3HG       PRO   6  -8.319  11.941  -8.605
   37    HD2  PRO   6          2HD       PRO   6  -7.436  11.945  -6.046
   38    HD3  PRO   6          3HD       PRO   6  -7.087  10.620  -7.174
   39    H    VAL   7           H        VAL   7  -2.970  13.789  -7.348
   40    HA   VAL   7           HA       VAL   7  -4.020  16.543  -7.246
   41    HB   VAL   7           HB       VAL   7  -1.886  15.372  -5.458
   42   HG11  VAL   7          1HG1      VAL   7  -2.553  17.560  -4.180
   43   HG12  VAL   7          2HG1      VAL   7  -1.395  17.617  -5.511
   44   HG13  VAL   7          3HG1      VAL   7  -3.074  18.088  -5.780
   45   HG21  VAL   7          1HG2      VAL   7  -3.553  14.511  -4.262
   46   HG22  VAL   7          2HG2      VAL   7  -4.076  16.160  -3.921
   47   HG23  VAL   7          3HG2      VAL   7  -4.765  15.281  -5.285
   48    HA   PRO   8           HA       PRO   8  -0.474  16.373 -10.248
   49    HB2  PRO   8          2HB       PRO   8  -1.711  17.856 -12.156
   50    HB3  PRO   8          3HB       PRO   8  -1.894  16.102 -12.034
   51    HG2  PRO   8          2HG       PRO   8  -3.724  18.269 -11.076
   52    HG3  PRO   8          3HG       PRO   8  -4.123  16.752 -11.903
   53    HD2  PRO   8          2HD       PRO   8  -4.382  17.063  -9.226
   54    HD3  PRO   8          3HD       PRO   8  -3.959  15.508  -9.970
   55    HN1  NH2   9           HN1      NH2   9   0.634  17.706  -8.680
   56    HN2  NH2   9           HN2      NH2   9   0.625  19.432  -8.830
  Start of MODEL   12
    1    H1   ACE   1          1H1       ACE   1   3.050   0.880  -3.384
    2    H2   ACE   1          2H1       ACE   1   3.901   2.426  -3.614
    3    H3   ACE   1          3H1       ACE   1   4.157   1.481  -2.127
    4    H    GLU   2           H        GLU   2   3.575   3.878  -1.569
    5    HA   GLU   2           HA       GLU   2   1.034   3.757  -0.291
    6    HB2  GLU   2          2HB       GLU   2   3.241   5.764  -0.453
    7    HB3  GLU   2          3HB       GLU   2   1.673   6.280   0.151
    8    HG2  GLU   2          2HG       GLU   2   3.046   5.687   2.008
    9    HG3  GLU   2          3HG       GLU   2   1.779   4.473   1.839
   10    H    VAL   3           H        VAL   3  -0.553   3.615  -1.871
   11    HA   VAL   3           HA       VAL   3  -0.798   5.218  -4.139
   12    HB   VAL   3           HB       VAL   3  -3.018   3.994  -2.494
   13   HG11  VAL   3          1HG1      VAL   3  -3.857   5.711  -3.997
   14   HG12  VAL   3          2HG1      VAL   3  -3.003   4.966  -5.350
   15   HG13  VAL   3          3HG1      VAL   3  -4.330   4.109  -4.564
   16   HG21  VAL   3          1HG2      VAL   3  -2.877   2.108  -3.973
   17   HG22  VAL   3          2HG2      VAL   3  -1.639   2.904  -4.945
   18   HG23  VAL   3          3HG2      VAL   3  -1.277   2.405  -3.293
   19    H    ASN   4           H        ASN   4  -1.297   7.288  -4.437
   20    HA   ASN   4           HA       ASN   4  -2.574   8.750  -2.219
   21    HB2  ASN   4          2HB       ASN   4  -1.320  10.757  -3.405
   22    HB3  ASN   4          3HB       ASN   4  -0.494   9.739  -2.229
   23   HD21  ASN   4          1HD2      ASN   4  -0.678  10.748  -5.497
   24   HD22  ASN   4          2HD2      ASN   4   0.687   9.863  -6.080
   25    HA   PRO   5           HA       PRO   5  -5.733  10.108  -4.944
   26    HB2  PRO   5          2HB       PRO   5  -6.131  12.671  -4.144
   27    HB3  PRO   5          3HB       PRO   5  -6.623  11.276  -3.177
   28    HG2  PRO   5          2HG       PRO   5  -4.187  12.997  -2.918
   29    HG3  PRO   5          3HG       PRO   5  -5.252  12.367  -1.648
   30    HD2  PRO   5          2HD       PRO   5  -2.865  11.234  -2.242
   31    HD3  PRO   5          3HD       PRO   5  -4.253  10.289  -1.666
   32    HA   PRO   6           HA       PRO   6  -4.208  12.295  -8.440
   33    HB2  PRO   6          2HB       PRO   6  -6.398  13.646  -9.306
   34    HB3  PRO   6          3HB       PRO   6  -6.226  11.894  -9.464
   35    HG2  PRO   6          2HG       PRO   6  -7.729  13.473  -7.412
   36    HG3  PRO   6          3HG       PRO   6  -8.219  12.000  -8.270
   37    HD2  PRO   6          2HD       PRO   6  -7.269  11.962  -5.734
   38    HD3  PRO   6          3HD       PRO   6  -6.994  10.631  -6.877
   39    H    VAL   7           H        VAL   7  -2.710  13.739  -7.569
   40    HA   VAL   7           HA       VAL   7  -3.726  16.461  -7.067
   41    HB   VAL   7           HB       VAL   7  -1.196  15.270  -5.927
   42   HG11  VAL   7          1HG1      VAL   7  -1.050  17.659  -6.168
   43   HG12  VAL   7          2HG1      VAL   7  -2.632  17.872  -5.415
   44   HG13  VAL   7          3HG1      VAL   7  -1.274  17.271  -4.463
   45   HG21  VAL   7          1HG2      VAL   7  -3.884  15.699  -4.626
   46   HG22  VAL   7          2HG2      VAL   7  -3.112  14.149  -4.959
   47   HG23  VAL   7          3HG2      VAL   7  -2.406  15.248  -3.775
   48    HA   PRO   8           HA       PRO   8  -0.998  16.519 -10.836
   49    HB2  PRO   8          2HB       PRO   8  -2.682  18.042 -12.325
   50    HB3  PRO   8          3HB       PRO   8  -2.795  16.280 -12.248
   51    HG2  PRO   8          2HG       PRO   8  -4.389  18.346 -10.781
   52    HG3  PRO   8          3HG       PRO   8  -4.942  16.854 -11.564
   53    HD2  PRO   8          2HD       PRO   8  -4.566  17.043  -8.889
   54    HD3  PRO   8          3HD       PRO   8  -4.300  15.535  -9.787
   55    HN1  NH2   9           HN1      NH2   9   0.399  17.819  -9.464
   56    HN2  NH2   9           HN2      NH2   9   0.329  19.548  -9.542
  Start of MODEL   13
    1    H1   ACE   1          1H1       ACE   1   3.886   1.725  -5.228
    2    H2   ACE   1          2H1       ACE   1   3.949   3.444  -5.685
    3    H3   ACE   1          3H1       ACE   1   5.031   2.820  -4.417
    4    H    GLU   2           H        GLU   2   3.799   4.874  -3.606
    5    HA   GLU   2           HA       GLU   2   2.002   3.911  -1.585
    6    HB2  GLU   2          2HB       GLU   2   2.983   6.696  -2.230
    7    HB3  GLU   2          3HB       GLU   2   1.991   6.293  -0.835
    8    HG2  GLU   2          2HG       GLU   2   4.713   5.135  -1.389
    9    HG3  GLU   2          3HG       GLU   2   4.397   6.500  -0.319
   10    H    VAL   3           H        VAL   3  -0.128   4.681  -1.187
   11    HA   VAL   3           HA       VAL   3  -1.593   5.243  -3.656
   12    HB   VAL   3           HB       VAL   3  -2.729   4.527  -0.952
   13   HG11  VAL   3          1HG1      VAL   3  -4.584   5.238  -2.016
   14   HG12  VAL   3          2HG1      VAL   3  -3.858   5.073  -3.616
   15   HG13  VAL   3          3HG1      VAL   3  -4.506   3.656  -2.790
   16   HG21  VAL   3          1HG2      VAL   3  -1.788   2.800  -3.218
   17   HG22  VAL   3          2HG2      VAL   3  -1.437   2.657  -1.495
   18   HG23  VAL   3          3HG2      VAL   3  -3.042   2.252  -2.104
   19    H    ASN   4           H        ASN   4  -2.514   7.150  -4.070
   20    HA   ASN   4           HA       ASN   4  -3.306   8.944  -1.953
   21    HB2  ASN   4          2HB       ASN   4  -1.918  10.814  -3.210
   22    HB3  ASN   4          3HB       ASN   4  -1.186   9.842  -1.937
   23   HD21  ASN   4          1HD2      ASN   4  -1.261  10.562  -5.306
   24   HD22  ASN   4          2HD2      ASN   4   0.111   9.614  -5.758
   25    HA   PRO   5           HA       PRO   5  -6.290  10.251  -4.891
   26    HB2  PRO   5          2HB       PRO   5  -6.604  12.877  -4.275
   27    HB3  PRO   5          3HB       PRO   5  -7.196  11.570  -3.242
   28    HG2  PRO   5          2HG       PRO   5  -4.698  13.200  -2.991
   29    HG3  PRO   5          3HG       PRO   5  -5.840  12.700  -1.729
   30    HD2  PRO   5          2HD       PRO   5  -3.484  11.432  -2.147
   31    HD3  PRO   5          3HD       PRO   5  -4.935  10.586  -1.571
   32    HA   PRO   6           HA       PRO   6  -4.531  12.138  -8.452
   33    HB2  PRO   6          2HB       PRO   6  -6.621  13.520  -9.495
   34    HB3  PRO   6          3HB       PRO   6  -6.522  11.756  -9.533
   35    HG2  PRO   6          2HG       PRO   6  -8.034  13.528  -7.653
   36    HG3  PRO   6          3HG       PRO   6  -8.554  12.024  -8.435
   37    HD2  PRO   6          2HD       PRO   6  -7.709  12.113  -5.864
   38    HD3  PRO   6          3HD       PRO   6  -7.448  10.699  -6.906
   39    H    VAL   7           H        VAL   7  -3.084  13.529  -7.226
   40    HA   VAL   7           HA       VAL   7  -3.777  16.356  -7.576
   41    HB   VAL   7           HB       VAL   7  -2.424  15.317  -5.085
   42   HG11  VAL   7          1HG1      VAL   7  -2.733  17.934  -6.263
   43   HG12  VAL   7          2HG1      VAL   7  -3.464  17.864  -4.658
   44   HG13  VAL   7          3HG1      VAL   7  -1.767  17.432  -4.875
   45   HG21  VAL   7          1HG2      VAL   7  -4.647  14.593  -4.877
   46   HG22  VAL   7          2HG2      VAL   7  -4.589  16.118  -3.994
   47   HG23  VAL   7          3HG2      VAL   7  -5.285  16.064  -5.613
   48    HA   PRO   8           HA       PRO   8   0.391  15.256  -9.308
   49    HB2  PRO   8          2HB       PRO   8   0.005  16.536 -11.671
   50    HB3  PRO   8          3HB       PRO   8  -0.496  14.864 -11.391
   51    HG2  PRO   8          2HG       PRO   8  -2.132  17.370 -11.310
   52    HG3  PRO   8          3HG       PRO   8  -2.530  15.796 -12.024
   53    HD2  PRO   8          2HD       PRO   8  -3.475  16.584  -9.611
   54    HD3  PRO   8          3HD       PRO   8  -3.126  14.885  -9.992
   55    HN1  NH2   9           HN1      NH2   9   1.425  16.623  -7.814
   56    HN2  NH2   9           HN2      NH2   9   1.669  18.311  -8.115
  Start of MODEL   14
    1    H1   ACE   1          1H1       ACE   1   1.495  -0.820  -1.686
    2    H2   ACE   1          2H1       ACE   1   2.930   0.074  -2.241
    3    H3   ACE   1          3H1       ACE   1   2.722  -0.289  -0.511
    4    H    GLU   2           H        GLU   2   3.206   2.169  -0.852
    5    HA   GLU   2           HA       GLU   2   1.023   3.573   0.132
    6    HB2  GLU   2          2HB       GLU   2   2.332   5.596  -0.238
    7    HB3  GLU   2          3HB       GLU   2   3.349   4.312   0.401
    8    HG2  GLU   2          2HG       GLU   2   4.036   3.844  -1.983
    9    HG3  GLU   2          3HG       GLU   2   3.234   5.354  -2.411
   10    H    VAL   3           H        VAL   3  -0.324   5.182  -0.770
   11    HA   VAL   3           HA       VAL   3  -0.403   5.579  -3.625
   12    HB   VAL   3           HB       VAL   3  -1.589   3.442  -3.441
   13   HG11  VAL   3          1HG1      VAL   3  -3.821   4.713  -1.941
   14   HG12  VAL   3          2HG1      VAL   3  -3.336   3.019  -2.027
   15   HG13  VAL   3          3HG1      VAL   3  -2.414   4.153  -1.038
   16   HG21  VAL   3          1HG2      VAL   3  -3.865   5.218  -3.960
   17   HG22  VAL   3          2HG2      VAL   3  -2.386   5.648  -4.819
   18   HG23  VAL   3          3HG2      VAL   3  -3.082   4.039  -5.012
   19    H    ASN   4           H        ASN   4  -1.415   7.452  -4.174
   20    HA   ASN   4           HA       ASN   4  -3.040   8.806  -2.142
   21    HB2  ASN   4          2HB       ASN   4  -1.769  10.953  -3.024
   22    HB3  ASN   4          3HB       ASN   4  -1.106   9.980  -1.715
   23   HD21  ASN   4          1HD2      ASN   4   0.836   9.071  -1.961
   24   HD22  ASN   4          2HD2      ASN   4   1.767   9.106  -3.415
   25    HA   PRO   5           HA       PRO   5  -5.696   9.951  -5.441
   26    HB2  PRO   5          2HB       PRO   5  -6.490  12.442  -4.712
   27    HB3  PRO   5          3HB       PRO   5  -7.033  10.980  -3.881
   28    HG2  PRO   5          2HG       PRO   5  -4.875  12.907  -3.110
   29    HG3  PRO   5          3HG       PRO   5  -6.111  12.144  -2.092
   30    HD2  PRO   5          2HD       PRO   5  -3.556  11.253  -2.197
   31    HD3  PRO   5          3HD       PRO   5  -4.935  10.168  -1.927
   32    HA   PRO   6           HA       PRO   6  -3.710  12.372  -8.527
   33    HB2  PRO   6          2HB       PRO   6  -5.797  13.543  -9.808
   34    HB3  PRO   6          3HB       PRO   6  -5.430  11.820  -9.946
   35    HG2  PRO   6          2HG       PRO   6  -7.462  13.193  -8.229
   36    HG3  PRO   6          3HG       PRO   6  -7.624  11.708  -9.184
   37    HD2  PRO   6          2HD       PRO   6  -7.209  11.680  -6.509
   38    HD3  PRO   6          3HD       PRO   6  -6.583  10.415  -7.585
   39    H    VAL   7           H        VAL   7  -2.507  14.032  -7.778
   40    HA   VAL   7           HA       VAL   7  -3.896  16.574  -7.239
   41    HB   VAL   7           HB       VAL   7  -1.401  15.615  -5.831
   42   HG11  VAL   7          1HG1      VAL   7  -2.598  18.201  -6.142
   43   HG12  VAL   7          2HG1      VAL   7  -2.645  17.717  -4.445
   44   HG13  VAL   7          3HG1      VAL   7  -1.108  17.754  -5.311
   45   HG21  VAL   7          1HG2      VAL   7  -4.292  15.535  -5.078
   46   HG22  VAL   7          2HG2      VAL   7  -3.043  14.308  -4.864
   47   HG23  VAL   7          3HG2      VAL   7  -3.063  15.735  -3.829
   48    HA   PRO   8           HA       PRO   8  -0.774  17.049 -10.664
   49    HB2  PRO   8          2HB       PRO   8  -2.454  18.366 -12.342
   50    HB3  PRO   8          3HB       PRO   8  -2.341  16.603 -12.285
   51    HG2  PRO   8          2HG       PRO   8  -4.359  18.414 -11.016
   52    HG3  PRO   8          3HG       PRO   8  -4.612  16.878 -11.865
   53    HD2  PRO   8          2HD       PRO   8  -4.588  17.063  -9.164
   54    HD3  PRO   8          3HD       PRO   8  -4.019  15.620 -10.027
   55    HN1  NH2   9           HN1      NH2   9   0.436  18.523  -9.443
   56    HN2  NH2   9           HN2      NH2   9   0.081  20.218  -9.403
  Start of MODEL   15
    1    H1   ACE   1          1H1       ACE   1   4.451   2.927  -5.548
    2    H2   ACE   1          2H1       ACE   1   3.706   4.487  -5.973
    3    H3   ACE   1          3H1       ACE   1   5.076   4.434  -4.838
    4    H    GLU   2           H        GLU   2   3.159   5.762  -3.859
    5    HA   GLU   2           HA       GLU   2   1.843   3.944  -1.961
    6    HB2  GLU   2          2HB       GLU   2   2.800   6.781  -1.760
    7    HB3  GLU   2          3HB       GLU   2   1.567   6.182  -0.660
    8    HG2  GLU   2          2HG       GLU   2   3.265   4.250  -0.253
    9    HG3  GLU   2          3HG       GLU   2   4.433   5.403  -0.896
   10    H    VAL   3           H        VAL   3  -0.329   3.945  -1.686
   11    HA   VAL   3           HA       VAL   3  -1.992   4.892  -3.743
   12    HB   VAL   3           HB       VAL   3  -2.784   4.064  -0.947
   13   HG11  VAL   3          1HG1      VAL   3  -4.926   3.428  -2.256
   14   HG12  VAL   3          2HG1      VAL   3  -4.670   5.113  -1.798
   15   HG13  VAL   3          3HG1      VAL   3  -4.340   4.587  -3.449
   16   HG21  VAL   3          1HG2      VAL   3  -2.334   2.504  -3.476
   17   HG22  VAL   3          2HG2      VAL   3  -1.624   2.243  -1.882
   18   HG23  VAL   3          3HG2      VAL   3  -3.330   1.890  -2.156
   19    H    ASN   4           H        ASN   4  -2.591   6.906  -4.152
   20    HA   ASN   4           HA       ASN   4  -3.535   8.621  -2.023
   21    HB2  ASN   4          2HB       ASN   4  -1.999  10.502  -3.075
   22    HB3  ASN   4          3HB       ASN   4  -1.401   9.453  -1.793
   23   HD21  ASN   4          1HD2      ASN   4   0.698   9.290  -2.244
   24   HD22  ASN   4          2HD2      ASN   4   1.352   8.724  -3.740
   25    HA   PRO   5           HA       PRO   5  -6.231  10.144  -5.131
   26    HB2  PRO   5          2HB       PRO   5  -6.526  12.748  -4.422
   27    HB3  PRO   5          3HB       PRO   5  -7.235  11.416  -3.502
   28    HG2  PRO   5          2HG       PRO   5  -4.725  12.957  -2.972
   29    HG3  PRO   5          3HG       PRO   5  -5.980  12.437  -1.833
   30    HD2  PRO   5          2HD       PRO   5  -3.632  11.118  -2.115
   31    HD3  PRO   5          3HD       PRO   5  -5.147  10.292  -1.700
   32    HA   PRO   6           HA       PRO   6  -4.133  12.133  -8.445
   33    HB2  PRO   6          2HB       PRO   6  -6.094  13.621  -9.590
   34    HB3  PRO   6          3HB       PRO   6  -6.037  11.858  -9.701
   35    HG2  PRO   6          2HG       PRO   6  -7.653  13.590  -7.871
   36    HG3  PRO   6          3HG       PRO   6  -8.146  12.138  -8.761
   37    HD2  PRO   6          2HD       PRO   6  -7.514  12.088  -6.129
   38    HD3  PRO   6          3HD       PRO   6  -7.206  10.715  -7.211
   39    H    VAL   7           H        VAL   7  -2.638  13.489  -7.457
   40    HA   VAL   7           HA       VAL   7  -3.485  16.298  -7.175
   41    HB   VAL   7           HB       VAL   7  -1.319  14.962  -5.550
   42   HG11  VAL   7          1HG1      VAL   7  -1.572  17.052  -4.173
   43   HG12  VAL   7          2HG1      VAL   7  -0.873  17.286  -5.777
   44   HG13  VAL   7          3HG1      VAL   7  -2.561  17.704  -5.479
   45   HG21  VAL   7          1HG2      VAL   7  -3.133  15.541  -3.706
   46   HG22  VAL   7          2HG2      VAL   7  -4.230  15.305  -5.067
   47   HG23  VAL   7          3HG2      VAL   7  -3.145  14.005  -4.573
   48    HA   PRO   8           HA       PRO   8  -0.126  15.918 -10.376
   49    HB2  PRO   8          2HB       PRO   8  -1.370  17.480 -12.215
   50    HB3  PRO   8          3HB       PRO   8  -1.651  15.740 -12.086
   51    HG2  PRO   8          2HG       PRO   8  -3.296  18.007 -11.031
   52    HG3  PRO   8          3HG       PRO   8  -3.827  16.520 -11.839
   53    HD2  PRO   8          2HD       PRO   8  -3.929  16.833  -9.151
   54    HD3  PRO   8          3HD       PRO   8  -3.637  15.259  -9.919
   55    HN1  NH2   9           HN1      NH2   9   1.181  17.169  -8.926
   56    HN2  NH2   9           HN2      NH2   9   1.250  18.895  -9.050
  Start of MODEL   16
    1    H1   ACE   1          1H1       ACE   1   2.226   0.766  -3.409
    2    H2   ACE   1          2H1       ACE   1   2.393   0.482  -1.660
    3    H3   ACE   1          3H1       ACE   1   0.777   0.677  -2.380
    4    H    GLU   2           H        GLU   2   1.058   2.217  -0.394
    5    HA   GLU   2           HA       GLU   2   0.856   4.388   0.269
    6    HB2  GLU   2          2HB       GLU   2   3.494   4.342  -1.159
    7    HB3  GLU   2          3HB       GLU   2   2.872   5.849  -0.501
    8    HG2  GLU   2          2HG       GLU   2   2.708   4.750   1.717
    9    HG3  GLU   2          3HG       GLU   2   3.482   3.327   1.021
   10    H    VAL   3           H        VAL   3  -0.428   3.612  -2.243
   11    HA   VAL   3           HA       VAL   3  -0.203   5.472  -4.283
   12    HB   VAL   3           HB       VAL   3  -1.582   3.495  -4.530
   13   HG11  VAL   3          1HG1      VAL   3  -2.589   4.184  -2.038
   14   HG12  VAL   3          2HG1      VAL   3  -3.947   4.419  -3.141
   15   HG13  VAL   3          3HG1      VAL   3  -3.131   2.857  -3.064
   16   HG21  VAL   3          1HG2      VAL   3  -3.283   4.426  -5.827
   17   HG22  VAL   3          2HG2      VAL   3  -3.484   5.804  -4.745
   18   HG23  VAL   3          3HG2      VAL   3  -2.059   5.695  -5.777
   19    H    ASN   4           H        ASN   4  -0.859   7.523  -4.606
   20    HA   ASN   4           HA       ASN   4  -2.262   8.849  -2.381
   21    HB2  ASN   4          2HB       ASN   4  -1.198  10.946  -3.596
   22    HB3  ASN   4          3HB       ASN   4  -0.259   9.981  -2.460
   23   HD21  ASN   4          1HD2      ASN   4   1.593   9.138  -3.130
   24   HD22  ASN   4          2HD2      ASN   4   2.130   9.075  -4.770
   25    HA   PRO   5           HA       PRO   5  -5.610   9.996  -4.974
   26    HB2  PRO   5          2HB       PRO   5  -6.156  12.521  -4.139
   27    HB3  PRO   5          3HB       PRO   5  -6.512  11.089  -3.165
   28    HG2  PRO   5          2HG       PRO   5  -4.194  12.975  -2.983
   29    HG3  PRO   5          3HG       PRO   5  -5.163  12.264  -1.679
   30    HD2  PRO   5          2HD       PRO   5  -2.727  11.306  -2.372
   31    HD3  PRO   5          3HD       PRO   5  -4.023  10.263  -1.752
   32    HA   PRO   6           HA       PRO   6  -4.375  12.306  -8.506
   33    HB2  PRO   6          2HB       PRO   6  -6.685  13.505  -9.278
   34    HB3  PRO   6          3HB       PRO   6  -6.397  11.770  -9.457
   35    HG2  PRO   6          2HG       PRO   6  -7.929  13.227  -7.338
   36    HG3  PRO   6          3HG       PRO   6  -8.346  11.729  -8.189
   37    HD2  PRO   6          2HD       PRO   6  -7.300  11.743  -5.691
   38    HD3  PRO   6          3HD       PRO   6  -6.976  10.441  -6.855
   39    H    VAL   7           H        VAL   7  -2.954  13.823  -7.567
   40    HA   VAL   7           HA       VAL   7  -4.109  16.515  -7.269
   41    HB   VAL   7           HB       VAL   7  -1.817  15.431  -5.627
   42   HG11  VAL   7          1HG1      VAL   7  -2.784  18.092  -6.169
   43   HG12  VAL   7          2HG1      VAL   7  -2.892  17.720  -4.448
   44   HG13  VAL   7          3HG1      VAL   7  -1.346  17.578  -5.287
   45   HG21  VAL   7          1HG2      VAL   7  -4.679  15.966  -4.836
   46   HG22  VAL   7          2HG2      VAL   7  -3.908  14.385  -4.958
   47   HG23  VAL   7          3HG2      VAL   7  -3.376  15.533  -3.730
   48    HA   PRO   8           HA       PRO   8  -0.769  16.449 -10.503
   49    HB2  PRO   8          2HB       PRO   8  -2.186  17.867 -12.334
   50    HB3  PRO   8          3HB       PRO   8  -2.294  16.109 -12.188
   51    HG2  PRO   8          2HG       PRO   8  -4.136  18.214 -11.123
   52    HG3  PRO   8          3HG       PRO   8  -4.532  16.677 -11.913
   53    HD2  PRO   8          2HD       PRO   8  -4.624  17.001  -9.226
   54    HD3  PRO   8          3HD       PRO   8  -4.192  15.456  -9.987
   55    HN1  NH2   9           HN1      NH2   9   0.643  17.836  -9.493
   56    HN2  NH2   9           HN2      NH2   9   0.462  19.558  -9.474
  Start of MODEL   17
    1    H1   ACE   1          1H1       ACE   1   2.260  -0.841  -1.729
    2    H2   ACE   1          2H1       ACE   1   3.057   0.160  -2.967
    3    H3   ACE   1          3H1       ACE   1   3.743   0.057  -1.327
    4    H    GLU   2           H        GLU   2   3.483   2.471  -2.035
    5    HA   GLU   2           HA       GLU   2   1.414   3.520  -0.348
    6    HB2  GLU   2          2HB       GLU   2   3.309   5.052  -2.133
    7    HB3  GLU   2          3HB       GLU   2   2.416   5.676  -0.753
    8    HG2  GLU   2          2HG       GLU   2   3.716   4.328   0.758
    9    HG3  GLU   2          3HG       GLU   2   4.545   3.556  -0.593
   10    H    VAL   3           H        VAL   3   0.047   5.382  -1.093
   11    HA   VAL   3           HA       VAL   3  -0.650   5.521  -3.876
   12    HB   VAL   3           HB       VAL   3  -1.832   3.473  -3.335
   13   HG11  VAL   3          1HG1      VAL   3  -3.616   3.451  -1.636
   14   HG12  VAL   3          2HG1      VAL   3  -2.022   3.734  -0.932
   15   HG13  VAL   3          3HG1      VAL   3  -3.145   5.077  -1.144
   16   HG21  VAL   3          1HG2      VAL   3  -2.857   5.369  -4.754
   17   HG22  VAL   3          2HG2      VAL   3  -3.900   4.043  -4.237
   18   HG23  VAL   3          3HG2      VAL   3  -3.952   5.589  -3.389
   19    H    ASN   4           H        ASN   4  -1.889   7.313  -4.366
   20    HA   ASN   4           HA       ASN   4  -3.097   8.864  -2.231
   21    HB2  ASN   4          2HB       ASN   4  -1.788  10.925  -3.252
   22    HB3  ASN   4          3HB       ASN   4  -1.080   9.945  -1.972
   23   HD21  ASN   4          1HD2      ASN   4  -0.836  10.999  -5.207
   24   HD22  ASN   4          2HD2      ASN   4   0.617  10.156  -5.614
   25    HA   PRO   5           HA       PRO   5  -5.926  10.081  -5.355
   26    HB2  PRO   5          2HB       PRO   5  -6.539  12.624  -4.628
   27    HB3  PRO   5          3HB       PRO   5  -7.092  11.207  -3.727
   28    HG2  PRO   5          2HG       PRO   5  -4.790  13.035  -3.158
   29    HG3  PRO   5          3HG       PRO   5  -5.984  12.357  -2.036
   30    HD2  PRO   5          2HD       PRO   5  -3.492  11.333  -2.305
   31    HD3  PRO   5          3HD       PRO   5  -4.901  10.326  -1.912
   32    HA   PRO   6           HA       PRO   6  -4.052  12.337  -8.631
   33    HB2  PRO   6          2HB       PRO   6  -6.166  13.590  -9.785
   34    HB3  PRO   6          3HB       PRO   6  -5.897  11.847  -9.910
   35    HG2  PRO   6          2HG       PRO   6  -7.726  13.356  -8.082
   36    HG3  PRO   6          3HG       PRO   6  -8.033  11.863  -8.990
   37    HD2  PRO   6          2HD       PRO   6  -7.425  11.865  -6.351
   38    HD3  PRO   6          3HD       PRO   6  -6.943  10.549  -7.441
   39    H    VAL   7           H        VAL   7  -2.767  13.825  -7.481
   40    HA   VAL   7           HA       VAL   7  -3.919  16.532  -7.298
   41    HB   VAL   7           HB       VAL   7  -1.779  15.404  -5.489
   42   HG11  VAL   7          1HG1      VAL   7  -1.325  17.554  -5.120
   43   HG12  VAL   7          2HG1      VAL   7  -2.740  18.085  -6.032
   44   HG13  VAL   7          3HG1      VAL   7  -2.897  17.656  -4.328
   45   HG21  VAL   7          1HG2      VAL   7  -3.665  15.760  -3.758
   46   HG22  VAL   7          2HG2      VAL   7  -4.742  15.694  -5.153
   47   HG23  VAL   7          3HG2      VAL   7  -3.705  14.319  -4.773
   48    HA   PRO   8           HA       PRO   8  -0.297  16.485 -10.224
   49    HB2  PRO   8          2HB       PRO   8  -1.551  17.886 -12.183
   50    HB3  PRO   8          3HB       PRO   8  -1.652  16.127 -12.045
   51    HG2  PRO   8          2HG       PRO   8  -3.611  18.211 -11.162
   52    HG3  PRO   8          3HG       PRO   8  -3.912  16.668 -11.983
   53    HD2  PRO   8          2HD       PRO   8  -4.261  16.993  -9.317
   54    HD3  PRO   8          3HD       PRO   8  -3.742  15.453 -10.032
   55    HN1  NH2   9           HN1      NH2   9   0.560  17.899  -8.494
   56    HN2  NH2   9           HN2      NH2   9   0.524  19.616  -8.720
  Start of MODEL   18
    1    H1   ACE   1          1H1       ACE   1   1.761   0.420  -3.250
    2    H2   ACE   1          2H1       ACE   1   1.914   0.156  -1.496
    3    H3   ACE   1          3H1       ACE   1   0.325   0.534  -2.204
    4    H    GLU   2           H        GLU   2   0.821   2.070  -0.258
    5    HA   GLU   2           HA       GLU   2   0.893   4.264   0.354
    6    HB2  GLU   2          2HB       GLU   2   3.444   3.451  -0.193
    7    HB3  GLU   2          3HB       GLU   2   3.304   4.872  -1.217
    8    HG2  GLU   2          2HG       GLU   2   2.683   6.221   0.707
    9    HG3  GLU   2          3HG       GLU   2   2.771   4.798   1.744
   10    H    VAL   3           H        VAL   3  -0.598   3.674  -2.022
   11    HA   VAL   3           HA       VAL   3  -0.103   5.489  -4.113
   12    HB   VAL   3           HB       VAL   3  -2.378   5.091  -4.830
   13   HG11  VAL   3          1HG1      VAL   3  -2.063   2.385  -3.986
   14   HG12  VAL   3          2HG1      VAL   3  -1.717   3.102  -5.561
   15   HG13  VAL   3          3HG1      VAL   3  -0.472   3.072  -4.312
   16   HG21  VAL   3          1HG2      VAL   3  -3.832   5.182  -3.084
   17   HG22  VAL   3          2HG2      VAL   3  -3.668   3.429  -3.195
   18   HG23  VAL   3          3HG2      VAL   3  -2.745   4.326  -1.989
   19    H    ASN   4           H        ASN   4  -1.363   7.394  -4.682
   20    HA   ASN   4           HA       ASN   4  -2.470   8.843  -2.382
   21    HB2  ASN   4          2HB       ASN   4  -1.307  10.909  -3.560
   22    HB3  ASN   4          3HB       ASN   4  -0.430   9.911  -2.403
   23   HD21  ASN   4          1HD2      ASN   4  -0.591  11.055  -5.594
   24   HD22  ASN   4          2HD2      ASN   4   0.763  10.187  -6.226
   25    HA   PRO   5           HA       PRO   5  -5.708  10.105  -5.060
   26    HB2  PRO   5          2HB       PRO   5  -6.196  12.644  -4.230
   27    HB3  PRO   5          3HB       PRO   5  -6.623  11.221  -3.272
   28    HG2  PRO   5          2HG       PRO   5  -4.252  13.031  -3.020
   29    HG3  PRO   5          3HG       PRO   5  -5.279  12.348  -1.746
   30    HD2  PRO   5          2HD       PRO   5  -2.856  11.315  -2.376
   31    HD3  PRO   5          3HD       PRO   5  -4.201  10.311  -1.795
   32    HA   PRO   6           HA       PRO   6  -4.306  12.385  -8.548
   33    HB2  PRO   6          2HB       PRO   6  -6.555  13.659  -9.378
   34    HB3  PRO   6          3HB       PRO   6  -6.317  11.916  -9.556
   35    HG2  PRO   6          2HG       PRO   6  -7.858  13.416  -7.472
   36    HG3  PRO   6          3HG       PRO   6  -8.300  11.934  -8.340
   37    HD2  PRO   6          2HD       PRO   6  -7.322  11.907  -5.815
   38    HD3  PRO   6          3HD       PRO   6  -7.009  10.599  -6.975
   39    H    VAL   7           H        VAL   7  -2.871  13.837  -7.491
   40    HA   VAL   7           HA       VAL   7  -3.959  16.559  -7.176
   41    HB   VAL   7           HB       VAL   7  -1.613  15.435  -5.644
   42   HG11  VAL   7          1HG1      VAL   7  -2.445  17.562  -4.236
   43   HG12  VAL   7          2HG1      VAL   7  -1.227  17.661  -5.510
   44   HG13  VAL   7          3HG1      VAL   7  -2.904  18.084  -5.857
   45   HG21  VAL   7          1HG2      VAL   7  -4.496  15.763  -4.833
   46   HG22  VAL   7          2HG2      VAL   7  -3.548  14.276  -4.867
   47   HG23  VAL   7          3HG2      VAL   7  -3.177  15.531  -3.684
   48    HA   PRO   8           HA       PRO   8  -0.690  16.480 -10.497
   49    HB2  PRO   8          2HB       PRO   8  -2.148  17.884 -12.306
   50    HB3  PRO   8          3HB       PRO   8  -2.242  16.126 -12.154
   51    HG2  PRO   8          2HG       PRO   8  -4.079  18.223 -11.063
   52    HG3  PRO   8          3HG       PRO   8  -4.479  16.680 -11.841
   53    HD2  PRO   8          2HD       PRO   8  -4.526  17.012  -9.154
   54    HD3  PRO   8          3HD       PRO   8  -4.098  15.467  -9.918
   55    HN1  NH2   9           HN1      NH2   9   0.592  17.873  -9.213
   56    HN2  NH2   9           HN2      NH2   9   0.453  19.597  -9.310
  Start of MODEL   19
    1    H1   ACE   1          1H1       ACE   1   6.312   3.623  -3.558
    2    H2   ACE   1          2H1       ACE   1   5.618   5.237  -3.841
    3    H3   ACE   1          3H1       ACE   1   6.170   4.778  -2.212
    4    H    GLU   2           H        GLU   2   3.812   5.689  -2.129
    5    HA   GLU   2           HA       GLU   2   2.017   3.351  -2.116
    6    HB2  GLU   2          2HB       GLU   2   2.245   5.666  -0.198
    7    HB3  GLU   2          3HB       GLU   2   0.832   4.621  -0.247
    8    HG2  GLU   2          2HG       GLU   2   2.570   2.708   0.023
    9    HG3  GLU   2          3HG       GLU   2   3.617   3.997   0.614
   10    H    VAL   3           H        VAL   3  -0.289   3.834  -2.352
   11    HA   VAL   3           HA       VAL   3  -0.836   5.348  -4.635
   12    HB   VAL   3           HB       VAL   3  -3.216   5.029  -4.102
   13   HG11  VAL   3          1HG1      VAL   3  -1.392   2.665  -3.731
   14   HG12  VAL   3          2HG1      VAL   3  -3.141   2.511  -3.911
   15   HG13  VAL   3          3HG1      VAL   3  -2.178   3.214  -5.211
   16   HG21  VAL   3          1HG2      VAL   3  -2.110   4.536  -1.421
   17   HG22  VAL   3          2HG2      VAL   3  -3.685   5.167  -1.902
   18   HG23  VAL   3          3HG2      VAL   3  -3.386   3.429  -1.927
   19    H    ASN   4           H        ASN   4  -2.706   7.043  -4.596
   20    HA   ASN   4           HA       ASN   4  -2.962   8.809  -2.422
   21    HB2  ASN   4          2HB       ASN   4  -1.681  10.725  -3.722
   22    HB3  ASN   4          3HB       ASN   4  -0.831   9.662  -2.605
   23   HD21  ASN   4          1HD2      ASN   4  -1.763   9.866  -6.018
   24   HD22  ASN   4          2HD2      ASN   4  -0.292   9.203  -6.636
   25    HA   PRO   5           HA       PRO   5  -6.234  10.351  -4.904
   26    HB2  PRO   5          2HB       PRO   5  -6.405  12.939  -4.101
   27    HB3  PRO   5          3HB       PRO   5  -6.906  11.583  -3.084
   28    HG2  PRO   5          2HG       PRO   5  -4.353  13.146  -3.035
   29    HG3  PRO   5          3HG       PRO   5  -5.352  12.591  -1.678
   30    HD2  PRO   5          2HD       PRO   5  -3.096  11.306  -2.447
   31    HD3  PRO   5          3HD       PRO   5  -4.491  10.455  -1.754
   32    HA   PRO   6           HA       PRO   6  -4.855  12.420  -8.530
   33    HB2  PRO   6          2HB       PRO   6  -7.016  13.903  -9.235
   34    HB3  PRO   6          3HB       PRO   6  -6.968  12.143  -9.388
   35    HG2  PRO   6          2HG       PRO   6  -8.202  13.825  -7.241
   36    HG3  PRO   6          3HG       PRO   6  -8.850  12.382  -8.043
   37    HD2  PRO   6          2HD       PRO   6  -7.707  12.296  -5.590
   38    HD3  PRO   6          3HD       PRO   6  -7.608  10.945  -6.737
   39    H    VAL   7           H        VAL   7  -3.255  13.694  -7.323
   40    HA   VAL   7           HA       VAL   7  -3.888  16.554  -7.475
   41    HB   VAL   7           HB       VAL   7  -2.348  15.356  -5.171
   42   HG11  VAL   7          1HG1      VAL   7  -3.001  17.757  -4.296
   43   HG12  VAL   7          2HG1      VAL   7  -1.571  17.504  -5.299
   44   HG13  VAL   7          3HG1      VAL   7  -3.059  18.117  -6.021
   45   HG21  VAL   7          1HG2      VAL   7  -5.209  16.293  -5.317
   46   HG22  VAL   7          2HG2      VAL   7  -4.631  14.673  -4.928
   47   HG23  VAL   7          3HG2      VAL   7  -4.339  16.005  -3.810
   48    HA   PRO   8           HA       PRO   8   0.087  15.419  -9.608
   49    HB2  PRO   8          2HB       PRO   8  -0.474  16.776 -11.891
   50    HB3  PRO   8          3HB       PRO   8  -0.982  15.105 -11.617
   51    HG2  PRO   8          2HG       PRO   8  -2.555  17.635 -11.325
   52    HG3  PRO   8          3HG       PRO   8  -3.044  16.091 -12.046
   53    HD2  PRO   8          2HD       PRO   8  -3.763  16.821  -9.540
   54    HD3  PRO   8          3HD       PRO   8  -3.482  15.129  -9.997
   55    HN1  NH2   9           HN1      NH2   9   1.473  16.664  -8.412
   56    HN2  NH2   9           HN2      NH2   9   1.648  18.378  -8.593
  Start of MODEL   20
    1    H1   ACE   1          1H1       ACE   1   1.487   0.535  -2.834
    2    H2   ACE   1          2H1       ACE   1   2.083   0.569  -1.157
    3    H3   ACE   1          3H1       ACE   1   0.368   0.905  -1.499
    4    H    GLU   2           H        GLU   2   1.360   2.724  -0.049
    5    HA   GLU   2           HA       GLU   2   1.641   4.977   0.131
    6    HB2  GLU   2          2HB       GLU   2   3.721   4.175  -1.870
    7    HB3  GLU   2          3HB       GLU   2   3.486   5.877  -1.497
    8    HG2  GLU   2          2HG       GLU   2   3.738   5.160   0.957
    9    HG3  GLU   2          3HG       GLU   2   4.414   3.672   0.297
   10    H    VAL   3           H        VAL   3  -0.388   3.952  -1.743
   11    HA   VAL   3           HA       VAL   3  -0.511   5.487  -4.090
   12    HB   VAL   3           HB       VAL   3  -2.907   4.991  -4.118
   13   HG11  VAL   3          1HG1      VAL   3  -1.553   3.245  -4.945
   14   HG12  VAL   3          2HG1      VAL   3  -1.065   2.751  -3.323
   15   HG13  VAL   3          3HG1      VAL   3  -2.719   2.475  -3.870
   16   HG21  VAL   3          1HG2      VAL   3  -3.886   5.086  -2.093
   17   HG22  VAL   3          2HG2      VAL   3  -3.485   3.370  -2.030
   18   HG23  VAL   3          3HG2      VAL   3  -2.434   4.551  -1.248
   19    H    ASN   4           H        ASN   4  -2.246   7.159  -4.505
   20    HA   ASN   4           HA       ASN   4  -3.092   8.822  -2.341
   21    HB2  ASN   4          2HB       ASN   4  -1.761  10.833  -3.430
   22    HB3  ASN   4          3HB       ASN   4  -1.023   9.821  -2.191
   23   HD21  ASN   4          1HD2      ASN   4  -1.366  10.141  -5.694
   24   HD22  ASN   4          2HD2      ASN   4   0.203   9.528  -6.080
   25    HA   PRO   5           HA       PRO   5  -6.038  10.160  -5.304
   26    HB2  PRO   5          2HB       PRO   5  -6.509  12.722  -4.542
   27    HB3  PRO   5          3HB       PRO   5  -7.068  11.326  -3.614
   28    HG2  PRO   5          2HG       PRO   5  -4.668  13.059  -3.170
   29    HG3  PRO   5          3HG       PRO   5  -5.824  12.425  -1.985
   30    HD2  PRO   5          2HD       PRO   5  -3.393  11.305  -2.390
   31    HD3  PRO   5          3HD       PRO   5  -4.817  10.353  -1.922
   32    HA   PRO   6           HA       PRO   6  -4.258  12.350  -8.676
   33    HB2  PRO   6          2HB       PRO   6  -6.381  13.689  -9.711
   34    HB3  PRO   6          3HB       PRO   6  -6.188  11.938  -9.852
   35    HG2  PRO   6          2HG       PRO   6  -7.854  13.512  -7.925
   36    HG3  PRO   6          3HG       PRO   6  -8.268  12.035  -8.816
   37    HD2  PRO   6          2HD       PRO   6  -7.517  12.005  -6.215
   38    HD3  PRO   6          3HD       PRO   6  -7.148  10.674  -7.330
   39    H    VAL   7           H        VAL   7  -2.932  13.730  -7.302
   40    HA   VAL   7           HA       VAL   7  -3.920  16.508  -7.208
   41    HB   VAL   7           HB       VAL   7  -1.837  15.304  -5.384
   42   HG11  VAL   7          1HG1      VAL   7  -1.894  17.336  -4.193
   43   HG12  VAL   7          2HG1      VAL   7  -1.795  17.791  -5.895
   44   HG13  VAL   7          3HG1      VAL   7  -3.337  17.887  -5.044
   45   HG21  VAL   7          1HG2      VAL   7  -4.778  15.785  -4.950
   46   HG22  VAL   7          2HG2      VAL   7  -3.905  14.257  -4.834
   47   HG23  VAL   7          3HG2      VAL   7  -3.630  15.523  -3.637
   48    HA   PRO   8           HA       PRO   8  -0.298  16.291 -10.115
   49    HB2  PRO   8          2HB       PRO   8  -1.449  17.823 -12.038
   50    HB3  PRO   8          3HB       PRO   8  -1.675  16.073 -11.941
   51    HG2  PRO   8          2HG       PRO   8  -3.480  18.270 -11.007
   52    HG3  PRO   8          3HG       PRO   8  -3.891  16.773 -11.863
   53    HD2  PRO   8          2HD       PRO   8  -4.216  17.059  -9.190
   54    HD3  PRO   8          3HD       PRO   8  -3.808  15.503  -9.941
   55    HN1  NH2   9           HN1      NH2   9   1.210  17.594  -9.229
   56    HN2  NH2   9           HN2      NH2   9   1.088  19.315  -9.083