*HEADER    TOXIN                                   18-OCT-05   2BC8              
*TITLE     [SEC2,3,8,12]-IMI                                                     
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: ALPHA-CONOTOXIN IMI;                                       
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: SOLID PHASE PEPTIDE SYNTHESIS                         
*KEYWDS    HELIX, DISULFIDE BOND, DISELENIDE BOND, CONOTOXIN                     
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    C.J.ARMISHAW                                                          
*REVDAT   1   14-MAR-06 2BC8    0                                                


          
assign (resid   1 and name  HA#)   (resid   3 and name   HN)   3.435    1.635    1.635  
assign (resid   2 and name   HN)   (resid   3 and name   HN)   2.410    0.610    0.610   
assign (resid   2 and name   HN)   (resid  12 and name   HN)   0  0  5  
assign (resid   2 and name   HA)   (resid   3 and name   HN)   2.610    0.810    0.810  
assign (resid   2 and name  HB#)   (resid   3 and name   HN)   0  0  5 
assign (resid   3 and name   HN)   (resid   4 and name   HN)   2.270    0.470    0.470  
assign (resid   3 and name   HN)   (resid   8 and name  HB#)   4.090    2.290    2.290  
assign (resid   3 and name   HN)   (resid   9 and name  HB#)   4.165    2.365    2.365  
assign (resid   3 and name   HN)   (resid  12 and name  HB2)   3.650    1.850    1.850  
assign (resid   3 and name   HN)   (resid  12 and name  HB1)   3.650    1.850    1.850  
assign (resid   3 and name   HA)   (resid   3 and name  HB2)   2.365    0.565    0.565  
assign (resid   3 and name   HA)   (resid   3 and name  HB1)   2.365    0.565    0.565  
assign (resid   3 and name   HA)   (resid   3 and name  HB#)   2.200    0.400    0.400  
assign (resid   3 and name   HA)   (resid   4 and name   HN)   2.410    0.610    0.610  
assign (resid   3 and name   HA)   (resid   5 and name   HN)   2.705    0.905    0.905  
assign (resid   3 and name   HA)   (resid   8 and name  HB#)   3.265    1.465    1.465  
assign (resid   3 and name   HA)   (resid  12 and name  HB#)   3.360    1.560    1.560  
assign (resid   3 and name  HB2)   (resid   4 and name   HN)   0  0  5 
assign (resid   3 and name  HB1)   (resid   4 and name   HN)   0  0  3.5 
assign (resid   3 and name  HB#)   (resid   4 and name   HN)   0  0  5
assign (resid   3 and name  HB#)   (resid   9 and name  HB#)   4.600    2.800    2.800  
assign (resid   4 and name   HA)   (resid   5 and name   HN)   2.455    0.655    0.655  
assign (resid   4 and name  HB2)   (resid   5 and name   HN)   3.185    1.385    1.385  
assign (resid   4 and name  HB1)   (resid   5 and name   HN)   3.185    1.385    1.385  
assign (resid   4 and name  HB#)   (resid   5 and name   HN)   2.925    1.125    1.125  
assign (resid   5 and name   HN)   (resid   6 and name  HD#)   4.090    2.290    2.290  
assign (resid   5 and name   HN)   (resid   8 and name  HB#)   3.420    1.620    1.620  
assign (resid   5 and name   HN)   (resid   9 and name  HB#)   3.545    1.745    1.745  
assign (resid   5 and name   HA)   (resid   6 and name  HD2)   2.520    0.720    0.720  
assign (resid   5 and name   HA)   (resid   6 and name  HD1)   2.520    0.720    0.720  
assign (resid   5 and name   HA)   (resid   6 and name  HD#)   2.425    0.625    0.625  
assign (resid   5 and name   HA)   (resid   7 and name   HN)   3.015    1.215    1.215  
assign (resid   5 and name  HB#)   (resid   7 and name   HN)   4.040    2.240    2.240  
assign (resid   5 and name  HB#)   (resid   8 and name   HN)   3.685    1.885    1.885  
assign (resid   5 and name  HB#)   (resid   8 and name  HB#)   4.355    2.555    2.555  
assign (resid   6 and name   HA)   (resid   7 and name   HN)   2.640    0.840    0.840  
assign (resid   6 and name   HA)   (resid   8 and name   HN)   2.905    1.105    1.105  
assign (resid   6 and name   HA)   (resid   9 and name   HN)   2.750    0.950    0.950  
assign (resid   6 and name   HA)   (resid   9 and name  HB#)   3.360    1.560    1.560  
assign (resid   6 and name   HA)   (resid  10 and name   HN)   3.650    1.850    1.850  
assign (resid   6 and name  HB#)   (resid   9 and name  HB#)   4.600    2.800    2.800  
assign (resid   6 and name  HD#)   (resid   7 and name   HN)   3.175    1.375    1.375  
assign (resid   6 and name  HD#)   (resid   8 and name   HN)   4.090    2.290    2.290  
assign (resid   7 and name   HN)   (resid   8 and name   HN)   2.130    0.330    0.330  
assign (resid   7 and name   HA)   (resid   8 and name   HN)   2.610    0.810    0.810  
assign (resid   7 and name   HA)   (resid   9 and name   HN)   3.570    1.770    1.770  
assign (resid   7 and name  HB2)   (resid   8 and name   HN)   2.890    1.090    1.090  
assign (resid   7 and name  HB1)   (resid   8 and name   HN)   2.890    1.090    1.090  
assign (resid   7 and name  HB#)   (resid   8 and name   HN)   2.720    0.920    0.920  
assign (resid   7 and name  HB#)   (resid  10 and name  HE3)   0  0  5   
assign (resid   7 and name  HG#)   (resid   8 and name   HN)   4.090    2.290    2.290  
assign (resid   7 and name  HG#)   (resid  10 and name  HE3)   3.685    1.885    1.885   
assign (resid   8 and name   HN)   (resid  10 and name  HB#)   3.795    1.995    1.995  
assign (resid   8 and name   HA)   (resid   9 and name   HN)   2.650    0.850    0.850  
assign (resid   8 and name  HB2)   (resid   9 and name   HN)   2.765    0.965    0.965  
assign (resid   8 and name  HB1)   (resid   9 and name   HN)   2.765    0.965    0.965  
assign (resid   8 and name  HB#)   (resid   9 and name   HN)   2.675    0.875    0.875  
assign (resid   9 and name   HN)   (resid  11 and name   HN)   3.200    1.400    1.400  
assign (resid   9 and name   HA)   (resid  10 and name   HN)   2.595    0.795    0.795  
assign (resid   9 and name   HA)   (resid  11 and name   HN)   2.935    1.135    1.135  
assign (resid   9 and name   HA)   (resid  12 and name  HB#)   2.990    1.190    1.190  
assign (resid   9 and name  HB#)   (resid  12 and name   HN)   4.165    2.365    2.365  
assign (resid   9 and name  HB#)   (resid  12 and name  HB#)   4.600    2.800    2.800  
assign (resid  10 and name   HN)   (resid  12 and name  HB#)   3.935    2.135    2.135  
assign (resid  10 and name   HA)   (resid  11 and name   HN)   0 0 3.5  
assign (resid  10 and name  HB2)   (resid  11 and name   HN)   3.230    1.430    1.430  
assign (resid  10 and name  HB1)   (resid  11 and name   HN)   3.230    1.430    1.430  
assign (resid  10 and name  HB#)   (resid  11 and name   HN)   3.095    1.925    1.295  
assign (resid  10 and name  HE3)   (resid  11 and name   HA)   0 0 3.5  
assign (resid  11 and name   HN)   (resid  12 and name   HN)   0 0 3.5 
assign (resid  11 and name   HA)   (resid  12 and name   HN)   0 0 3.5

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    GLY   1           H        GLY   1  -8.741   3.211   1.692
    2   1HA   GLY   1          2HA       GLY   1  -9.904   1.420   0.504
    3   2HA   GLY   1          1HA       GLY   1  -9.721   2.800  -0.570
    4   1HN   SEC   2          H         SEC   2  -6.920   2.516  -0.989
    5    HA   SEC   2           HA       SEC   2  -6.950   0.228  -2.819
    6   1HB   SEC   2          1HB       SEC   2  -5.060   2.602  -2.662
    7   2HB   SEC   2          2HB       SEC   2  -6.400   2.436  -3.797
    8   1HN   SEC   3          H         SEC   3  -6.813  -0.599  -0.349
    9    HA   SEC   3           HA       SEC   3  -4.035  -0.746   0.498
   10   1HB   SEC   3          1HB       SEC   3  -6.166  -2.179   1.946
   11   2HB   SEC   3          2HB       SEC   3  -6.304  -0.421   1.886
   12    H    SER   4           H        SER   4  -5.600  -2.335  -1.718
   13    HA   SER   4           HA       SER   4  -5.032  -5.066  -0.937
   14   1HB   SER   4          2HB       SER   4  -6.087  -4.066  -3.582
   15   2HB   SER   4          1HB       SER   4  -6.193  -5.704  -2.936
   16    HG   SER   4           HG       SER   4  -7.972  -5.103  -2.019
   17    H    ASP   5           H        ASP   5  -2.742  -3.211  -1.409
   18    HA   ASP   5           HA       ASP   5  -1.205  -5.012  -3.084
   19   1HB   ASP   5          2HB       ASP   5  -1.943  -3.427  -4.779
   20   2HB   ASP   5          1HB       ASP   5  -1.458  -2.072  -3.770
   21    HA   PRO   6           HA       PRO   6   1.749  -4.267   0.129
   22   1HB   PRO   6          2HB       PRO   6   4.058  -4.451  -1.427
   23   2HB   PRO   6          1HB       PRO   6   3.228  -5.798  -0.644
   24   1HG   PRO   6          2HG       PRO   6   3.056  -4.848  -3.469
   25   2HG   PRO   6          1HG       PRO   6   3.046  -6.505  -2.837
   26   1HD   PRO   6          2HD       PRO   6   0.791  -5.333  -3.656
   27   2HD   PRO   6          1HD       PRO   6   0.803  -6.389  -2.228
   28    H    ARG   7           H        ARG   7   1.937  -2.440  -2.882
   29    HA   ARG   7           HA       ARG   7   3.453  -0.311  -1.521
   30   1HB   ARG   7          2HB       ARG   7   2.837  -0.797  -4.422
   31   2HB   ARG   7          1HB       ARG   7   3.624   0.646  -3.801
   32   1HG   ARG   7          2HG       ARG   7   5.580  -0.376  -3.541
   33   2HG   ARG   7          1HG       ARG   7   4.836  -1.848  -2.914
   34   1HD   ARG   7          2HD       ARG   7   5.184  -1.026  -5.792
   35   2HD   ARG   7          1HD       ARG   7   5.855  -2.440  -4.981
   36    HE   ARG   7           HE       ARG   7   3.007  -2.478  -4.894
   37   1HH1  ARG   7          1HH1      ARG   7   5.703  -3.031  -7.061
   38   2HH1  ARG   7          2HH1      ARG   7   4.833  -4.138  -8.068
   39   1HH2  ARG   7          1HH2      ARG   7   1.846  -3.943  -6.202
   40   2HH2  ARG   7          2HH2      ARG   7   2.635  -4.655  -7.582
   41   1HN   SEC   8          H         SEC   8   0.518  -1.029  -1.475
   42    HA   SEC   8           HA       SEC   8  -0.433   1.707  -1.831
   43   1HB   SEC   8          1HB       SEC   8  -2.499  -0.281  -2.387
   44   2HB   SEC   8          2HB       SEC   8  -1.148  -0.374  -3.519
   45    H    ALA   9           H        ALA   9  -0.101  -1.093  -0.008
   46    HA   ALA   9           HA       ALA   9  -2.286  -0.897   1.764
   47   1HB   ALA   9          1HB       ALA   9  -1.296  -2.597   2.902
   48   2HB   ALA   9          2HB       ALA   9   0.293  -1.833   2.858
   49   3HB   ALA   9          3HB       ALA   9  -0.305  -2.707   1.447
   50    H    TRP  10           H        TRP  10   0.979   0.397   1.728
   51    HA   TRP  10           HA       TRP  10   0.352   2.074   4.007
   52   1HB   TRP  10          2HB       TRP  10   2.757   2.948   3.541
   53   2HB   TRP  10          1HB       TRP  10   2.504   1.412   4.335
   54    HD1  TRP  10           HD       TRP  10   4.012  -0.412   3.544
   55    HE1  TRP  10           1HE      TRP  10   5.440  -0.894   1.469
   56    HE3  TRP  10           3HE      TRP  10   2.545   3.504   0.564
   57    HZ2  TRP  10           2HZ      TRP  10   5.914   0.227  -1.060
   58    HZ3  TRP  10           3HZ      TRP  10   3.559   3.728  -1.651
   59    HH2  TRP  10           HH       TRP  10   5.204   2.117  -2.454
   60    H    ARG  11           H        ARG  11  -1.157   2.400   1.739
   61    HA   ARG  11           HA       ARG  11  -0.631   5.209   1.165
   62   1HB   ARG  11          2HB       ARG  11   0.170   3.713  -0.751
   63   2HB   ARG  11          1HB       ARG  11  -1.523   3.318  -1.013
   64   1HG   ARG  11          2HG       ARG  11  -1.908   5.828  -1.203
   65   2HG   ARG  11          1HG       ARG  11  -0.154   5.967  -1.327
   66   1HD   ARG  11          2HD       ARG  11  -2.010   4.466  -3.164
   67   2HD   ARG  11          1HD       ARG  11  -1.074   5.910  -3.540
   68    HE   ARG  11           HE       ARG  11   0.653   3.819  -2.743
   69   1HH1  ARG  11          1HH1      ARG  11  -1.370   4.823  -5.413
   70   2HH1  ARG  11          2HH1      ARG  11  -0.476   3.936  -6.599
   71   1HH2  ARG  11          1HH2      ARG  11   1.831   2.625  -4.296
   72   2HH2  ARG  11          2HH2      ARG  11   1.356   2.683  -5.963
   73   1HN   SEC  12          H         SEC  12  -2.667   2.686   2.049
   74    HA   SEC  12           HA       SEC  12  -5.161   3.879   1.222
   75   1HB   SEC  12          1HB       SEC  12  -4.676   1.355   1.372
   76   2HB   SEC  12          2HB       SEC  12  -6.199   1.916   2.064
  Start of MODEL    2
    1   1H    GLY   1           H        GLY   1  -8.880   3.691   0.848
    2   1HA   GLY   1          2HA       GLY   1 -10.070   1.804  -0.244
    3   2HA   GLY   1          1HA       GLY   1  -9.641   3.055  -1.402
    4   1HN   SEC   2          H         SEC   2  -6.827   2.490  -1.367
    5    HA   SEC   2           HA       SEC   2  -6.832   0.064  -2.997
    6   1HB   SEC   2          1HB       SEC   2  -4.599   2.103  -2.766
    7   2HB   SEC   2          2HB       SEC   2  -5.908   2.257  -3.940
    8   1HN   SEC   3          H         SEC   3  -7.127  -0.745  -0.669
    9    HA   SEC   3           HA       SEC   3  -4.609  -0.887   0.783
   10   1HB   SEC   3          1HB       SEC   3  -7.023  -2.277   1.738
   11   2HB   SEC   3          2HB       SEC   3  -7.127  -0.519   1.626
   12    H    SER   4           H        SER   4  -5.517  -2.491  -1.726
   13    HA   SER   4           HA       SER   4  -4.938  -5.170  -0.674
   14   1HB   SER   4          2HB       SER   4  -6.223  -4.463  -3.312
   15   2HB   SER   4          1HB       SER   4  -6.094  -6.068  -2.592
   16    HG   SER   4           HG       SER   4  -7.373  -5.240  -0.834
   17    H    ASP   5           H        ASP   5  -2.790  -3.248  -1.336
   18    HA   ASP   5           HA       ASP   5  -1.239  -5.058  -2.989
   19   1HB   ASP   5          2HB       ASP   5  -2.095  -3.634  -4.750
   20   2HB   ASP   5          1HB       ASP   5  -1.675  -2.186  -3.855
   21    HA   PRO   6           HA       PRO   6   1.857  -4.086   0.013
   22   1HB   PRO   6          2HB       PRO   6   3.747  -4.187  -2.288
   23   2HB   PRO   6          1HB       PRO   6   3.820  -5.025  -0.735
   24   1HG   PRO   6          2HG       PRO   6   3.098  -6.330  -2.933
   25   2HG   PRO   6          1HG       PRO   6   2.291  -6.646  -1.386
   26   1HD   PRO   6          2HD       PRO   6   1.329  -5.094  -3.746
   27   2HD   PRO   6          1HD       PRO   6   0.420  -6.128  -2.626
   28    H    ARG   7           H        ARG   7   1.931  -2.337  -3.064
   29    HA   ARG   7           HA       ARG   7   3.375  -0.090  -1.856
   30   1HB   ARG   7          2HB       ARG   7   2.415  -0.634  -4.655
   31   2HB   ARG   7          1HB       ARG   7   3.178   0.865  -4.149
   32   1HG   ARG   7          2HG       ARG   7   5.221  -0.033  -4.092
   33   2HG   ARG   7          1HG       ARG   7   4.638  -1.575  -3.461
   34   1HD   ARG   7          2HD       ARG   7   4.573  -0.612  -6.317
   35   2HD   ARG   7          1HD       ARG   7   5.480  -1.977  -5.665
   36    HE   ARG   7           HE       ARG   7   2.675  -2.299  -5.235
   37   1HH1  ARG   7          1HH1      ARG   7   5.140  -2.537  -7.711
   38   2HH1  ARG   7          2HH1      ARG   7   4.271  -3.709  -8.644
   39   1HH2  ARG   7          1HH2      ARG   7   1.520  -3.852  -6.442
   40   2HH2  ARG   7          2HH2      ARG   7   2.207  -4.454  -7.925
   41   1HN   SEC   8          H         SEC   8   0.548  -1.019  -1.467
   42    HA   SEC   8           HA       SEC   8  -0.719   1.602  -1.734
   43   1HB   SEC   8          1HB       SEC   8  -2.839  -0.047  -1.890
   44   2HB   SEC   8          2HB       SEC   8  -1.615  -1.060  -2.640
   45    H    ALA   9           H        ALA   9   0.021  -1.159   0.149
   46    HA   ALA   9           HA       ALA   9  -1.911  -0.927   2.181
   47   1HB   ALA   9          1HB       ALA   9   0.089  -1.976   3.559
   48   2HB   ALA   9          2HB       ALA   9   0.761  -2.209   1.943
   49   3HB   ALA   9          3HB       ALA   9  -0.799  -2.918   2.360
   50    H    TRP  10           H        TRP  10   1.155   0.605   1.550
   51    HA   TRP  10           HA       TRP  10   0.802   2.260   3.920
   52   1HB   TRP  10          2HB       TRP  10   3.090   3.221   3.149
   53   2HB   TRP  10          1HB       TRP  10   3.009   1.693   3.992
   54    HD1  TRP  10           HD       TRP  10   4.446  -0.116   3.031
   55    HE1  TRP  10           1HE      TRP  10   5.648  -0.561   0.810
   56    HE3  TRP  10           3HE      TRP  10   2.556   3.758   0.246
   57    HZ2  TRP  10           2HZ      TRP  10   5.807   0.571  -1.754
   58    HZ3  TRP  10           3HZ      TRP  10   3.309   4.009  -2.070
   59    HH2  TRP  10           HH       TRP  10   4.896   2.442  -3.055
   60    H    ARG  11           H        ARG  11  -1.006   2.465   1.899
   61    HA   ARG  11           HA       ARG  11  -0.647   5.259   1.124
   62   1HB   ARG  11          2HB       ARG  11  -0.190   3.674  -0.834
   63   2HB   ARG  11          1HB       ARG  11  -1.897   3.255  -0.759
   64   1HG   ARG  11          2HG       ARG  11  -2.410   5.690  -1.047
   65   2HG   ARG  11          1HG       ARG  11  -0.692   5.944  -1.357
   66   1HD   ARG  11          2HD       ARG  11  -2.625   4.278  -2.956
   67   2HD   ARG  11          1HD       ARG  11  -1.810   5.756  -3.461
   68    HE   ARG  11           HE       ARG  11   0.064   3.728  -2.772
   69   1HH1  ARG  11          1HH1      ARG  11  -2.106   4.775  -5.308
   70   2HH1  ARG  11          2HH1      ARG  11  -1.270   3.921  -6.559
   71   1HH2  ARG  11          1HH2      ARG  11   1.165   2.583  -4.407
   72   2HH2  ARG  11          2HH2      ARG  11   0.599   2.669  -6.046
   73   1HN   SEC  12          H         SEC  12  -2.677   2.499   1.821
   74    HA   SEC  12           HA       SEC  12  -5.147   4.004   1.863
   75   1HB   SEC  12          1HB       SEC  12  -5.238   1.697   1.108
   76   2HB   SEC  12          2HB       SEC  12  -6.101   1.810   2.644
  Start of MODEL    3
    1   1H    GLY   1           H        GLY   1  -8.246   3.730   0.563
    2   1HA   GLY   1          2HA       GLY   1  -9.790   1.949  -0.326
    3   2HA   GLY   1          1HA       GLY   1  -9.262   3.098  -1.547
    4   1HN   SEC   2          H         SEC   2  -6.564   2.173  -1.694
    5    HA   SEC   2           HA       SEC   2  -7.008  -0.269  -3.273
    6   1HB   SEC   2          1HB       SEC   2  -4.700   1.711  -3.167
    7   2HB   SEC   2          2HB       SEC   2  -5.939   1.631  -4.415
    8   1HN   SEC   3          H         SEC   3  -7.026  -0.339  -0.439
    9    HA   SEC   3           HA       SEC   3  -4.602  -0.972   0.755
   10   1HB   SEC   3          1HB       SEC   3  -7.047  -2.284   1.755
   11   2HB   SEC   3          2HB       SEC   3  -7.079  -0.522   1.642
   12    H    SER   4           H        SER   4  -5.842  -2.638  -1.666
   13    HA   SER   4           HA       SER   4  -5.109  -5.291  -0.656
   14   1HB   SER   4          2HB       SER   4  -6.460  -4.582  -3.266
   15   2HB   SER   4          1HB       SER   4  -6.287  -6.193  -2.569
   16    HG   SER   4           HG       SER   4  -7.495  -5.260  -0.721
   17    H    ASP   5           H        ASP   5  -3.055  -3.311  -1.268
   18    HA   ASP   5           HA       ASP   5  -1.443  -4.932  -3.060
   19   1HB   ASP   5          2HB       ASP   5  -2.406  -3.413  -4.671
   20   2HB   ASP   5          1HB       ASP   5  -2.031  -2.027  -3.655
   21    HA   PRO   6           HA       PRO   6   1.647  -4.128  -0.041
   22   1HB   PRO   6          2HB       PRO   6   3.514  -4.093  -2.353
   23   2HB   PRO   6          1HB       PRO   6   3.586  -5.034  -0.859
   24   1HG   PRO   6          2HG       PRO   6   2.836  -6.183  -3.131
   25   2HG   PRO   6          1HG       PRO   6   2.024  -6.583  -1.606
   26   1HD   PRO   6          2HD       PRO   6   1.096  -4.843  -3.850
   27   2HD   PRO   6          1HD       PRO   6   0.168  -5.960  -2.829
   28    H    ARG   7           H        ARG   7   1.900  -2.131  -3.000
   29    HA   ARG   7           HA       ARG   7   3.406  -0.116  -1.509
   30   1HB   ARG   7          2HB       ARG   7   3.782   1.001  -3.471
   31   2HB   ARG   7          1HB       ARG   7   3.735  -0.668  -4.019
   32   1HG   ARG   7          2HG       ARG   7   1.143   0.073  -4.332
   33   2HG   ARG   7          1HG       ARG   7   1.971   1.602  -4.630
   34   1HD   ARG   7          2HD       ARG   7   2.006   0.750  -6.745
   35   2HD   ARG   7          1HD       ARG   7   3.504   0.043  -6.134
   36    HE   ARG   7           HE       ARG   7   1.316  -1.668  -5.583
   37   1HH1  ARG   7          1HH1      ARG   7   3.354  -0.616  -8.240
   38   2HH1  ARG   7          2HH1      ARG   7   3.076  -2.043  -9.180
   39   1HH2  ARG   7          1HH2      ARG   7   0.930  -3.521  -6.796
   40   2HH2  ARG   7          2HH2      ARG   7   1.686  -3.711  -8.357
   41   1HN   SEC   8          H         SEC   8   0.309  -0.906  -2.071
   42    HA   SEC   8           HA       SEC   8  -0.799   1.757  -1.789
   43   1HB   SEC   8          1HB       SEC   8  -2.973   0.418  -1.869
   44   2HB   SEC   8          2HB       SEC   8  -1.964  -0.955  -2.291
   45    H    ALA   9           H        ALA   9  -0.021  -1.039   0.011
   46    HA   ALA   9           HA       ALA   9  -1.791  -0.802   2.173
   47   1HB   ALA   9          1HB       ALA   9   0.733  -2.208   1.634
   48   2HB   ALA   9          2HB       ALA   9  -0.739  -2.781   2.417
   49   3HB   ALA   9          3HB       ALA   9   0.438  -1.836   3.333
   50    H    TRP  10           H        TRP  10   1.171   0.778   1.302
   51    HA   TRP  10           HA       TRP  10   1.093   2.289   3.783
   52   1HB   TRP  10          2HB       TRP  10   3.290   3.256   2.979
   53   2HB   TRP  10          1HB       TRP  10   3.267   1.578   3.457
   54    HD1  TRP  10           HD       TRP  10   4.403  -0.052   1.915
   55    HE1  TRP  10           1HE      TRP  10   5.427   0.050  -0.435
   56    HE3  TRP  10           3HE      TRP  10   2.726   4.562   0.470
   57    HZ2  TRP  10           2HZ      TRP  10   5.536   1.842  -2.603
   58    HZ3  TRP  10           3HZ      TRP  10   3.354   5.402  -1.748
   59    HH2  TRP  10           HH       TRP  10   4.725   4.064  -3.258
   60    H    ARG  11           H        ARG  11  -0.851   2.505   1.725
   61    HA   ARG  11           HA       ARG  11  -0.684   5.393   1.218
   62   1HB   ARG  11          2HB       ARG  11  -1.731   3.256  -0.644
   63   2HB   ARG  11          1HB       ARG  11  -2.160   4.949  -0.817
   64   1HG   ARG  11          2HG       ARG  11   0.650   3.871  -0.916
   65   2HG   ARG  11          1HG       ARG  11  -0.346   4.232  -2.325
   66   1HD   ARG  11          2HD       ARG  11   1.051   6.109  -2.030
   67   2HD   ARG  11          1HD       ARG  11  -0.532   6.591  -1.421
   68    HE   ARG  11           HE       ARG  11   1.009   5.568   0.703
   69   1HH1  ARG  11          1HH1      ARG  11   0.860   8.362  -1.404
   70   2HH1  ARG  11          2HH1      ARG  11   1.591   9.428  -0.252
   71   1HH2  ARG  11          1HH2      ARG  11   1.965   6.948   2.217
   72   2HH2  ARG  11          2HH2      ARG  11   2.224   8.617   1.827
   73   1HN   SEC  12          H         SEC  12  -2.641   2.528   1.806
   74    HA   SEC  12           HA       SEC  12  -5.045   4.036   2.379
   75   1HB   SEC  12          1HB       SEC  12  -5.245   1.836   1.320
   76   2HB   SEC  12          2HB       SEC  12  -5.986   1.791   2.922
  Start of MODEL    4
    1   1H    GLY   1           H        GLY   1  -9.099   2.981   1.305
    2   1HA   GLY   1          2HA       GLY   1 -10.061   1.271  -0.142
    3   2HA   GLY   1          1HA       GLY   1  -9.746   2.710  -1.102
    4   1HN   SEC   2          H         SEC   2  -6.901   2.446  -1.093
    5    HA   SEC   2           HA       SEC   2  -6.639   0.324  -3.089
    6   1HB   SEC   2          1HB       SEC   2  -4.623   2.479  -2.408
    7   2HB   SEC   2          2HB       SEC   2  -5.934   2.734  -3.559
    8   1HN   SEC   3          H         SEC   3  -6.907  -0.632  -0.600
    9    HA   SEC   3           HA       SEC   3  -4.277  -1.069   0.552
   10   1HB   SEC   3          1HB       SEC   3  -6.701  -2.402   1.607
   11   2HB   SEC   3          2HB       SEC   3  -6.634  -0.643   1.726
   12    H    SER   4           H        SER   4  -5.773  -2.359  -1.924
   13    HA   SER   4           HA       SER   4  -5.416  -5.175  -1.322
   14   1HB   SER   4          2HB       SER   4  -6.201  -3.917  -3.956
   15   2HB   SER   4          1HB       SER   4  -6.456  -5.587  -3.447
   16    HG   SER   4           HG       SER   4  -8.275  -4.931  -2.655
   17    H    ASP   5           H        ASP   5  -3.119  -3.227  -1.559
   18    HA   ASP   5           HA       ASP   5  -1.403  -4.959  -3.117
   19   1HB   ASP   5          2HB       ASP   5  -1.876  -3.535  -4.917
   20   2HB   ASP   5          1HB       ASP   5  -1.997  -2.114  -3.889
   21    HA   PRO   6           HA       PRO   6   1.032  -4.105   0.490
   22   1HB   PRO   6          2HB       PRO   6   3.314  -4.899  -1.231
   23   2HB   PRO   6          1HB       PRO   6   2.806  -5.551   0.332
   24   1HG   PRO   6          2HG       PRO   6   2.391  -6.916  -1.923
   25   2HG   PRO   6          1HG       PRO   6   1.195  -6.922  -0.613
   26   1HD   PRO   6          2HD       PRO   6   1.166  -5.428  -3.203
   27   2HD   PRO   6          1HD       PRO   6  -0.173  -6.204  -2.333
   28    H    ARG   7           H        ARG   7   2.091  -2.971  -2.662
   29    HA   ARG   7           HA       ARG   7   3.895  -0.987  -1.680
   30   1HB   ARG   7          2HB       ARG   7   4.053  -1.780  -3.968
   31   2HB   ARG   7          1HB       ARG   7   2.400  -1.274  -4.277
   32   1HG   ARG   7          2HG       ARG   7   3.337   1.089  -3.638
   33   2HG   ARG   7          1HG       ARG   7   4.871   0.354  -4.121
   34   1HD   ARG   7          2HD       ARG   7   3.519   1.556  -5.932
   35   2HD   ARG   7          1HD       ARG   7   4.114  -0.065  -6.300
   36    HE   ARG   7           HE       ARG   7   1.590  -0.410  -5.217
   37   1HH1  ARG   7          1HH1      ARG   7   2.922   1.224  -8.019
   38   2HH1  ARG   7          2HH1      ARG   7   1.512   0.966  -8.987
   39   1HH2  ARG   7          1HH2      ARG   7  -0.230  -0.760  -6.455
   40   2HH2  ARG   7          2HH2      ARG   7  -0.307  -0.174  -8.089
   41   1HN   SEC   8          H         SEC   8   0.529  -1.180  -2.427
   42    HA   SEC   8           HA       SEC   8   0.043   1.657  -2.081
   43   1HB   SEC   8          1HB       SEC   8  -2.330   0.022  -2.242
   44   2HB   SEC   8          2HB       SEC   8  -1.175  -0.425  -3.494
   45    H    ALA   9           H        ALA   9   0.540  -0.804  -0.036
   46    HA   ALA   9           HA       ALA   9  -1.597  -0.557   1.806
   47   1HB   ALA   9          1HB       ALA   9   0.987  -1.904   1.730
   48   2HB   ALA   9          2HB       ALA   9  -0.536  -2.410   2.463
   49   3HB   ALA   9          3HB       ALA   9   0.547  -1.328   3.340
   50    H    TRP  10           H        TRP  10   1.082   1.411   1.040
   51    HA   TRP  10           HA       TRP  10   1.135   2.781   3.583
   52   1HB   TRP  10          2HB       TRP  10   3.035   3.798   2.862
   53   2HB   TRP  10          1HB       TRP  10   3.035   2.498   1.689
   54    HD1  TRP  10           HD       TRP  10   3.920   5.840   1.794
   55    HE1  TRP  10           1HE      TRP  10   3.624   7.112  -0.410
   56    HE3  TRP  10           3HE      TRP  10   0.692   2.649  -0.618
   57    HZ2  TRP  10           2HZ      TRP  10   2.242   6.832  -2.828
   58    HZ3  TRP  10           3HZ      TRP  10  -0.050   3.244  -2.878
   59    HH2  TRP  10           HH       TRP  10   0.704   5.294  -3.959
   60    H    ARG  11           H        ARG  11  -0.700   2.764   0.796
   61    HA   ARG  11           HA       ARG  11  -1.468   5.504   0.762
   62   1HB   ARG  11          2HB       ARG  11  -1.508   3.974  -1.239
   63   2HB   ARG  11          1HB       ARG  11  -2.907   3.188  -0.523
   64   1HG   ARG  11          2HG       ARG  11  -3.610   4.772  -2.195
   65   2HG   ARG  11          1HG       ARG  11  -4.120   5.323  -0.597
   66   1HD   ARG  11          2HD       ARG  11  -2.304   6.898  -0.505
   67   2HD   ARG  11          1HD       ARG  11  -1.627   6.268  -2.005
   68    HE   ARG  11           HE       ARG  11  -3.694   8.202  -1.739
   69   1HH1  ARG  11          1HH1      ARG  11  -2.584   5.580  -3.784
   70   2HH1  ARG  11          2HH1      ARG  11  -3.381   6.174  -5.202
   71   1HH2  ARG  11          1HH2      ARG  11  -4.750   8.993  -3.613
   72   2HH2  ARG  11          2HH2      ARG  11  -4.617   8.120  -5.104
   73   1HN   SEC  12          H         SEC  12  -2.784   2.471   1.935
   74    HA   SEC  12           HA       SEC  12  -5.145   3.743   3.043
   75   1HB   SEC  12          1HB       SEC  12  -5.464   1.572   2.043
   76   2HB   SEC  12          2HB       SEC  12  -5.692   1.404   3.785
  Start of MODEL    5
    1   1H    GLY   1           H        GLY   1  -9.020   3.522   0.868
    2   1HA   GLY   1          2HA       GLY   1 -10.089   1.620  -0.315
    3   2HA   GLY   1          1HA       GLY   1  -9.678   2.918  -1.427
    4   1HN   SEC   2          H         SEC   2  -6.846   2.480  -1.320
    5    HA   SEC   2           HA       SEC   2  -6.690   0.110  -3.029
    6   1HB   SEC   2          1HB       SEC   2  -4.546   2.211  -2.624
    7   2HB   SEC   2          2HB       SEC   2  -5.839   2.406  -3.808
    8   1HN   SEC   3          H         SEC   3  -7.060  -0.670  -0.624
    9    HA   SEC   3           HA       SEC   3  -4.557  -0.865   0.834
   10   1HB   SEC   3          1HB       SEC   3  -7.009  -2.211   1.770
   11   2HB   SEC   3          2HB       SEC   3  -7.069  -0.451   1.660
   12    H    SER   4           H        SER   4  -5.592  -2.494  -1.656
   13    HA   SER   4           HA       SER   4  -4.930  -5.150  -0.588
   14   1HB   SER   4          2HB       SER   4  -6.370  -4.492  -3.162
   15   2HB   SER   4          1HB       SER   4  -6.164  -6.091  -2.446
   16    HG   SER   4           HG       SER   4  -7.372  -5.307  -0.632
   17    H    ASP   5           H        ASP   5  -2.839  -3.276  -1.277
   18    HA   ASP   5           HA       ASP   5  -1.367  -4.989  -3.090
   19   1HB   ASP   5          2HB       ASP   5  -2.219  -3.570  -4.773
   20   2HB   ASP   5          1HB       ASP   5  -2.024  -2.132  -3.787
   21    HA   PRO   6           HA       PRO   6   1.859  -4.267  -0.171
   22   1HB   PRO   6          2HB       PRO   6   3.621  -4.338  -2.573
   23   2HB   PRO   6          1HB       PRO   6   3.748  -5.235  -1.056
   24   1HG   PRO   6          2HG       PRO   6   2.851  -6.432  -3.247
   25   2HG   PRO   6          1HG       PRO   6   2.112  -6.765  -1.670
   26   1HD   PRO   6          2HD       PRO   6   1.097  -5.097  -3.927
   27   2HD   PRO   6          1HD       PRO   6   0.202  -6.125  -2.790
   28    H    ARG   7           H        ARG   7   1.937  -2.335  -3.152
   29    HA   ARG   7           HA       ARG   7   3.430  -0.238  -1.731
   30   1HB   ARG   7          2HB       ARG   7   2.833  -0.695  -4.635
   31   2HB   ARG   7          1HB       ARG   7   3.399   0.850  -4.021
   32   1HG   ARG   7          2HG       ARG   7   5.494   0.118  -3.700
   33   2HG   ARG   7          1HG       ARG   7   4.970  -1.492  -3.205
   34   1HD   ARG   7          2HD       ARG   7   4.755  -0.590  -6.067
   35   2HD   ARG   7          1HD       ARG   7   6.257  -1.260  -5.431
   36    HE   ARG   7           HE       ARG   7   5.309  -3.345  -5.450
   37   1HH1  ARG   7          1HH1      ARG   7   2.799  -1.002  -6.110
   38   2HH1  ARG   7          2HH1      ARG   7   1.531  -2.184  -6.183
   39   1HH2  ARG   7          1HH2      ARG   7   3.626  -4.915  -5.646
   40   2HH2  ARG   7          2HH2      ARG   7   1.997  -4.382  -5.949
   41   1HN   SEC   8          H         SEC   8   0.700  -0.970  -1.347
   42    HA   SEC   8           HA       SEC   8  -0.513   1.658  -1.690
   43   1HB   SEC   8          1HB       SEC   8  -2.652  -0.053  -1.951
   44   2HB   SEC   8          2HB       SEC   8  -1.380  -0.873  -2.854
   45    H    ALA   9           H        ALA   9   0.165  -1.087   0.184
   46    HA   ALA   9           HA       ALA   9  -1.876  -0.935   2.121
   47   1HB   ALA   9          1HB       ALA   9  -0.751  -2.885   2.416
   48   2HB   ALA   9          2HB       ALA   9   0.164  -1.906   3.564
   49   3HB   ALA   9          3HB       ALA   9   0.799  -2.187   1.942
   50    H    TRP  10           H        TRP  10   1.163   0.686   1.636
   51    HA   TRP  10           HA       TRP  10   0.684   2.320   4.001
   52   1HB   TRP  10          2HB       TRP  10   2.983   3.332   3.268
   53   2HB   TRP  10          1HB       TRP  10   2.902   1.825   4.154
   54    HD1  TRP  10           HD       TRP  10   4.362  -0.010   3.265
   55    HE1  TRP  10           1HE      TRP  10   5.611  -0.502   1.079
   56    HE3  TRP  10           3HE      TRP  10   2.527   3.801   0.357
   57    HZ2  TRP  10           2HZ      TRP  10   5.824   0.575  -1.502
   58    HZ3  TRP  10           3HZ      TRP  10   3.329   4.000  -1.947
   59    HH2  TRP  10           HH       TRP  10   4.938   2.416  -2.863
   60    H    ARG  11           H        ARG  11  -1.061   2.498   1.931
   61    HA   ARG  11           HA       ARG  11  -0.709   5.285   1.116
   62   1HB   ARG  11          2HB       ARG  11  -0.171   3.744  -0.801
   63   2HB   ARG  11          1HB       ARG  11  -1.819   3.144  -0.711
   64   1HG   ARG  11          2HG       ARG  11  -2.631   5.442  -1.153
   65   2HG   ARG  11          1HG       ARG  11  -0.954   5.950  -1.368
   66   1HD   ARG  11          2HD       ARG  11  -2.471   3.926  -3.010
   67   2HD   ARG  11          1HD       ARG  11  -1.923   5.519  -3.528
   68    HE   ARG  11           HE       ARG  11  -0.403   3.107  -3.485
   69   1HH1  ARG  11          1HH1      ARG  11  -0.128   6.588  -3.165
   70   2HH1  ARG  11          2HH1      ARG  11   1.554   6.621  -3.573
   71   1HH2  ARG  11          1HH2      ARG  11   1.804   3.139  -4.005
   72   2HH2  ARG  11          2HH2      ARG  11   2.659   4.649  -4.060
   73   1HN   SEC  12          H         SEC  12  -2.716   2.538   1.874
   74    HA   SEC  12           HA       SEC  12  -5.207   4.004   1.804
   75   1HB   SEC  12          1HB       SEC  12  -5.250   1.672   1.137
   76   2HB   SEC  12          2HB       SEC  12  -6.136   1.823   2.657
  Start of MODEL    6
    1   1H    GLY   1           H        GLY   1  -8.920   3.605   0.903
    2   1HA   GLY   1          2HA       GLY   1 -10.096   1.724  -0.229
    3   2HA   GLY   1          1HA       GLY   1  -9.669   3.004  -1.355
    4   1HN   SEC   2          H         SEC   2  -6.858   2.468  -1.336
    5    HA   SEC   2           HA       SEC   2  -6.835   0.078  -3.020
    6   1HB   SEC   2          1HB       SEC   2  -4.619   2.126  -2.727
    7   2HB   SEC   2          2HB       SEC   2  -5.939   2.324  -3.881
    8   1HN   SEC   3          H         SEC   3  -7.141  -0.716  -0.640
    9    HA   SEC   3           HA       SEC   3  -4.607  -0.906   0.773
   10   1HB   SEC   3          1HB       SEC   3  -7.026  -2.270   1.752
   11   2HB   SEC   3          2HB       SEC   3  -7.104  -0.510   1.650
   12    H    SER   4           H        SER   4  -5.579  -2.518  -1.719
   13    HA   SER   4           HA       SER   4  -4.979  -5.193  -0.660
   14   1HB   SER   4          2HB       SER   4  -6.316  -4.500  -3.280
   15   2HB   SER   4          1HB       SER   4  -6.169  -6.103  -2.556
   16    HG   SER   4           HG       SER   4  -7.402  -5.234  -0.761
   17    H    ASP   5           H        ASP   5  -2.858  -3.293  -1.315
   18    HA   ASP   5           HA       ASP   5  -1.308  -5.032  -3.032
   19   1HB   ASP   5          2HB       ASP   5  -2.134  -3.661  -4.777
   20   2HB   ASP   5          1HB       ASP   5  -1.934  -2.196  -3.834
   21    HA   PRO   6           HA       PRO   6   1.819  -4.254  -0.061
   22   1HB   PRO   6          2HB       PRO   6   3.636  -4.182  -2.423
   23   2HB   PRO   6          1HB       PRO   6   3.783  -5.094  -0.916
   24   1HG   PRO   6          2HG       PRO   6   2.982  -6.303  -3.136
   25   2HG   PRO   6          1HG       PRO   6   2.227  -6.688  -1.577
   26   1HD   PRO   6          2HD       PRO   6   1.180  -5.051  -3.838
   27   2HD   PRO   6          1HD       PRO   6   0.311  -6.118  -2.718
   28    H    ARG   7           H        ARG   7   2.022  -2.190  -2.978
   29    HA   ARG   7           HA       ARG   7   3.492  -0.187  -1.413
   30   1HB   ARG   7          2HB       ARG   7   3.976   0.926  -3.353
   31   2HB   ARG   7          1HB       ARG   7   3.973  -0.747  -3.890
   32   1HG   ARG   7          2HG       ARG   7   1.391   0.002  -4.346
   33   2HG   ARG   7          1HG       ARG   7   2.260   1.508  -4.645
   34   1HD   ARG   7          2HD       ARG   7   2.372   0.580  -6.730
   35   2HD   ARG   7          1HD       ARG   7   3.841  -0.100  -6.028
   36    HE   ARG   7           HE       ARG   7   1.611  -1.790  -5.532
   37   1HH1  ARG   7          1HH1      ARG   7   3.831  -0.849  -8.084
   38   2HH1  ARG   7          2HH1      ARG   7   3.630  -2.320  -8.972
   39   1HH2  ARG   7          1HH2      ARG   7   1.325  -3.705  -6.684
   40   2HH2  ARG   7          2HH2      ARG   7   2.195  -3.961  -8.175
   41   1HN   SEC   8          H         SEC   8   0.454  -1.005  -2.031
   42    HA   SEC   8           HA       SEC   8  -0.677   1.665  -1.848
   43   1HB   SEC   8          1HB       SEC   8  -2.803  -0.018  -2.003
   44   2HB   SEC   8          2HB       SEC   8  -1.566  -0.951  -2.833
   45    H    ALA   9           H        ALA   9   0.040  -1.107  -0.005
   46    HA   ALA   9           HA       ALA   9  -1.884  -0.890   2.041
   47   1HB   ALA   9          1HB       ALA   9  -0.812  -2.892   2.236
   48   2HB   ALA   9          2HB       ALA   9   0.168  -1.963   3.371
   49   3HB   ALA   9          3HB       ALA   9   0.742  -2.230   1.725
   50    H    TRP  10           H        TRP  10   1.134   0.672   1.343
   51    HA   TRP  10           HA       TRP  10   0.915   2.215   3.797
   52   1HB   TRP  10          2HB       TRP  10   3.156   3.167   3.102
   53   2HB   TRP  10          1HB       TRP  10   3.108   1.492   3.593
   54    HD1  TRP  10           HD       TRP  10   4.320  -0.152   2.122
   55    HE1  TRP  10           1HE      TRP  10   5.457  -0.074  -0.177
   56    HE3  TRP  10           3HE      TRP  10   2.719   4.447   0.545
   57    HZ2  TRP  10           2HZ      TRP  10   5.669   1.692  -2.356
   58    HZ3  TRP  10           3HZ      TRP  10   3.449   5.260  -1.650
   59    HH2  TRP  10           HH       TRP  10   4.892   3.906  -3.076
   60    H    ARG  11           H        ARG  11  -0.943   2.423   1.680
   61    HA   ARG  11           HA       ARG  11  -0.681   5.288   1.123
   62   1HB   ARG  11          2HB       ARG  11  -0.346   3.636  -0.903
   63   2HB   ARG  11          1HB       ARG  11  -2.100   3.528  -0.841
   64   1HG   ARG  11          2HG       ARG  11  -1.670   5.200  -2.409
   65   2HG   ARG  11          1HG       ARG  11  -2.093   6.078  -0.938
   66   1HD   ARG  11          2HD       ARG  11   0.681   5.582  -2.024
   67   2HD   ARG  11          1HD       ARG  11  -0.175   7.121  -1.980
   68    HE   ARG  11           HE       ARG  11   1.298   5.895   0.147
   69   1HH1  ARG  11          1HH1      ARG  11  -1.324   8.108  -0.562
   70   2HH1  ARG  11          2HH1      ARG  11  -1.309   8.833   1.009
   71   1HH2  ARG  11          1HH2      ARG  11   1.316   6.829   2.217
   72   2HH2  ARG  11          2HH2      ARG  11   0.207   8.107   2.597
   73   1HN   SEC  12          H         SEC  12  -2.670   2.498   1.797
   74    HA   SEC  12           HA       SEC  12  -5.132   4.006   1.985
   75   1HB   SEC  12          1HB       SEC  12  -5.256   1.718   1.168
   76   2HB   SEC  12          2HB       SEC  12  -6.066   1.798   2.735
  Start of MODEL    7
    1   1H    GLY   1           H        GLY   1  -9.637   4.033  -1.244
    2   1HA   GLY   1          2HA       GLY   1  -9.193   1.860   0.602
    3   2HA   GLY   1          1HA       GLY   1 -10.394   1.918  -0.681
    4   1HN   SEC   2          H         SEC   2  -6.959   2.453  -1.107
    5    HA   SEC   2           HA       SEC   2  -6.853   0.145  -2.900
    6   1HB   SEC   2          1HB       SEC   2  -4.748   2.299  -2.538
    7   2HB   SEC   2          2HB       SEC   2  -6.074   2.444  -3.693
    8   1HN   SEC   3          H         SEC   3  -7.082  -0.747  -0.535
    9    HA   SEC   3           HA       SEC   3  -4.503  -0.921   0.798
   10   1HB   SEC   3          1HB       SEC   3  -6.873  -2.355   1.802
   11   2HB   SEC   3          2HB       SEC   3  -6.988  -0.595   1.749
   12    H    SER   4           H        SER   4  -5.564  -2.461  -1.715
   13    HA   SER   4           HA       SER   4  -5.012  -5.183  -0.790
   14   1HB   SER   4          2HB       SER   4  -6.171  -4.335  -3.443
   15   2HB   SER   4          1HB       SER   4  -6.158  -5.957  -2.751
   16    HG   SER   4           HG       SER   4  -7.658  -5.364  -1.287
   17    H    ASP   5           H        ASP   5  -2.812  -3.225  -1.392
   18    HA   ASP   5           HA       ASP   5  -1.235  -5.051  -2.995
   19   1HB   ASP   5          2HB       ASP   5  -2.144  -3.610  -4.754
   20   2HB   ASP   5          1HB       ASP   5  -1.613  -2.179  -3.893
   21    HA   PRO   6           HA       PRO   6   1.776  -4.040   0.070
   22   1HB   PRO   6          2HB       PRO   6   4.042  -4.130  -1.569
   23   2HB   PRO   6          1HB       PRO   6   3.333  -5.491  -0.697
   24   1HG   PRO   6          2HG       PRO   6   3.010  -4.690  -3.550
   25   2HG   PRO   6          1HG       PRO   6   3.096  -6.312  -2.839
   26   1HD   PRO   6          2HD       PRO   6   0.767  -5.276  -3.646
   27   2HD   PRO   6          1HD       PRO   6   0.867  -6.274  -2.179
   28    H    ARG   7           H        ARG   7   1.966  -2.353  -3.032
   29    HA   ARG   7           HA       ARG   7   3.432  -0.108  -1.871
   30   1HB   ARG   7          2HB       ARG   7   2.358  -0.662  -4.626
   31   2HB   ARG   7          1HB       ARG   7   3.161   0.832  -4.170
   32   1HG   ARG   7          2HG       ARG   7   5.198  -0.113  -4.089
   33   2HG   ARG   7          1HG       ARG   7   4.572  -1.676  -3.556
   34   1HD   ARG   7          2HD       ARG   7   4.529  -0.532  -6.345
   35   2HD   ARG   7          1HD       ARG   7   5.406  -1.956  -5.783
   36    HE   ARG   7           HE       ARG   7   2.617  -2.287  -5.338
   37   1HH1  ARG   7          1HH1      ARG   7   4.999  -2.281  -7.906
   38   2HH1  ARG   7          2HH1      ARG   7   4.071  -3.307  -8.946
   39   1HH2  ARG   7          1HH2      ARG   7   1.374  -3.638  -6.698
   40   2HH2  ARG   7          2HH2      ARG   7   2.006  -4.079  -8.259
   41   1HN   SEC   8          H         SEC   8   0.518  -1.025  -1.530
   42    HA   SEC   8           HA       SEC   8  -0.624   1.660  -1.651
   43   1HB   SEC   8          1HB       SEC   8  -2.784  -0.031  -1.903
   44   2HB   SEC   8          2HB       SEC   8  -1.546  -0.820  -2.873
   45    H    ALA   9           H        ALA   9   0.161  -1.078   0.134
   46    HA   ALA   9           HA       ALA   9  -1.815  -0.971   2.162
   47   1HB   ALA   9          1HB       ALA   9   0.239  -2.007   3.499
   48   2HB   ALA   9          2HB       ALA   9   0.864  -2.220   1.862
   49   3HB   ALA   9          3HB       ALA   9  -0.677  -2.946   2.321
   50    H    TRP  10           H        TRP  10   1.210   0.601   1.512
   51    HA   TRP  10           HA       TRP  10   0.876   2.255   3.887
   52   1HB   TRP  10          2HB       TRP  10   3.146   3.231   3.069
   53   2HB   TRP  10          1HB       TRP  10   3.090   1.716   3.939
   54    HD1  TRP  10           HD       TRP  10   4.472  -0.138   2.970
   55    HE1  TRP  10           1HE      TRP  10   5.672  -0.594   0.749
   56    HE3  TRP  10           3HE      TRP  10   2.650   3.778   0.197
   57    HZ2  TRP  10           2HZ      TRP  10   5.859   0.548  -1.809
   58    HZ3  TRP  10           3HZ      TRP  10   3.417   4.026  -2.115
   59    HH2  TRP  10           HH       TRP  10   4.982   2.438  -3.104
   60    H    ARG  11           H        ARG  11  -0.956   2.412   1.897
   61    HA   ARG  11           HA       ARG  11  -0.635   5.189   1.047
   62   1HB   ARG  11          2HB       ARG  11  -0.185   3.628  -0.885
   63   2HB   ARG  11          1HB       ARG  11  -1.842   3.060  -0.731
   64   1HG   ARG  11          2HG       ARG  11  -1.662   4.699  -2.501
   65   2HG   ARG  11          1HG       ARG  11  -2.656   5.325  -1.182
   66   1HD   ARG  11          2HD       ARG  11  -1.101   7.020  -2.023
   67   2HD   ARG  11          1HD       ARG  11  -0.764   6.605  -0.343
   68    HE   ARG  11           HE       ARG  11   0.818   5.010  -2.045
   69   1HH1  ARG  11          1HH1      ARG  11   0.529   8.301  -0.902
   70   2HH1  ARG  11          2HH1      ARG  11   2.210   8.662  -1.103
   71   1HH2  ARG  11          1HH2      ARG  11   3.044   5.474  -2.317
   72   2HH2  ARG  11          2HH2      ARG  11   3.648   7.045  -1.912
   73   1HN   SEC  12          H         SEC  12  -2.637   2.438   1.858
   74    HA   SEC  12           HA       SEC  12  -5.116   3.921   1.920
   75   1HB   SEC  12          1HB       SEC  12  -5.222   1.602   1.233
   76   2HB   SEC  12          2HB       SEC  12  -6.013   1.729   2.806
  Start of MODEL    8
    1   1H    GLY   1           H        GLY   1  -8.984   3.342   1.202
    2   1HA   GLY   1          2HA       GLY   1 -10.106   1.689  -0.122
    3   2HA   GLY   1          1HA       GLY   1  -9.713   2.998  -1.227
    4   1HN   SEC   2          H         SEC   2  -6.899   2.516  -1.258
    5    HA   SEC   2           HA       SEC   2  -6.848   0.157  -2.985
    6   1HB   SEC   2          1HB       SEC   2  -4.709   2.287  -2.681
    7   2HB   SEC   2          2HB       SEC   2  -6.016   2.395  -3.862
    8   1HN   SEC   3          H         SEC   3  -7.099  -0.700  -0.635
    9    HA   SEC   3           HA       SEC   3  -4.544  -0.874   0.744
   10   1HB   SEC   3          1HB       SEC   3  -6.941  -2.282   1.721
   11   2HB   SEC   3          2HB       SEC   3  -7.040  -0.523   1.653
   12    H    SER   4           H        SER   4  -5.553  -2.437  -1.771
   13    HA   SER   4           HA       SER   4  -5.023  -5.148  -0.795
   14   1HB   SER   4          2HB       SER   4  -6.172  -4.326  -3.462
   15   2HB   SER   4          1HB       SER   4  -6.135  -5.951  -2.775
   16    HG   SER   4           HG       SER   4  -7.556  -5.280  -1.180
   17    H    ASP   5           H        ASP   5  -2.803  -3.221  -1.389
   18    HA   ASP   5           HA       ASP   5  -1.232  -5.072  -2.973
   19   1HB   ASP   5          2HB       ASP   5  -2.070  -3.612  -4.750
   20   2HB   ASP   5          1HB       ASP   5  -1.537  -2.191  -3.870
   21    HA   PRO   6           HA       PRO   6   1.800  -4.073   0.087
   22   1HB   PRO   6          2HB       PRO   6   3.749  -4.226  -2.162
   23   2HB   PRO   6          1HB       PRO   6   3.772  -5.044  -0.595
   24   1HG   PRO   6          2HG       PRO   6   3.100  -6.370  -2.797
   25   2HG   PRO   6          1HG       PRO   6   2.247  -6.660  -1.268
   26   1HD   PRO   6          2HD       PRO   6   1.364  -5.126  -3.672
   27   2HD   PRO   6          1HD       PRO   6   0.415  -6.145  -2.570
   28    H    ARG   7           H        ARG   7   1.947  -2.372  -3.015
   29    HA   ARG   7           HA       ARG   7   3.412  -0.129  -1.836
   30   1HB   ARG   7          2HB       ARG   7   2.418  -0.690  -4.618
   31   2HB   ARG   7          1HB       ARG   7   3.188   0.814  -4.138
   32   1HG   ARG   7          2HG       ARG   7   5.232  -0.088  -4.068
   33   2HG   ARG   7          1HG       ARG   7   4.643  -1.636  -3.455
   34   1HD   ARG   7          2HD       ARG   7   4.572  -0.638  -6.300
   35   2HD   ARG   7          1HD       ARG   7   5.480  -2.011  -5.667
   36    HE   ARG   7           HE       ARG   7   2.680  -2.343  -5.220
   37   1HH1  ARG   7          1HH1      ARG   7   5.112  -2.524  -7.735
   38   2HH1  ARG   7          2HH1      ARG   7   4.235  -3.677  -8.679
   39   1HH2  ARG   7          1HH2      ARG   7   1.515  -3.873  -6.443
   40   2HH2  ARG   7          2HH2      ARG   7   2.183  -4.444  -7.946
   41   1HN   SEC   8          H         SEC   8   0.541  -1.021  -1.459
   42    HA   SEC   8           HA       SEC   8  -0.627   1.646  -1.674
   43   1HB   SEC   8          1HB       SEC   8  -2.779  -0.039  -1.916
   44   2HB   SEC   8          2HB       SEC   8  -1.534  -0.876  -2.832
   45    H    ALA   9           H        ALA   9   0.109  -1.094   0.157
   46    HA   ALA   9           HA       ALA   9  -1.884  -0.944   2.156
   47   1HB   ALA   9          1HB       ALA   9   0.124  -1.984   3.542
   48   2HB   ALA   9          2HB       ALA   9   0.800  -2.199   1.928
   49   3HB   ALA   9          3HB       ALA   9  -0.755  -2.924   2.336
   50    H    TRP  10           H        TRP  10   1.169   0.619   1.566
   51    HA   TRP  10           HA       TRP  10   0.785   2.262   3.942
   52   1HB   TRP  10          2HB       TRP  10   3.068   3.250   3.142
   53   2HB   TRP  10          1HB       TRP  10   2.997   1.748   4.034
   54    HD1  TRP  10           HD       TRP  10   4.395  -0.120   3.115
   55    HE1  TRP  10           1HE      TRP  10   5.620  -0.613   0.916
   56    HE3  TRP  10           3HE      TRP  10   2.605   3.746   0.251
   57    HZ2  TRP  10           2HZ      TRP  10   5.834   0.481  -1.659
   58    HZ3  TRP  10           3HZ      TRP  10   3.397   3.953  -2.055
   59    HH2  TRP  10           HH       TRP  10   4.972   2.349  -2.998
   60    H    ARG  11           H        ARG  11  -0.963   2.393   1.788
   61    HA   ARG  11           HA       ARG  11  -0.638   5.203   1.044
   62   1HB   ARG  11          2HB       ARG  11  -0.083   3.853  -0.934
   63   2HB   ARG  11          1HB       ARG  11  -1.623   3.016  -0.803
   64   1HG   ARG  11          2HG       ARG  11  -1.692   4.711  -2.539
   65   2HG   ARG  11          1HG       ARG  11  -2.805   5.108  -1.227
   66   1HD   ARG  11          2HD       ARG  11  -1.053   6.611  -0.287
   67   2HD   ARG  11          1HD       ARG  11  -0.076   6.295  -1.720
   68    HE   ARG  11           HE       ARG  11  -1.358   7.783  -2.865
   69   1HH1  ARG  11          1HH1      ARG  11  -3.140   6.809   0.002
   70   2HH1  ARG  11          2HH1      ARG  11  -4.447   7.911  -0.290
   71   1HH2  ARG  11          1HH2      ARG  11  -3.090   9.232  -3.245
   72   2HH2  ARG  11          2HH2      ARG  11  -4.421   9.286  -2.137
   73   1HN   SEC  12          H         SEC  12  -2.670   2.466   1.799
   74    HA   SEC  12           HA       SEC  12  -5.152   3.941   1.701
   75   1HB   SEC  12          1HB       SEC  12  -5.229   1.604   1.087
   76   2HB   SEC  12          2HB       SEC  12  -6.082   1.774   2.624
  Start of MODEL    9
    1   1H    GLY   1           H        GLY   1  -8.614   3.539   1.455
    2   1HA   GLY   1          2HA       GLY   1  -9.850   1.482   0.552
    3   2HA   GLY   1          1HA       GLY   1  -9.691   2.829  -0.568
    4   1HN   SEC   2          H         SEC   2  -6.869   2.519  -0.956
    5    HA   SEC   2           HA       SEC   2  -6.905   0.207  -2.760
    6   1HB   SEC   2          1HB       SEC   2  -4.962   2.539  -2.614
    7   2HB   SEC   2          2HB       SEC   2  -6.319   2.428  -3.733
    8   1HN   SEC   3          H         SEC   3  -6.807  -0.595  -0.284
    9    HA   SEC   3           HA       SEC   3  -4.050  -0.707   0.623
   10   1HB   SEC   3          1HB       SEC   3  -6.191  -2.137   2.062
   11   2HB   SEC   3          2HB       SEC   3  -6.367  -0.384   1.944
   12    H    SER   4           H        SER   4  -5.635  -2.387  -1.556
   13    HA   SER   4           HA       SER   4  -4.923  -5.073  -0.710
   14   1HB   SER   4          2HB       SER   4  -6.190  -4.217  -3.313
   15   2HB   SER   4          1HB       SER   4  -6.190  -5.830  -2.599
   16    HG   SER   4           HG       SER   4  -7.922  -5.260  -1.575
   17    H    ASP   5           H        ASP   5  -2.720  -3.213  -1.327
   18    HA   ASP   5           HA       ASP   5  -1.263  -4.966  -3.114
   19   1HB   ASP   5          2HB       ASP   5  -2.037  -3.490  -4.805
   20   2HB   ASP   5          1HB       ASP   5  -1.787  -2.074  -3.796
   21    HA   PRO   6           HA       PRO   6   1.910  -4.292  -0.118
   22   1HB   PRO   6          2HB       PRO   6   3.734  -4.322  -2.476
   23   2HB   PRO   6          1HB       PRO   6   3.830  -5.235  -0.965
   24   1HG   PRO   6          2HG       PRO   6   2.995  -6.413  -3.194
   25   2HG   PRO   6          1HG       PRO   6   2.226  -6.774  -1.637
   26   1HD   PRO   6          2HD       PRO   6   1.238  -5.096  -3.897
   27   2HD   PRO   6          1HD       PRO   6   0.331  -6.135  -2.778
   28    H    ARG   7           H        ARG   7   1.937  -2.260  -3.033
   29    HA   ARG   7           HA       ARG   7   3.390  -0.191  -1.505
   30   1HB   ARG   7          2HB       ARG   7   2.927  -0.467  -4.465
   31   2HB   ARG   7          1HB       ARG   7   3.710   0.896  -3.681
   32   1HG   ARG   7          2HG       ARG   7   5.578  -0.313  -3.124
   33   2HG   ARG   7          1HG       ARG   7   4.733  -1.859  -3.228
   34   1HD   ARG   7          2HD       ARG   7   5.880  -0.170  -5.408
   35   2HD   ARG   7          1HD       ARG   7   5.996  -1.911  -5.163
   36    HE   ARG   7           HE       ARG   7   4.123  -0.586  -6.775
   37   1HH1  ARG   7          1HH1      ARG   7   4.238  -3.259  -4.500
   38   2HH1  ARG   7          2HH1      ARG   7   2.777  -3.981  -5.097
   39   1HH2  ARG   7          1HH2      ARG   7   2.219  -1.587  -7.565
   40   2HH2  ARG   7          2HH2      ARG   7   1.629  -3.030  -6.800
   41   1HN   SEC   8          H         SEC   8   0.609  -0.926  -1.384
   42    HA   SEC   8           HA       SEC   8  -0.512   1.731  -1.767
   43   1HB   SEC   8          1HB       SEC   8  -2.523  -0.274  -2.294
   44   2HB   SEC   8          2HB       SEC   8  -1.150  -0.481  -3.384
   45    H    ALA   9           H        ALA   9  -0.162  -1.181  -0.013
   46    HA   ALA   9           HA       ALA   9  -2.323  -1.020   1.771
   47   1HB   ALA   9          1HB       ALA   9  -1.398  -2.927   2.467
   48   2HB   ALA   9          2HB       ALA   9  -0.053  -2.015   3.153
   49   3HB   ALA   9          3HB       ALA   9   0.033  -2.595   1.490
   50    H    TRP  10           H        TRP  10   0.938   0.303   1.846
   51    HA   TRP  10           HA       TRP  10   0.220   1.889   4.173
   52   1HB   TRP  10          2HB       TRP  10   2.659   2.744   3.860
   53   2HB   TRP  10          1HB       TRP  10   2.352   1.177   4.575
   54    HD1  TRP  10           HD       TRP  10   3.933  -0.589   3.796
   55    HE1  TRP  10           1HE      TRP  10   5.398  -1.023   1.736
   56    HE3  TRP  10           3HE      TRP  10   2.478   3.366   0.856
   57    HZ2  TRP  10           2HZ      TRP  10   5.900   0.141  -0.766
   58    HZ3  TRP  10           3HZ      TRP  10   3.522   3.630  -1.341
   59    HH2  TRP  10           HH       TRP  10   5.193   2.046  -2.143
   60    H    ARG  11           H        ARG  11  -1.141   2.319   1.776
   61    HA   ARG  11           HA       ARG  11  -0.631   5.157   1.457
   62   1HB   ARG  11          2HB       ARG  11   0.599   3.754  -0.351
   63   2HB   ARG  11          1HB       ARG  11  -1.005   3.499  -1.022
   64   1HG   ARG  11          2HG       ARG  11  -1.277   5.963  -1.160
   65   2HG   ARG  11          1HG       ARG  11   0.398   6.133  -0.630
   66   1HD   ARG  11          2HD       ARG  11   0.395   6.288  -3.002
   67   2HD   ARG  11          1HD       ARG  11   1.060   4.710  -2.587
   68    HE   ARG  11           HE       ARG  11  -0.675   3.738  -3.695
   69   1HH1  ARG  11          1HH1      ARG  11  -1.573   7.042  -2.950
   70   2HH1  ARG  11          2HH1      ARG  11  -3.082   6.963  -3.794
   71   1HH2  ARG  11          1HH2      ARG  11  -2.668   3.625  -4.812
   72   2HH2  ARG  11          2HH2      ARG  11  -3.703   5.015  -4.863
   73   1HN   SEC  12          H         SEC  12  -2.698   2.818   2.206
   74    HA   SEC  12           HA       SEC  12  -5.004   3.654   0.681
   75   1HB   SEC  12          1HB       SEC  12  -4.652   1.261   1.237
   76   2HB   SEC  12          2HB       SEC  12  -6.182   1.874   1.863
  Start of MODEL   10
    1   1H    GLY   1           H        GLY   1 -10.499   0.871   0.124
    2   1HA   GLY   1          2HA       GLY   1  -9.921   2.857  -1.333
    3   2HA   GLY   1          1HA       GLY   1  -8.597   3.102  -0.203
    4   1HN   SEC   2          H         SEC   2  -6.792   2.619  -1.280
    5    HA   SEC   2           HA       SEC   2  -6.728   0.257  -3.004
    6   1HB   SEC   2          1HB       SEC   2  -4.542   2.330  -2.648
    7   2HB   SEC   2          2HB       SEC   2  -5.841   2.516  -3.827
    8   1HN   SEC   3          H         SEC   3  -7.051  -0.576  -0.640
    9    HA   SEC   3           HA       SEC   3  -4.523  -0.784   0.783
   10   1HB   SEC   3          1HB       SEC   3  -6.963  -2.128   1.746
   11   2HB   SEC   3          2HB       SEC   3  -7.023  -0.368   1.652
   12    H    SER   4           H        SER   4  -5.570  -2.365  -1.719
   13    HA   SER   4           HA       SER   4  -5.044  -5.063  -0.703
   14   1HB   SER   4          2HB       SER   4  -6.257  -4.289  -3.356
   15   2HB   SER   4          1HB       SER   4  -6.217  -5.898  -2.631
   16    HG   SER   4           HG       SER   4  -7.571  -5.148  -0.992
   17    H    ASP   5           H        ASP   5  -2.825  -3.190  -1.340
   18    HA   ASP   5           HA       ASP   5  -1.313  -5.044  -2.977
   19   1HB   ASP   5          2HB       ASP   5  -2.161  -3.571  -4.726
   20   2HB   ASP   5          1HB       ASP   5  -1.622  -2.155  -3.841
   21    HA   PRO   6           HA       PRO   6   1.788  -4.114   0.032
   22   1HB   PRO   6          2HB       PRO   6   4.020  -4.291  -1.633
   23   2HB   PRO   6          1HB       PRO   6   3.266  -5.631  -0.767
   24   1HG   PRO   6          2HG       PRO   6   2.935  -4.780  -3.607
   25   2HG   PRO   6          1HG       PRO   6   2.989  -6.416  -2.922
   26   1HD   PRO   6          2HD       PRO   6   0.675  -5.311  -3.671
   27   2HD   PRO   6          1HD       PRO   6   0.775  -6.326  -2.215
   28    H    ARG   7           H        ARG   7   1.872  -2.406  -3.060
   29    HA   ARG   7           HA       ARG   7   3.417  -0.201  -1.890
   30   1HB   ARG   7          2HB       ARG   7   2.440  -0.741  -4.683
   31   2HB   ARG   7          1HB       ARG   7   3.257   0.732  -4.187
   32   1HG   ARG   7          2HG       ARG   7   5.266  -0.238  -4.122
   33   2HG   ARG   7          1HG       ARG   7   4.626  -1.756  -3.487
   34   1HD   ARG   7          2HD       ARG   7   4.598  -0.799  -6.346
   35   2HD   ARG   7          1HD       ARG   7   5.451  -2.196  -5.690
   36    HE   ARG   7           HE       ARG   7   2.642  -2.419  -5.248
   37   1HH1  ARG   7          1HH1      ARG   7   5.067  -2.713  -7.759
   38   2HH1  ARG   7          2HH1      ARG   7   4.149  -3.843  -8.692
   39   1HH2  ARG   7          1HH2      ARG   7   1.423  -3.919  -6.456
   40   2HH2  ARG   7          2HH2      ARG   7   2.070  -4.529  -7.953
   41   1HN   SEC   8          H         SEC   8   0.634  -0.995  -1.365
   42    HA   SEC   8           HA       SEC   8  -0.548   1.651  -1.642
   43   1HB   SEC   8          1HB       SEC   8  -2.724   0.026  -1.901
   44   2HB   SEC   8          2HB       SEC   8  -1.495  -0.878  -2.775
   45    H    ALA   9           H        ALA   9   0.156  -1.098   0.204
   46    HA   ALA   9           HA       ALA   9  -1.853  -0.914   2.185
   47   1HB   ALA   9          1HB       ALA   9   0.149  -1.962   3.591
   48   2HB   ALA   9          2HB       ALA   9   0.805  -2.216   1.973
   49   3HB   ALA   9          3HB       ALA   9  -0.760  -2.903   2.406
   50    H    TRP  10           H        TRP  10   1.240   0.590   1.641
   51    HA   TRP  10           HA       TRP  10   0.837   2.284   3.981
   52   1HB   TRP  10          2HB       TRP  10   3.166   3.200   3.208
   53   2HB   TRP  10          1HB       TRP  10   3.041   1.723   4.137
   54    HD1  TRP  10           HD       TRP  10   4.459  -0.164   3.306
   55    HE1  TRP  10           1HE      TRP  10   5.682  -0.764   1.131
   56    HE3  TRP  10           3HE      TRP  10   2.687   3.577   0.264
   57    HZ2  TRP  10           2HZ      TRP  10   5.900   0.210  -1.491
   58    HZ3  TRP  10           3HZ      TRP  10   3.479   3.671  -2.049
   59    HH2  TRP  10           HH       TRP  10   5.047   2.017  -2.915
   60    H    ARG  11           H        ARG  11  -0.910   2.469   1.921
   61    HA   ARG  11           HA       ARG  11  -0.484   5.220   1.035
   62   1HB   ARG  11          2HB       ARG  11   0.090   3.661  -0.828
   63   2HB   ARG  11          1HB       ARG  11  -1.542   3.017  -0.748
   64   1HG   ARG  11          2HG       ARG  11  -2.429   5.226  -1.339
   65   2HG   ARG  11          1HG       ARG  11  -0.777   5.841  -1.458
   66   1HD   ARG  11          2HD       ARG  11  -0.301   4.174  -3.198
   67   2HD   ARG  11          1HD       ARG  11  -1.967   3.608  -3.098
   68    HE   ARG  11           HE       ARG  11  -1.918   6.380  -3.627
   69   1HH1  ARG  11          1HH1      ARG  11  -1.327   3.283  -5.138
   70   2HH1  ARG  11          2HH1      ARG  11  -1.639   3.854  -6.744
   71   1HH2  ARG  11          1HH2      ARG  11  -2.339   7.153  -5.752
   72   2HH2  ARG  11          2HH2      ARG  11  -2.218   6.064  -7.094
   73   1HN   SEC  12          H         SEC  12  -2.574   2.538   1.833
   74    HA   SEC  12           HA       SEC  12  -5.030   4.051   1.659
   75   1HB   SEC  12          1HB       SEC  12  -5.140   1.709   1.071
   76   2HB   SEC  12          2HB       SEC  12  -6.017   1.916   2.588
  Start of MODEL   11
    1   1H    GLY   1           H        GLY   1 -10.501   0.866   0.101
    2   1HA   GLY   1          2HA       GLY   1  -9.910   2.847  -1.354
    3   2HA   GLY   1          1HA       GLY   1  -8.591   3.092  -0.217
    4   1HN   SEC   2          H         SEC   2  -6.782   2.609  -1.289
    5    HA   SEC   2           HA       SEC   2  -6.712   0.246  -3.012
    6   1HB   SEC   2          1HB       SEC   2  -4.526   2.316  -2.646
    7   2HB   SEC   2          2HB       SEC   2  -5.824   2.510  -3.825
    8   1HN   SEC   3          H         SEC   3  -7.047  -0.571  -0.634
    9    HA   SEC   3           HA       SEC   3  -4.523  -0.787   0.792
   10   1HB   SEC   3          1HB       SEC   3  -6.973  -2.116   1.755
   11   2HB   SEC   3          2HB       SEC   3  -7.022  -0.354   1.654
   12    H    SER   4           H        SER   4  -5.575  -2.381  -1.703
   13    HA   SER   4           HA       SER   4  -5.037  -5.071  -0.665
   14   1HB   SER   4          2HB       SER   4  -6.295  -4.323  -3.306
   15   2HB   SER   4          1HB       SER   4  -6.231  -5.927  -2.575
   16    HG   SER   4           HG       SER   4  -7.542  -5.146  -0.891
   17    H    ASP   5           H        ASP   5  -2.844  -3.193  -1.341
   18    HA   ASP   5           HA       ASP   5  -1.338  -5.043  -2.981
   19   1HB   ASP   5          2HB       ASP   5  -2.239  -3.616  -4.734
   20   2HB   ASP   5          1HB       ASP   5  -1.730  -2.172  -3.879
   21    HA   PRO   6           HA       PRO   6   1.779  -4.125   0.007
   22   1HB   PRO   6          2HB       PRO   6   3.665  -4.330  -2.289
   23   2HB   PRO   6          1HB       PRO   6   3.702  -5.151  -0.725
   24   1HG   PRO   6          2HG       PRO   6   2.931  -6.452  -2.908
   25   2HG   PRO   6          1HG       PRO   6   2.106  -6.714  -1.360
   26   1HD   PRO   6          2HD       PRO   6   1.221  -5.145  -3.743
   27   2HD   PRO   6          1HD       PRO   6   0.264  -6.137  -2.625
   28    H    ARG   7           H        ARG   7   1.890  -2.383  -3.071
   29    HA   ARG   7           HA       ARG   7   3.438  -0.197  -1.861
   30   1HB   ARG   7          2HB       ARG   7   2.500  -0.685  -4.683
   31   2HB   ARG   7          1HB       ARG   7   3.271   0.796  -4.152
   32   1HG   ARG   7          2HG       ARG   7   4.967  -0.466  -5.153
   33   2HG   ARG   7          1HG       ARG   7   5.209  -0.639  -3.410
   34   1HD   ARG   7          2HD       ARG   7   5.379  -2.765  -4.822
   35   2HD   ARG   7          1HD       ARG   7   4.345  -2.827  -3.396
   36    HE   ARG   7           HE       ARG   7   2.486  -3.040  -4.753
   37   1HH1  ARG   7          1HH1      ARG   7   5.283  -2.315  -6.744
   38   2HH1  ARG   7          2HH1      ARG   7   4.443  -2.584  -8.232
   39   1HH2  ARG   7          1HH2      ARG   7   1.375  -3.394  -6.680
   40   2HH2  ARG   7          2HH2      ARG   7   2.207  -3.201  -8.199
   41   1HN   SEC   8          H         SEC   8   0.646  -0.994  -1.379
   42    HA   SEC   8           HA       SEC   8  -0.536   1.652  -1.650
   43   1HB   SEC   8          1HB       SEC   8  -2.703   0.011  -1.918
   44   2HB   SEC   8          2HB       SEC   8  -1.464  -0.879  -2.795
   45    H    ALA   9           H        ALA   9   0.167  -1.096   0.200
   46    HA   ALA   9           HA       ALA   9  -1.852  -0.918   2.171
   47   1HB   ALA   9          1HB       ALA   9   0.810  -2.215   1.969
   48   2HB   ALA   9          2HB       ALA   9  -0.757  -2.905   2.395
   49   3HB   ALA   9          3HB       ALA   9   0.146  -1.965   3.584
   50    H    TRP  10           H        TRP  10   1.241   0.594   1.644
   51    HA   TRP  10           HA       TRP  10   0.827   2.277   3.989
   52   1HB   TRP  10          2HB       TRP  10   3.157   3.199   3.228
   53   2HB   TRP  10          1HB       TRP  10   3.029   1.718   4.150
   54    HD1  TRP  10           HD       TRP  10   4.430  -0.181   3.306
   55    HE1  TRP  10           1HE      TRP  10   5.662  -0.766   1.134
   56    HE3  TRP  10           3HE      TRP  10   2.714   3.613   0.301
   57    HZ2  TRP  10           2HZ      TRP  10   5.908   0.238  -1.475
   58    HZ3  TRP  10           3HZ      TRP  10   3.522   3.728  -2.007
   59    HH2  TRP  10           HH       TRP  10   5.080   2.070  -2.882
   60    H    ARG  11           H        ARG  11  -0.907   2.462   1.909
   61    HA   ARG  11           HA       ARG  11  -0.481   5.220   1.041
   62   1HB   ARG  11          2HB       ARG  11   0.089   3.679  -0.831
   63   2HB   ARG  11          1HB       ARG  11  -1.537   3.022  -0.748
   64   1HG   ARG  11          2HG       ARG  11  -2.440   5.234  -1.319
   65   2HG   ARG  11          1HG       ARG  11  -0.790   5.853  -1.452
   66   1HD   ARG  11          2HD       ARG  11  -0.328   4.198  -3.206
   67   2HD   ARG  11          1HD       ARG  11  -1.988   3.620  -3.087
   68    HE   ARG  11           HE       ARG  11  -1.963   6.396  -3.603
   69   1HH1  ARG  11          1HH1      ARG  11  -1.385   3.308  -5.137
   70   2HH1  ARG  11          2HH1      ARG  11  -1.727   3.884  -6.735
   71   1HH2  ARG  11          1HH2      ARG  11  -2.423   7.175  -5.718
   72   2HH2  ARG  11          2HH2      ARG  11  -2.320   6.092  -7.067
   73   1HN   SEC  12          H         SEC  12  -2.573   2.542   1.836
   74    HA   SEC  12           HA       SEC  12  -5.027   4.060   1.666
   75   1HB   SEC  12          1HB       SEC  12  -5.139   1.717   1.075
   76   2HB   SEC  12          2HB       SEC  12  -6.017   1.925   2.593
  Start of MODEL   12
    1   1H    GLY   1           H        GLY   1  -9.019   3.007   1.414
    2   1HA   GLY   1          2HA       GLY   1 -10.054   1.310   0.036
    3   2HA   GLY   1          1HA       GLY   1  -9.805   2.726  -0.976
    4   1HN   SEC   2          H         SEC   2  -6.944   2.446  -1.080
    5    HA   SEC   2           HA       SEC   2  -6.790   0.300  -3.065
    6   1HB   SEC   2          1HB       SEC   2  -4.781   2.499  -2.496
    7   2HB   SEC   2          2HB       SEC   2  -6.098   2.658  -3.658
    8   1HN   SEC   3          H         SEC   3  -6.967  -0.666  -0.616
    9    HA   SEC   3           HA       SEC   3  -4.312  -1.067   0.502
   10   1HB   SEC   3          1HB       SEC   3  -6.699  -2.441   1.574
   11   2HB   SEC   3          2HB       SEC   3  -6.680  -0.680   1.682
   12    H    SER   4           H        SER   4  -5.703  -2.346  -1.996
   13    HA   SER   4           HA       SER   4  -5.446  -5.167  -1.401
   14   1HB   SER   4          2HB       SER   4  -6.053  -3.875  -4.062
   15   2HB   SER   4          1HB       SER   4  -6.381  -5.539  -3.578
   16    HG   SER   4           HG       SER   4  -8.198  -4.863  -2.797
   17    H    ASP   5           H        ASP   5  -3.061  -3.212  -1.626
   18    HA   ASP   5           HA       ASP   5  -1.350  -5.093  -3.016
   19   1HB   ASP   5          2HB       ASP   5  -2.041  -3.500  -4.807
   20   2HB   ASP   5          1HB       ASP   5  -1.393  -2.178  -3.848
   21    HA   PRO   6           HA       PRO   6   1.091  -4.110   0.531
   22   1HB   PRO   6          2HB       PRO   6   3.403  -4.852  -1.173
   23   2HB   PRO   6          1HB       PRO   6   2.909  -5.500   0.394
   24   1HG   PRO   6          2HG       PRO   6   2.540  -6.902  -1.845
   25   2HG   PRO   6          1HG       PRO   6   1.338  -6.924  -0.541
   26   1HD   PRO   6          2HD       PRO   6   1.283  -5.458  -3.147
   27   2HD   PRO   6          1HD       PRO   6  -0.039  -6.264  -2.277
   28    H    ARG   7           H        ARG   7   2.000  -2.876  -2.621
   29    HA   ARG   7           HA       ARG   7   3.775  -0.866  -1.567
   30   1HB   ARG   7          2HB       ARG   7   2.533  -1.348  -4.263
   31   2HB   ARG   7          1HB       ARG   7   3.497   0.087  -3.923
   32   1HG   ARG   7          2HG       ARG   7   5.418  -1.094  -3.665
   33   2HG   ARG   7          1HG       ARG   7   4.577  -2.602  -3.306
   34   1HD   ARG   7          2HD       ARG   7   4.812  -1.230  -5.981
   35   2HD   ARG   7          1HD       ARG   7   5.523  -2.774  -5.513
   36    HE   ARG   7           HE       ARG   7   2.711  -2.894  -5.200
   37   1HH1  ARG   7          1HH1      ARG   7   5.162  -2.801  -7.702
   38   2HH1  ARG   7          2HH1      ARG   7   4.189  -3.629  -8.868
   39   1HH2  ARG   7          1HH2      ARG   7   1.411  -3.981  -6.726
   40   2HH2  ARG   7          2HH2      ARG   7   2.052  -4.304  -8.314
   41   1HN   SEC   8          H         SEC   8   0.453  -1.181  -2.377
   42    HA   SEC   8           HA       SEC   8  -0.065   1.668  -2.133
   43   1HB   SEC   8          1HB       SEC   8  -2.410  -0.034  -2.282
   44   2HB   SEC   8          2HB       SEC   8  -1.240  -0.427  -3.540
   45    H    ALA   9           H        ALA   9   0.444  -0.789  -0.093
   46    HA   ALA   9           HA       ALA   9  -1.645  -0.533   1.793
   47   1HB   ALA   9          1HB       ALA   9   0.462  -1.384   3.290
   48   2HB   ALA   9          2HB       ALA   9   0.953  -1.879   1.670
   49   3HB   ALA   9          3HB       ALA   9  -0.584  -2.433   2.334
   50    H    TRP  10           H        TRP  10   1.138   1.376   1.079
   51    HA   TRP  10           HA       TRP  10   1.173   2.674   3.658
   52   1HB   TRP  10          2HB       TRP  10   3.113   3.653   2.998
   53   2HB   TRP  10          1HB       TRP  10   3.078   2.454   1.721
   54    HD1  TRP  10           HD       TRP  10   3.856   5.860   2.170
   55    HE1  TRP  10           1HE      TRP  10   3.594   7.284   0.055
   56    HE3  TRP  10           3HE      TRP  10   0.961   2.693  -0.629
   57    HZ2  TRP  10           2HZ      TRP  10   2.343   7.113  -2.451
   58    HZ3  TRP  10           3HZ      TRP  10   0.280   3.411  -2.876
   59    HH2  TRP  10           HH       TRP  10   0.957   5.577  -3.769
   60    H    ARG  11           H        ARG  11  -0.548   2.811   0.771
   61    HA   ARG  11           HA       ARG  11  -1.287   5.543   0.860
   62   1HB   ARG  11          2HB       ARG  11  -1.265   4.152  -1.226
   63   2HB   ARG  11          1HB       ARG  11  -2.703   3.339  -0.624
   64   1HG   ARG  11          2HG       ARG  11  -3.949   5.398  -0.678
   65   2HG   ARG  11          1HG       ARG  11  -2.502   6.298  -1.138
   66   1HD   ARG  11          2HD       ARG  11  -2.379   4.922  -3.205
   67   2HD   ARG  11          1HD       ARG  11  -3.911   4.177  -2.755
   68    HE   ARG  11           HE       ARG  11  -4.973   6.015  -3.570
   69   1HH1  ARG  11          1HH1      ARG  11  -1.659   6.906  -2.885
   70   2HH1  ARG  11          2HH1      ARG  11  -1.830   8.523  -3.483
   71   1HH2  ARG  11          1HH2      ARG  11  -5.207   8.151  -4.369
   72   2HH2  ARG  11          2HH2      ARG  11  -3.855   9.232  -4.332
   73   1HN   SEC  12          H         SEC  12  -2.715   2.489   1.848
   74    HA   SEC  12           HA       SEC  12  -5.109   3.759   2.885
   75   1HB   SEC  12          1HB       SEC  12  -5.389   1.603   1.823
   76   2HB   SEC  12          2HB       SEC  12  -5.720   1.417   3.546
  Start of MODEL   13
    1   1H    GLY   1           H        GLY   1  -9.741   4.019  -1.262
    2   1HA   GLY   1          2HA       GLY   1  -9.177   1.878   0.530
    3   2HA   GLY   1          1HA       GLY   1 -10.386   1.875  -0.747
    4   1HN   SEC   2          H         SEC   2  -6.940   2.421  -1.157
    5    HA   SEC   2           HA       SEC   2  -6.823   0.086  -2.919
    6   1HB   SEC   2          1HB       SEC   2  -4.695   2.215  -2.559
    7   2HB   SEC   2          2HB       SEC   2  -6.026   2.396  -3.702
    8   1HN   SEC   3          H         SEC   3  -7.098  -0.745  -0.524
    9    HA   SEC   3           HA       SEC   3  -4.537  -0.927   0.839
   10   1HB   SEC   3          1HB       SEC   3  -6.929  -2.325   1.847
   11   2HB   SEC   3          2HB       SEC   3  -7.022  -0.564   1.768
   12    H    SER   4           H        SER   4  -5.627  -2.518  -1.644
   13    HA   SER   4           HA       SER   4  -4.981  -5.206  -0.655
   14   1HB   SER   4          2HB       SER   4  -6.320  -4.472  -3.261
   15   2HB   SER   4          1HB       SER   4  -6.206  -6.075  -2.533
   16    HG   SER   4           HG       SER   4  -7.519  -5.354  -0.845
   17    H    ASP   5           H        ASP   5  -2.862  -3.290  -1.298
   18    HA   ASP   5           HA       ASP   5  -1.339  -5.003  -3.066
   19   1HB   ASP   5          2HB       ASP   5  -2.217  -3.587  -4.761
   20   2HB   ASP   5          1HB       ASP   5  -1.949  -2.144  -3.801
   21    HA   PRO   6           HA       PRO   6   1.833  -4.246  -0.133
   22   1HB   PRO   6          2HB       PRO   6   3.988  -4.190  -1.919
   23   2HB   PRO   6          1HB       PRO   6   3.333  -5.612  -1.104
   24   1HG   PRO   6          2HG       PRO   6   2.811  -4.593  -3.858
   25   2HG   PRO   6          1HG       PRO   6   2.943  -6.266  -3.283
   26   1HD   PRO   6          2HD       PRO   6   0.564  -5.193  -3.833
   27   2HD   PRO   6          1HD       PRO   6   0.773  -6.273  -2.437
   28    H    ARG   7           H        ARG   7   1.982  -2.193  -3.057
   29    HA   ARG   7           HA       ARG   7   3.515  -0.200  -1.538
   30   1HB   ARG   7          2HB       ARG   7   3.973   0.879  -3.496
   31   2HB   ARG   7          1HB       ARG   7   3.932  -0.799  -4.012
   32   1HG   ARG   7          2HG       ARG   7   1.360  -0.025  -4.438
   33   2HG   ARG   7          1HG       ARG   7   2.235   1.473  -4.759
   34   1HD   ARG   7          2HD       ARG   7   2.319   0.538  -6.839
   35   2HD   ARG   7          1HD       ARG   7   3.785  -0.162  -6.151
   36    HE   ARG   7           HE       ARG   7   1.540  -1.818  -5.627
   37   1HH1  ARG   7          1HH1      ARG   7   3.741  -0.912  -8.204
   38   2HH1  ARG   7          2HH1      ARG   7   3.501  -2.377  -9.094
   39   1HH2  ARG   7          1HH2      ARG   7   1.204  -3.726  -6.775
   40   2HH2  ARG   7          2HH2      ARG   7   2.047  -3.994  -8.279
   41   1HN   SEC   8          H         SEC   8   0.491  -1.008  -1.934
   42    HA   SEC   8           HA       SEC   8  -0.607   1.688  -1.757
   43   1HB   SEC   8          1HB       SEC   8  -2.752  -0.016  -1.947
   44   2HB   SEC   8          2HB       SEC   8  -1.517  -0.832  -2.900
   45    H    ALA   9           H        ALA   9   0.139  -1.088   0.035
   46    HA   ALA   9           HA       ALA   9  -1.806  -0.936   2.076
   47   1HB   ALA   9          1HB       ALA   9   0.859  -2.215   1.771
   48   2HB   ALA   9          2HB       ALA   9  -0.690  -2.925   2.230
   49   3HB   ALA   9          3HB       ALA   9   0.240  -1.997   3.408
   50    H    TRP  10           H        TRP  10   1.188   0.661   1.390
   51    HA   TRP  10           HA       TRP  10   0.944   2.227   3.829
   52   1HB   TRP  10          2HB       TRP  10   3.183   3.197   3.085
   53   2HB   TRP  10          1HB       TRP  10   3.146   1.555   3.677
   54    HD1  TRP  10           HD       TRP  10   4.357  -0.173   2.300
   55    HE1  TRP  10           1HE      TRP  10   5.499  -0.220   0.002
   56    HE3  TRP  10           3HE      TRP  10   2.743   4.331   0.467
   57    HZ2  TRP  10           2HZ      TRP  10   5.714   1.425  -2.269
   58    HZ3  TRP  10           3HZ      TRP  10   3.483   5.021  -1.768
   59    HH2  TRP  10           HH       TRP  10   4.933   3.593  -3.113
   60    H    ARG  11           H        ARG  11  -0.934   2.427   1.803
   61    HA   ARG  11           HA       ARG  11  -0.675   5.264   1.132
   62   1HB   ARG  11          2HB       ARG  11  -0.246   3.862  -0.897
   63   2HB   ARG  11          1HB       ARG  11  -1.857   3.182  -0.721
   64   1HG   ARG  11          2HG       ARG  11  -1.796   4.935  -2.412
   65   2HG   ARG  11          1HG       ARG  11  -2.843   5.377  -1.061
   66   1HD   ARG  11          2HD       ARG  11  -1.437   7.253  -1.795
   67   2HD   ARG  11          1HD       ARG  11  -1.101   6.781  -0.130
   68    HE   ARG  11           HE       ARG  11   0.667   5.422  -1.836
   69   1HH1  ARG  11          1HH1      ARG  11   0.016   8.645  -0.656
   70   2HH1  ARG  11          2HH1      ARG  11   1.655   9.182  -0.816
   71   1HH2  ARG  11          1HH2      ARG  11   2.841   6.118  -2.052
   72   2HH2  ARG  11          2HH2      ARG  11   3.269   7.737  -1.614
   73   1HN   SEC  12          H         SEC  12  -2.645   2.467   1.864
   74    HA   SEC  12           HA       SEC  12  -5.119   3.953   2.052
   75   1HB   SEC  12          1HB       SEC  12  -5.230   1.660   1.264
   76   2HB   SEC  12          2HB       SEC  12  -6.014   1.737   2.844
  Start of MODEL   14
    1   1H    GLY   1           H        GLY   1 -10.978   1.682  -1.469
    2   1HA   GLY   1          2HA       GLY   1  -8.827   3.197  -0.279
    3   2HA   GLY   1          1HA       GLY   1  -9.329   1.799   0.662
    4   1HN   SEC   2          H         SEC   2  -6.886   2.575  -1.049
    5    HA   SEC   2           HA       SEC   2  -6.835   0.278  -2.856
    6   1HB   SEC   2          1HB       SEC   2  -4.740   2.448  -2.518
    7   2HB   SEC   2          2HB       SEC   2  -6.065   2.549  -3.678
    8   1HN   SEC   3          H         SEC   3  -7.022  -0.628  -0.495
    9    HA   SEC   3           HA       SEC   3  -4.418  -0.846   0.781
   10   1HB   SEC   3          1HB       SEC   3  -6.790  -2.254   1.823
   11   2HB   SEC   3          2HB       SEC   3  -6.874  -0.493   1.790
   12    H    SER   4           H        SER   4  -5.612  -2.355  -1.708
   13    HA   SER   4           HA       SER   4  -5.114  -5.098  -0.843
   14   1HB   SER   4          2HB       SER   4  -6.178  -4.153  -3.503
   15   2HB   SER   4          1HB       SER   4  -6.242  -5.789  -2.845
   16    HG   SER   4           HG       SER   4  -7.857  -5.236  -1.577
   17    H    ASP   5           H        ASP   5  -2.838  -3.177  -1.392
   18    HA   ASP   5           HA       ASP   5  -1.291  -5.046  -2.980
   19   1HB   ASP   5          2HB       ASP   5  -2.115  -3.545  -4.738
   20   2HB   ASP   5          1HB       ASP   5  -1.526  -2.152  -3.848
   21    HA   PRO   6           HA       PRO   6   1.737  -4.085   0.098
   22   1HB   PRO   6          2HB       PRO   6   4.011  -4.281  -1.506
   23   2HB   PRO   6          1HB       PRO   6   3.235  -5.613  -0.648
   24   1HG   PRO   6          2HG       PRO   6   2.978  -4.791  -3.504
   25   2HG   PRO   6          1HG       PRO   6   3.014  -6.419  -2.801
   26   1HD   PRO   6          2HD       PRO   6   0.721  -5.319  -3.622
   27   2HD   PRO   6          1HD       PRO   6   0.782  -6.324  -2.158
   28    H    ARG   7           H        ARG   7   1.921  -2.430  -3.022
   29    HA   ARG   7           HA       ARG   7   3.462  -0.220  -1.878
   30   1HB   ARG   7          2HB       ARG   7   2.436  -0.786  -4.644
   31   2HB   ARG   7          1HB       ARG   7   3.227   0.714  -4.186
   32   1HG   ARG   7          2HG       ARG   7   5.260  -0.213  -4.121
   33   2HG   ARG   7          1HG       ARG   7   4.656  -1.745  -3.482
   34   1HD   ARG   7          2HD       ARG   7   4.585  -0.787  -6.339
   35   2HD   ARG   7          1HD       ARG   7   5.472  -2.166  -5.692
   36    HE   ARG   7           HE       ARG   7   2.662  -2.432  -5.239
   37   1HH1  ARG   7          1HH1      ARG   7   5.108  -2.731  -7.729
   38   2HH1  ARG   7          2HH1      ARG   7   4.209  -3.886  -8.654
   39   1HH2  ARG   7          1HH2      ARG   7   1.469  -3.963  -6.434
   40   2HH2  ARG   7          2HH2      ARG   7   2.134  -4.586  -7.918
   41   1HN   SEC   8          H         SEC   8   0.572  -1.028  -1.459
   42    HA   SEC   8           HA       SEC   8  -0.501   1.678  -1.642
   43   1HB   SEC   8          1HB       SEC   8  -2.697  -0.019  -1.907
   44   2HB   SEC   8          2HB       SEC   8  -1.461  -0.720  -2.947
   45    H    ALA   9           H        ALA   9   0.225  -1.051   0.146
   46    HA   ALA   9           HA       ALA   9  -1.762  -0.929   2.163
   47   1HB   ALA   9          1HB       ALA   9   0.892  -2.222   1.858
   48   2HB   ALA   9          2HB       ALA   9  -0.655  -2.916   2.346
   49   3HB   ALA   9          3HB       ALA   9   0.297  -1.981   3.501
   50    H    TRP  10           H        TRP  10   1.284   0.620   1.529
   51    HA   TRP  10           HA       TRP  10   0.960   2.244   3.925
   52   1HB   TRP  10          2HB       TRP  10   3.231   3.230   3.064
   53   2HB   TRP  10          1HB       TRP  10   3.172   1.738   3.974
   54    HD1  TRP  10           HD       TRP  10   4.527  -0.156   3.038
   55    HE1  TRP  10           1HE      TRP  10   5.707  -0.674   0.820
   56    HE3  TRP  10           3HE      TRP  10   2.723   3.711   0.184
   57    HZ2  TRP  10           2HZ      TRP  10   5.885   0.406  -1.765
   58    HZ3  TRP  10           3HZ      TRP  10   3.475   3.899  -2.137
   59    HH2  TRP  10           HH       TRP  10   5.018   2.274  -3.098
   60    H    ARG  11           H        ARG  11  -0.820   2.384   1.783
   61    HA   ARG  11           HA       ARG  11  -0.500   5.199   1.053
   62   1HB   ARG  11          2HB       ARG  11  -0.012   3.829  -0.939
   63   2HB   ARG  11          1HB       ARG  11  -1.574   3.037  -0.774
   64   1HG   ARG  11          2HG       ARG  11  -1.641   4.737  -2.501
   65   2HG   ARG  11          1HG       ARG  11  -2.699   5.172  -1.156
   66   1HD   ARG  11          2HD       ARG  11  -0.859   6.605  -0.269
   67   2HD   ARG  11          1HD       ARG  11   0.051   6.265  -1.740
   68    HE   ARG  11           HE       ARG  11  -1.226   7.796  -2.832
   69   1HH1  ARG  11          1HH1      ARG  11  -2.915   6.885   0.109
   70   2HH1  ARG  11          2HH1      ARG  11  -4.189   8.039  -0.120
   71   1HH2  ARG  11          1HH2      ARG  11  -2.917   9.311  -3.132
   72   2HH2  ARG  11          2HH2      ARG  11  -4.193   9.415  -1.967
   73   1HN   SEC  12          H         SEC  12  -2.530   2.476   1.859
   74    HA   SEC  12           HA       SEC  12  -5.006   3.963   1.834
   75   1HB   SEC  12          1HB       SEC  12  -5.128   1.633   1.224
   76   2HB   SEC  12          2HB       SEC  12  -5.908   1.795   2.800
  Start of MODEL   15
    1   1H    GLY   1           H        GLY   1  -9.123   3.370   0.986
    2   1HA   GLY   1          2HA       GLY   1 -10.135   1.522  -0.299
    3   2HA   GLY   1          1HA       GLY   1  -9.733   2.865  -1.359
    4   1HN   SEC   2          H         SEC   2  -6.905   2.488  -1.267
    5    HA   SEC   2           HA       SEC   2  -6.690   0.165  -3.037
    6   1HB   SEC   2          1HB       SEC   2  -4.624   2.332  -2.567
    7   2HB   SEC   2          2HB       SEC   2  -5.908   2.492  -3.765
    8   1HN   SEC   3          H         SEC   3  -7.049  -0.639  -0.613
    9    HA   SEC   3           HA       SEC   3  -4.531  -0.846   0.816
   10   1HB   SEC   3          1HB       SEC   3  -6.981  -2.195   1.759
   11   2HB   SEC   3          2HB       SEC   3  -7.033  -0.434   1.668
   12    H    SER   4           H        SER   4  -5.615  -2.471  -1.671
   13    HA   SER   4           HA       SER   4  -4.949  -5.131  -0.618
   14   1HB   SER   4          2HB       SER   4  -6.384  -4.455  -3.191
   15   2HB   SER   4          1HB       SER   4  -6.189  -6.058  -2.479
   16    HG   SER   4           HG       SER   4  -7.346  -5.162  -0.619
   17    H    ASP   5           H        ASP   5  -2.845  -3.274  -1.284
   18    HA   ASP   5           HA       ASP   5  -1.381  -4.973  -3.115
   19   1HB   ASP   5          2HB       ASP   5  -2.258  -3.497  -4.758
   20   2HB   ASP   5          1HB       ASP   5  -1.972  -2.085  -3.757
   21    HA   PRO   6           HA       PRO   6   1.833  -4.308  -0.170
   22   1HB   PRO   6          2HB       PRO   6   3.614  -4.374  -2.557
   23   2HB   PRO   6          1HB       PRO   6   3.715  -5.289  -1.048
   24   1HG   PRO   6          2HG       PRO   6   2.827  -6.451  -3.264
   25   2HG   PRO   6          1HG       PRO   6   2.068  -6.793  -1.698
   26   1HD   PRO   6          2HD       PRO   6   1.097  -5.082  -3.943
   27   2HD   PRO   6          1HD       PRO   6   0.178  -6.120  -2.833
   28    H    ARG   7           H        ARG   7   1.951  -2.340  -3.129
   29    HA   ARG   7           HA       ARG   7   3.480  -0.286  -1.681
   30   1HB   ARG   7          2HB       ARG   7   2.860  -0.707  -4.584
   31   2HB   ARG   7          1HB       ARG   7   3.428   0.836  -3.967
   32   1HG   ARG   7          2HG       ARG   7   5.527   0.105  -3.669
   33   2HG   ARG   7          1HG       ARG   7   5.008  -1.506  -3.170
   34   1HD   ARG   7          2HD       ARG   7   4.805  -0.579  -6.029
   35   2HD   ARG   7          1HD       ARG   7   6.275  -1.313  -5.392
   36    HE   ARG   7           HE       ARG   7   5.240  -3.361  -5.416
   37   1HH1  ARG   7          1HH1      ARG   7   2.861  -0.910  -6.160
   38   2HH1  ARG   7          2HH1      ARG   7   1.539  -2.030  -6.245
   39   1HH2  ARG   7          1HH2      ARG   7   3.490  -4.854  -5.634
   40   2HH2  ARG   7          2HH2      ARG   7   1.891  -4.249  -5.969
   41   1HN   SEC   8          H         SEC   8   0.674  -0.999  -1.381
   42    HA   SEC   8           HA       SEC   8  -0.434   1.685  -1.644
   43   1HB   SEC   8          1HB       SEC   8  -2.600  -0.042  -1.973
   44   2HB   SEC   8          2HB       SEC   8  -1.319  -0.724  -2.972
   45    H    ALA   9           H        ALA   9   0.213  -1.052   0.197
   46    HA   ALA   9           HA       ALA   9  -1.866  -0.930   2.109
   47   1HB   ALA   9          1HB       ALA   9   0.160  -1.906   3.567
   48   2HB   ALA   9          2HB       ALA   9   0.811  -2.183   1.951
   49   3HB   ALA   9          3HB       ALA   9  -0.743  -2.882   2.409
   50    H    TRP  10           H        TRP  10   1.163   0.691   1.624
   51    HA   TRP  10           HA       TRP  10   0.686   2.338   3.981
   52   1HB   TRP  10          2HB       TRP  10   2.985   3.344   3.241
   53   2HB   TRP  10          1HB       TRP  10   2.903   1.846   4.142
   54    HD1  TRP  10           HD       TRP  10   4.316  -0.033   3.255
   55    HE1  TRP  10           1HE      TRP  10   5.586  -0.531   1.082
   56    HE3  TRP  10           3HE      TRP  10   2.593   3.836   0.357
   57    HZ2  TRP  10           2HZ      TRP  10   5.856   0.565  -1.488
   58    HZ3  TRP  10           3HZ      TRP  10   3.432   4.040  -1.934
   59    HH2  TRP  10           HH       TRP  10   5.024   2.433  -2.843
   60    H    ARG  11           H        ARG  11  -1.054   2.489   1.906
   61    HA   ARG  11           HA       ARG  11  -0.705   5.265   1.061
   62   1HB   ARG  11          2HB       ARG  11  -0.156   3.773  -0.855
   63   2HB   ARG  11          1HB       ARG  11  -1.757   3.062  -0.731
   64   1HG   ARG  11          2HG       ARG  11  -1.675   4.688  -2.521
   65   2HG   ARG  11          1HG       ARG  11  -2.760   5.233  -1.240
   66   1HD   ARG  11          2HD       ARG  11  -1.322   7.042  -2.107
   67   2HD   ARG  11          1HD       ARG  11  -1.074   6.734  -0.390
   68    HE   ARG  11           HE       ARG  11   1.097   6.284  -0.863
   69   1HH1  ARG  11          1HH1      ARG  11  -0.745   5.711  -3.790
   70   2HH1  ARG  11          2HH1      ARG  11   0.645   5.310  -4.740
   71   1HH2  ARG  11          1HH2      ARG  11   2.934   5.777  -2.122
   72   2HH2  ARG  11          2HH2      ARG  11   2.743   5.350  -3.791
   73   1HN   SEC  12          H         SEC  12  -2.718   2.533   1.859
   74    HA   SEC  12           HA       SEC  12  -5.209   3.997   1.766
   75   1HB   SEC  12          1HB       SEC  12  -5.255   1.655   1.145
   76   2HB   SEC  12          2HB       SEC  12  -6.130   1.829   2.669
  Start of MODEL   16
    1   1H    GLY   1           H        GLY   1  -8.768   3.240   1.634
    2   1HA   GLY   1          2HA       GLY   1  -9.914   1.436   0.447
    3   2HA   GLY   1          1HA       GLY   1  -9.719   2.807  -0.635
    4   1HN   SEC   2          H         SEC   2  -6.904   2.516  -1.002
    5    HA   SEC   2           HA       SEC   2  -6.910   0.224  -2.828
    6   1HB   SEC   2          1HB       SEC   2  -4.990   2.571  -2.633
    7   2HB   SEC   2          2HB       SEC   2  -6.324   2.444  -3.779
    8   1HN   SEC   3          H         SEC   3  -6.821  -0.600  -0.343
    9    HA   SEC   3           HA       SEC   3  -4.054  -0.754   0.537
   10   1HB   SEC   3          1HB       SEC   3  -6.207  -2.166   1.977
   11   2HB   SEC   3          2HB       SEC   3  -6.332  -0.407   1.902
   12    H    SER   4           H        SER   4  -5.642  -2.362  -1.665
   13    HA   SER   4           HA       SER   4  -5.051  -5.083  -0.861
   14   1HB   SER   4          2HB       SER   4  -6.153  -4.120  -3.502
   15   2HB   SER   4          1HB       SER   4  -6.248  -5.748  -2.829
   16    HG   SER   4           HG       SER   4  -8.007  -5.135  -1.882
   17    H    ASP   5           H        ASP   5  -2.785  -3.199  -1.413
   18    HA   ASP   5           HA       ASP   5  -1.268  -5.024  -3.071
   19   1HB   ASP   5          2HB       ASP   5  -2.083  -3.536  -4.802
   20   2HB   ASP   5          1HB       ASP   5  -1.619  -2.122  -3.867
   21    HA   PRO   6           HA       PRO   6   1.791  -4.280   0.020
   22   1HB   PRO   6          2HB       PRO   6   3.707  -4.381  -2.261
   23   2HB   PRO   6          1HB       PRO   6   3.732  -5.262  -0.729
   24   1HG   PRO   6          2HG       PRO   6   2.980  -6.481  -2.963
   25   2HG   PRO   6          1HG       PRO   6   2.140  -6.798  -1.434
   26   1HD   PRO   6          2HD       PRO   6   1.274  -5.155  -3.770
   27   2HD   PRO   6          1HD       PRO   6   0.307  -6.169  -2.681
   28    H    ARG   7           H        ARG   7   2.002  -2.373  -2.965
   29    HA   ARG   7           HA       ARG   7   3.467  -0.261  -1.521
   30   1HB   ARG   7          2HB       ARG   7   2.873  -0.646  -4.445
   31   2HB   ARG   7          1HB       ARG   7   3.658   0.768  -3.764
   32   1HG   ARG   7          2HG       ARG   7   5.560  -0.418  -3.166
   33   2HG   ARG   7          1HG       ARG   7   4.744  -1.977  -3.317
   34   1HD   ARG   7          2HD       ARG   7   5.834  -0.190  -5.448
   35   2HD   ARG   7          1HD       ARG   7   5.992  -1.935  -5.264
   36    HE   ARG   7           HE       ARG   7   4.047  -0.583  -6.787
   37   1HH1  ARG   7          1HH1      ARG   7   4.365  -3.393  -4.711
   38   2HH1  ARG   7          2HH1      ARG   7   2.911  -4.135  -5.290
   39   1HH2  ARG   7          1HH2      ARG   7   2.145  -1.602  -7.565
   40   2HH2  ARG   7          2HH2      ARG   7   1.632  -3.112  -6.875
   41   1HN   SEC   8          H         SEC   8   0.585  -1.002  -1.440
   42    HA   SEC   8           HA       SEC   8  -0.443   1.707  -1.772
   43   1HB   SEC   8          1HB       SEC   8  -2.499  -0.266  -2.308
   44   2HB   SEC   8          2HB       SEC   8  -1.145  -0.441  -3.426
   45    H    ALA   9           H        ALA   9  -0.029  -1.097   0.041
   46    HA   ALA   9           HA       ALA   9  -2.212  -0.967   1.820
   47   1HB   ALA   9          1HB       ALA   9  -0.130  -2.690   1.495
   48   2HB   ALA   9          2HB       ALA   9  -1.190  -2.670   2.904
   49   3HB   ALA   9          3HB       ALA   9   0.360  -1.830   2.954
   50    H    TRP  10           H        TRP  10   1.017   0.405   1.799
   51    HA   TRP  10           HA       TRP  10   0.331   2.094   4.060
   52   1HB   TRP  10          2HB       TRP  10   2.748   2.973   3.611
   53   2HB   TRP  10          1HB       TRP  10   2.485   1.456   4.441
   54    HD1  TRP  10           HD       TRP  10   3.981  -0.405   3.700
   55    HE1  TRP  10           1HE      TRP  10   5.426  -0.935   1.646
   56    HE3  TRP  10           3HE      TRP  10   2.584   3.481   0.646
   57    HZ2  TRP  10           2HZ      TRP  10   5.936   0.139  -0.895
   58    HZ3  TRP  10           3HZ      TRP  10   3.624   3.654  -1.564
   59    HH2  TRP  10           HH       TRP  10   5.259   2.013  -2.325
   60    H    ARG  11           H        ARG  11  -1.161   2.397   1.816
   61    HA   ARG  11           HA       ARG  11  -0.631   5.181   1.174
   62   1HB   ARG  11          2HB       ARG  11   0.310   3.762  -0.670
   63   2HB   ARG  11          1HB       ARG  11  -1.311   3.152  -0.962
   64   1HG   ARG  11          2HG       ARG  11  -0.675   4.918  -2.535
   65   2HG   ARG  11          1HG       ARG  11  -2.077   5.365  -1.559
   66   1HD   ARG  11          2HD       ARG  11  -0.480   7.220  -1.792
   67   2HD   ARG  11          1HD       ARG  11  -0.681   6.720  -0.115
   68    HE   ARG  11           HE       ARG  11   1.535   6.224  -0.057
   69   1HH1  ARG  11          1HH1      ARG  11   0.533   6.210  -3.413
   70   2HH1  ARG  11          2HH1      ARG  11   2.130   5.941  -4.025
   71   1HH2  ARG  11          1HH2      ARG  11   3.647   5.876  -0.858
   72   2HH2  ARG  11          2HH2      ARG  11   3.908   5.751  -2.566
   73   1HN   SEC  12          H         SEC  12  -2.678   2.682   2.066
   74    HA   SEC  12           HA       SEC  12  -5.148   3.821   1.098
   75   1HB   SEC  12          1HB       SEC  12  -4.689   1.318   1.342
   76   2HB   SEC  12          2HB       SEC  12  -6.208   1.894   2.030
  Start of MODEL   17
    1   1H    GLY   1           H        GLY   1  -9.783   3.998  -0.860
    2   1HA   GLY   1          2HA       GLY   1  -9.192   1.731   0.757
    3   2HA   GLY   1          1HA       GLY   1 -10.407   1.815  -0.511
    4   1HN   SEC   2          H         SEC   2  -6.999   2.468  -0.957
    5    HA   SEC   2           HA       SEC   2  -6.850   0.238  -2.849
    6   1HB   SEC   2          1HB       SEC   2  -4.852   2.480  -2.406
    7   2HB   SEC   2          2HB       SEC   2  -6.164   2.562  -3.581
    8   1HN   SEC   3          H         SEC   3  -7.021  -0.708  -0.470
    9    HA   SEC   3           HA       SEC   3  -4.403  -0.902   0.774
   10   1HB   SEC   3          1HB       SEC   3  -6.747  -2.357   1.819
   11   2HB   SEC   3          2HB       SEC   3  -6.857  -0.597   1.803
   12    H    SER   4           H        SER   4  -5.626  -2.409  -1.714
   13    HA   SER   4           HA       SER   4  -5.062  -5.149  -0.886
   14   1HB   SER   4          2HB       SER   4  -6.160  -4.197  -3.530
   15   2HB   SER   4          1HB       SER   4  -6.197  -5.837  -2.883
   16    HG   SER   4           HG       SER   4  -7.847  -5.327  -1.664
   17    H    ASP   5           H        ASP   5  -2.820  -3.201  -1.408
   18    HA   ASP   5           HA       ASP   5  -1.260  -5.010  -3.051
   19   1HB   ASP   5          2HB       ASP   5  -2.113  -3.475  -4.765
   20   2HB   ASP   5          1HB       ASP   5  -1.538  -2.097  -3.841
   21    HA   PRO   6           HA       PRO   6   1.781  -4.098   0.034
   22   1HB   PRO   6          2HB       PRO   6   3.732  -4.276  -2.206
   23   2HB   PRO   6          1HB       PRO   6   3.722  -5.118  -0.652
   24   1HG   PRO   6          2HG       PRO   6   3.033  -6.391  -2.883
   25   2HG   PRO   6          1HG       PRO   6   2.165  -6.687  -1.364
   26   1HD   PRO   6          2HD       PRO   6   1.336  -5.082  -3.742
   27   2HD   PRO   6          1HD       PRO   6   0.356  -6.107  -2.675
   28    H    ARG   7           H        ARG   7   1.911  -2.375  -3.049
   29    HA   ARG   7           HA       ARG   7   3.435  -0.170  -1.870
   30   1HB   ARG   7          2HB       ARG   7   2.427  -0.700  -4.651
   31   2HB   ARG   7          1HB       ARG   7   3.210   0.793  -4.162
   32   1HG   ARG   7          2HG       ARG   7   5.246  -0.126  -4.107
   33   2HG   ARG   7          1HG       ARG   7   4.647  -1.671  -3.500
   34   1HD   ARG   7          2HD       ARG   7   4.587  -0.658  -6.338
   35   2HD   ARG   7          1HD       ARG   7   5.466  -2.054  -5.713
   36    HE   ARG   7           HE       ARG   7   2.660  -2.329  -5.268
   37   1HH1  ARG   7          1HH1      ARG   7   5.086  -2.544  -7.788
   38   2HH1  ARG   7          2HH1      ARG   7   4.182  -3.672  -8.739
   39   1HH2  ARG   7          1HH2      ARG   7   1.460  -3.823  -6.500
   40   2HH2  ARG   7          2HH2      ARG   7   2.114  -4.398  -8.010
   41   1HN   SEC   8          H         SEC   8   0.604  -0.995  -1.388
   42    HA   SEC   8           HA       SEC   8  -0.509   1.686  -1.541
   43   1HB   SEC   8          1HB       SEC   8  -2.678  -0.063  -1.905
   44   2HB   SEC   8          2HB       SEC   8  -1.416  -0.615  -3.005
   45    H    ALA   9           H        ALA   9   0.255  -1.038   0.206
   46    HA   ALA   9           HA       ALA   9  -1.790  -1.016   2.175
   47   1HB   ALA   9          1HB       ALA   9   0.912  -2.216   1.920
   48   2HB   ALA   9          2HB       ALA   9  -0.620  -2.966   2.371
   49   3HB   ALA   9          3HB       ALA   9   0.275  -2.008   3.552
   50    H    TRP  10           H        TRP  10   1.233   0.608   1.638
   51    HA   TRP  10           HA       TRP  10   0.784   2.259   3.998
   52   1HB   TRP  10          2HB       TRP  10   3.079   3.256   3.210
   53   2HB   TRP  10          1HB       TRP  10   3.005   1.778   4.142
   54    HD1  TRP  10           HD       TRP  10   4.444  -0.092   3.295
   55    HE1  TRP  10           1HE      TRP  10   5.680  -0.650   1.118
   56    HE3  TRP  10           3HE      TRP  10   2.610   3.647   0.285
   57    HZ2  TRP  10           2HZ      TRP  10   5.888   0.354  -1.495
   58    HZ3  TRP  10           3HZ      TRP  10   3.408   3.778  -2.025
   59    HH2  TRP  10           HH       TRP  10   5.007   2.160  -2.902
   60    H    ARG  11           H        ARG  11  -0.964   2.385   1.884
   61    HA   ARG  11           HA       ARG  11  -0.637   5.170   1.082
   62   1HB   ARG  11          2HB       ARG  11   0.127   3.727  -0.792
   63   2HB   ARG  11          1HB       ARG  11  -1.462   2.981  -0.835
   64   1HG   ARG  11          2HG       ARG  11  -2.475   4.894  -1.677
   65   2HG   ARG  11          1HG       ARG  11  -1.145   5.938  -1.166
   66   1HD   ARG  11          2HD       ARG  11   0.312   4.925  -2.832
   67   2HD   ARG  11          1HD       ARG  11  -0.977   3.826  -3.316
   68    HE   ARG  11           HE       ARG  11  -0.713   6.629  -3.994
   69   1HH1  ARG  11          1HH1      ARG  11  -2.737   3.778  -4.000
   70   2HH1  ARG  11          2HH1      ARG  11  -3.897   4.443  -5.102
   71   1HH2  ARG  11          1HH2      ARG  11  -2.240   7.517  -5.458
   72   2HH2  ARG  11          2HH2      ARG  11  -3.614   6.577  -5.933
   73   1HN   SEC  12          H         SEC  12  -2.612   2.453   1.923
   74    HA   SEC  12           HA       SEC  12  -5.143   3.782   1.498
   75   1HB   SEC  12          1HB       SEC  12  -5.156   1.413   1.123
   76   2HB   SEC  12          2HB       SEC  12  -6.023   1.670   2.640
  Start of MODEL   18
    1   1H    GLY   1           H        GLY   1  -8.833   3.063   1.759
    2   1HA   GLY   1          2HA       GLY   1  -9.961   1.395   0.442
    3   2HA   GLY   1          1HA       GLY   1  -9.746   2.794  -0.602
    4   1HN   SEC   2          H         SEC   2  -6.941   2.528  -0.958
    5    HA   SEC   2           HA       SEC   2  -6.909   0.262  -2.815
    6   1HB   SEC   2          1HB       SEC   2  -5.026   2.634  -2.576
    7   2HB   SEC   2          2HB       SEC   2  -6.345   2.496  -3.739
    8   1HN   SEC   3          H         SEC   3  -6.825  -0.596  -0.342
    9    HA   SEC   3           HA       SEC   3  -4.059  -0.727   0.547
   10   1HB   SEC   3          1HB       SEC   3  -6.197  -2.168   1.977
   11   2HB   SEC   3          2HB       SEC   3  -6.348  -0.412   1.907
   12    H    SER   4           H        SER   4  -5.646  -2.337  -1.663
   13    HA   SER   4           HA       SER   4  -5.021  -5.056  -0.879
   14   1HB   SER   4          2HB       SER   4  -6.152  -4.090  -3.505
   15   2HB   SER   4          1HB       SER   4  -6.226  -5.723  -2.841
   16    HG   SER   4           HG       SER   4  -7.990  -5.132  -1.890
   17    H    ASP   5           H        ASP   5  -2.758  -3.200  -1.392
   18    HA   ASP   5           HA       ASP   5  -1.256  -4.978  -3.119
   19   1HB   ASP   5          2HB       ASP   5  -2.020  -3.418  -4.800
   20   2HB   ASP   5          1HB       ASP   5  -1.583  -2.045  -3.793
   21    HA   PRO   6           HA       PRO   6   1.792  -4.277   0.001
   22   1HB   PRO   6          2HB       PRO   6   4.049  -4.445  -1.635
   23   2HB   PRO   6          1HB       PRO   6   3.248  -5.794  -0.826
   24   1HG   PRO   6          2HG       PRO   6   2.994  -4.847  -3.641
   25   2HG   PRO   6          1HG       PRO   6   2.973  -6.502  -3.003
   26   1HD   PRO   6          2HD       PRO   6   0.720  -5.277  -3.768
   27   2HD   PRO   6          1HD       PRO   6   0.748  -6.356  -2.356
   28    H    ARG   7           H        ARG   7   1.885  -2.361  -2.968
   29    HA   ARG   7           HA       ARG   7   3.451  -0.284  -1.575
   30   1HB   ARG   7          2HB       ARG   7   2.818  -0.683  -4.490
   31   2HB   ARG   7          1HB       ARG   7   3.519   0.786  -3.839
   32   1HG   ARG   7          2HG       ARG   7   5.311  -0.462  -4.699
   33   2HG   ARG   7          1HG       ARG   7   5.382  -0.643  -2.942
   34   1HD   ARG   7          2HD       ARG   7   5.690  -2.748  -4.411
   35   2HD   ARG   7          1HD       ARG   7   4.619  -2.844  -3.014
   36    HE   ARG   7           HE       ARG   7   2.843  -3.176  -4.424
   37   1HH1  ARG   7          1HH1      ARG   7   5.545  -2.042  -6.343
   38   2HH1  ARG   7          2HH1      ARG   7   4.712  -2.236  -7.846
   39   1HH2  ARG   7          1HH2      ARG   7   1.737  -3.428  -6.366
   40   2HH2  ARG   7          2HH2      ARG   7   2.533  -3.029  -7.864
   41   1HN   SEC   8          H         SEC   8   0.582  -0.992  -1.379
   42    HA   SEC   8           HA       SEC   8  -0.432   1.718  -1.675
   43   1HB   SEC   8          1HB       SEC   8  -2.507  -0.225  -2.256
   44   2HB   SEC   8          2HB       SEC   8  -1.157  -0.372  -3.384
   45    H    ALA   9           H        ALA   9   0.011  -1.088   0.097
   46    HA   ALA   9           HA       ALA   9  -2.180  -1.013   1.877
   47   1HB   ALA   9          1HB       ALA   9  -0.359  -2.844   1.571
   48   2HB   ALA   9          2HB       ALA   9  -1.000  -2.543   3.186
   49   3HB   ALA   9          3HB       ALA   9   0.565  -1.876   2.721
   50    H    TRP  10           H        TRP  10   1.006   0.436   1.823
   51    HA   TRP  10           HA       TRP  10   0.312   2.104   4.106
   52   1HB   TRP  10          2HB       TRP  10   2.734   2.985   3.646
   53   2HB   TRP  10          1HB       TRP  10   2.469   1.481   4.498
   54    HD1  TRP  10           HD       TRP  10   3.956  -0.396   3.777
   55    HE1  TRP  10           1HE      TRP  10   5.387  -0.965   1.725
   56    HE3  TRP  10           3HE      TRP  10   2.570   3.453   0.666
   57    HZ2  TRP  10           2HZ      TRP  10   5.892   0.068  -0.834
   58    HZ3  TRP  10           3HZ      TRP  10   3.600   3.587  -1.548
   59    HH2  TRP  10           HH       TRP  10   5.221   1.925  -2.290
   60    H    ARG  11           H        ARG  11  -1.137   2.371   1.791
   61    HA   ARG  11           HA       ARG  11  -0.619   5.163   1.149
   62   1HB   ARG  11          2HB       ARG  11   0.431   3.830  -0.642
   63   2HB   ARG  11          1HB       ARG  11  -1.100   3.021  -0.934
   64   1HG   ARG  11          2HG       ARG  11  -2.094   5.111  -1.660
   65   2HG   ARG  11          1HG       ARG  11  -0.590   5.965  -1.304
   66   1HD   ARG  11          2HD       ARG  11   0.582   4.696  -2.986
   67   2HD   ARG  11          1HD       ARG  11  -0.841   3.697  -3.276
   68    HE   ARG  11           HE       ARG  11  -1.584   5.297  -4.699
   69   1HH1  ARG  11          1HH1      ARG  11   0.666   6.815  -2.490
   70   2HH1  ARG  11          2HH1      ARG  11   0.567   8.368  -3.247
   71   1HH2  ARG  11          1HH2      ARG  11  -1.718   7.345  -5.710
   72   2HH2  ARG  11          2HH2      ARG  11  -0.795   8.672  -5.087
   73   1HN   SEC  12          H         SEC  12  -2.673   2.701   2.063
   74    HA   SEC  12           HA       SEC  12  -5.115   3.768   0.955
   75   1HB   SEC  12          1HB       SEC  12  -4.685   1.291   1.287
   76   2HB   SEC  12          2HB       SEC  12  -6.198   1.882   1.974
  Start of MODEL   19
    1   1H    GLY   1           H        GLY   1  -9.119   2.906   1.376
    2   1HA   GLY   1          2HA       GLY   1 -10.090   1.275  -0.116
    3   2HA   GLY   1          1HA       GLY   1  -9.761   2.714  -1.071
    4   1HN   SEC   2          H         SEC   2  -6.927   2.444  -1.086
    5    HA   SEC   2           HA       SEC   2  -6.679   0.306  -3.071
    6   1HB   SEC   2          1HB       SEC   2  -4.676   2.479  -2.411
    7   2HB   SEC   2          2HB       SEC   2  -5.983   2.704  -3.572
    8   1HN   SEC   3          H         SEC   3  -6.942  -0.615  -0.575
    9    HA   SEC   3           HA       SEC   3  -4.319  -1.047   0.594
   10   1HB   SEC   3          1HB       SEC   3  -6.747  -2.379   1.640
   11   2HB   SEC   3          2HB       SEC   3  -6.694  -0.620   1.737
   12    H    SER   4           H        SER   4  -5.810  -2.365  -1.879
   13    HA   SER   4           HA       SER   4  -5.427  -5.170  -1.248
   14   1HB   SER   4          2HB       SER   4  -6.237  -5.428  -3.664
   15   2HB   SER   4          1HB       SER   4  -7.375  -4.738  -2.507
   16    HG   SER   4           HG       SER   4  -5.974  -3.497  -4.594
   17    H    ASP   5           H        ASP   5  -3.132  -3.258  -1.482
   18    HA   ASP   5           HA       ASP   5  -1.449  -4.977  -3.092
   19   1HB   ASP   5          2HB       ASP   5  -2.150  -3.358  -4.768
   20   2HB   ASP   5          1HB       ASP   5  -1.739  -2.023  -3.699
   21    HA   PRO   6           HA       PRO   6   1.118  -4.184   0.403
   22   1HB   PRO   6          2HB       PRO   6   3.540  -4.921  -0.645
   23   2HB   PRO   6          1HB       PRO   6   2.318  -6.063  -0.074
   24   1HG   PRO   6          2HG       PRO   6   2.916  -5.161  -2.862
   25   2HG   PRO   6          1HG       PRO   6   2.533  -6.788  -2.269
   26   1HD   PRO   6          2HD       PRO   6   0.701  -5.249  -3.511
   27   2HD   PRO   6          1HD       PRO   6   0.262  -6.364  -2.200
   28    H    ARG   7           H        ARG   7   2.125  -2.820  -2.690
   29    HA   ARG   7           HA       ARG   7   3.899  -0.927  -1.408
   30   1HB   ARG   7          2HB       ARG   7   4.143  -1.808  -3.803
   31   2HB   ARG   7          1HB       ARG   7   2.806  -0.737  -4.200
   32   1HG   ARG   7          2HG       ARG   7   4.858   0.348  -4.772
   33   2HG   ARG   7          1HG       ARG   7   4.133   1.179  -3.398
   34   1HD   ARG   7          2HD       ARG   7   6.290  -0.909  -3.129
   35   2HD   ARG   7          1HD       ARG   7   6.626   0.813  -3.274
   36    HE   ARG   7           HE       ARG   7   5.811  -0.574  -0.936
   37   1HH1  ARG   7          1HH1      ARG   7   5.477   2.510  -2.567
   38   2HH1  ARG   7          2HH1      ARG   7   5.106   3.382  -1.119
   39   1HH2  ARG   7          1HH2      ARG   7   5.333   0.580   0.980
   40   2HH2  ARG   7          2HH2      ARG   7   5.032   2.285   0.903
   41   1HN   SEC   8          H         SEC   8   0.634  -1.174  -2.450
   42    HA   SEC   8           HA       SEC   8   0.106   1.676  -2.185
   43   1HB   SEC   8          1HB       SEC   8  -2.203  -0.111  -2.431
   44   2HB   SEC   8          2HB       SEC   8  -1.006  -0.324  -3.706
   45    H    ALA   9           H        ALA   9   0.450  -0.856  -0.157
   46    HA   ALA   9           HA       ALA   9  -1.685  -0.560   1.661
   47   1HB   ALA   9          1HB       ALA   9  -0.709  -2.282   2.678
   48   2HB   ALA   9          2HB       ALA   9   0.762  -1.355   2.967
   49   3HB   ALA   9          3HB       ALA   9   0.547  -2.214   1.442
   50    H    TRP  10           H        TRP  10   1.085   1.348   1.014
   51    HA   TRP  10           HA       TRP  10   1.076   2.628   3.608
   52   1HB   TRP  10          2HB       TRP  10   3.052   3.595   3.037
   53   2HB   TRP  10          1HB       TRP  10   3.079   2.289   1.871
   54    HD1  TRP  10           HD       TRP  10   4.310   5.440   1.951
   55    HE1  TRP  10           1HE      TRP  10   4.197   6.760  -0.243
   56    HE3  TRP  10           3HE      TRP  10   0.685   2.739  -0.490
   57    HZ2  TRP  10           2HZ      TRP  10   2.794   6.689  -2.665
   58    HZ3  TRP  10           3HZ      TRP  10   0.034   3.449  -2.746
   59    HH2  TRP  10           HH       TRP  10   1.063   5.383  -3.812
   60    H    ARG  11           H        ARG  11  -0.761   2.746   0.892
   61    HA   ARG  11           HA       ARG  11  -1.352   5.563   0.929
   62   1HB   ARG  11          2HB       ARG  11  -1.313   4.192  -1.170
   63   2HB   ARG  11          1HB       ARG  11  -2.753   3.370  -0.593
   64   1HG   ARG  11          2HG       ARG  11  -4.016   5.416  -0.682
   65   2HG   ARG  11          1HG       ARG  11  -2.566   6.327  -1.116
   66   1HD   ARG  11          2HD       ARG  11  -2.365   5.011  -3.172
   67   2HD   ARG  11          1HD       ARG  11  -3.820   4.117  -2.740
   68    HE   ARG  11           HE       ARG  11  -4.433   6.850  -2.775
   69   1HH1  ARG  11          1HH1      ARG  11  -3.532   4.284  -4.976
   70   2HH1  ARG  11          2HH1      ARG  11  -4.355   4.976  -6.335
   71   1HH2  ARG  11          1HH2      ARG  11  -5.531   7.778  -4.569
   72   2HH2  ARG  11          2HH2      ARG  11  -5.496   6.974  -6.102
   73   1HN   SEC  12          H         SEC  12  -2.776   2.521   1.924
   74    HA   SEC  12           HA       SEC  12  -5.195   3.783   2.911
   75   1HB   SEC  12          1HB       SEC  12  -5.424   1.606   1.870
   76   2HB   SEC  12          2HB       SEC  12  -5.799   1.450   3.588
  Start of MODEL   20
    1   1H    GLY   1           H        GLY   1 -10.924   1.491  -0.996
    2   1HA   GLY   1          2HA       GLY   1  -8.789   3.078   0.091
    3   2HA   GLY   1          1HA       GLY   1  -9.130   1.643   1.049
    4   1HN   SEC   2          H         SEC   2  -6.859   2.559  -0.815
    5    HA   SEC   2           HA       SEC   2  -6.844   0.301  -2.685
    6   1HB   SEC   2          1HB       SEC   2  -4.939   2.655  -2.453
    7   2HB   SEC   2          2HB       SEC   2  -6.279   2.542  -3.595
    8   1HN   SEC   3          H         SEC   3  -6.739  -0.545  -0.181
    9    HA   SEC   3           HA       SEC   3  -3.951  -0.721   0.635
   10   1HB   SEC   3          1HB       SEC   3  -6.073  -2.119   2.133
   11   2HB   SEC   3          2HB       SEC   3  -6.198  -0.361   2.058
   12    H    SER   4           H        SER   4  -5.661  -2.297  -1.512
   13    HA   SER   4           HA       SER   4  -5.031  -5.029  -0.780
   14   1HB   SER   4          2HB       SER   4  -6.250  -4.070  -3.366
   15   2HB   SER   4          1HB       SER   4  -6.375  -5.671  -2.634
   16    HG   SER   4           HG       SER   4  -8.031  -4.973  -1.565
   17    H    ASP   5           H        ASP   5  -2.791  -3.192  -1.346
   18    HA   ASP   5           HA       ASP   5  -1.364  -4.913  -3.191
   19   1HB   ASP   5          2HB       ASP   5  -2.129  -3.344  -4.815
   20   2HB   ASP   5          1HB       ASP   5  -1.810  -1.978  -3.753
   21    HA   PRO   6           HA       PRO   6   1.774  -4.403  -0.130
   22   1HB   PRO   6          2HB       PRO   6   3.645  -4.498  -2.444
   23   2HB   PRO   6          1HB       PRO   6   3.651  -5.440  -0.949
   24   1HG   PRO   6          2HG       PRO   6   2.818  -6.524  -3.233
   25   2HG   PRO   6          1HG       PRO   6   2.004  -6.889  -1.700
   26   1HD   PRO   6          2HD       PRO   6   1.137  -5.116  -3.935
   27   2HD   PRO   6          1HD       PRO   6   0.163  -6.140  -2.862
   28    H    ARG   7           H        ARG   7   2.035  -2.409  -3.061
   29    HA   ARG   7           HA       ARG   7   3.542  -0.407  -1.521
   30   1HB   ARG   7          2HB       ARG   7   3.107  -0.811  -4.456
   31   2HB   ARG   7          1HB       ARG   7   3.680   0.712  -3.797
   32   1HG   ARG   7          2HG       ARG   7   5.732  -0.082  -3.372
   33   2HG   ARG   7          1HG       ARG   7   5.137  -1.678  -2.908
   34   1HD   ARG   7          2HD       ARG   7   5.070  -0.778  -5.775
   35   2HD   ARG   7          1HD       ARG   7   6.545  -1.445  -5.080
   36    HE   ARG   7           HE       ARG   7   5.602  -3.536  -5.141
   37   1HH1  ARG   7          1HH1      ARG   7   3.097  -1.182  -5.849
   38   2HH1  ARG   7          2HH1      ARG   7   1.846  -2.375  -6.033
   39   1HH2  ARG   7          1HH2      ARG   7   3.959  -5.114  -5.492
   40   2HH2  ARG   7          2HH2      ARG   7   2.346  -4.593  -5.876
   41   1HN   SEC   8          H         SEC   8   0.670  -1.015  -1.425
   42    HA   SEC   8           HA       SEC   8  -0.274   1.727  -1.738
   43   1HB   SEC   8          1HB       SEC   8  -2.378  -0.222  -2.275
   44   2HB   SEC   8          2HB       SEC   8  -1.060  -0.316  -3.448
   45    H    ALA   9           H        ALA   9   0.054  -1.104   0.046
   46    HA   ALA   9           HA       ALA   9  -2.127  -0.942   1.818
   47   1HB   ALA   9          1HB       ALA   9  -1.113  -2.919   2.233
   48   2HB   ALA   9          2HB       ALA   9  -0.137  -1.978   3.361
   49   3HB   ALA   9          3HB       ALA   9   0.468  -2.318   1.740
   50    H    TRP  10           H        TRP  10   1.101   0.421   1.798
   51    HA   TRP  10           HA       TRP  10   0.456   2.060   4.105
   52   1HB   TRP  10          2HB       TRP  10   2.864   2.946   3.608
   53   2HB   TRP  10          1HB       TRP  10   2.615   1.414   4.416
   54    HD1  TRP  10           HD       TRP  10   4.003  -0.483   3.570
   55    HE1  TRP  10           1HE      TRP  10   5.400  -0.983   1.479
   56    HE3  TRP  10           3HE      TRP  10   2.706   3.562   0.673
   57    HZ2  TRP  10           2HZ      TRP  10   5.914   0.165  -1.022
   58    HZ3  TRP  10           3HZ      TRP  10   3.721   3.781  -1.541
   59    HH2  TRP  10           HH       TRP  10   5.288   2.111  -2.379
   60    H    ARG  11           H        ARG  11  -0.998   2.363   1.725
   61    HA   ARG  11           HA       ARG  11  -0.480   5.192   1.206
   62   1HB   ARG  11          2HB       ARG  11   0.119   3.278  -0.670
   63   2HB   ARG  11          1HB       ARG  11  -1.529   3.700  -1.109
   64   1HG   ARG  11          2HG       ARG  11   0.730   5.669  -0.808
   65   2HG   ARG  11          1HG       ARG  11   0.168   4.996  -2.338
   66   1HD   ARG  11          2HD       ARG  11  -2.046   5.969  -1.944
   67   2HD   ARG  11          1HD       ARG  11  -1.475   6.646  -0.421
   68    HE   ARG  11           HE       ARG  11   0.194   7.522  -2.508
   69   1HH1  ARG  11          1HH1      ARG  11  -3.053   7.947  -1.282
   70   2HH1  ARG  11          2HH1      ARG  11  -3.226   9.556  -1.901
   71   1HH2  ARG  11          1HH2      ARG  11  -0.014   9.661  -3.334
   72   2HH2  ARG  11          2HH2      ARG  11  -1.487  10.535  -3.074
   73   1HN   SEC  12          H         SEC  12  -2.526   2.720   2.125
   74    HA   SEC  12           HA       SEC  12  -5.006   3.864   1.200
   75   1HB   SEC  12          1HB       SEC  12  -4.564   1.368   1.448
   76   2HB   SEC  12          2HB       SEC  12  -6.058   1.955   2.181