*HEADER    DE NOVO PROTEIN                         10-OCT-16   5H1H              
*TITLE     NMR STRUCTURE OF SLBA, A CHIMERA OF SFTI                              
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: BRADYKININ-TRYPSIN INHIBITOR SECONDARY LOOP CHIMERA;       
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES;                                                     
*COMPND   5 OTHER_DETAILS: CYCLIC PEPTIDE FROM SFTI (RESIDUES 1-6) AND DALK(BA)  
*COMPND   6 (RESIDUES 7-16)                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: HELIANTHUS ANNUUS;                              
*SOURCE   4 ORGANISM_TAXID: 4232                                                 
*KEYWDS    SLBA, SUNFLOWER TRYPSIN INHIBITOR, CYCLIC PEPTIDE, DISULPHIDE BOND,   
*KEYWDS   2 DE NOVO PROTEIN                                                      
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    T.XIAO,J.P.TAM                                                        
*REVDAT   1   19-APR-17 5H1H    0                                                
# Restraints file 1: SLBAnoe.txt
assign (resid 16 and name HD##) (resid 1 and name HN) 3.4 1.8 1.7
assign (resid 1 and name HB#) (resid 1 and name HN) 3.4 1.8 0.6
assign (resid 1 and name HA) (resid 1 and name HN) 3.4 1.8 0
assign (resid 16 and name HA) (resid 1 and name HN) 3.4 1.8 0
assign (resid 2 and name HA) (resid 2 and name HN) 3.4 1.8 0
assign (resid 2 and name HB#) (resid 2 and name HD#) 1.8 1 3
assign (resid 2 and name HB#) (resid 2 and name HN) 3.4 1.8 0.6
assign (resid 1 and name HB#) (resid 2 and name HN) 3.4 1.8 1
assign (resid 7 and name HA) (resid 2 and name HN) 3.4 1.8 0
assign (resid 1 and name HA) (resid 2 and name HN) 3.4 1.8 0
assign (resid 2 and name HB#) (resid 4 and name HN) 5 3.4 1
assign (resid 2 and name HA) (resid 4 and name HN) 5 3.4 0
assign (resid 4 and name HB#) (resid 4 and name HN) 3.4 1.8 0.6
assign (resid 3 and name HA) (resid 4 and name HN) 3.4 1.8 0
assign (resid 4 and name HA) (resid 4 and name HN) 3.4 1.8 0
assign (resid 5 and name HN) (resid 4 and name HN) 5 3.4 0
assign (resid 4 and name HA) (resid 5 and name HN) 3.4 1.8 0
assign (resid 5 and name HA#) (resid 5 and name HN) 3.4 1.8 0.6
assign (resid 5 and name HA#) (resid 6 and name HN) 3.4 1.8 1
assign (resid 6 and name HG#) (resid 6 and name HN) 3.4 1.8 1
assign (resid 6 and name HB#) (resid 6 and name HN) 3.4 1.8 0.6
assign (resid 6 and name HA) (resid 6 and name HN) 3.4 1.8 0
assign (resid 5 and name HN) (resid 6 and name HN) 5 3.4 0
assign (resid 1 and name HA) (resid 7 and name HN) 5 3.4 0
assign (resid 7 and name HA) (resid 7 and name HN) 3.4 1.8 0
assign (resid 7 and name HB#) (resid 7 and name HN) 3.4 1.8 0.6
assign (resid 6 and name HA) (resid 7 and name HN) 3.4 1.8 0
assign (resid 8 and name HB#) (resid 8 and name HN) 3.4 1.8 0.6
assign (resid 1 and name HA) (resid 8 and name HN) 5 3.4 0
assign (resid 8 and name HA) (resid 8 and name HN) 3.4 1.8 0
assign (resid 7 and name HB#) (resid 8 and name HN) 3.4 1.8 1
assign (resid 9 and name HN) (resid 8 and name HN) 5 3.4 0
assign (resid 16 and name HN) (resid 8 and name HN) 5 3.4 0
assign (resid 7 and name HA) (resid 8 and name HN) 3.4 1.8 0
assign (resid 9 and name HG#) (resid 9 and name HN) 3.4 3.4 1
assign (resid 9 and name HB#) (resid 9 and name HN) 3.4 3.4 0.6
assign (resid 8 and name HA) (resid 9 and name HN) 3.4 1.8 0
assign (resid 11 and name HA) (resid 12 and name HN) 3.4 1.8 0
assign (resid 12 and name HA#) (resid 12 and name HN) 3.4 1.8 0.6
assign (resid 13 and name HA) (resid 13 and name HN) 3.4 1.8 0
assign (resid 13 and name HB#) (resid 13 and name HN) 3.4 1.8 0.6
assign (resid 12 and name HA#) (resid 13 and name HN) 3.4 1.8 1
assign (resid 12 and name HN) (resid 13 and name HN) 3.4 1.8 0
assign (resid 15 and name HB#) (resid 14 and name HN) 5 3.4 1
assign (resid 14 and name HB#) (resid 14 and name HN) 3.4 1.8 0.6
assign (resid 14 and name HA) (resid 14 and name HN) 3.4 1.8 0
assign (resid 13 and name HB#) (resid 14 and name HN) 3.4 1.8 1
assign (resid 16 and name HG) (resid 16 and name HN) 5 1.8 0
assign (resid 15 and name HG#) (resid 16 and name HN) 3.4 1.8 1
assign (resid 16 and name HD##) (resid 16 and name HN) 3.4 1.8 1.7
assign (resid 16 and name HB#) (resid 16 and name HN) 3.4 1.8 0.6
assign (resid 15 and name HA) (resid 16 and name HN) 3.4 1.8 0
assign (resid 16 and name HA) (resid 16 and name HN) 3.4 1.8 0
assign (resid 1 and name HA) (resid 1 and name HB#) 3.4 1.8 0.6
assign (resid 2 and name HA) (resid 3 and name HD#) 3.4 1 1
assign (resid 6 and name HA) (resid 6 and name HG#) 3.4 1.8 1
assign (resid 6 and name HB#) (resid 6 and name HG#) 3.4 1 3
assign (resid 1 and name HA) (resid 7 and name HA) 5 1.8 0
assign (resid 8 and name HA) (resid 8 and name HB#) 3.4 1 0.6
assign (resid 15 and name HD#) (resid 15 and name HG#) 3.4 1 0.6
assign (resid 15 and name HA) (resid 15 and name HG#) 3.4 1 1
assign (resid 14 and name HA) (resid 15 and name HD#) 3.4 1 1
assign (resid 14 and name HA) (resid 14 and name HB#) 3.4 1 0.6
assign (resid 16 and name HA) (resid 16 and name HB) 3.4 1 0.6
# Restraints file 2: dihe.txt
assign (resid   6 and name C   ) (resid   7 and name N    )
       (resid   7 and name CA   ) (resid   7 and name C    )    1.0  -160.0   20.0 2
assign (resid   7 and name C   ) (resid   8 and name N    )
       (resid   8 and name CA   ) (resid   8 and name C    )    1.0  -160.0   20.0 2
assign (resid   8 and name C   ) (resid   9 and name N    )
       (resid   9 and name CA   ) (resid   9 and name C    )    1.0  -160.0   20.0 2
assign (resid   16 and name C   ) (resid   1 and name N    )
       (resid   1 and name CA   ) (resid   1 and name C    )    1.0  -160.0   10.0 2
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H    CYS   1           HN       CYS   1  -3.974   2.127  -0.254
    2    HA   CYS   1           HA       CYS   1  -1.447   3.487   0.166
    3    HB2  CYS   1           HB2      CYS   1  -1.718   2.897  -2.342
    4    HB3  CYS   1           HB1      CYS   1  -2.938   4.167  -2.345
    5    H    PHE   2           HN       PHE   2  -1.601   5.535   0.874
    6    HA   PHE   2           HA       PHE   2  -4.179   6.363   1.872
    7    HB2  PHE   2           HB2      PHE   2  -1.414   7.562   2.092
    8    HB3  PHE   2           HB1      PHE   2  -2.839   8.304   2.812
    9    HD1  PHE   2           HD1      PHE   2  -0.486   5.511   2.980
   10    HD2  PHE   2           HD2      PHE   2  -3.915   7.318   4.739
   11    HE1  PHE   2           HE1      PHE   2  -0.198   4.104   4.979
   12    HE2  PHE   2           HE2      PHE   2  -3.633   5.914   6.740
   13    HZ   PHE   2           HZ       PHE   2  -1.773   4.305   6.862
   14    HA   PRO   3           HA       PRO   3  -5.359   9.279  -1.300
   15    HB2  PRO   3           HB2      PRO   3  -6.053  11.322   0.712
   16    HB3  PRO   3           HB1      PRO   3  -7.105  10.479  -0.441
   17    HG2  PRO   3           HG2      PRO   3  -7.224   9.962   2.164
   18    HG3  PRO   3           HG1      PRO   3  -7.435   8.684   0.949
   19    HD2  PRO   3           HD2      PRO   3  -5.024   9.329   2.605
   20    HD3  PRO   3           HD1      PRO   3  -5.731   7.750   2.204
   21    H    ASP   4           HN       ASP   4  -3.299  10.494   1.235
   22    HA   ASP   4           HA       ASP   4  -1.964  12.257  -0.699
   23    HB2  ASP   4           HB2      ASP   4  -2.782  12.970   2.123
   24    HB3  ASP   4           HB1      ASP   4  -1.581  13.882   1.215
   25    H    GLY   5           HN       GLY   5   0.086  11.712  -0.910
   26    HA2  GLY   5           HA2      GLY   5   2.260  11.605   0.287
   27    HA3  GLY   5           HA1      GLY   5   1.476  10.491   1.396
   28    H    ARG   6           HN       ARG   6   2.298   8.544   1.123
   29    HA   ARG   6           HA       ARG   6   2.489   7.441  -1.597
   30    HB2  ARG   6           HB2      ARG   6   4.589   7.363   0.573
   31    HB3  ARG   6           HB1      ARG   6   4.581   6.212  -0.757
   32    HG2  ARG   6           HG2      ARG   6   4.796   8.041  -2.356
   33    HG3  ARG   6           HG1      ARG   6   4.776   9.206  -1.031
   34    HD2  ARG   6           HD2      ARG   6   6.816   8.198  -0.123
   35    HD3  ARG   6           HD1      ARG   6   6.836   7.044  -1.457
   36    HE   ARG   6           HE       ARG   6   6.783   9.576  -2.585
   37   HH11  ARG   6          HH11      ARG   6   8.985   7.735  -0.562
   38   HH12  ARG   6          HH12      ARG   6  10.394   8.547  -1.157
   39   HH21  ARG   6          HH21      ARG   6   8.641  10.626  -3.350
   40   HH22  ARG   6          HH22      ARG   6  10.197  10.183  -2.733
   41    H    CYS   7           HN       CYS   7   3.369   4.881  -0.914
   42    HA   CYS   7           HA       CYS   7   1.449   3.832   1.022
   43    HB2  CYS   7           HB2      CYS   7   1.660   2.046  -1.244
   44    HB3  CYS   7           HB1      CYS   7   0.217   2.737  -0.532
   45    H    LYS   8           HN       LYS   8   1.969   1.755   1.859
   46    HA   LYS   8           HA       LYS   8   4.491   0.515   1.143
   47    HB2  LYS   8           HB2      LYS   8   4.085   1.908   3.785
   48    HB3  LYS   8           HB1      LYS   8   5.187   0.547   3.639
   49    HG2  LYS   8           HG2      LYS   8   6.462   1.767   1.942
   50    HG3  LYS   8           HG1      LYS   8   5.357   3.134   2.103
   51    HD2  LYS   8           HD2      LYS   8   5.998   3.372   4.454
   52    HD3  LYS   8           HD1      LYS   8   7.098   2.000   4.294
   53    HE2  LYS   8           HE2      LYS   8   8.381   3.231   2.611
   54    HE3  LYS   8           HE1      LYS   8   7.282   4.600   2.774
   55    HZ1  LYS   8           HZ1      LYS   8   9.298   4.933   4.055
   56    HZ2  LYS   8           HZ2      LYS   8   9.017   3.509   4.924
   57    HZ3  LYS   8           HZ3      LYS   8   7.959   4.819   5.086
   58    H    ARG   9           HN       ARG   9   3.757  -1.475   0.830
   59    HA   ARG   9           HA       ARG   9   2.588  -2.922   3.068
   60    HB2  ARG   9           HB2      ARG   9   1.223  -2.577   0.403
   61    HB3  ARG   9           HB1      ARG   9   0.908  -3.981   1.411
   62    HG2  ARG   9           HG2      ARG   9   0.634  -1.258   2.596
   63    HG3  ARG   9           HG1      ARG   9  -0.635  -1.873   1.536
   64    HD2  ARG   9           HD2      ARG   9  -0.863  -3.851   2.968
   65    HD3  ARG   9           HD1      ARG   9   0.398  -3.223   4.030
   66    HE   ARG   9           HE       ARG   9  -1.545  -1.257   3.858
   67   HH11  ARG   9          HH11      ARG   9  -1.376  -4.560   5.040
   68   HH12  ARG   9          HH12      ARG   9  -2.607  -4.318   6.234
   69   HH21  ARG   9          HH21      ARG   9  -3.154  -0.963   5.427
   70   HH22  ARG   9          HH22      ARG   9  -3.613  -2.282   6.451
   71    HA   PRO  10           HA       PRO  10   5.200  -6.177   1.469
   72    HB2  PRO  10           HB2      PRO  10   3.340  -8.288   2.274
   73    HB3  PRO  10           HB1      PRO  10   4.903  -7.857   2.987
   74    HG2  PRO  10           HG2      PRO  10   2.578  -7.461   4.274
   75    HG3  PRO  10           HG1      PRO  10   3.982  -6.394   4.478
   76    HD2  PRO  10           HD2      PRO  10   1.533  -5.983   2.803
   77    HD3  PRO  10           HD1      PRO  10   2.388  -4.836   3.855
   78    HA   PRO  11           HA       PRO  11   3.687  -7.619  -2.494
   79    HB2  PRO  11           HB2      PRO  11   5.139 -10.163  -2.324
   80    HB3  PRO  11           HB1      PRO  11   5.447  -8.771  -3.378
   81    HG2  PRO  11           HG2      PRO  11   7.113  -9.442  -1.389
   82    HG3  PRO  11           HG1      PRO  11   6.841  -7.757  -1.877
   83    HD2  PRO  11           HD2      PRO  11   5.686  -9.255   0.446
   84    HD3  PRO  11           HD1      PRO  11   6.335  -7.604   0.377
   85    H    GLY  12           HN       GLY  12   1.717  -8.337  -2.920
   86    HA2  GLY  12           HA2      GLY  12   0.930 -11.036  -2.124
   87    HA3  GLY  12           HA1      GLY  12  -0.057  -9.711  -1.523
   88    H    PHE  13           HN       PHE  13  -1.639  -8.931  -2.771
   89    HA   PHE  13           HA       PHE  13  -1.626  -9.491  -5.649
   90    HB2  PHE  13           HB2      PHE  13  -3.851 -10.236  -3.744
   91    HB3  PHE  13           HB1      PHE  13  -4.070 -10.133  -5.487
   92    HD1  PHE  13           HD1      PHE  13  -2.549 -12.019  -2.748
   93    HD2  PHE  13           HD2      PHE  13  -3.108 -11.787  -6.960
   94    HE1  PHE  13           HE1      PHE  13  -1.773 -14.343  -2.974
   95    HE2  PHE  13           HE2      PHE  13  -2.333 -14.111  -7.194
   96    HZ   PHE  13           HZ       PHE  13  -1.665 -15.392  -5.199
   97    H    SER  14           HN       SER  14  -3.124  -7.751  -2.947
   98    HA   SER  14           HA       SER  14  -3.593  -5.473  -4.724
   99    HB2  SER  14           HB2      SER  14  -5.655  -6.581  -2.806
  100    HB3  SER  14           HB1      SER  14  -5.814  -5.076  -3.711
  101    HG   SER  14           HG       SER  14  -6.239  -7.632  -4.520
  102    HA   PRO  15           HA       PRO  15  -1.578  -3.944  -0.866
  103    HB2  PRO  15           HB2      PRO  15  -0.212  -1.875  -1.932
  104    HB3  PRO  15           HB1      PRO  15   0.349  -3.550  -2.092
  105    HG2  PRO  15           HG2      PRO  15  -1.068  -1.838  -4.074
  106    HG3  PRO  15           HG1      PRO  15   0.293  -2.954  -4.311
  107    HD2  PRO  15           HD2      PRO  15  -2.311  -3.603  -4.892
  108    HD3  PRO  15           HD1      PRO  15  -1.071  -4.798  -4.466
  109    H    LEU  16           HN       LEU  16  -1.407  -1.537   0.016
  110    HA   LEU  16           HA       LEU  16  -3.955  -0.168  -0.561
  111    HB2  LEU  16           HB2      LEU  16  -3.674  -1.492   1.671
  112    HB3  LEU  16           HB1      LEU  16  -2.671  -0.140   2.152
  113    HG   LEU  16           HG       LEU  16  -4.788   1.273   1.445
  114   HD11  LEU  16          HD11      LEU  16  -6.070  -0.606   0.573
  115   HD12  LEU  16          HD12      LEU  16  -6.875   0.107   1.970
  116   HD13  LEU  16          HD13      LEU  16  -5.987  -1.407   2.143
  117   HD21  LEU  16          HD21      LEU  16  -5.566   1.149   3.768
  118   HD22  LEU  16          HD22      LEU  16  -3.809   1.238   3.666
  119   HD23  LEU  16          HD23      LEU  16  -4.594  -0.302   4.008
  Start of MODEL    2
    1    H    CYS   1           HN       CYS   1  -3.738   2.324  -1.026
    2    HA   CYS   1           HA       CYS   1  -1.531   3.255   0.626
    3    HB2  CYS   1           HB2      CYS   1  -1.831   4.132  -2.268
    4    HB3  CYS   1           HB1      CYS   1  -0.737   4.865  -1.104
    5    H    PHE   2           HN       PHE   2  -1.645   5.577   1.070
    6    HA   PHE   2           HA       PHE   2  -4.449   6.447   1.173
    7    HB2  PHE   2           HB2      PHE   2  -2.070   7.184   2.877
    8    HB3  PHE   2           HB1      PHE   2  -3.625   7.996   2.993
    9    HD1  PHE   2           HD1      PHE   2  -5.538   6.887   3.969
   10    HD2  PHE   2           HD2      PHE   2  -1.782   4.911   3.660
   11    HE1  PHE   2           HE1      PHE   2  -6.316   5.170   5.549
   12    HE2  PHE   2           HE2      PHE   2  -2.554   3.188   5.239
   13    HZ   PHE   2           HZ       PHE   2  -4.823   3.317   6.186
   14    HA   PRO   3           HA       PRO   3  -3.385   9.831  -1.581
   15    HB2  PRO   3           HB2      PRO   3  -5.751  11.316  -0.868
   16    HB3  PRO   3           HB1      PRO   3  -5.485  10.313  -2.303
   17    HG2  PRO   3           HG2      PRO   3  -7.275   9.711  -0.331
   18    HG3  PRO   3           HG1      PRO   3  -6.527   8.515  -1.408
   19    HD2  PRO   3           HD2      PRO   3  -5.813   9.226   1.408
   20    HD3  PRO   3           HD1      PRO   3  -5.878   7.636   0.620
   21    H    ASP   4           HN       ASP   4  -3.064  10.064   1.636
   22    HA   ASP   4           HA       ASP   4  -2.973  12.948   1.922
   23    HB2  ASP   4           HB2      ASP   4  -3.643  11.147   3.711
   24    HB3  ASP   4           HB1      ASP   4  -1.908  11.059   3.985
   25    H    GLY   5           HN       GLY   5  -0.780  10.349   1.282
   26    HA2  GLY   5           HA2      GLY   5   1.280  11.405   0.108
   27    HA3  GLY   5           HA1      GLY   5   1.558  12.084   1.703
   28    H    ARG   6           HN       ARG   6   0.264   8.865   1.176
   29    HA   ARG   6           HA       ARG   6   2.852   7.665   1.878
   30    HB2  ARG   6           HB2      ARG   6   0.213   7.196   3.257
   31    HB3  ARG   6           HB1      ARG   6   1.525   6.030   3.338
   32    HG2  ARG   6           HG2      ARG   6   2.965   7.725   4.356
   33    HG3  ARG   6           HG1      ARG   6   1.642   8.890   4.280
   34    HD2  ARG   6           HD2      ARG   6   0.298   7.455   5.736
   35    HD3  ARG   6           HD1      ARG   6   1.620   6.291   5.811
   36    HE   ARG   6           HE       ARG   6   2.574   8.797   6.635
   37   HH11  ARG   6          HH11      ARG   6   0.406   6.287   7.791
   38   HH12  ARG   6          HH12      ARG   6   0.670   6.668   9.460
   39   HH21  ARG   6          HH21      ARG   6   2.905   9.277   8.825
   40   HH22  ARG   6          HH22      ARG   6   2.083   8.360  10.044
   41    H    CYS   7           HN       CYS   7   3.102   5.470   1.238
   42    HA   CYS   7           HA       CYS   7   1.193   4.009  -0.182
   43    HB2  CYS   7           HB2      CYS   7   1.896   5.899  -1.843
   44    HB3  CYS   7           HB1      CYS   7   3.329   4.900  -2.062
   45    H    LYS   8           HN       LYS   8   1.686   1.954  -0.090
   46    HA   LYS   8           HA       LYS   8   4.488   1.097  -0.052
   47    HB2  LYS   8           HB2      LYS   8   2.425   0.458   2.061
   48    HB3  LYS   8           HB1      LYS   8   3.858  -0.531   1.818
   49    HG2  LYS   8           HG2      LYS   8   5.276   1.399   2.300
   50    HG3  LYS   8           HG1      LYS   8   3.839   2.395   2.537
   51    HD2  LYS   8           HD2      LYS   8   3.152   0.957   4.396
   52    HD3  LYS   8           HD1      LYS   8   4.589  -0.040   4.155
   53    HE2  LYS   8           HE2      LYS   8   6.008   1.892   4.645
   54    HE3  LYS   8           HE1      LYS   8   4.572   2.887   4.884
   55    HZ1  LYS   8           HZ1      LYS   8   5.479   2.123   6.986
   56    HZ2  LYS   8           HZ2      LYS   8   5.316   0.512   6.503
   57    HZ3  LYS   8           HZ3      LYS   8   3.940   1.467   6.734
   58    H    ARG   9           HN       ARG   9   4.745  -1.220  -0.493
   59    HA   ARG   9           HA       ARG   9   2.413  -2.525  -1.693
   60    HB2  ARG   9           HB2      ARG   9   5.020  -1.983  -3.123
   61    HB3  ARG   9           HB1      ARG   9   3.875  -3.203  -3.660
   62    HG2  ARG   9           HG2      ARG   9   2.167  -1.457  -3.931
   63    HG3  ARG   9           HG1      ARG   9   3.351  -0.245  -3.437
   64    HD2  ARG   9           HD2      ARG   9   4.761  -0.847  -5.341
   65    HD3  ARG   9           HD1      ARG   9   3.583  -2.062  -5.833
   66    HE   ARG   9           HE       ARG   9   2.305   0.433  -5.641
   67   HH11  ARG   9          HH11      ARG   9   4.643  -1.202  -7.691
   68   HH12  ARG   9          HH12      ARG   9   4.232  -0.274  -9.095
   69   HH21  ARG   9          HH21      ARG   9   1.782   1.633  -7.492
   70   HH22  ARG   9          HH22      ARG   9   2.613   1.329  -8.982
   71    HA   PRO  10           HA       PRO  10   4.891  -5.576   0.767
   72    HB2  PRO  10           HB2      PRO  10   2.367  -6.516   1.858
   73    HB3  PRO  10           HB1      PRO  10   3.714  -5.743   2.712
   74    HG2  PRO  10           HG2      PRO  10   1.293  -4.568   2.392
   75    HG3  PRO  10           HG1      PRO  10   2.812  -3.662   2.546
   76    HD2  PRO  10           HD2      PRO  10   1.261  -4.331   0.074
   77    HD3  PRO  10           HD1      PRO  10   2.064  -2.810   0.529
   78    HA   PRO  11           HA       PRO  11   3.915  -9.078  -1.855
   79    HB2  PRO  11           HB2      PRO  11   4.617 -11.071   0.148
   80    HB3  PRO  11           HB1      PRO  11   5.543 -10.558  -1.273
   81    HG2  PRO  11           HG2      PRO  11   6.336 -10.050   1.262
   82    HG3  PRO  11           HG1      PRO  11   6.733  -9.002  -0.115
   83    HD2  PRO  11           HD2      PRO  11   4.604  -8.658   1.964
   84    HD3  PRO  11           HD1      PRO  11   5.708  -7.454   1.267
   85    H    GLY  12           HN       GLY  12   1.878  -9.578  -2.341
   86    HA2  GLY  12           HA2      GLY  12   0.406 -11.485  -0.790
   87    HA3  GLY  12           HA1      GLY  12  -0.291  -9.874  -0.693
   88    H    PHE  13           HN       PHE  13  -1.532  -9.141  -2.315
   89    HA   PHE  13           HA       PHE  13  -1.525 -10.481  -4.908
   90    HB2  PHE  13           HB2      PHE  13  -3.952 -10.343  -3.109
   91    HB3  PHE  13           HB1      PHE  13  -4.058 -10.640  -4.839
   92    HD1  PHE  13           HD1      PHE  13  -3.214 -12.733  -5.793
   93    HD2  PHE  13           HD2      PHE  13  -3.193 -12.030  -1.595
   94    HE1  PHE  13           HE1      PHE  13  -2.879 -15.137  -5.396
   95    HE2  PHE  13           HE2      PHE  13  -2.856 -14.434  -1.191
   96    HZ   PHE  13           HZ       PHE  13  -2.698 -15.991  -3.093
   97    H    SER  14           HN       SER  14  -3.034  -7.948  -2.906
   98    HA   SER  14           HA       SER  14  -2.711  -6.038  -5.075
   99    HB2  SER  14           HB2      SER  14  -5.381  -6.526  -3.731
  100    HB3  SER  14           HB1      SER  14  -5.033  -5.205  -4.847
  101    HG   SER  14           HG       SER  14  -6.045  -7.137  -5.771
  102    HA   PRO  15           HA       PRO  15  -1.707  -3.939  -1.156
  103    HB2  PRO  15           HB2      PRO  15  -0.050  -2.047  -2.065
  104    HB3  PRO  15           HB1      PRO  15   0.436  -3.752  -2.028
  105    HG2  PRO  15           HG2      PRO  15  -0.442  -2.092  -4.330
  106    HG3  PRO  15           HG1      PRO  15   0.828  -3.328  -4.244
  107    HD2  PRO  15           HD2      PRO  15  -1.748  -3.753  -5.227
  108    HD3  PRO  15           HD1      PRO  15  -0.634  -5.025  -4.691
  109    H    LEU  16           HN       LEU  16  -1.678  -1.551  -0.420
  110    HA   LEU  16           HA       LEU  16  -3.687   0.090  -1.781
  111    HB2  LEU  16           HB2      LEU  16  -3.841  -0.779   1.110
  112    HB3  LEU  16           HB1      LEU  16  -4.787   0.535   0.442
  113    HG   LEU  16           HG       LEU  16  -4.981  -2.160  -0.837
  114   HD11  LEU  16          HD11      LEU  16  -6.759  -2.782   0.733
  115   HD12  LEU  16          HD12      LEU  16  -6.386  -1.360   1.708
  116   HD13  LEU  16          HD13      LEU  16  -5.193  -2.647   1.532
  117   HD21  LEU  16          HD21      LEU  16  -7.281  -1.421  -1.237
  118   HD22  LEU  16          HD22      LEU  16  -6.115  -0.252  -1.857
  119   HD23  LEU  16          HD23      LEU  16  -6.961   0.066  -0.343
  Start of MODEL    3
    1    H    CYS   1           HN       CYS   1  -3.822   2.029  -0.222
    2    HA   CYS   1           HA       CYS   1  -1.363   3.536  -0.641
    3    HB2  CYS   1           HB2      CYS   1  -3.356   2.986  -2.781
    4    HB3  CYS   1           HB1      CYS   1  -2.733   4.631  -2.671
    5    H    PHE   2           HN       PHE   2  -1.489   5.482   0.282
    6    HA   PHE   2           HA       PHE   2  -3.969   6.274   1.546
    7    HB2  PHE   2           HB2      PHE   2  -1.169   7.391   1.658
    8    HB3  PHE   2           HB1      PHE   2  -2.525   8.132   2.499
    9    HD1  PHE   2           HD1      PHE   2  -3.523   7.069   4.430
   10    HD2  PHE   2           HD2      PHE   2  -0.247   5.277   2.387
   11    HE1  PHE   2           HE1      PHE   2  -3.167   5.555   6.337
   12    HE2  PHE   2           HE2      PHE   2   0.114   3.759   4.289
   13    HZ   PHE   2           HZ       PHE   2  -1.347   3.897   6.267
   14    HA   PRO   3           HA       PRO   3  -5.104   9.408  -1.437
   15    HB2  PRO   3           HB2      PRO   3  -6.270  11.150   0.571
   16    HB3  PRO   3           HB1      PRO   3  -7.095  10.091  -0.584
   17    HG2  PRO   3           HG2      PRO   3  -7.116   9.660   2.087
   18    HG3  PRO   3           HG1      PRO   3  -7.240   8.361   0.884
   19    HD2  PRO   3           HD2      PRO   3  -4.850   9.253   2.452
   20    HD3  PRO   3           HD1      PRO   3  -5.406   7.610   2.075
   21    H    ASP   4           HN       ASP   4  -3.011  10.198   1.140
   22    HA   ASP   4           HA       ASP   4  -2.558  12.944   0.277
   23    HB2  ASP   4           HB2      ASP   4  -1.430  11.301   2.543
   24    HB3  ASP   4           HB1      ASP   4  -0.861  12.924   2.165
   25    H    GLY   5           HN       GLY   5  -1.247   9.821  -0.245
   26    HA2  GLY   5           HA2      GLY   5   0.216   9.772  -2.286
   27    HA3  GLY   5           HA1      GLY   5   1.177  10.993  -1.466
   28    H    ARG   6           HN       ARG   6   2.174   8.545  -2.434
   29    HA   ARG   6           HA       ARG   6   3.593   6.867  -1.895
   30    HB2  ARG   6           HB2      ARG   6   3.572   8.245   0.788
   31    HB3  ARG   6           HB1      ARG   6   4.563   6.832   0.456
   32    HG2  ARG   6           HG2      ARG   6   5.685   8.061  -1.350
   33    HG3  ARG   6           HG1      ARG   6   4.710   9.481  -0.973
   34    HD2  ARG   6           HD2      ARG   6   6.478   8.134   1.055
   35    HD3  ARG   6           HD1      ARG   6   7.055   9.419  -0.004
   36    HE   ARG   6           HE       ARG   6   4.723  10.299   1.279
   37   HH11  ARG   6          HH11      ARG   6   8.051   9.533   2.103
   38   HH12  ARG   6          HH12      ARG   6   8.091  10.628   3.444
   39   HH21  ARG   6          HH21      ARG   6   4.800  11.726   3.040
   40   HH22  ARG   6          HH22      ARG   6   6.252  11.867   3.974
   41    H    CYS   7           HN       CYS   7   3.559   4.761  -1.298
   42    HA   CYS   7           HA       CYS   7   1.503   3.812   0.553
   43    HB2  CYS   7           HB2      CYS   7   1.951   2.381  -2.054
   44    HB3  CYS   7           HB1      CYS   7   0.561   2.302  -0.979
   45    H    LYS   8           HN       LYS   8   2.041   1.935   1.654
   46    HA   LYS   8           HA       LYS   8   4.508   0.537   0.964
   47    HB2  LYS   8           HB2      LYS   8   4.084   2.013   3.558
   48    HB3  LYS   8           HB1      LYS   8   5.208   0.670   3.432
   49    HG2  LYS   8           HG2      LYS   8   6.459   1.875   1.714
   50    HG3  LYS   8           HG1      LYS   8   5.327   3.223   1.838
   51    HD2  LYS   8           HD2      LYS   8   5.961   3.533   4.184
   52    HD3  LYS   8           HD1      LYS   8   7.092   2.185   4.056
   53    HE2  LYS   8           HE2      LYS   8   8.345   3.404   2.343
   54    HE3  LYS   8           HE1      LYS   8   7.213   4.750   2.473
   55    HZ1  LYS   8           HZ1      LYS   8   9.224   5.158   3.744
   56    HZ2  LYS   8           HZ2      LYS   8   8.970   3.753   4.652
   57    HZ3  LYS   8           HZ3      LYS   8   7.886   5.047   4.774
   58    H    ARG   9           HN       ARG   9   3.799  -1.464   0.753
   59    HA   ARG   9           HA       ARG   9   2.606  -2.820   3.023
   60    HB2  ARG   9           HB2      ARG   9   1.189  -2.486   0.388
   61    HB3  ARG   9           HB1      ARG   9   0.899  -3.906   1.382
   62    HG2  ARG   9           HG2      ARG   9   0.634  -1.187   2.588
   63    HG3  ARG   9           HG1      ARG   9  -0.658  -1.828   1.575
   64    HD2  ARG   9           HD2      ARG   9  -0.863  -3.770   3.019
   65    HD3  ARG   9           HD1      ARG   9   0.487  -3.207   4.002
   66    HE   ARG   9           HE       ARG   9  -1.429  -1.188   3.976
   67   HH11  ARG   9          HH11      ARG   9  -1.162  -4.477   5.181
   68   HH12  ARG   9          HH12      ARG   9  -2.272  -4.212   6.484
   69   HH21  ARG   9          HH21      ARG   9  -2.876  -0.863   5.692
   70   HH22  ARG   9          HH22      ARG   9  -3.240  -2.168   6.772
   71    HA   PRO  10           HA       PRO  10   5.144  -6.155   1.472
   72    HB2  PRO  10           HB2      PRO  10   3.247  -8.216   2.323
   73    HB3  PRO  10           HB1      PRO  10   4.827  -7.808   3.014
   74    HG2  PRO  10           HG2      PRO  10   2.529  -7.340   4.321
   75    HG3  PRO  10           HG1      PRO  10   3.955  -6.296   4.486
   76    HD2  PRO  10           HD2      PRO  10   1.493  -5.871   2.835
   77    HD3  PRO  10           HD1      PRO  10   2.382  -4.720   3.855
   78    HA   PRO  11           HA       PRO  11   3.564  -7.635  -2.450
   79    HB2  PRO  11           HB2      PRO  11   5.043 -10.156  -2.314
   80    HB3  PRO  11           HB1      PRO  11   5.342  -8.747  -3.345
   81    HG2  PRO  11           HG2      PRO  11   7.009  -9.453  -1.362
   82    HG3  PRO  11           HG1      PRO  11   6.753  -7.764  -1.845
   83    HD2  PRO  11           HD2      PRO  11   5.587  -9.256   0.476
   84    HD3  PRO  11           HD1      PRO  11   6.248  -7.610   0.409
   85    H    GLY  12           HN       GLY  12   1.645  -8.457  -2.936
   86    HA2  GLY  12           HA2      GLY  12   0.909 -11.145  -2.113
   87    HA3  GLY  12           HA1      GLY  12  -0.084  -9.855  -1.454
   88    H    PHE  13           HN       PHE  13  -1.702  -9.049  -2.645
   89    HA   PHE  13           HA       PHE  13  -1.780  -9.569  -5.530
   90    HB2  PHE  13           HB2      PHE  13  -3.941 -10.359  -3.568
   91    HB3  PHE  13           HB1      PHE  13  -4.206 -10.243  -5.303
   92    HD1  PHE  13           HD1      PHE  13  -3.250 -11.868  -6.821
   93    HD2  PHE  13           HD2      PHE  13  -2.612 -12.143  -2.622
   94    HE1  PHE  13           HE1      PHE  13  -2.460 -14.181  -7.097
   95    HE2  PHE  13           HE2      PHE  13  -1.819 -14.457  -2.891
   96    HZ   PHE  13           HZ       PHE  13  -1.741 -15.479  -5.130
   97    H    SER  14           HN       SER  14  -3.140  -7.860  -2.747
   98    HA   SER  14           HA       SER  14  -3.784  -5.601  -4.500
   99    HB2  SER  14           HB2      SER  14  -5.619  -6.698  -2.359
  100    HB3  SER  14           HB1      SER  14  -5.890  -5.209  -3.263
  101    HG   SER  14           HG       SER  14  -5.442  -7.094  -5.039
  102    HA   PRO  15           HA       PRO  15  -1.394  -4.001  -0.892
  103    HB2  PRO  15           HB2      PRO  15  -0.107  -1.983  -2.135
  104    HB3  PRO  15           HB1      PRO  15   0.415  -3.670  -2.304
  105    HG2  PRO  15           HG2      PRO  15  -1.155  -1.983  -4.189
  106    HG3  PRO  15           HG1      PRO  15   0.157  -3.131  -4.523
  107    HD2  PRO  15           HD2      PRO  15  -2.506  -3.741  -4.834
  108    HD3  PRO  15           HD1      PRO  15  -1.248  -4.949  -4.511
  109    H    LEU  16           HN       LEU  16  -1.115  -1.584  -0.093
  110    HA   LEU  16           HA       LEU  16  -3.751  -0.288  -0.333
  111    HB2  LEU  16           HB2      LEU  16  -2.910  -1.314   1.907
  112    HB3  LEU  16           HB1      LEU  16  -1.885   0.103   1.988
  113    HG   LEU  16           HG       LEU  16  -4.768   0.613   1.527
  114   HD11  LEU  16          HD11      LEU  16  -3.709  -0.363   4.176
  115   HD12  LEU  16          HD12      LEU  16  -4.889  -1.186   3.155
  116   HD13  LEU  16          HD13      LEU  16  -5.296   0.356   3.907
  117   HD21  LEU  16          HD21      LEU  16  -3.142   2.427   1.755
  118   HD22  LEU  16          HD22      LEU  16  -2.696   1.830   3.353
  119   HD23  LEU  16          HD23      LEU  16  -4.320   2.453   3.066
  Start of MODEL    4
    1    H    CYS   1           HN       CYS   1  -4.070   2.071  -0.235
    2    HA   CYS   1           HA       CYS   1  -1.543   3.506  -0.424
    3    HB2  CYS   1           HB2      CYS   1  -2.719   2.405  -2.743
    4    HB3  CYS   1           HB1      CYS   1  -3.075   4.127  -2.789
    5    H    PHE   2           HN       PHE   2  -1.814   5.408   0.512
    6    HA   PHE   2           HA       PHE   2  -4.520   6.481   0.812
    7    HB2  PHE   2           HB2      PHE   2  -1.952   7.051   2.292
    8    HB3  PHE   2           HB1      PHE   2  -3.428   7.975   2.541
    9    HD1  PHE   2           HD1      PHE   2  -5.320   7.013   3.693
   10    HD2  PHE   2           HD2      PHE   2  -1.768   4.757   3.055
   11    HE1  PHE   2           HE1      PHE   2  -6.080   5.356   5.344
   12    HE2  PHE   2           HE2      PHE   2  -2.522   3.096   4.704
   13    HZ   PHE   2           HZ       PHE   2  -4.681   3.393   5.852
   14    HA   PRO   3           HA       PRO   3  -3.524   9.819  -2.014
   15    HB2  PRO   3           HB2      PRO   3  -5.631  11.503  -0.995
   16    HB3  PRO   3           HB1      PRO   3  -5.646  10.500  -2.453
   17    HG2  PRO   3           HG2      PRO   3  -7.213  10.035  -0.265
   18    HG3  PRO   3           HG1      PRO   3  -6.722   8.790  -1.429
   19    HD2  PRO   3           HD2      PRO   3  -5.583   9.404   1.267
   20    HD3  PRO   3           HD1      PRO   3  -5.897   7.834   0.500
   21    H    ASP   4           HN       ASP   4  -2.943  10.053   1.229
   22    HA   ASP   4           HA       ASP   4  -2.421  12.906   1.351
   23    HB2  ASP   4           HB2      ASP   4  -3.301  11.347   3.265
   24    HB3  ASP   4           HB1      ASP   4  -1.594  10.984   3.494
   25    H    GLY   5           HN       GLY   5  -0.620   9.906   1.192
   26    HA2  GLY   5           HA2      GLY   5   1.491  10.243  -0.207
   27    HA3  GLY   5           HA1      GLY   5   1.904  11.425   1.023
   28    H    ARG   6           HN       ARG   6   0.276   8.462   1.885
   29    HA   ARG   6           HA       ARG   6   2.802   7.317   2.855
   30    HB2  ARG   6           HB2      ARG   6   0.254   7.704   4.429
   31    HB3  ARG   6           HB1      ARG   6   1.480   6.538   4.904
   32    HG2  ARG   6           HG2      ARG   6   3.120   8.334   5.115
   33    HG3  ARG   6           HG1      ARG   6   1.903   9.509   4.616
   34    HD2  ARG   6           HD2      ARG   6   1.567   7.720   7.015
   35    HD3  ARG   6           HD1      ARG   6   2.322   9.311   7.107
   36    HE   ARG   6           HE       ARG   6  -0.185   9.534   5.841
   37   HH11  ARG   6          HH11      ARG   6   1.154   8.950   9.036
   38   HH12  ARG   6          HH12      ARG   6  -0.222   9.607   9.857
   39   HH21  ARG   6          HH21      ARG   6  -1.974  10.388   6.939
   40   HH22  ARG   6          HH22      ARG   6  -1.991  10.420   8.671
   41    H    CYS   7           HN       CYS   7   2.762   5.923   1.083
   42    HA   CYS   7           HA       CYS   7   0.971   3.640   1.373
   43    HB2  CYS   7           HB2      CYS   7   0.049   5.023  -0.431
   44    HB3  CYS   7           HB1      CYS   7   1.614   5.058  -1.227
   45    H    LYS   8           HN       LYS   8   1.772   1.681   0.604
   46    HA   LYS   8           HA       LYS   8   4.565   1.555  -0.263
   47    HB2  LYS   8           HB2      LYS   8   3.412   0.139   2.147
   48    HB3  LYS   8           HB1      LYS   8   4.876  -0.407   1.344
   49    HG2  LYS   8           HG2      LYS   8   5.940   1.743   1.818
   50    HG3  LYS   8           HG1      LYS   8   4.469   2.289   2.626
   51    HD2  LYS   8           HD2      LYS   8   4.699   0.490   4.265
   52    HD3  LYS   8           HD1      LYS   8   6.161  -0.072   3.451
   53    HE2  LYS   8           HE2      LYS   8   7.242   2.074   3.925
   54    HE3  LYS   8           HE1      LYS   8   5.782   2.628   4.744
   55    HZ1  LYS   8           HZ1      LYS   8   7.433   1.840   6.317
   56    HZ2  LYS   8           HZ2      LYS   8   7.458   0.321   5.573
   57    HZ3  LYS   8           HZ3      LYS   8   6.059   0.853   6.360
   58    H    ARG   9           HN       ARG   9   4.643   0.366  -2.045
   59    HA   ARG   9           HA       ARG   9   2.904  -1.979  -2.312
   60    HB2  ARG   9           HB2      ARG   9   3.129   0.249  -4.340
   61    HB3  ARG   9           HB1      ARG   9   2.459  -1.331  -4.710
   62    HG2  ARG   9           HG2      ARG   9   0.672  -0.986  -3.116
   63    HG3  ARG   9           HG1      ARG   9   1.374   0.555  -2.623
   64    HD2  ARG   9           HD2      ARG   9   0.507  -0.032  -5.446
   65    HD3  ARG   9           HD1      ARG   9  -0.566   0.677  -4.242
   66    HE   ARG   9           HE       ARG   9   1.733   2.229  -4.288
   67   HH11  ARG   9          HH11      ARG   9  -0.850   1.426  -6.527
   68   HH12  ARG   9          HH12      ARG   9  -0.724   2.923  -7.388
   69   HH21  ARG   9          HH21      ARG   9   1.886   4.179  -5.435
   70   HH22  ARG   9          HH22      ARG   9   0.823   4.480  -6.771
   71    HA   PRO  10           HA       PRO  10   7.078  -3.335  -3.636
   72    HB2  PRO  10           HB2      PRO  10   5.978  -6.046  -3.378
   73    HB3  PRO  10           HB1      PRO  10   7.324  -5.304  -2.497
   74    HG2  PRO  10           HG2      PRO  10   4.998  -5.893  -1.306
   75    HG3  PRO  10           HG1      PRO  10   5.982  -4.490  -0.837
   76    HD2  PRO  10           HD2      PRO  10   3.523  -4.580  -2.544
   77    HD3  PRO  10           HD1      PRO  10   3.981  -3.424  -1.274
   78    HA   PRO  11           HA       PRO  11   6.250  -4.377  -7.913
   79    HB2  PRO  11           HB2      PRO  11   8.399  -6.383  -8.027
   80    HB3  PRO  11           HB1      PRO  11   8.295  -4.807  -8.833
   81    HG2  PRO  11           HG2      PRO  11  10.027  -5.261  -6.848
   82    HG3  PRO  11           HG1      PRO  11   9.244  -3.683  -7.079
   83    HD2  PRO  11           HD2      PRO  11   8.570  -5.852  -5.127
   84    HD3  PRO  11           HD1      PRO  11   8.658  -4.096  -4.877
   85    H    GLY  12           HN       GLY  12   4.407  -5.450  -8.270
   86    HA2  GLY  12           HA2      GLY  12   3.714  -7.645  -9.259
   87    HA3  GLY  12           HA1      GLY  12   4.371  -8.368  -7.802
   88    H    PHE  13           HN       PHE  13   3.383  -6.722  -5.828
   89    HA   PHE  13           HA       PHE  13   0.460  -6.917  -6.153
   90    HB2  PHE  13           HB2      PHE  13   1.713  -8.733  -4.725
   91    HB3  PHE  13           HB1      PHE  13   1.754  -7.466  -3.505
   92    HD1  PHE  13           HD1      PHE  13  -0.405  -9.709  -5.442
   93    HD2  PHE  13           HD2      PHE  13  -0.243  -6.769  -2.369
   94    HE1  PHE  13           HE1      PHE  13  -2.689 -10.312  -4.751
   95    HE2  PHE  13           HE2      PHE  13  -2.527  -7.366  -1.673
   96    HZ   PHE  13           HZ       PHE  13  -3.751  -9.139  -2.864
   97    H    SER  14           HN       SER  14  -0.798  -5.578  -4.699
   98    HA   SER  14           HA       SER  14   0.566  -3.294  -3.497
   99    HB2  SER  14           HB2      SER  14  -1.673  -3.041  -5.523
  100    HB3  SER  14           HB1      SER  14  -1.017  -1.710  -4.572
  101    HG   SER  14           HG       SER  14  -0.070  -1.823  -6.649
  102    HA   PRO  15           HA       PRO  15  -2.809  -4.579  -0.732
  103    HB2  PRO  15           HB2      PRO  15  -1.814  -3.766   1.625
  104    HB3  PRO  15           HB1      PRO  15  -1.195  -5.197   0.782
  105    HG2  PRO  15           HG2      PRO  15   0.011  -2.516   1.070
  106    HG3  PRO  15           HG1      PRO  15   0.790  -4.101   0.916
  107    HD2  PRO  15           HD2      PRO  15   0.419  -2.202  -1.155
  108    HD3  PRO  15           HD1      PRO  15   0.964  -3.879  -1.339
  109    H    LEU  16           HN       LEU  16  -1.438  -1.458   0.284
  110    HA   LEU  16           HA       LEU  16  -4.071  -0.206  -0.056
  111    HB2  LEU  16           HB2      LEU  16  -2.417  -0.106   2.468
  112    HB3  LEU  16           HB1      LEU  16  -3.766   0.964   2.145
  113    HG   LEU  16           HG       LEU  16  -4.246  -1.981   2.034
  114   HD11  LEU  16          HD11      LEU  16  -2.963  -1.707   4.083
  115   HD12  LEU  16          HD12      LEU  16  -4.658  -2.030   4.448
  116   HD13  LEU  16          HD13      LEU  16  -4.023  -0.391   4.587
  117   HD21  LEU  16          HD21      LEU  16  -6.430  -1.307   2.907
  118   HD22  LEU  16          HD22      LEU  16  -6.031  -0.421   1.435
  119   HD23  LEU  16          HD23      LEU  16  -5.880   0.365   3.006
  Start of MODEL    5
    1    H    CYS   1           HN       CYS   1  -4.143   2.331  -1.022
    2    HA   CYS   1           HA       CYS   1  -1.784   4.030  -1.237
    3    HB2  CYS   1           HB2      CYS   1  -3.862   3.862  -3.332
    4    HB3  CYS   1           HB1      CYS   1  -3.461   5.495  -2.807
    5    H    PHE   2           HN       PHE   2  -1.872   5.595   0.207
    6    HA   PHE   2           HA       PHE   2  -4.361   6.067   1.655
    7    HB2  PHE   2           HB2      PHE   2  -1.480   6.773   2.235
    8    HB3  PHE   2           HB1      PHE   2  -2.818   7.339   3.229
    9    HD1  PHE   2           HD1      PHE   2  -4.037   5.816   4.658
   10    HD2  PHE   2           HD2      PHE   2  -0.809   4.450   2.245
   11    HE1  PHE   2           HE1      PHE   2  -3.952   3.731   5.961
   12    HE2  PHE   2           HE2      PHE   2  -0.719   2.361   3.542
   13    HZ   PHE   2           HZ       PHE   2  -2.292   1.999   5.402
   14    HA   PRO   3           HA       PRO   3  -5.014  10.141  -0.085
   15    HB2  PRO   3           HB2      PRO   3  -5.765  11.343   2.470
   16    HB3  PRO   3           HB1      PRO   3  -6.800  10.912   1.098
   17    HG2  PRO   3           HG2      PRO   3  -6.915   9.620   3.453
   18    HG3  PRO   3           HG1      PRO   3  -7.240   8.822   1.900
   19    HD2  PRO   3           HD2      PRO   3  -4.746   8.766   3.558
   20    HD3  PRO   3           HD1      PRO   3  -5.575   7.437   2.722
   21    H    ASP   4           HN       ASP   4  -2.422   9.606   1.784
   22    HA   ASP   4           HA       ASP   4  -1.621  12.350   2.292
   23    HB2  ASP   4           HB2      ASP   4  -0.283   9.698   2.811
   24    HB3  ASP   4           HB1      ASP   4   0.505  11.241   3.125
   25    H    GLY   5           HN       GLY   5  -1.062   9.861  -0.056
   26    HA2  GLY   5           HA2      GLY   5  -0.395  10.802  -2.283
   27    HA3  GLY   5           HA1      GLY   5   0.909  11.594  -1.417
   28    H    ARG   6           HN       ARG   6   1.545   9.332   0.277
   29    HA   ARG   6           HA       ARG   6   3.051   7.769  -1.680
   30    HB2  ARG   6           HB2      ARG   6   3.333   8.172   1.290
   31    HB3  ARG   6           HB1      ARG   6   4.232   6.928   0.434
   32    HG2  ARG   6           HG2      ARG   6   5.229   8.662  -0.998
   33    HG3  ARG   6           HG1      ARG   6   4.366   9.894  -0.075
   34    HD2  ARG   6           HD2      ARG   6   5.537   9.196   1.953
   35    HD3  ARG   6           HD1      ARG   6   6.388   7.953   1.040
   36    HE   ARG   6           HE       ARG   6   6.796  10.520  -0.103
   37   HH11  ARG   6          HH11      ARG   6   7.851   8.517   2.582
   38   HH12  ARG   6          HH12      ARG   6   9.386   9.307   2.717
   39   HH21  ARG   6          HH21      ARG   6   8.811  11.538   0.092
   40   HH22  ARG   6          HH22      ARG   6   9.928  11.016   1.308
   41    H    CYS   7           HN       CYS   7   3.097   5.533  -1.725
   42    HA   CYS   7           HA       CYS   7   1.142   4.046  -0.144
   43    HB2  CYS   7           HB2      CYS   7   1.440   3.552  -3.103
   44    HB3  CYS   7           HB1      CYS   7   0.150   3.019  -2.032
   45    H    LYS   8           HN       LYS   8   1.574   1.803   0.042
   46    HA   LYS   8           HA       LYS   8   4.157   0.838  -0.958
   47    HB2  LYS   8           HB2      LYS   8   3.315   0.918   1.941
   48    HB3  LYS   8           HB1      LYS   8   4.563  -0.172   1.353
   49    HG2  LYS   8           HG2      LYS   8   5.888   1.738   0.606
   50    HG3  LYS   8           HG1      LYS   8   4.631   2.835   1.181
   51    HD2  LYS   8           HD2      LYS   8   4.956   2.006   3.463
   52    HD3  LYS   8           HD1      LYS   8   6.214   0.912   2.886
   53    HE2  LYS   8           HE2      LYS   8   7.542   2.830   2.150
   54    HE3  LYS   8           HE1      LYS   8   6.282   3.923   2.721
   55    HZ1  LYS   8           HZ1      LYS   8   7.854   2.060   4.419
   56    HZ2  LYS   8           HZ2      LYS   8   6.645   3.110   4.967
   57    HZ3  LYS   8           HZ3      LYS   8   8.078   3.734   4.321
   58    H    ARG   9           HN       ARG   9   4.383  -1.479  -0.922
   59    HA   ARG   9           HA       ARG   9   1.947  -3.018  -0.431
   60    HB2  ARG   9           HB2      ARG   9   2.262  -4.222  -2.640
   61    HB3  ARG   9           HB1      ARG   9   1.665  -2.576  -2.746
   62    HG2  ARG   9           HG2      ARG   9   3.871  -1.790  -3.405
   63    HG3  ARG   9           HG1      ARG   9   4.522  -3.419  -3.228
   64    HD2  ARG   9           HD2      ARG   9   4.143  -3.156  -5.531
   65    HD3  ARG   9           HD1      ARG   9   2.794  -4.131  -4.952
   66    HE   ARG   9           HE       ARG   9   1.988  -1.471  -4.856
   67   HH11  ARG   9          HH11      ARG   9   2.897  -3.794  -7.331
   68   HH12  ARG   9          HH12      ARG   9   1.906  -3.057  -8.546
   69   HH21  ARG   9          HH21      ARG   9   0.700  -0.526  -6.464
   70   HH22  ARG   9          HH22      ARG   9   0.664  -1.210  -8.055
   71    HA   PRO  10           HA       PRO  10   5.539  -5.171   1.524
   72    HB2  PRO  10           HB2      PRO  10   3.282  -6.554   2.876
   73    HB3  PRO  10           HB1      PRO  10   4.741  -5.826   3.565
   74    HG2  PRO  10           HG2      PRO  10   2.374  -4.642   3.801
   75    HG3  PRO  10           HG1      PRO  10   3.868  -3.712   3.579
   76    HD2  PRO  10           HD2      PRO  10   1.701  -4.289   1.620
   77    HD3  PRO  10           HD1      PRO  10   2.713  -2.846   1.796
   78    HA   PRO  11           HA       PRO  11   4.074  -9.456  -0.018
   79    HB2  PRO  11           HB2      PRO  11   1.491  -9.427  -1.278
   80    HB3  PRO  11           HB1      PRO  11   1.956 -10.234   0.229
   81    HG2  PRO  11           HG2      PRO  11   0.214  -8.129   0.090
   82    HG3  PRO  11           HG1      PRO  11   1.161  -8.559   1.528
   83    HD2  PRO  11           HD2      PRO  11   1.691  -6.436  -0.513
   84    HD3  PRO  11           HD1      PRO  11   1.882  -6.384   1.250
   85    H    GLY  12           HN       GLY  12   2.583  -7.040  -2.111
   86    HA2  GLY  12           HA2      GLY  12   3.417  -6.338  -4.210
   87    HA3  GLY  12           HA1      GLY  12   4.375  -7.807  -4.292
   88    H    PHE  13           HN       PHE  13   0.965  -7.848  -3.495
   89    HA   PHE  13           HA       PHE  13   0.310  -8.821  -6.194
   90    HB2  PHE  13           HB2      PHE  13  -0.434 -10.120  -3.568
   91    HB3  PHE  13           HB1      PHE  13  -1.227 -10.504  -5.091
   92    HD1  PHE  13           HD1      PHE  13   1.835 -10.823  -3.125
   93    HD2  PHE  13           HD2      PHE  13  -0.072 -11.751  -6.815
   94    HE1  PHE  13           HE1      PHE  13   3.588 -12.480  -3.609
   95    HE2  PHE  13           HE2      PHE  13   1.678 -13.409  -7.307
   96    HZ   PHE  13           HZ       PHE  13   3.511 -13.776  -5.702
   97    H    SER  14           HN       SER  14  -0.938  -7.612  -3.105
   98    HA   SER  14           HA       SER  14  -3.136  -6.298  -4.555
   99    HB2  SER  14           HB2      SER  14  -3.924  -8.180  -3.111
  100    HB3  SER  14           HB1      SER  14  -3.252  -7.342  -1.713
  101    HG   SER  14           HG       SER  14  -4.733  -5.723  -1.977
  102    HA   PRO  15           HA       PRO  15  -0.614  -3.006  -2.512
  103    HB2  PRO  15           HB2      PRO  15  -0.807  -1.107  -4.403
  104    HB3  PRO  15           HB1      PRO  15   0.287  -2.491  -4.588
  105    HG2  PRO  15           HG2      PRO  15  -2.410  -2.052  -5.771
  106    HG3  PRO  15           HG1      PRO  15  -0.930  -2.670  -6.534
  107    HD2  PRO  15           HD2      PRO  15  -2.938  -4.303  -5.633
  108    HD3  PRO  15           HD1      PRO  15  -1.238  -4.806  -5.719
  109    H    LEU  16           HN       LEU  16  -1.081  -0.680  -2.038
  110    HA   LEU  16           HA       LEU  16  -3.903   0.049  -1.896
  111    HB2  LEU  16           HB2      LEU  16  -2.121  -0.235   0.534
  112    HB3  LEU  16           HB1      LEU  16  -3.648   0.625   0.543
  113    HG   LEU  16           HG       LEU  16  -4.466  -1.769  -0.417
  114   HD11  LEU  16          HD11      LEU  16  -3.386  -3.538   0.866
  115   HD12  LEU  16          HD12      LEU  16  -2.210  -2.380   1.488
  116   HD13  LEU  16          HD13      LEU  16  -2.244  -2.765  -0.234
  117   HD21  LEU  16          HD21      LEU  16  -5.226  -2.241   1.866
  118   HD22  LEU  16          HD22      LEU  16  -5.472  -0.551   1.428
  119   HD23  LEU  16          HD23      LEU  16  -4.131  -1.003   2.480
  Start of MODEL    6
    1    H    CYS   1           HN       CYS   1  -3.998   2.494  -0.965
    2    HA   CYS   1           HA       CYS   1  -1.583   4.103  -0.746
    3    HB2  CYS   1           HB2      CYS   1  -2.988   3.797  -3.259
    4    HB3  CYS   1           HB1      CYS   1  -3.031   5.472  -2.716
    5    H    PHE   2           HN       PHE   2  -1.897   5.791   0.533
    6    HA   PHE   2           HA       PHE   2  -4.623   6.398   1.402
    7    HB2  PHE   2           HB2      PHE   2  -1.917   6.998   2.605
    8    HB3  PHE   2           HB1      PHE   2  -3.416   7.658   3.250
    9    HD1  PHE   2           HD1      PHE   2  -5.009   6.241   4.397
   10    HD2  PHE   2           HD2      PHE   2  -1.380   4.654   2.841
   11    HE1  PHE   2           HE1      PHE   2  -5.328   4.206   5.741
   12    HE2  PHE   2           HE2      PHE   2  -1.693   2.614   4.182
   13    HZ   PHE   2           HZ       PHE   2  -3.669   2.388   5.634
   14    HA   PRO   3           HA       PRO   3  -4.614  10.412  -0.579
   15    HB2  PRO   3           HB2      PRO   3  -5.982  11.737   1.629
   16    HB3  PRO   3           HB1      PRO   3  -6.633  11.249   0.056
   17    HG2  PRO   3           HG2      PRO   3  -7.388  10.085   2.366
   18    HG3  PRO   3           HG1      PRO   3  -7.344   9.222   0.815
   19    HD2  PRO   3           HD2      PRO   3  -5.348   9.180   3.049
   20    HD3  PRO   3           HD1      PRO   3  -5.989   7.835   2.082
   21    H    ASP   4           HN       ASP   4  -2.657   9.876   1.959
   22    HA   ASP   4           HA       ASP   4  -1.923  12.622   2.559
   23    HB2  ASP   4           HB2      ASP   4  -0.913   9.968   3.574
   24    HB3  ASP   4           HB1      ASP   4  -0.181  11.504   4.029
   25    H    GLY   5           HN       GLY   5  -0.808   9.976   0.611
   26    HA2  GLY   5           HA2      GLY   5   0.521  10.788  -1.367
   27    HA3  GLY   5           HA1      GLY   5   1.562  11.556  -0.182
   28    H    ARG   6           HN       ARG   6   1.493   9.328   1.691
   29    HA   ARG   6           HA       ARG   6   3.453   7.624   0.357
   30    HB2  ARG   6           HB2      ARG   6   2.736   8.069   3.249
   31    HB3  ARG   6           HB1      ARG   6   3.804   6.768   2.744
   32    HG2  ARG   6           HG2      ARG   6   5.330   8.412   1.755
   33    HG3  ARG   6           HG1      ARG   6   4.263   9.710   2.294
   34    HD2  ARG   6           HD2      ARG   6   4.601   9.029   4.617
   35    HD3  ARG   6           HD1      ARG   6   5.657   7.722   4.083
   36    HE   ARG   6           HE       ARG   6   6.601  10.196   3.098
   37   HH11  ARG   6          HH11      ARG   6   6.423   8.374   6.096
   38   HH12  ARG   6          HH12      ARG   6   7.825   9.131   6.773
   39   HH21  ARG   6          HH21      ARG   6   8.433  11.175   4.006
   40   HH22  ARG   6          HH22      ARG   6   8.961  10.716   5.591
   41    H    CYS   7           HN       CYS   7   3.289   5.444   0.126
   42    HA   CYS   7           HA       CYS   7   0.912   4.058   1.104
   43    HB2  CYS   7           HB2      CYS   7   1.899   3.745  -1.738
   44    HB3  CYS   7           HB1      CYS   7   0.404   3.128  -1.048
   45    H    LYS   8           HN       LYS   8   1.091   1.664   0.769
   46    HA   LYS   8           HA       LYS   8   3.840   0.647   0.718
   47    HB2  LYS   8           HB2      LYS   8   1.848   0.232   2.952
   48    HB3  LYS   8           HB1      LYS   8   3.208  -0.851   2.692
   49    HG2  LYS   8           HG2      LYS   8   4.757   1.013   3.010
   50    HG3  LYS   8           HG1      LYS   8   3.390   2.099   3.276
   51    HD2  LYS   8           HD2      LYS   8   2.725   0.781   5.228
   52    HD3  LYS   8           HD1      LYS   8   4.086  -0.309   4.959
   53    HE2  LYS   8           HE2      LYS   8   5.639   1.555   5.292
   54    HE3  LYS   8           HE1      LYS   8   4.276   2.640   5.564
   55    HZ1  LYS   8           HZ1      LYS   8   4.972   0.288   7.238
   56    HZ2  LYS   8           HZ2      LYS   8   3.665   1.330   7.501
   57    HZ3  LYS   8           HZ3      LYS   8   5.249   1.907   7.646
   58    H    ARG   9           HN       ARG   9   3.982  -1.625   0.246
   59    HA   ARG   9           HA       ARG   9   1.518  -2.900  -0.697
   60    HB2  ARG   9           HB2      ARG   9   3.997  -2.481  -2.369
   61    HB3  ARG   9           HB1      ARG   9   2.739  -3.634  -2.783
   62    HG2  ARG   9           HG2      ARG   9   1.117  -1.746  -2.835
   63    HG3  ARG   9           HG1      ARG   9   2.470  -0.641  -2.594
   64    HD2  ARG   9           HD2      ARG   9   3.502  -1.449  -4.655
   65    HD3  ARG   9           HD1      ARG   9   2.163  -2.570  -4.893
   66    HE   ARG   9           HE       ARG   9   1.133   0.029  -4.652
   67   HH11  ARG   9          HH11      ARG   9   3.023  -1.861  -6.932
   68   HH12  ARG   9          HH12      ARG   9   2.488  -0.951  -8.306
   69   HH21  ARG   9          HH21      ARG   9   0.446   1.204  -6.464
   70   HH22  ARG   9          HH22      ARG   9   1.030   0.782  -8.039
   71    HA   PRO  10           HA       PRO  10   3.639  -6.218   1.587
   72    HB2  PRO  10           HB2      PRO  10   1.297  -7.842   0.810
   73    HB3  PRO  10           HB1      PRO  10   1.889  -7.435   2.430
   74    HG2  PRO  10           HG2      PRO  10  -0.364  -6.388   1.471
   75    HG3  PRO  10           HG1      PRO  10   0.731  -5.461   2.517
   76    HD2  PRO  10           HD2      PRO  10   0.403  -5.328  -0.455
   77    HD3  PRO  10           HD1      PRO  10   0.606  -4.015   0.724
   78    HA   PRO  11           HA       PRO  11   5.303  -8.767  -1.708
   79    HB2  PRO  11           HB2      PRO  11   5.504 -11.167  -0.063
   80    HB3  PRO  11           HB1      PRO  11   6.795 -10.076  -0.596
   81    HG2  PRO  11           HG2      PRO  11   6.040 -10.283   1.983
   82    HG3  PRO  11           HG1      PRO  11   6.673  -8.782   1.276
   83    HD2  PRO  11           HD2      PRO  11   3.829  -9.555   1.815
   84    HD3  PRO  11           HD1      PRO  11   4.655  -8.011   2.112
   85    H    GLY  12           HN       GLY  12   2.246  -9.307  -0.669
   86    HA2  GLY  12           HA2      GLY  12   1.845 -11.812  -2.146
   87    HA3  GLY  12           HA1      GLY  12   0.692 -11.072  -1.046
   88    H    PHE  13           HN       PHE  13  -0.913  -9.918  -1.873
   89    HA   PHE  13           HA       PHE  13  -0.688  -8.735  -4.539
   90    HB2  PHE  13           HB2      PHE  13  -2.790 -10.765  -3.753
   91    HB3  PHE  13           HB1      PHE  13  -2.958  -9.698  -5.142
   92    HD1  PHE  13           HD1      PHE  13  -1.289 -12.634  -3.786
   93    HD2  PHE  13           HD2      PHE  13  -1.528  -9.978  -7.103
   94    HE1  PHE  13           HE1      PHE  13  -0.051 -14.251  -5.165
   95    HE2  PHE  13           HE2      PHE  13  -0.291 -11.591  -8.489
   96    HZ   PHE  13           HZ       PHE  13   0.449 -13.731  -7.520
   97    H    SER  14           HN       SER  14  -2.711  -7.420  -5.067
   98    HA   SER  14           HA       SER  14  -4.150  -5.730  -4.657
   99    HB2  SER  14           HB2      SER  14  -4.542  -7.046  -1.963
  100    HB3  SER  14           HB1      SER  14  -5.545  -5.749  -2.612
  101    HG   SER  14           HG       SER  14  -5.141  -8.156  -4.032
  102    HA   PRO  15           HA       PRO  15  -1.056  -3.143  -2.440
  103    HB2  PRO  15           HB2      PRO  15  -0.948  -1.078  -4.153
  104    HB3  PRO  15           HB1      PRO  15  -0.150  -2.619  -4.521
  105    HG2  PRO  15           HG2      PRO  15  -2.748  -1.559  -5.516
  106    HG3  PRO  15           HG1      PRO  15  -1.448  -2.380  -6.406
  107    HD2  PRO  15           HD2      PRO  15  -3.717  -3.658  -5.523
  108    HD3  PRO  15           HD1      PRO  15  -2.164  -4.476  -5.786
  109    H    LEU  16           HN       LEU  16  -1.140  -0.729  -1.788
  110    HA   LEU  16           HA       LEU  16  -3.857   0.298  -1.460
  111    HB2  LEU  16           HB2      LEU  16  -2.015  -0.383   0.827
  112    HB3  LEU  16           HB1      LEU  16  -3.352   0.739   0.992
  113    HG   LEU  16           HG       LEU  16  -4.649  -1.397  -0.049
  114   HD11  LEU  16          HD11      LEU  16  -3.848  -3.411   1.064
  115   HD12  LEU  16          HD12      LEU  16  -2.446  -2.528   1.668
  116   HD13  LEU  16          HD13      LEU  16  -2.646  -2.787  -0.065
  117   HD21  LEU  16          HD21      LEU  16  -5.319  -0.139   1.914
  118   HD22  LEU  16          HD22      LEU  16  -4.028  -0.887   2.856
  119   HD23  LEU  16          HD23      LEU  16  -5.361  -1.870   2.251
  Start of MODEL    7
    1    H    CYS   1           HN       CYS   1  -4.181   2.080  -0.422
    2    HA   CYS   1           HA       CYS   1  -1.681   3.556  -0.264
    3    HB2  CYS   1           HB2      CYS   1  -3.160   3.119  -2.792
    4    HB3  CYS   1           HB1      CYS   1  -2.640   4.772  -2.476
    5    H    PHE   2           HN       PHE   2  -1.954   5.414   0.749
    6    HA   PHE   2           HA       PHE   2  -4.635   6.273   1.458
    7    HB2  PHE   2           HB2      PHE   2  -1.885   7.131   2.369
    8    HB3  PHE   2           HB1      PHE   2  -3.359   7.923   2.916
    9    HD1  PHE   2           HD1      PHE   2  -4.883   6.807   4.429
   10    HD2  PHE   2           HD2      PHE   2  -1.320   4.896   3.098
   11    HE1  PHE   2           HE1      PHE   2  -5.124   5.125   6.209
   12    HE2  PHE   2           HE2      PHE   2  -1.555   3.211   4.875
   13    HZ   PHE   2           HZ       PHE   2  -3.459   3.324   6.433
   14    HA   PRO   3           HA       PRO   3  -4.868   9.754  -1.347
   15    HB2  PRO   3           HB2      PRO   3  -5.892  11.569   0.721
   16    HB3  PRO   3           HB1      PRO   3  -6.731  10.888  -0.683
   17    HG2  PRO   3           HG2      PRO   3  -7.333  10.146   1.814
   18    HG3  PRO   3           HG1      PRO   3  -7.409   9.017   0.447
   19    HD2  PRO   3           HD2      PRO   3  -5.267   9.320   2.519
   20    HD3  PRO   3           HD1      PRO   3  -6.003   7.842   1.865
   21    H    ASP   4           HN       ASP   4  -2.720   9.823   1.188
   22    HA   ASP   4           HA       ASP   4  -1.804  12.559   0.856
   23    HB2  ASP   4           HB2      ASP   4  -0.853  10.276   2.584
   24    HB3  ASP   4           HB1      ASP   4  -0.019  11.825   2.505
   25    H    GLY   5           HN       GLY   5  -1.091   9.444  -0.415
   26    HA2  GLY   5           HA2      GLY   5   0.155   9.372  -2.511
   27    HA3  GLY   5           HA1      GLY   5   1.245  10.566  -1.831
   28    H    ARG   6           HN       ARG   6   0.973   8.851   0.777
   29    HA   ARG   6           HA       ARG   6   3.204   7.079   0.094
   30    HB2  ARG   6           HB2      ARG   6   2.219   8.223   2.700
   31    HB3  ARG   6           HB1      ARG   6   3.388   6.911   2.648
   32    HG2  ARG   6           HG2      ARG   6   4.900   8.339   1.332
   33    HG3  ARG   6           HG1      ARG   6   3.735   9.659   1.462
   34    HD2  ARG   6           HD2      ARG   6   3.951   9.620   3.891
   35    HD3  ARG   6           HD1      ARG   6   5.091   8.280   3.777
   36    HE   ARG   6           HE       ARG   6   5.948  10.532   2.254
   37   HH11  ARG   6          HH11      ARG   6   5.847   9.287   5.537
   38   HH12  ARG   6          HH12      ARG   6   7.214  10.217   6.053
   39   HH21  ARG   6          HH21      ARG   6   7.735  11.738   2.952
   40   HH22  ARG   6          HH22      ARG   6   8.281  11.603   4.590
   41    H    CYS   7           HN       CYS   7   3.162   4.923   0.342
   42    HA   CYS   7           HA       CYS   7   0.847   3.622   1.571
   43    HB2  CYS   7           HB2      CYS   7   1.913   2.539  -1.020
   44    HB3  CYS   7           HB1      CYS   7   0.328   2.309  -0.293
   45    H    LYS   8           HN       LYS   8   1.325   1.724   2.623
   46    HA   LYS   8           HA       LYS   8   3.948   0.499   2.256
   47    HB2  LYS   8           HB2      LYS   8   3.034   1.749   4.843
   48    HB3  LYS   8           HB1      LYS   8   4.235   0.466   4.811
   49    HG2  LYS   8           HG2      LYS   8   5.686   1.848   3.418
   50    HG3  LYS   8           HG1      LYS   8   4.476   3.132   3.429
   51    HD2  LYS   8           HD2      LYS   8   4.684   3.299   5.866
   52    HD3  LYS   8           HD1      LYS   8   5.902   2.022   5.847
   53    HE2  LYS   8           HE2      LYS   8   7.348   3.423   4.457
   54    HE3  LYS   8           HE1      LYS   8   6.128   4.697   4.471
   55    HZ1  LYS   8           HZ1      LYS   8   7.863   5.119   6.094
   56    HZ2  LYS   8           HZ2      LYS   8   7.552   3.641   6.855
   57    HZ3  LYS   8           HZ3      LYS   8   6.381   4.862   6.870
   58    H    ARG   9           HN       ARG   9   3.435  -1.522   1.825
   59    HA   ARG   9           HA       ARG   9   2.060  -3.134   3.779
   60    HB2  ARG   9           HB2      ARG   9   0.809  -2.474   1.150
   61    HB3  ARG   9           HB1      ARG   9   0.650  -4.122   1.740
   62    HG2  ARG   9           HG2      ARG   9  -0.225  -3.093   3.900
   63    HG3  ARG   9           HG1      ARG   9  -0.359  -1.587   2.989
   64    HD2  ARG   9           HD2      ARG   9  -1.850  -2.638   1.404
   65    HD3  ARG   9           HD1      ARG   9  -1.644  -4.197   2.197
   66    HE   ARG   9           HE       ARG   9  -2.613  -2.238   4.013
   67   HH11  ARG   9          HH11      ARG   9  -3.681  -4.343   1.412
   68   HH12  ARG   9          HH12      ARG   9  -5.316  -4.408   1.982
   69   HH21  ARG   9          HH21      ARG   9  -4.758  -2.338   4.740
   70   HH22  ARG   9          HH22      ARG   9  -5.924  -3.274   3.864
   71    HA   PRO  10           HA       PRO  10   4.923  -6.149   2.144
   72    HB2  PRO  10           HB2      PRO  10   3.146  -8.395   2.728
   73    HB3  PRO  10           HB1      PRO  10   4.634  -7.915   3.561
   74    HG2  PRO  10           HG2      PRO  10   2.209  -7.722   4.711
   75    HG3  PRO  10           HG1      PRO  10   3.539  -6.601   5.069
   76    HD2  PRO  10           HD2      PRO  10   1.182  -6.209   3.263
   77    HD3  PRO  10           HD1      PRO  10   1.908  -5.087   4.434
   78    HA   PRO  11           HA       PRO  11   3.693  -7.436  -1.968
   79    HB2  PRO  11           HB2      PRO  11   5.246  -9.923  -1.846
   80    HB3  PRO  11           HB1      PRO  11   5.544  -8.469  -2.814
   81    HG2  PRO  11           HG2      PRO  11   7.137  -9.165  -0.776
   82    HG3  PRO  11           HG1      PRO  11   6.809  -7.471  -1.192
   83    HD2  PRO  11           HD2      PRO  11   5.612  -9.137   0.989
   84    HD3  PRO  11           HD1      PRO  11   6.184  -7.456   1.037
   85    H    GLY  12           HN       GLY  12   1.809  -8.241  -2.586
   86    HA2  GLY  12           HA2      GLY  12   1.090 -10.995  -1.926
   87    HA3  GLY  12           HA1      GLY  12   0.002  -9.734  -1.367
   88    H    PHE  13           HN       PHE  13  -1.514  -8.980  -2.714
   89    HA   PHE  13           HA       PHE  13  -1.269  -9.509  -5.591
   90    HB2  PHE  13           HB2      PHE  13  -3.632 -10.249  -3.858
   91    HB3  PHE  13           HB1      PHE  13  -3.707 -10.167  -5.614
   92    HD1  PHE  13           HD1      PHE  13  -2.605 -11.827  -6.987
   93    HD2  PHE  13           HD2      PHE  13  -2.428 -12.022  -2.739
   94    HE1  PHE  13           HE1      PHE  13  -1.807 -14.150  -7.130
   95    HE2  PHE  13           HE2      PHE  13  -1.628 -14.344  -2.874
   96    HZ   PHE  13           HZ       PHE  13  -1.318 -15.412  -5.072
   97    H    SER  14           HN       SER  14  -2.989  -7.779  -3.013
   98    HA   SER  14           HA       SER  14  -3.317  -5.499  -4.820
   99    HB2  SER  14           HB2      SER  14  -5.525  -6.621  -3.080
  100    HB3  SER  14           HB1      SER  14  -5.617  -5.114  -3.992
  101    HG   SER  14           HG       SER  14  -4.838  -7.208  -5.542
  102    HA   PRO  15           HA       PRO  15  -1.647  -3.957  -0.804
  103    HB2  PRO  15           HB2      PRO  15  -0.175  -1.906  -1.755
  104    HB3  PRO  15           HB1      PRO  15   0.389  -3.585  -1.851
  105    HG2  PRO  15           HG2      PRO  15  -0.820  -1.876  -3.967
  106    HG3  PRO  15           HG1      PRO  15   0.540  -3.013  -4.071
  107    HD2  PRO  15           HD2      PRO  15  -2.016  -3.627  -4.879
  108    HD3  PRO  15           HD1      PRO  15  -0.829  -4.835  -4.351
  109    H    LEU  16           HN       LEU  16  -1.540  -1.545   0.072
  110    HA   LEU  16           HA       LEU  16  -4.084  -0.243  -0.661
  111    HB2  LEU  16           HB2      LEU  16  -3.780  -1.354   1.662
  112    HB3  LEU  16           HB1      LEU  16  -2.759   0.022   2.025
  113    HG   LEU  16           HG       LEU  16  -4.880   1.394   1.241
  114   HD11  LEU  16          HD11      LEU  16  -6.187  -0.541   0.546
  115   HD12  LEU  16          HD12      LEU  16  -6.964   0.293   1.891
  116   HD13  LEU  16          HD13      LEU  16  -6.085  -1.210   2.175
  117   HD21  LEU  16          HD21      LEU  16  -5.619   1.463   3.579
  118   HD22  LEU  16          HD22      LEU  16  -3.862   1.530   3.443
  119   HD23  LEU  16          HD23      LEU  16  -4.653   0.027   3.920
  Start of MODEL    8
    1    H    CYS   1           HN       CYS   1  -4.134   3.027   1.649
    2    HA   CYS   1           HA       CYS   1  -1.616   3.688   0.348
    3    HB2  CYS   1           HB2      CYS   1  -3.069   1.752  -0.863
    4    HB3  CYS   1           HB1      CYS   1  -3.803   3.182  -1.583
    5    H    PHE   2           HN       PHE   2  -1.484   5.795   0.201
    6    HA   PHE   2           HA       PHE   2  -3.933   7.361  -0.235
    7    HB2  PHE   2           HB2      PHE   2  -1.781   7.760   1.805
    8    HB3  PHE   2           HB1      PHE   2  -2.649   9.156   1.177
    9    HD1  PHE   2           HD1      PHE   2  -2.917   6.088   3.163
   10    HD2  PHE   2           HD2      PHE   2  -4.963   9.529   1.712
   11    HE1  PHE   2           HE1      PHE   2  -4.744   5.673   4.760
   12    HE2  PHE   2           HE2      PHE   2  -6.790   9.119   3.307
   13    HZ   PHE   2           HZ       PHE   2  -6.682   7.190   4.834
   14    HA   PRO   3           HA       PRO   3  -1.297   8.907  -3.597
   15    HB2  PRO   3           HB2      PRO   3  -3.433  10.721  -4.374
   16    HB3  PRO   3           HB1      PRO   3  -2.854   9.271  -5.213
   17    HG2  PRO   3           HG2      PRO   3  -5.296   9.426  -4.072
   18    HG3  PRO   3           HG1      PRO   3  -4.385   7.910  -4.222
   19    HD2  PRO   3           HD2      PRO   3  -4.688   9.700  -1.840
   20    HD3  PRO   3           HD1      PRO   3  -4.751   7.927  -1.941
   21    H    ASP   4           HN       ASP   4  -2.663  10.789  -1.082
   22    HA   ASP   4           HA       ASP   4  -1.296  13.240  -1.884
   23    HB2  ASP   4           HB2      ASP   4  -3.227  12.626   0.348
   24    HB3  ASP   4           HB1      ASP   4  -2.402  14.174   0.202
   25    H    GLY   5           HN       GLY   5  -1.046  10.654   0.412
   26    HA2  GLY   5           HA2      GLY   5   1.248  11.977   1.714
   27    HA3  GLY   5           HA1      GLY   5   0.281  10.704   2.443
   28    H    ARG   6           HN       ARG   6   1.224   8.797   2.518
   29    HA   ARG   6           HA       ARG   6   3.028   7.989   0.338
   30    HB2  ARG   6           HB2      ARG   6   3.532   7.798   3.305
   31    HB3  ARG   6           HB1      ARG   6   4.398   6.806   2.142
   32    HG2  ARG   6           HG2      ARG   6   5.268   8.816   1.065
   33    HG3  ARG   6           HG1      ARG   6   4.389   9.818   2.220
   34    HD2  ARG   6           HD2      ARG   6   5.669   8.818   4.053
   35    HD3  ARG   6           HD1      ARG   6   6.552   7.825   2.893
   36    HE   ARG   6           HE       ARG   6   6.842  10.494   2.132
   37   HH11  ARG   6          HH11      ARG   6   7.830   8.429   4.797
   38   HH12  ARG   6          HH12      ARG   6   9.259   9.348   5.130
   39   HH21  ARG   6          HH21      ARG   6   8.719  11.681   2.586
   40   HH22  ARG   6          HH22      ARG   6   9.761  11.188   3.878
   41    H    CYS   7           HN       CYS   7   3.096   5.775  -0.118
   42    HA   CYS   7           HA       CYS   7   1.260   4.024   1.309
   43    HB2  CYS   7           HB2      CYS   7  -0.026   4.844  -0.580
   44    HB3  CYS   7           HB1      CYS   7   1.300   4.504  -1.681
   45    H    LYS   8           HN       LYS   8   1.681   1.840   1.160
   46    HA   LYS   8           HA       LYS   8   4.106   0.946  -0.217
   47    HB2  LYS   8           HB2      LYS   8   3.544   0.642   2.738
   48    HB3  LYS   8           HB1      LYS   8   4.673  -0.400   1.882
   49    HG2  LYS   8           HG2      LYS   8   6.014   1.554   1.275
   50    HG3  LYS   8           HG1      LYS   8   4.884   2.594   2.145
   51    HD2  LYS   8           HD2      LYS   8   5.401   1.412   4.225
   52    HD3  LYS   8           HD1      LYS   8   6.527   0.369   3.355
   53    HE2  LYS   8           HE2      LYS   8   7.876   2.325   2.765
   54    HE3  LYS   8           HE1      LYS   8   6.750   3.365   3.637
   55    HZ1  LYS   8           HZ1      LYS   8   7.307   2.190   5.676
   56    HZ2  LYS   8           HZ2      LYS   8   8.695   2.854   4.972
   57    HZ3  LYS   8           HZ3      LYS   8   8.388   1.196   4.837
   58    H    ARG   9           HN       ARG   9   4.022  -1.194  -0.889
   59    HA   ARG   9           HA       ARG   9   1.673  -2.776  -0.140
   60    HB2  ARG   9           HB2      ARG   9   2.424  -2.003  -2.956
   61    HB3  ARG   9           HB1      ARG   9   1.411  -3.395  -2.605
   62    HG2  ARG   9           HG2      ARG   9  -0.224  -1.940  -1.521
   63    HG3  ARG   9           HG1      ARG   9   0.797  -0.541  -1.861
   64    HD2  ARG   9           HD2      ARG   9   0.578  -0.970  -4.261
   65    HD3  ARG   9           HD1      ARG   9  -0.444  -2.365  -3.918
   66    HE   ARG   9           HE       ARG   9  -1.576  -0.129  -2.680
   67   HH11  ARG   9          HH11      ARG   9  -1.001  -1.298  -5.942
   68   HH12  ARG   9          HH12      ARG   9  -2.360  -0.453  -6.607
   69   HH21  ARG   9          HH21      ARG   9  -3.348   0.968  -3.572
   70   HH22  ARG   9          HH22      ARG   9  -3.685   0.828  -5.266
   71    HA   PRO  10           HA       PRO  10   5.314  -5.590  -0.124
   72    HB2  PRO  10           HB2      PRO  10   3.774  -7.146   1.820
   73    HB3  PRO  10           HB1      PRO  10   5.337  -6.339   2.036
   74    HG2  PRO  10           HG2      PRO  10   3.099  -5.498   3.266
   75    HG3  PRO  10           HG1      PRO  10   4.396  -4.394   2.765
   76    HD2  PRO  10           HD2      PRO  10   1.776  -4.951   1.427
   77    HD3  PRO  10           HD1      PRO  10   2.613  -3.403   1.681
   78    HA   PRO  11           HA       PRO  11   3.597  -8.835  -2.686
   79    HB2  PRO  11           HB2      PRO  11   5.296 -10.930  -1.537
   80    HB3  PRO  11           HB1      PRO  11   5.374 -10.187  -3.145
   81    HG2  PRO  11           HG2      PRO  11   7.266  -9.772  -1.289
   82    HG3  PRO  11           HG1      PRO  11   6.799  -8.533  -2.472
   83    HD2  PRO  11           HD2      PRO  11   5.993  -8.790   0.401
   84    HD3  PRO  11           HD1      PRO  11   6.481  -7.345  -0.510
   85    H    GLY  12           HN       GLY  12   1.572  -9.448  -2.270
   86    HA2  GLY  12           HA2      GLY  12   0.133 -11.277  -1.681
   87    HA3  GLY  12           HA1      GLY  12   1.145 -11.573  -0.278
   88    H    PHE  13           HN       PHE  13   1.294  -9.041   0.839
   89    HA   PHE  13           HA       PHE  13  -1.494  -8.646   1.693
   90    HB2  PHE  13           HB2      PHE  13   1.119  -8.181   3.130
   91    HB3  PHE  13           HB1      PHE  13  -0.425  -7.600   3.743
   92    HD1  PHE  13           HD1      PHE  13  -2.076  -9.139   4.615
   93    HD2  PHE  13           HD2      PHE  13   1.658 -10.537   3.127
   94    HE1  PHE  13           HE1      PHE  13  -2.466 -11.316   5.693
   95    HE2  PHE  13           HE2      PHE  13   1.274 -12.717   4.202
   96    HZ   PHE  13           HZ       PHE  13  -0.790 -13.109   5.487
   97    H    SER  14           HN       SER  14  -2.304  -6.571   2.087
   98    HA   SER  14           HA       SER  14  -0.812  -4.274   1.075
   99    HB2  SER  14           HB2      SER  14  -3.585  -5.022   0.107
  100    HB3  SER  14           HB1      SER  14  -2.743  -3.521  -0.279
  101    HG   SER  14           HG       SER  14  -1.331  -4.614  -1.521
  102    HA   PRO  15           HA       PRO  15  -3.077  -3.017   4.827
  103    HB2  PRO  15           HB2      PRO  15  -1.428  -1.097   5.735
  104    HB3  PRO  15           HB1      PRO  15  -1.048  -2.821   5.886
  105    HG2  PRO  15           HG2      PRO  15   0.080  -0.803   4.047
  106    HG3  PRO  15           HG1      PRO  15   0.833  -2.245   4.751
  107    HD2  PRO  15           HD2      PRO  15  -0.239  -2.015   2.139
  108    HD3  PRO  15           HD1      PRO  15   0.278  -3.508   2.944
  109    H    LEU  16           HN       LEU  16  -1.576  -0.040   3.652
  110    HA   LEU  16           HA       LEU  16  -4.211   1.015   2.916
  111    HB2  LEU  16           HB2      LEU  16  -3.918   3.055   4.155
  112    HB3  LEU  16           HB1      LEU  16  -3.766   1.699   5.247
  113    HG   LEU  16           HG       LEU  16  -1.328   3.084   4.134
  114   HD11  LEU  16          HD11      LEU  16  -1.303   4.408   6.231
  115   HD12  LEU  16          HD12      LEU  16  -2.946   3.854   6.555
  116   HD13  LEU  16          HD13      LEU  16  -2.611   4.839   5.131
  117   HD21  LEU  16          HD21      LEU  16  -1.874   1.355   6.543
  118   HD22  LEU  16          HD22      LEU  16  -0.393   2.290   6.340
  119   HD23  LEU  16          HD23      LEU  16  -0.799   1.022   5.185
  Start of MODEL    9
    1    H    CYS   1           HN       CYS   1  -3.994   1.983  -0.402
    2    HA   CYS   1           HA       CYS   1  -1.590   3.530  -0.924
    3    HB2  CYS   1           HB2      CYS   1  -2.949   2.373  -3.077
    4    HB3  CYS   1           HB1      CYS   1  -3.476   4.052  -3.059
    5    H    PHE   2           HN       PHE   2  -1.806   5.249   0.270
    6    HA   PHE   2           HA       PHE   2  -4.475   6.404   0.678
    7    HB2  PHE   2           HB2      PHE   2  -2.627   5.741   2.540
    8    HB3  PHE   2           HB1      PHE   2  -2.194   7.424   2.261
    9    HD1  PHE   2           HD1      PHE   2  -3.729   9.218   2.847
   10    HD2  PHE   2           HD2      PHE   2  -4.725   5.142   3.560
   11    HE1  PHE   2           HE1      PHE   2  -5.549   9.928   4.341
   12    HE2  PHE   2           HE2      PHE   2  -6.547   5.845   5.054
   13    HZ   PHE   2           HZ       PHE   2  -6.962   8.240   5.446
   14    HA   PRO   3           HA       PRO   3  -3.118   9.793  -1.989
   15    HB2  PRO   3           HB2      PRO   3  -5.419  11.362  -1.149
   16    HB3  PRO   3           HB1      PRO   3  -5.117  10.592  -2.716
   17    HG2  PRO   3           HG2      PRO   3  -7.056   9.764  -1.035
   18    HG3  PRO   3           HG1      PRO   3  -6.205   8.674  -2.147
   19    HD2  PRO   3           HD2      PRO   3  -5.769   9.091   0.786
   20    HD3  PRO   3           HD1      PRO   3  -5.812   7.581  -0.150
   21    H    ASP   4           HN       ASP   4  -3.858  10.221   1.368
   22    HA   ASP   4           HA       ASP   4  -2.419  12.789   1.424
   23    HB2  ASP   4           HB2      ASP   4  -4.850  12.469   2.357
   24    HB3  ASP   4           HB1      ASP   4  -4.024  11.764   3.741
   25    H    GLY   5           HN       GLY   5  -2.126   9.499   2.221
   26    HA2  GLY   5           HA2      GLY   5   0.010  10.064   4.182
   27    HA3  GLY   5           HA1      GLY   5  -0.918   8.573   4.131
   28    H    ARG   6           HN       ARG   6   0.746   7.166   3.878
   29    HA   ARG   6           HA       ARG   6   2.472   7.489   1.515
   30    HB2  ARG   6           HB2      ARG   6   2.867   5.990   4.103
   31    HB3  ARG   6           HB1      ARG   6   3.880   5.707   2.695
   32    HG2  ARG   6           HG2      ARG   6   4.588   8.041   2.721
   33    HG3  ARG   6           HG1      ARG   6   3.552   8.345   4.116
   34    HD2  ARG   6           HD2      ARG   6   5.719   8.044   4.991
   35    HD3  ARG   6           HD1      ARG   6   4.868   6.533   5.307
   36    HE   ARG   6           HE       ARG   6   6.215   6.294   2.863
   37   HH11  ARG   6          HH11      ARG   6   6.999   6.562   6.276
   38   HH12  ARG   6          HH12      ARG   6   8.488   5.691   6.119
   39   HH21  ARG   6          HH21      ARG   6   8.167   5.157   2.682
   40   HH22  ARG   6          HH22      ARG   6   9.148   4.897   4.086
   41    H    CYS   7           HN       CYS   7   2.951   5.614   0.232
   42    HA   CYS   7           HA       CYS   7   1.111   3.366   0.459
   43    HB2  CYS   7           HB2      CYS   7   0.084   4.959  -1.117
   44    HB3  CYS   7           HB1      CYS   7   1.564   4.993  -2.062
   45    H    LYS   8           HN       LYS   8   2.560   1.816   0.890
   46    HA   LYS   8           HA       LYS   8   4.449   1.042  -1.172
   47    HB2  LYS   8           HB2      LYS   8   5.330   1.877   1.589
   48    HB3  LYS   8           HB1      LYS   8   6.259   0.717   0.652
   49    HG2  LYS   8           HG2      LYS   8   6.546   2.371  -1.121
   50    HG3  LYS   8           HG1      LYS   8   5.603   3.534  -0.187
   51    HD2  LYS   8           HD2      LYS   8   7.268   3.440   1.606
   52    HD3  LYS   8           HD1      LYS   8   8.209   2.277   0.670
   53    HE2  LYS   8           HE2      LYS   8   8.500   3.943  -1.099
   54    HE3  LYS   8           HE1      LYS   8   7.560   5.104  -0.160
   55    HZ1  LYS   8           HZ1      LYS   8  10.139   3.890   0.678
   56    HZ2  LYS   8           HZ2      LYS   8   9.241   5.011   1.570
   57    HZ3  LYS   8           HZ3      LYS   8   9.934   5.466   0.097
   58    H    ARG   9           HN       ARG   9   4.006  -1.027  -1.499
   59    HA   ARG   9           HA       ARG   9   3.813  -2.853   0.771
   60    HB2  ARG   9           HB2      ARG   9   1.652  -2.484  -1.299
   61    HB3  ARG   9           HB1      ARG   9   1.828  -3.990  -0.410
   62    HG2  ARG   9           HG2      ARG   9   1.615  -1.405   1.076
   63    HG3  ARG   9           HG1      ARG   9   0.167  -2.166   0.422
   64    HD2  ARG   9           HD2      ARG   9   0.366  -2.905   2.665
   65    HD3  ARG   9           HD1      ARG   9   0.847  -4.261   1.649
   66    HE   ARG   9           HE       ARG   9   3.099  -2.708   2.419
   67   HH11  ARG   9          HH11      ARG   9   0.881  -5.127   3.668
   68   HH12  ARG   9          HH12      ARG   9   2.017  -5.738   4.825
   69   HH21  ARG   9          HH21      ARG   9   4.570  -3.523   3.940
   70   HH22  ARG   9          HH22      ARG   9   4.103  -4.829   4.977
   71    HA   PRO  10           HA       PRO  10   6.744  -4.817  -2.131
   72    HB2  PRO  10           HB2      PRO  10   6.591  -6.940  -0.047
   73    HB3  PRO  10           HB1      PRO  10   8.008  -6.184  -0.793
   74    HG2  PRO  10           HG2      PRO  10   7.271  -5.566   1.681
   75    HG3  PRO  10           HG1      PRO  10   7.944  -4.353   0.576
   76    HD2  PRO  10           HD2      PRO  10   5.132  -4.732   1.464
   77    HD3  PRO  10           HD1      PRO  10   6.001  -3.245   1.047
   78    HA   PRO  11           HA       PRO  11   4.046  -8.782  -2.784
   79    HB2  PRO  11           HB2      PRO  11   1.573  -8.532  -1.261
   80    HB3  PRO  11           HB1      PRO  11   2.783  -9.826  -1.203
   81    HG2  PRO  11           HG2      PRO  11   2.369  -8.137   0.854
   82    HG3  PRO  11           HG1      PRO  11   3.953  -8.854   0.495
   83    HD2  PRO  11           HD2      PRO  11   2.932  -6.116  -0.169
   84    HD3  PRO  11           HD1      PRO  11   4.510  -6.604   0.477
   85    H    GLY  12           HN       GLY  12   2.316  -9.202  -4.263
   86    HA2  GLY  12           HA2      GLY  12   0.866  -6.769  -5.116
   87    HA3  GLY  12           HA1      GLY  12   1.557  -7.920  -6.249
   88    H    PHE  13           HN       PHE  13  -0.493  -8.197  -3.343
   89    HA   PHE  13           HA       PHE  13  -2.485  -9.627  -4.970
   90    HB2  PHE  13           HB2      PHE  13  -1.446 -10.400  -2.239
   91    HB3  PHE  13           HB1      PHE  13  -2.928 -11.057  -2.924
   92    HD1  PHE  13           HD1      PHE  13  -2.861 -12.623  -4.764
   93    HD2  PHE  13           HD2      PHE  13   0.721 -11.020  -3.119
   94    HE1  PHE  13           HE1      PHE  13  -1.559 -14.362  -5.917
   95    HE2  PHE  13           HE2      PHE  13   2.031 -12.755  -4.270
   96    HZ   PHE  13           HZ       PHE  13   0.891 -14.430  -5.671
   97    H    SER  14           HN       SER  14  -1.967  -8.039  -1.809
   98    HA   SER  14           HA       SER  14  -4.502  -6.619  -2.154
   99    HB2  SER  14           HB2      SER  14  -3.752  -8.138   0.363
  100    HB3  SER  14           HB1      SER  14  -5.143  -7.067   0.202
  101    HG   SER  14           HG       SER  14  -5.264  -9.535  -0.209
  102    HA   PRO  15           HA       PRO  15  -1.088  -3.867  -0.565
  103    HB2  PRO  15           HB2      PRO  15  -0.908  -2.139  -2.622
  104    HB3  PRO  15           HB1      PRO  15  -0.107  -3.721  -2.664
  105    HG2  PRO  15           HG2      PRO  15  -2.604  -2.832  -4.003
  106    HG3  PRO  15           HG1      PRO  15  -1.323  -3.910  -4.593
  107    HD2  PRO  15           HD2      PRO  15  -3.753  -4.769  -3.521
  108    HD3  PRO  15           HD1      PRO  15  -2.291  -5.764  -3.656
  109    H    LEU  16           HN       LEU  16  -1.110  -1.353  -0.439
  110    HA   LEU  16           HA       LEU  16  -3.839  -0.290  -0.217
  111    HB2  LEU  16           HB2      LEU  16  -1.723  -0.203   1.939
  112    HB3  LEU  16           HB1      LEU  16  -3.168   0.787   1.955
  113    HG   LEU  16           HG       LEU  16  -3.475  -2.180   1.769
  114   HD11  LEU  16          HD11      LEU  16  -3.427  -2.345   4.214
  115   HD12  LEU  16          HD12      LEU  16  -2.875  -0.673   4.310
  116   HD13  LEU  16          HD13      LEU  16  -1.853  -1.896   3.555
  117   HD21  LEU  16          HD21      LEU  16  -5.442  -0.742   1.589
  118   HD22  LEU  16          HD22      LEU  16  -5.050   0.001   3.139
  119   HD23  LEU  16          HD23      LEU  16  -5.496  -1.704   3.065
  Start of MODEL   10
    1    H    CYS   1           HN       CYS   1  -3.877   2.396  -1.313
    2    HA   CYS   1           HA       CYS   1  -1.371   3.653  -0.550
    3    HB2  CYS   1           HB2      CYS   1  -1.174   3.265  -3.012
    4    HB3  CYS   1           HB1      CYS   1  -2.603   4.266  -3.240
    5    H    PHE   2           HN       PHE   2  -1.697   5.420   0.591
    6    HA   PHE   2           HA       PHE   2  -4.406   6.406   0.919
    7    HB2  PHE   2           HB2      PHE   2  -1.817   7.032   2.337
    8    HB3  PHE   2           HB1      PHE   2  -3.327   7.859   2.699
    9    HD1  PHE   2           HD1      PHE   2  -5.119   6.728   3.856
   10    HD2  PHE   2           HD2      PHE   2  -1.487   4.708   2.940
   11    HE1  PHE   2           HE1      PHE   2  -5.727   4.932   5.423
   12    HE2  PHE   2           HE2      PHE   2  -2.090   2.908   4.505
   13    HZ   PHE   2           HZ       PHE   2  -4.212   3.018   5.749
   14    HA   PRO   3           HA       PRO   3  -3.813   9.989  -1.699
   15    HB2  PRO   3           HB2      PRO   3  -5.825  11.529  -0.303
   16    HB3  PRO   3           HB1      PRO   3  -5.964  10.701  -1.861
   17    HG2  PRO   3           HG2      PRO   3  -7.320   9.939   0.365
   18    HG3  PRO   3           HG1      PRO   3  -6.872   8.833  -0.948
   19    HD2  PRO   3           HD2      PRO   3  -5.552   9.241   1.707
   20    HD3  PRO   3           HD1      PRO   3  -5.875   7.737   0.822
   21    H    ASP   4           HN       ASP   4  -3.904  10.520   1.754
   22    HA   ASP   4           HA       ASP   4  -2.215  12.913   1.434
   23    HB2  ASP   4           HB2      ASP   4  -4.236  12.243   3.572
   24    HB3  ASP   4           HB1      ASP   4  -3.054  13.537   3.747
   25    H    GLY   5           HN       GLY   5  -2.415   9.750   2.719
   26    HA2  GLY   5           HA2      GLY   5  -0.187  10.167   4.578
   27    HA3  GLY   5           HA1      GLY   5  -1.171   8.718   4.454
   28    H    ARG   6           HN       ARG   6   0.732   7.459   4.420
   29    HA   ARG   6           HA       ARG   6   2.407   7.680   2.020
   30    HB2  ARG   6           HB2      ARG   6   2.801   6.291   4.668
   31    HB3  ARG   6           HB1      ARG   6   3.835   5.965   3.284
   32    HG2  ARG   6           HG2      ARG   6   4.459   8.343   3.215
   33    HG3  ARG   6           HG1      ARG   6   3.457   8.632   4.637
   34    HD2  ARG   6           HD2      ARG   6   5.655   8.410   5.450
   35    HD3  ARG   6           HD1      ARG   6   4.862   6.878   5.810
   36    HE   ARG   6           HE       ARG   6   6.109   6.583   3.348
   37   HH11  ARG   6          HH11      ARG   6   7.111   7.168   6.663
   38   HH12  ARG   6          HH12      ARG   6   8.647   6.393   6.456
   39   HH21  ARG   6          HH21      ARG   6   8.123   5.575   3.100
   40   HH22  ARG   6          HH22      ARG   6   9.219   5.494   4.439
   41    H    CYS   7           HN       CYS   7   3.121   5.561   1.048
   42    HA   CYS   7           HA       CYS   7   1.113   3.453   1.183
   43    HB2  CYS   7           HB2      CYS   7   2.143   4.486  -1.468
   44    HB3  CYS   7           HB1      CYS   7   0.787   3.403  -1.189
   45    H    LYS   8           HN       LYS   8   2.302   2.097  -1.156
   46    HA   LYS   8           HA       LYS   8   5.016   1.467  -0.243
   47    HB2  LYS   8           HB2      LYS   8   2.735  -0.497  -0.504
   48    HB3  LYS   8           HB1      LYS   8   4.415  -1.008  -0.544
   49    HG2  LYS   8           HG2      LYS   8   4.757  -0.100   1.694
   50    HG3  LYS   8           HG1      LYS   8   3.076   0.437   1.735
   51    HD2  LYS   8           HD2      LYS   8   2.332  -1.887   1.519
   52    HD3  LYS   8           HD1      LYS   8   4.013  -2.421   1.482
   53    HE2  LYS   8           HE2      LYS   8   4.349  -1.514   3.730
   54    HE3  LYS   8           HE1      LYS   8   2.670  -0.976   3.765
   55    HZ1  LYS   8           HZ1      LYS   8   3.578  -3.797   3.550
   56    HZ2  LYS   8           HZ2      LYS   8   1.967  -3.282   3.582
   57    HZ3  LYS   8           HZ3      LYS   8   2.952  -3.064   4.940
   58    H    ARG   9           HN       ARG   9   5.726  -0.532  -1.905
   59    HA   ARG   9           HA       ARG   9   4.978   0.243  -4.625
   60    HB2  ARG   9           HB2      ARG   9   7.766   0.332  -3.498
   61    HB3  ARG   9           HB1      ARG   9   7.480   0.124  -5.218
   62    HG2  ARG   9           HG2      ARG   9   6.261   2.239  -5.273
   63    HG3  ARG   9           HG1      ARG   9   6.541   2.444  -3.542
   64    HD2  ARG   9           HD2      ARG   9   8.956   2.469  -3.938
   65    HD3  ARG   9           HD1      ARG   9   8.675   2.263  -5.667
   66    HE   ARG   9           HE       ARG   9   7.260   4.516  -4.881
   67   HH11  ARG   9          HH11      ARG   9  10.631   3.540  -5.029
   68   HH12  ARG   9          HH12      ARG   9  11.208   5.158  -5.255
   69   HH21  ARG   9          HH21      ARG   9   8.038   6.625  -5.178
   70   HH22  ARG   9          HH22      ARG   9   9.740   6.901  -5.338
   71    HA   PRO  10           HA       PRO  10   7.137  -4.188  -4.639
   72    HB2  PRO  10           HB2      PRO  10   6.602  -5.080  -1.865
   73    HB3  PRO  10           HB1      PRO  10   8.059  -5.290  -2.853
   74    HG2  PRO  10           HG2      PRO  10   8.047  -3.605  -0.814
   75    HG3  PRO  10           HG1      PRO  10   8.893  -3.211  -2.325
   76    HD2  PRO  10           HD2      PRO  10   6.226  -2.253  -1.357
   77    HD3  PRO  10           HD1      PRO  10   7.539  -1.339  -2.125
   78    HA   PRO  11           HA       PRO  11   2.670  -5.209  -5.064
   79    HB2  PRO  11           HB2      PRO  11   3.619  -6.949  -7.245
   80    HB3  PRO  11           HB1      PRO  11   2.461  -5.608  -7.302
   81    HG2  PRO  11           HG2      PRO  11   4.882  -5.408  -8.401
   82    HG3  PRO  11           HG1      PRO  11   4.085  -4.026  -7.620
   83    HD2  PRO  11           HD2      PRO  11   6.254  -5.796  -6.558
   84    HD3  PRO  11           HD1      PRO  11   6.072  -4.031  -6.446
   85    H    GLY  12           HN       GLY  12   1.407  -7.071  -4.775
   86    HA2  GLY  12           HA2      GLY  12   2.750  -9.607  -4.206
   87    HA3  GLY  12           HA1      GLY  12   1.873  -8.849  -2.885
   88    H    PHE  13           HN       PHE  13  -0.412  -8.548  -3.094
   89    HA   PHE  13           HA       PHE  13  -1.710 -10.164  -5.175
   90    HB2  PHE  13           HB2      PHE  13  -2.207 -10.349  -2.197
   91    HB3  PHE  13           HB1      PHE  13  -3.321 -10.988  -3.400
   92    HD1  PHE  13           HD1      PHE  13  -0.074 -11.406  -1.782
   93    HD2  PHE  13           HD2      PHE  13  -2.763 -12.956  -4.694
   94    HE1  PHE  13           HE1      PHE  13   1.208 -13.505  -1.841
   95    HE2  PHE  13           HE2      PHE  13  -1.486 -15.058  -4.759
   96    HZ   PHE  13           HZ       PHE  13   0.502 -15.335  -3.331
   97    H    SER  14           HN       SER  14  -2.324  -7.914  -2.469
   98    HA   SER  14           HA       SER  14  -4.016  -6.292  -4.208
   99    HB2  SER  14           HB2      SER  14  -5.532  -7.892  -3.022
  100    HB3  SER  14           HB1      SER  14  -4.979  -7.220  -1.489
  101    HG   SER  14           HG       SER  14  -6.717  -6.172  -3.363
  102    HA   PRO  15           HA       PRO  15  -1.313  -3.639  -1.547
  103    HB2  PRO  15           HB2      PRO  15  -0.608  -1.805  -3.388
  104    HB3  PRO  15           HB1      PRO  15   0.159  -3.405  -3.328
  105    HG2  PRO  15           HG2      PRO  15  -1.975  -2.401  -5.143
  106    HG3  PRO  15           HG1      PRO  15  -0.554  -3.400  -5.512
  107    HD2  PRO  15           HD2      PRO  15  -3.083  -4.430  -5.161
  108    HD3  PRO  15           HD1      PRO  15  -1.595  -5.352  -4.873
  109    H    LEU  16           HN       LEU  16  -1.340  -1.184  -1.204
  110    HA   LEU  16           HA       LEU  16  -3.891   0.114  -1.750
  111    HB2  LEU  16           HB2      LEU  16  -2.911  -0.469   1.051
  112    HB3  LEU  16           HB1      LEU  16  -4.156   0.707   0.686
  113    HG   LEU  16           HG       LEU  16  -4.541  -2.105  -0.247
  114   HD11  LEU  16          HD11      LEU  16  -3.823  -2.377   2.059
  115   HD12  LEU  16          HD12      LEU  16  -5.551  -2.696   1.905
  116   HD13  LEU  16          HD13      LEU  16  -4.993  -1.166   2.582
  117   HD21  LEU  16          HD21      LEU  16  -6.412   0.015   0.814
  118   HD22  LEU  16          HD22      LEU  16  -6.886  -1.562   0.181
  119   HD23  LEU  16          HD23      LEU  16  -6.143  -0.371  -0.886
  Start of MODEL   11
    1    H    CYS   1           HN       CYS   1  -3.920   2.104  -0.803
    2    HA   CYS   1           HA       CYS   1  -1.393   3.487  -0.380
    3    HB2  CYS   1           HB2      CYS   1  -1.367   2.891  -2.794
    4    HB3  CYS   1           HB1      CYS   1  -2.881   3.763  -3.001
    5    H    PHE   2           HN       PHE   2  -1.709   5.306   0.672
    6    HA   PHE   2           HA       PHE   2  -4.431   6.344   0.917
    7    HB2  PHE   2           HB2      PHE   2  -1.937   6.789   2.554
    8    HB3  PHE   2           HB1      PHE   2  -3.422   7.695   2.813
    9    HD1  PHE   2           HD1      PHE   2  -1.767   4.464   3.168
   10    HD2  PHE   2           HD2      PHE   2  -5.387   6.624   3.752
   11    HE1  PHE   2           HE1      PHE   2  -2.595   2.672   4.637
   12    HE2  PHE   2           HE2      PHE   2  -6.221   4.836   5.222
   13    HZ   PHE   2           HZ       PHE   2  -4.824   2.857   5.666
   14    HA   PRO   3           HA       PRO   3  -3.199   9.769  -1.779
   15    HB2  PRO   3           HB2      PRO   3  -5.671  11.152  -1.101
   16    HB3  PRO   3           HB1      PRO   3  -5.212  10.389  -2.633
   17    HG2  PRO   3           HG2      PRO   3  -7.173   9.423  -1.055
   18    HG3  PRO   3           HG1      PRO   3  -6.165   8.393  -2.090
   19    HD2  PRO   3           HD2      PRO   3  -5.945   8.893   0.853
   20    HD3  PRO   3           HD1      PRO   3  -5.806   7.370  -0.051
   21    H    ASP   4           HN       ASP   4  -4.016  10.104   1.548
   22    HA   ASP   4           HA       ASP   4  -3.088  12.881   1.650
   23    HB2  ASP   4           HB2      ASP   4  -4.523  11.153   3.663
   24    HB3  ASP   4           HB1      ASP   4  -3.863  12.735   4.065
   25    H    GLY   5           HN       GLY   5  -2.089   9.676   2.397
   26    HA2  GLY   5           HA2      GLY   5   0.295  10.737   3.787
   27    HA3  GLY   5           HA1      GLY   5  -0.457   9.212   4.226
   28    H    ARG   6           HN       ARG   6   1.421   8.042   3.884
   29    HA   ARG   6           HA       ARG   6   2.539   7.979   1.177
   30    HB2  ARG   6           HB2      ARG   6   3.510   6.936   3.835
   31    HB3  ARG   6           HB1      ARG   6   4.265   6.459   2.320
   32    HG2  ARG   6           HG2      ARG   6   4.774   8.807   1.841
   33    HG3  ARG   6           HG1      ARG   6   4.033   9.272   3.373
   34    HD2  ARG   6           HD2      ARG   6   5.683   7.930   4.579
   35    HD3  ARG   6           HD1      ARG   6   6.418   7.453   3.049
   36    HE   ARG   6           HE       ARG   6   6.352  10.265   3.234
   37   HH11  ARG   6          HH11      ARG   6   8.064   7.529   4.620
   38   HH12  ARG   6          HH12      ARG   6   9.493   8.448   4.958
   39   HH21  ARG   6          HH21      ARG   6   8.233  11.447   3.686
   40   HH22  ARG   6          HH22      ARG   6   9.586  10.663   4.429
   41    H    CYS   7           HN       CYS   7   3.193   5.734   0.380
   42    HA   CYS   7           HA       CYS   7   1.286   3.649   1.108
   43    HB2  CYS   7           HB2      CYS   7   1.905   4.316  -1.773
   44    HB3  CYS   7           HB1      CYS   7   0.634   3.269  -1.159
   45    H    LYS   8           HN       LYS   8   1.869   1.523   0.303
   46    HA   LYS   8           HA       LYS   8   4.672   1.146  -0.468
   47    HB2  LYS   8           HB2      LYS   8   3.326  -0.061   1.956
   48    HB3  LYS   8           HB1      LYS   8   4.759  -0.774   1.229
   49    HG2  LYS   8           HG2      LYS   8   6.002   1.285   1.646
   50    HG3  LYS   8           HG1      LYS   8   4.562   2.009   2.365
   51    HD2  LYS   8           HD2      LYS   8   4.558   0.269   4.092
   52    HD3  LYS   8           HD1      LYS   8   6.004  -0.443   3.374
   53    HE2  LYS   8           HE2      LYS   8   7.237   1.623   3.809
   54    HE3  LYS   8           HE1      LYS   8   5.791   2.340   4.519
   55    HZ1  LYS   8           HZ1      LYS   8   7.222  -0.052   5.549
   56    HZ2  LYS   8           HZ2      LYS   8   5.832   0.631   6.230
   57    HZ3  LYS   8           HZ3      LYS   8   7.283   1.501   6.219
   58    H    ARG   9           HN       ARG   9   5.012  -1.359  -0.878
   59    HA   ARG   9           HA       ARG   9   2.602  -2.570  -2.015
   60    HB2  ARG   9           HB2      ARG   9   5.125  -1.948  -3.550
   61    HB3  ARG   9           HB1      ARG   9   3.994  -3.184  -4.078
   62    HG2  ARG   9           HG2      ARG   9   2.224  -1.507  -4.232
   63    HG3  ARG   9           HG1      ARG   9   3.357  -0.264  -3.694
   64    HD2  ARG   9           HD2      ARG   9   4.747  -0.682  -5.664
   65    HD3  ARG   9           HD1      ARG   9   3.619  -1.929  -6.197
   66    HE   ARG   9           HE       ARG   9   2.223   0.484  -5.830
   67   HH11  ARG   9          HH11      ARG   9   4.572  -0.920  -8.032
   68   HH12  ARG   9          HH12      ARG   9   4.072   0.059  -9.371
   69   HH21  ARG   9          HH21      ARG   9   1.586   1.754  -7.596
   70   HH22  ARG   9          HH22      ARG   9   2.383   1.571  -9.123
   71    HA   PRO  10           HA       PRO  10   5.281  -5.716   0.149
   72    HB2  PRO  10           HB2      PRO  10   3.044  -6.322   1.883
   73    HB3  PRO  10           HB1      PRO  10   4.604  -5.610   2.325
   74    HG2  PRO  10           HG2      PRO  10   2.241  -4.267   2.471
   75    HG3  PRO  10           HG1      PRO  10   3.816  -3.483   2.240
   76    HD2  PRO  10           HD2      PRO  10   1.723  -4.139   0.203
   77    HD3  PRO  10           HD1      PRO  10   2.714  -2.673   0.371
   78    HA   PRO  11           HA       PRO  11   3.433  -9.243  -1.913
   79    HB2  PRO  11           HB2      PRO  11   3.959 -11.064   0.344
   80    HB3  PRO  11           HB1      PRO  11   4.664 -11.064  -1.283
   81    HG2  PRO  11           HG2      PRO  11   6.101 -10.386   0.859
   82    HG3  PRO  11           HG1      PRO  11   6.335  -9.602  -0.717
   83    HD2  PRO  11           HD2      PRO  11   4.852  -8.598   1.682
   84    HD3  PRO  11           HD1      PRO  11   5.962  -7.734   0.598
   85    H    GLY  12           HN       GLY  12   1.295  -9.237  -2.155
   86    HA2  GLY  12           HA2      GLY  12  -0.419 -10.727  -0.466
   87    HA3  GLY  12           HA1      GLY  12  -0.642  -9.015  -0.158
   88    H    PHE  13           HN       PHE  13   0.276  -9.475  -3.352
   89    HA   PHE  13           HA       PHE  13  -0.721  -9.469  -5.381
   90    HB2  PHE  13           HB2      PHE  13  -3.084 -10.649  -3.914
   91    HB3  PHE  13           HB1      PHE  13  -3.034 -10.414  -5.657
   92    HD1  PHE  13           HD1      PHE  13  -1.755 -12.358  -2.843
   93    HD2  PHE  13           HD2      PHE  13  -1.617 -11.790  -7.059
   94    HE1  PHE  13           HE1      PHE  13  -0.651 -14.542  -3.097
   95    HE2  PHE  13           HE2      PHE  13  -0.512 -13.972  -7.321
   96    HZ   PHE  13           HZ       PHE  13  -0.028 -15.352  -5.339
   97    H    SER  14           HN       SER  14  -2.773  -8.107  -2.825
   98    HA   SER  14           HA       SER  14  -3.404  -5.885  -4.648
   99    HB2  SER  14           HB2      SER  14  -5.648  -5.728  -3.498
  100    HB3  SER  14           HB1      SER  14  -5.433  -7.198  -4.448
  101    HG   SER  14           HG       SER  14  -6.075  -8.063  -2.621
  102    HA   PRO  15           HA       PRO  15  -1.540  -4.025  -0.850
  103    HB2  PRO  15           HB2      PRO  15  -0.100  -2.076  -2.030
  104    HB3  PRO  15           HB1      PRO  15   0.459  -3.760  -2.000
  105    HG2  PRO  15           HG2      PRO  15  -0.813  -2.232  -4.213
  106    HG3  PRO  15           HG1      PRO  15   0.531  -3.392  -4.264
  107    HD2  PRO  15           HD2      PRO  15  -2.078  -4.028  -4.913
  108    HD3  PRO  15           HD1      PRO  15  -0.870  -5.207  -4.369
  109    H    LEU  16           HN       LEU  16  -1.421  -1.575  -0.188
  110    HA   LEU  16           HA       LEU  16  -3.883  -0.218  -1.077
  111    HB2  LEU  16           HB2      LEU  16  -2.795  -0.522   1.719
  112    HB3  LEU  16           HB1      LEU  16  -4.032   0.645   1.300
  113    HG   LEU  16           HG       LEU  16  -5.259  -1.516   0.365
  114   HD11  LEU  16          HD11      LEU  16  -3.427  -3.049   0.846
  115   HD12  LEU  16          HD12      LEU  16  -4.855  -3.452   1.800
  116   HD13  LEU  16          HD13      LEU  16  -3.499  -2.614   2.553
  117   HD21  LEU  16          HD21      LEU  16  -6.404  -1.693   2.530
  118   HD22  LEU  16          HD22      LEU  16  -6.153  -0.016   2.048
  119   HD23  LEU  16          HD23      LEU  16  -5.119  -0.745   3.277
  Start of MODEL   12
    1    H    CYS   1           HN       CYS   1  -3.987   2.231  -0.561
    2    HA   CYS   1           HA       CYS   1  -1.409   3.519  -0.229
    3    HB2  CYS   1           HB2      CYS   1  -2.975   3.627  -2.773
    4    HB3  CYS   1           HB1      CYS   1  -2.054   5.040  -2.264
    5    H    PHE   2           HN       PHE   2  -1.517   5.363   0.857
    6    HA   PHE   2           HA       PHE   2  -3.975   6.162   2.044
    7    HB2  PHE   2           HB2      PHE   2  -1.199   7.325   2.074
    8    HB3  PHE   2           HB1      PHE   2  -2.537   8.110   2.905
    9    HD1  PHE   2           HD1      PHE   2  -0.291   5.229   2.869
   10    HD2  PHE   2           HD2      PHE   2  -3.527   7.126   4.880
   11    HE1  PHE   2           HE1      PHE   2   0.074   3.776   4.820
   12    HE2  PHE   2           HE2      PHE   2  -3.167   5.677   6.835
   13    HZ   PHE   2           HZ       PHE   2  -1.364   3.998   6.806
   14    HA   PRO   3           HA       PRO   3  -5.490   9.263  -0.795
   15    HB2  PRO   3           HB2      PRO   3  -6.288  11.054   1.384
   16    HB3  PRO   3           HB1      PRO   3  -7.307  10.125   0.271
   17    HG2  PRO   3           HG2      PRO   3  -7.136   9.519   2.872
   18    HG3  PRO   3           HG1      PRO   3  -7.349   8.279   1.620
   19    HD2  PRO   3           HD2      PRO   3  -4.850   9.090   3.058
   20    HD3  PRO   3           HD1      PRO   3  -5.454   7.466   2.672
   21    H    ASP   4           HN       ASP   4  -3.017  10.068   1.406
   22    HA   ASP   4           HA       ASP   4  -2.647  12.782   0.402
   23    HB2  ASP   4           HB2      ASP   4  -1.230  11.172   2.527
   24    HB3  ASP   4           HB1      ASP   4  -0.683  12.765   2.014
   25    H    GLY   5           HN       GLY   5  -1.649   9.648  -0.395
   26    HA2  GLY   5           HA2      GLY   5  -0.437   9.197  -2.397
   27    HA3  GLY   5           HA1      GLY   5   0.416  10.720  -2.190
   28    H    ARG   6           HN       ARG   6  -0.114   8.075   0.119
   29    HA   ARG   6           HA       ARG   6   2.776   7.537   0.133
   30    HB2  ARG   6           HB2      ARG   6   1.014   8.092   2.516
   31    HB3  ARG   6           HB1      ARG   6   2.538   7.230   2.663
   32    HG2  ARG   6           HG2      ARG   6   3.718   9.169   1.744
   33    HG3  ARG   6           HG1      ARG   6   2.185  10.034   1.620
   34    HD2  ARG   6           HD2      ARG   6   1.895   9.864   4.043
   35    HD3  ARG   6           HD1      ARG   6   3.423   8.994   4.166
   36    HE   ARG   6           HE       ARG   6   3.844  11.463   2.877
   37   HH11  ARG   6          HH11      ARG   6   3.140  10.200   6.077
   38   HH12  ARG   6          HH12      ARG   6   3.890  11.532   6.893
   39   HH21  ARG   6          HH21      ARG   6   4.821  13.195   3.965
   40   HH22  ARG   6          HH22      ARG   6   4.840  13.225   5.697
   41    H    CYS   7           HN       CYS   7   3.273   5.463   0.023
   42    HA   CYS   7           HA       CYS   7   1.403   3.426   0.957
   43    HB2  CYS   7           HB2      CYS   7   2.779   2.996  -1.682
   44    HB3  CYS   7           HB1      CYS   7   1.306   2.253  -1.070
   45    H    LYS   8           HN       LYS   8   2.694   1.121   0.472
   46    HA   LYS   8           HA       LYS   8   5.491   1.471   1.261
   47    HB2  LYS   8           HB2      LYS   8   3.427  -0.053   2.829
   48    HB3  LYS   8           HB1      LYS   8   5.147  -0.375   2.992
   49    HG2  LYS   8           HG2      LYS   8   5.514   1.942   3.690
   50    HG3  LYS   8           HG1      LYS   8   3.784   2.256   3.535
   51    HD2  LYS   8           HD2      LYS   8   3.325   0.573   5.251
   52    HD3  LYS   8           HD1      LYS   8   5.054   0.249   5.398
   53    HE2  LYS   8           HE2      LYS   8   5.422   2.562   6.112
   54    HE3  LYS   8           HE1      LYS   8   3.694   2.881   5.968
   55    HZ1  LYS   8           HZ1      LYS   8   4.943   0.926   7.822
   56    HZ2  LYS   8           HZ2      LYS   8   3.285   1.229   7.684
   57    HZ3  LYS   8           HZ3      LYS   8   4.320   2.438   8.254
   58    H    ARG   9           HN       ARG   9   2.986  -0.683   0.088
   59    HA   ARG   9           HA       ARG   9   5.036  -2.217  -1.333
   60    HB2  ARG   9           HB2      ARG   9   2.932  -3.415   0.474
   61    HB3  ARG   9           HB1      ARG   9   3.741  -4.349  -0.774
   62    HG2  ARG   9           HG2      ARG   9   5.389  -2.870   1.225
   63    HG3  ARG   9           HG1      ARG   9   4.606  -4.380   1.695
   64    HD2  ARG   9           HD2      ARG   9   5.700  -5.519  -0.184
   65    HD3  ARG   9           HD1      ARG   9   6.494  -4.010  -0.631
   66    HE   ARG   9           HE       ARG   9   7.152  -4.489   2.013
   67   HH11  ARG   9          HH11      ARG   9   7.676  -6.112  -1.057
   68   HH12  ARG   9          HH12      ARG   9   9.165  -6.839  -0.549
   69   HH21  ARG   9          HH21      ARG   9   9.101  -5.451   2.656
   70   HH22  ARG   9          HH22      ARG   9   9.969  -6.465   1.551
   71    HA   PRO  10           HA       PRO  10   1.391  -0.892  -4.038
   72    HB2  PRO  10           HB2      PRO  10   3.621  -0.500  -5.959
   73    HB3  PRO  10           HB1      PRO  10   2.247   0.551  -5.587
   74    HG2  PRO  10           HG2      PRO  10   4.702   1.136  -4.741
   75    HG3  PRO  10           HG1      PRO  10   3.261   1.499  -3.772
   76    HD2  PRO  10           HD2      PRO  10   5.276  -0.665  -3.410
   77    HD3  PRO  10           HD1      PRO  10   4.372   0.255  -2.197
   78    HA   PRO  11           HA       PRO  11   2.516  -4.406  -7.055
   79    HB2  PRO  11           HB2      PRO  11   5.098  -5.562  -6.741
   80    HB3  PRO  11           HB1      PRO  11   4.560  -4.482  -8.038
   81    HG2  PRO  11           HG2      PRO  11   6.481  -3.868  -6.144
   82    HG3  PRO  11           HG1      PRO  11   5.599  -2.697  -7.141
   83    HD2  PRO  11           HD2      PRO  11   5.112  -3.509  -4.309
   84    HD3  PRO  11           HD1      PRO  11   4.966  -1.916  -5.075
   85    H    GLY  12           HN       GLY  12   1.541  -6.295  -6.694
   86    HA2  GLY  12           HA2      GLY  12   2.523  -8.462  -5.267
   87    HA3  GLY  12           HA1      GLY  12   1.512  -7.548  -4.156
   88    H    PHE  13           HN       PHE  13  -0.656  -7.602  -4.347
   89    HA   PHE  13           HA       PHE  13  -1.950  -8.857  -6.630
   90    HB2  PHE  13           HB2      PHE  13  -2.105 -10.022  -3.838
   91    HB3  PHE  13           HB1      PHE  13  -3.275 -10.392  -5.099
   92    HD1  PHE  13           HD1      PHE  13  -2.591 -11.679  -7.082
   93    HD2  PHE  13           HD2      PHE  13   0.070 -10.990  -3.832
   94    HE1  PHE  13           HE1      PHE  13  -1.137 -13.490  -7.894
   95    HE2  PHE  13           HE2      PHE  13   1.529 -12.800  -4.639
   96    HZ   PHE  13           HZ       PHE  13   0.926 -14.052  -6.672
   97    H    SER  14           HN       SER  14  -2.484  -7.704  -3.303
   98    HA   SER  14           HA       SER  14  -4.585  -5.910  -4.284
   99    HB2  SER  14           HB2      SER  14  -4.818  -7.673  -1.825
  100    HB3  SER  14           HB1      SER  14  -5.979  -6.434  -2.302
  101    HG   SER  14           HG       SER  14  -5.525  -8.064  -4.373
  102    HA   PRO  15           HA       PRO  15  -1.506  -3.719  -1.570
  103    HB2  PRO  15           HB2      PRO  15  -0.912  -1.666  -3.207
  104    HB3  PRO  15           HB1      PRO  15  -0.178  -3.267  -3.421
  105    HG2  PRO  15           HG2      PRO  15  -2.427  -2.006  -4.910
  106    HG3  PRO  15           HG1      PRO  15  -1.065  -2.969  -5.522
  107    HD2  PRO  15           HD2      PRO  15  -3.588  -3.998  -5.087
  108    HD3  PRO  15           HD1      PRO  15  -2.105  -4.971  -5.065
  109    H    LEU  16           HN       LEU  16  -1.434  -1.335  -0.930
  110    HA   LEU  16           HA       LEU  16  -4.054  -0.027  -0.996
  111    HB2  LEU  16           HB2      LEU  16  -2.506  -0.696   1.513
  112    HB3  LEU  16           HB1      LEU  16  -3.829   0.451   1.465
  113    HG   LEU  16           HG       LEU  16  -4.318  -2.338   0.505
  114   HD11  LEU  16          HD11      LEU  16  -4.872  -3.030   2.791
  115   HD12  LEU  16          HD12      LEU  16  -4.228  -1.506   3.402
  116   HD13  LEU  16          HD13      LEU  16  -3.156  -2.663   2.613
  117   HD21  LEU  16          HD21      LEU  16  -6.001  -0.315   1.986
  118   HD22  LEU  16          HD22      LEU  16  -6.547  -1.890   1.411
  119   HD23  LEU  16          HD23      LEU  16  -6.065  -0.649   0.255
  Start of MODEL   13
    1    H    CYS   1           HN       CYS   1  -3.691   1.952   0.242
    2    HA   CYS   1           HA       CYS   1  -1.284   3.509  -0.005
    3    HB2  CYS   1           HB2      CYS   1  -1.599   2.592  -2.338
    4    HB3  CYS   1           HB1      CYS   1  -3.128   3.460  -2.403
    5    H    PHE   2           HN       PHE   2  -1.626   5.461   0.813
    6    HA   PHE   2           HA       PHE   2  -4.353   6.228   1.486
    7    HB2  PHE   2           HB2      PHE   2  -1.662   7.308   2.327
    8    HB3  PHE   2           HB1      PHE   2  -3.182   8.056   2.803
    9    HD1  PHE   2           HD1      PHE   2  -0.971   5.183   3.245
   10    HD2  PHE   2           HD2      PHE   2  -4.651   6.981   4.400
   11    HE1  PHE   2           HE1      PHE   2  -1.119   3.643   5.158
   12    HE2  PHE   2           HE2      PHE   2  -4.805   5.444   6.315
   13    HZ   PHE   2           HZ       PHE   2  -3.038   3.773   6.696
   14    HA   PRO   3           HA       PRO   3  -4.666   9.393  -1.657
   15    HB2  PRO   3           HB2      PRO   3  -6.138  11.207   0.087
   16    HB3  PRO   3           HB1      PRO   3  -6.740  10.252  -1.279
   17    HG2  PRO   3           HG2      PRO   3  -7.440   9.736   1.269
   18    HG3  PRO   3           HG1      PRO   3  -7.310   8.474   0.027
   19    HD2  PRO   3           HD2      PRO   3  -5.361   9.207   2.180
   20    HD3  PRO   3           HD1      PRO   3  -5.877   7.603   1.620
   21    H    ASP   4           HN       ASP   4  -3.663  10.440   1.514
   22    HA   ASP   4           HA       ASP   4  -1.949  12.493   0.292
   23    HB2  ASP   4           HB2      ASP   4  -3.653  12.779   2.774
   24    HB3  ASP   4           HB1      ASP   4  -2.324  13.870   2.393
   25    H    GLY   5           HN       GLY   5   0.110  12.104   0.687
   26    HA2  GLY   5           HA2      GLY   5   1.794  11.951   2.522
   27    HA3  GLY   5           HA1      GLY   5   0.832  10.616   3.137
   28    H    ARG   6           HN       ARG   6   1.717   8.715   2.769
   29    HA   ARG   6           HA       ARG   6   2.972   8.179   0.169
   30    HB2  ARG   6           HB2      ARG   6   4.197   7.698   2.885
   31    HB3  ARG   6           HB1      ARG   6   4.730   6.826   1.454
   32    HG2  ARG   6           HG2      ARG   6   5.296   8.970   0.385
   33    HG3  ARG   6           HG1      ARG   6   4.814   9.811   1.858
   34    HD2  ARG   6           HD2      ARG   6   7.155   9.616   1.990
   35    HD3  ARG   6           HD1      ARG   6   6.523   8.370   3.062
   36    HE   ARG   6           HE       ARG   6   6.885   7.147   0.618
   37   HH11  ARG   6          HH11      ARG   6   8.966   8.773   2.933
   38   HH12  ARG   6          HH12      ARG   6  10.364   7.845   2.503
   39   HH21  ARG   6          HH21      ARG   6   8.727   5.945   0.071
   40   HH22  ARG   6          HH22      ARG   6  10.227   6.245   0.883
   41    H    CYS   7           HN       CYS   7   3.349   5.795  -0.157
   42    HA   CYS   7           HA       CYS   7   1.482   4.069   1.275
   43    HB2  CYS   7           HB2      CYS   7   1.715   4.122  -1.742
   44    HB3  CYS   7           HB1      CYS   7   0.562   3.212  -0.781
   45    H    LYS   8           HN       LYS   8   1.878   1.737   0.826
   46    HA   LYS   8           HA       LYS   8   4.569   1.110  -0.154
   47    HB2  LYS   8           HB2      LYS   8   3.523   0.432   2.600
   48    HB3  LYS   8           HB1      LYS   8   4.852  -0.444   1.854
   49    HG2  LYS   8           HG2      LYS   8   6.147   1.623   1.719
   50    HG3  LYS   8           HG1      LYS   8   4.810   2.506   2.461
   51    HD2  LYS   8           HD2      LYS   8   5.017   1.125   4.472
   52    HD3  LYS   8           HD1      LYS   8   6.353   0.243   3.729
   53    HE2  LYS   8           HE2      LYS   8   7.649   2.314   3.607
   54    HE3  LYS   8           HE1      LYS   8   6.313   3.195   4.346
   55    HZ1  LYS   8           HZ1      LYS   8   6.562   1.836   6.329
   56    HZ2  LYS   8           HZ2      LYS   8   8.008   2.637   5.970
   57    HZ3  LYS   8           HZ3      LYS   8   7.844   0.990   5.619
   58    H    ARG   9           HN       ARG   9   4.190  -0.270  -1.748
   59    HA   ARG   9           HA       ARG   9   2.449  -2.576  -1.253
   60    HB2  ARG   9           HB2      ARG   9   2.338  -0.988  -3.827
   61    HB3  ARG   9           HB1      ARG   9   1.368  -2.389  -3.416
   62    HG2  ARG   9           HG2      ARG   9  -0.180  -0.805  -2.945
   63    HG3  ARG   9           HG1      ARG   9   0.667  -0.755  -1.401
   64    HD2  ARG   9           HD2      ARG   9   0.416   1.486  -2.116
   65    HD3  ARG   9           HD1      ARG   9   2.108   1.063  -2.369
   66    HE   ARG   9           HE       ARG   9   0.437   0.685  -4.687
   67   HH11  ARG   9          HH11      ARG   9   2.433   3.002  -2.959
   68   HH12  ARG   9          HH12      ARG   9   2.711   3.980  -4.359
   69   HH21  ARG   9          HH21      ARG   9   0.815   1.982  -6.507
   70   HH22  ARG   9          HH22      ARG   9   1.795   3.402  -6.367
   71    HA   PRO  10           HA       PRO  10   5.742  -4.746  -3.394
   72    HB2  PRO  10           HB2      PRO  10   3.961  -6.817  -4.389
   73    HB3  PRO  10           HB1      PRO  10   5.106  -6.910  -3.040
   74    HG2  PRO  10           HG2      PRO  10   2.419  -7.007  -2.712
   75    HG3  PRO  10           HG1      PRO  10   3.536  -6.375  -1.485
   76    HD2  PRO  10           HD2      PRO  10   1.842  -4.872  -3.443
   77    HD3  PRO  10           HD1      PRO  10   2.151  -4.539  -1.726
   78    HA   PRO  11           HA       PRO  11   5.586  -3.823  -7.778
   79    HB2  PRO  11           HB2      PRO  11   6.993  -6.284  -8.551
   80    HB3  PRO  11           HB1      PRO  11   7.558  -4.605  -8.621
   81    HG2  PRO  11           HG2      PRO  11   8.578  -6.367  -6.885
   82    HG3  PRO  11           HG1      PRO  11   8.394  -4.645  -6.491
   83    HD2  PRO  11           HD2      PRO  11   6.661  -6.953  -5.691
   84    HD3  PRO  11           HD1      PRO  11   7.233  -5.581  -4.719
   85    H    GLY  12           HN       GLY  12   3.663  -3.937  -8.749
   86    HA2  GLY  12           HA2      GLY  12   2.573  -5.210 -10.600
   87    HA3  GLY  12           HA1      GLY  12   2.634  -6.598  -9.527
   88    H    PHE  13           HN       PHE  13   1.592  -6.045  -7.271
   89    HA   PHE  13           HA       PHE  13  -1.111  -5.082  -7.870
   90    HB2  PHE  13           HB2      PHE  13  -0.015  -6.834  -5.666
   91    HB3  PHE  13           HB1      PHE  13  -1.669  -6.232  -5.674
   92    HD1  PHE  13           HD1      PHE  13  -3.294  -7.078  -7.254
   93    HD2  PHE  13           HD2      PHE  13   0.708  -8.527  -7.235
   94    HE1  PHE  13           HE1      PHE  13  -3.981  -8.985  -8.648
   95    HE2  PHE  13           HE2      PHE  13   0.028 -10.436  -8.631
   96    HZ   PHE  13           HZ       PHE  13  -2.319 -10.667  -9.339
   97    H    SER  14           HN       SER  14  -2.289  -3.875  -6.211
   98    HA   SER  14           HA       SER  14  -0.585  -2.167  -4.542
   99    HB2  SER  14           HB2      SER  14  -2.076  -0.222  -5.160
  100    HB3  SER  14           HB1      SER  14  -1.114  -0.834  -6.505
  101    HG   SER  14           HG       SER  14  -2.890  -1.323  -7.503
  102    HA   PRO  15           HA       PRO  15  -4.029  -3.875  -1.981
  103    HB2  PRO  15           HB2      PRO  15  -2.152  -4.174   0.195
  104    HB3  PRO  15           HB1      PRO  15  -3.001  -5.437  -0.712
  105    HG2  PRO  15           HG2      PRO  15  -0.321  -5.058  -0.843
  106    HG3  PRO  15           HG1      PRO  15  -1.287  -5.746  -2.165
  107    HD2  PRO  15           HD2      PRO  15  -0.268  -2.935  -1.846
  108    HD3  PRO  15           HD1      PRO  15  -0.311  -3.963  -3.298
  109    H    LEU  16           HN       LEU  16  -1.554  -1.663  -0.688
  110    HA   LEU  16           HA       LEU  16  -3.730  -0.134   0.566
  111    HB2  LEU  16           HB2      LEU  16  -1.177  -1.012   1.899
  112    HB3  LEU  16           HB1      LEU  16  -2.185   0.275   2.528
  113    HG   LEU  16           HG       LEU  16  -3.413  -2.406   2.026
  114   HD11  LEU  16          HD11      LEU  16  -1.372  -2.916   3.246
  115   HD12  LEU  16          HD12      LEU  16  -2.784  -3.115   4.283
  116   HD13  LEU  16          HD13      LEU  16  -1.764  -1.685   4.446
  117   HD21  LEU  16          HD21      LEU  16  -4.840  -0.527   2.663
  118   HD22  LEU  16          HD22      LEU  16  -3.863  -0.265   4.107
  119   HD23  LEU  16          HD23      LEU  16  -4.799  -1.750   3.933
  Start of MODEL   14
    1    H    CYS   1           HN       CYS   1  -4.381   2.248  -0.423
    2    HA   CYS   1           HA       CYS   1  -1.987   3.900  -0.557
    3    HB2  CYS   1           HB2      CYS   1  -4.033   3.854  -2.677
    4    HB3  CYS   1           HB1      CYS   1  -3.631   5.459  -2.077
    5    H    PHE   2           HN       PHE   2  -2.047   5.465   0.894
    6    HA   PHE   2           HA       PHE   2  -4.484   5.882   2.430
    7    HB2  PHE   2           HB2      PHE   2  -1.610   6.706   2.868
    8    HB3  PHE   2           HB1      PHE   2  -2.920   7.214   3.929
    9    HD1  PHE   2           HD1      PHE   2  -0.837   4.416   2.844
   10    HD2  PHE   2           HD2      PHE   2  -4.006   5.637   5.409
   11    HE1  PHE   2           HE1      PHE   2  -0.595   2.331   4.128
   12    HE2  PHE   2           HE2      PHE   2  -3.768   3.555   6.700
   13    HZ   PHE   2           HZ       PHE   2  -2.061   1.900   6.059
   14    HA   PRO   3           HA       PRO   3  -5.408   9.916   0.725
   15    HB2  PRO   3           HB2      PRO   3  -6.017  11.093   3.337
   16    HB3  PRO   3           HB1      PRO   3  -7.125  10.661   2.023
   17    HG2  PRO   3           HG2      PRO   3  -7.088   9.332   4.352
   18    HG3  PRO   3           HG1      PRO   3  -7.460   8.541   2.806
   19    HD2  PRO   3           HD2      PRO   3  -4.890   8.548   4.346
   20    HD3  PRO   3           HD1      PRO   3  -5.717   7.201   3.539
   21    H    ASP   4           HN       ASP   4  -2.732   9.519   2.609
   22    HA   ASP   4           HA       ASP   4  -1.997  12.317   2.879
   23    HB2  ASP   4           HB2      ASP   4  -0.602   9.753   3.637
   24    HB3  ASP   4           HB1      ASP   4   0.150  11.335   3.812
   25    H    GLY   5           HN       GLY   5  -1.456   9.690   0.705
   26    HA2  GLY   5           HA2      GLY   5  -0.771  10.352  -1.570
   27    HA3  GLY   5           HA1      GLY   5   0.453  11.359  -0.816
   28    H    ARG   6           HN       ARG   6   0.924   9.080   1.174
   29    HA   ARG   6           HA       ARG   6   2.841   7.649  -0.508
   30    HB2  ARG   6           HB2      ARG   6   2.597   8.022   2.471
   31    HB3  ARG   6           HB1      ARG   6   3.706   6.853   1.768
   32    HG2  ARG   6           HG2      ARG   6   4.828   8.661   0.550
   33    HG3  ARG   6           HG1      ARG   6   3.726   9.827   1.285
   34    HD2  ARG   6           HD2      ARG   6   4.547   9.209   3.502
   35    HD3  ARG   6           HD1      ARG   6   5.640   8.032   2.774
   36    HE   ARG   6           HE       ARG   6   6.110  10.576   1.657
   37   HH11  ARG   6          HH11      ARG   6   6.626   8.834   4.664
   38   HH12  ARG   6          HH12      ARG   6   8.014   9.774   5.103
   39   HH21  ARG   6          HH21      ARG   6   7.928  11.792   2.253
   40   HH22  ARG   6          HH22      ARG   6   8.749  11.447   3.738
   41    H    CYS   7           HN       CYS   7   2.855   5.490  -0.810
   42    HA   CYS   7           HA       CYS   7   0.919   3.801   0.583
   43    HB2  CYS   7           HB2      CYS   7   1.288   3.528  -2.393
   44    HB3  CYS   7           HB1      CYS   7  -0.025   2.925  -1.389
   45    H    LYS   8           HN       LYS   8   1.365   1.486   0.335
   46    HA   LYS   8           HA       LYS   8   4.096   0.802  -0.488
   47    HB2  LYS   8           HB2      LYS   8   2.910   0.322   2.247
   48    HB3  LYS   8           HB1      LYS   8   4.271  -0.607   1.639
   49    HG2  LYS   8           HG2      LYS   8   5.579   1.445   1.415
   50    HG3  LYS   8           HG1      LYS   8   4.210   2.380   2.020
   51    HD2  LYS   8           HD2      LYS   8   4.310   1.155   4.137
   52    HD3  LYS   8           HD1      LYS   8   5.675   0.215   3.530
   53    HE2  LYS   8           HE2      LYS   8   6.989   2.269   3.317
   54    HE3  LYS   8           HE1      LYS   8   5.625   3.206   3.922
   55    HZ1  LYS   8           HZ1      LYS   8   7.233   2.767   5.665
   56    HZ2  LYS   8           HZ2      LYS   8   7.077   1.099   5.429
   57    HZ3  LYS   8           HZ3      LYS   8   5.767   1.996   6.010
   58    H    ARG   9           HN       ARG   9   4.439  -1.543  -0.703
   59    HA   ARG   9           HA       ARG   9   1.993  -3.142  -0.954
   60    HB2  ARG   9           HB2      ARG   9   4.007  -2.723  -3.180
   61    HB3  ARG   9           HB1      ARG   9   2.787  -3.988  -3.190
   62    HG2  ARG   9           HG2      ARG   9   1.034  -2.257  -3.106
   63    HG3  ARG   9           HG1      ARG   9   2.286  -1.017  -3.182
   64    HD2  ARG   9           HD2      ARG   9   3.037  -1.960  -5.339
   65    HD3  ARG   9           HD1      ARG   9   1.709  -3.118  -5.268
   66    HE   ARG   9           HE       ARG   9   0.634  -0.556  -5.006
   67   HH11  ARG   9          HH11      ARG   9   2.263  -2.455  -7.470
   68   HH12  ARG   9          HH12      ARG   9   1.493  -1.626  -8.782
   69   HH21  ARG   9          HH21      ARG   9  -0.362   0.516  -6.738
   70   HH22  ARG   9          HH22      ARG   9   0.008   0.055  -8.366
   71    HA   PRO  10           HA       PRO  10   5.581  -5.339   1.209
   72    HB2  PRO  10           HB2      PRO  10   3.275  -6.437   2.731
   73    HB3  PRO  10           HB1      PRO  10   4.829  -5.822   3.314
   74    HG2  PRO  10           HG2      PRO  10   2.595  -4.409   3.601
   75    HG3  PRO  10           HG1      PRO  10   4.157  -3.636   3.268
   76    HD2  PRO  10           HD2      PRO  10   1.853  -4.084   1.437
   77    HD3  PRO  10           HD1      PRO  10   3.005  -2.742   1.499
   78    HA   PRO  11           HA       PRO  11   3.659  -9.516  -0.079
   79    HB2  PRO  11           HB2      PRO  11   0.998  -9.352  -1.124
   80    HB3  PRO  11           HB1      PRO  11   1.516 -10.088   0.401
   81    HG2  PRO  11           HG2      PRO  11  -0.064  -7.852   0.214
   82    HG3  PRO  11           HG1      PRO  11   0.922  -8.283   1.624
   83    HD2  PRO  11           HD2      PRO  11   1.511  -6.329  -0.562
   84    HD3  PRO  11           HD1      PRO  11   1.818  -6.204   1.180
   85    H    GLY  12           HN       GLY  12   2.148  -7.094  -2.155
   86    HA2  GLY  12           HA2      GLY  12   2.816  -6.529  -4.347
   87    HA3  GLY  12           HA1      GLY  12   3.719  -8.032  -4.435
   88    H    PHE  13           HN       PHE  13   0.411  -8.016  -3.332
   89    HA   PHE  13           HA       PHE  13  -0.525  -9.003  -5.942
   90    HB2  PHE  13           HB2      PHE  13  -0.975 -10.300  -3.249
   91    HB3  PHE  13           HB1      PHE  13  -1.928 -10.688  -4.676
   92    HD1  PHE  13           HD1      PHE  13  -0.966 -11.933  -6.516
   93    HD2  PHE  13           HD2      PHE  13   1.330 -10.998  -3.057
   94    HE1  PHE  13           HE1      PHE  13   0.721 -13.591  -7.193
   95    HE2  PHE  13           HE2      PHE  13   3.023 -12.653  -3.728
   96    HZ   PHE  13           HZ       PHE  13   2.719 -13.952  -5.799
   97    H    SER  14           HN       SER  14  -1.328  -7.627  -2.802
   98    HA   SER  14           HA       SER  14  -3.746  -6.433  -3.973
   99    HB2  SER  14           HB2      SER  14  -4.778  -6.585  -1.669
  100    HB3  SER  14           HB1      SER  14  -4.502  -8.152  -2.430
  101    HG   SER  14           HG       SER  14  -3.182  -8.636  -0.875
  102    HA   PRO  15           HA       PRO  15  -1.059  -3.015  -2.446
  103    HB2  PRO  15           HB2      PRO  15  -1.676  -1.149  -4.270
  104    HB3  PRO  15           HB1      PRO  15  -0.611  -2.510  -4.669
  105    HG2  PRO  15           HG2      PRO  15  -3.507  -2.149  -5.266
  106    HG3  PRO  15           HG1      PRO  15  -2.199  -2.721  -6.325
  107    HD2  PRO  15           HD2      PRO  15  -3.916  -4.420  -5.036
  108    HD3  PRO  15           HD1      PRO  15  -2.251  -4.862  -5.464
  109    H    LEU  16           HN       LEU  16  -1.499  -0.715  -1.873
  110    HA   LEU  16           HA       LEU  16  -4.236   0.034  -1.278
  111    HB2  LEU  16           HB2      LEU  16  -2.229  -0.547   0.908
  112    HB3  LEU  16           HB1      LEU  16  -3.664   0.424   1.162
  113    HG   LEU  16           HG       LEU  16  -3.984  -2.341   0.073
  114   HD11  LEU  16          HD11      LEU  16  -4.058  -3.236   2.354
  115   HD12  LEU  16          HD12      LEU  16  -3.502  -1.683   2.976
  116   HD13  LEU  16          HD13      LEU  16  -2.452  -2.643   1.933
  117   HD21  LEU  16          HD21      LEU  16  -5.929  -0.873   0.245
  118   HD22  LEU  16          HD22      LEU  16  -5.612  -0.641   1.964
  119   HD23  LEU  16          HD23      LEU  16  -6.064  -2.234   1.358
  Start of MODEL   15
    1    H    CYS   1           HN       CYS   1  -3.456   2.195  -0.776
    2    HA   CYS   1           HA       CYS   1  -1.034   3.775  -0.450
    3    HB2  CYS   1           HB2      CYS   1  -1.898   3.074  -3.033
    4    HB3  CYS   1           HB1      CYS   1  -2.402   4.743  -2.799
    5    H    PHE   2           HN       PHE   2  -1.459   5.474   0.730
    6    HA   PHE   2           HA       PHE   2  -4.207   6.198   1.290
    7    HB2  PHE   2           HB2      PHE   2  -1.568   7.139   2.389
    8    HB3  PHE   2           HB1      PHE   2  -3.096   7.872   2.863
    9    HD1  PHE   2           HD1      PHE   2  -4.682   6.666   4.238
   10    HD2  PHE   2           HD2      PHE   2  -0.980   4.903   3.097
   11    HE1  PHE   2           HE1      PHE   2  -4.985   4.929   5.952
   12    HE2  PHE   2           HE2      PHE   2  -1.277   3.162   4.809
   13    HZ   PHE   2           HZ       PHE   2  -3.282   3.173   6.240
   14    HA   PRO   3           HA       PRO   3  -4.374   9.754  -1.419
   15    HB2  PRO   3           HB2      PRO   3  -6.251  11.178   0.251
   16    HB3  PRO   3           HB1      PRO   3  -6.580  10.244  -1.216
   17    HG2  PRO   3           HG2      PRO   3  -7.440   9.515   1.263
   18    HG3  PRO   3           HG1      PRO   3  -7.148   8.375  -0.065
   19    HD2  PRO   3           HD2      PRO   3  -5.399   9.034   2.271
   20    HD3  PRO   3           HD1      PRO   3  -5.749   7.460   1.527
   21    H    ASP   4           HN       ASP   4  -3.292  10.108   1.792
   22    HA   ASP   4           HA       ASP   4  -2.808  12.967   1.647
   23    HB2  ASP   4           HB2      ASP   4  -2.195  10.887   3.746
   24    HB3  ASP   4           HB1      ASP   4  -1.679  12.565   3.887
   25    H    GLY   5           HN       GLY   5  -1.147  10.083   0.848
   26    HA2  GLY   5           HA2      GLY   5   0.799  10.328  -0.613
   27    HA3  GLY   5           HA1      GLY   5   1.345  11.619   0.446
   28    H    ARG   6           HN       ARG   6   0.064   8.440   1.356
   29    HA   ARG   6           HA       ARG   6   2.724   7.696   2.359
   30    HB2  ARG   6           HB2      ARG   6   0.110   7.594   3.856
   31    HB3  ARG   6           HB1      ARG   6   1.480   6.594   4.315
   32    HG2  ARG   6           HG2      ARG   6   2.830   8.602   4.657
   33    HG3  ARG   6           HG1      ARG   6   1.452   9.604   4.200
   34    HD2  ARG   6           HD2      ARG   6   0.176   8.703   6.085
   35    HD3  ARG   6           HD1      ARG   6   1.556   7.706   6.542
   36    HE   ARG   6           HE       ARG   6   2.401  10.368   6.431
   37   HH11  ARG   6          HH11      ARG   6   0.275   8.379   8.397
   38   HH12  ARG   6          HH12      ARG   6   0.496   9.346   9.817
   39   HH21  ARG   6          HH21      ARG   6   2.675  11.618   8.302
   40   HH22  ARG   6          HH22      ARG   6   1.853  11.177   9.762
   41    H    CYS   7           HN       CYS   7   3.327   6.028   1.215
   42    HA   CYS   7           HA       CYS   7   1.584   3.719   0.934
   43    HB2  CYS   7           HB2      CYS   7   2.044   5.414  -1.182
   44    HB3  CYS   7           HB1      CYS   7   3.321   4.223  -1.393
   45    H    LYS   8           HN       LYS   8   2.608   1.743   0.999
   46    HA   LYS   8           HA       LYS   8   5.537   1.695   1.176
   47    HB2  LYS   8           HB2      LYS   8   3.637   0.739   3.317
   48    HB3  LYS   8           HB1      LYS   8   5.286   0.144   3.202
   49    HG2  LYS   8           HG2      LYS   8   6.134   2.417   3.484
   50    HG3  LYS   8           HG1      LYS   8   4.478   3.021   3.587
   51    HD2  LYS   8           HD2      LYS   8   4.108   1.653   5.586
   52    HD3  LYS   8           HD1      LYS   8   5.766   1.054   5.482
   53    HE2  LYS   8           HE2      LYS   8   6.604   3.334   5.775
   54    HE3  LYS   8           HE1      LYS   8   4.949   3.933   5.873
   55    HZ1  LYS   8           HZ1      LYS   8   4.624   2.597   7.861
   56    HZ2  LYS   8           HZ2      LYS   8   5.920   3.662   8.065
   57    HZ3  LYS   8           HZ3      LYS   8   6.212   2.023   7.766
   58    H    ARG   9           HN       ARG   9   3.172   0.623  -0.561
   59    HA   ARG   9           HA       ARG   9   4.334  -2.039  -0.939
   60    HB2  ARG   9           HB2      ARG   9   1.403  -1.447  -0.565
   61    HB3  ARG   9           HB1      ARG   9   1.965  -2.898  -1.382
   62    HG2  ARG   9           HG2      ARG   9   3.189  -3.551   0.642
   63    HG3  ARG   9           HG1      ARG   9   2.585  -2.108   1.458
   64    HD2  ARG   9           HD2      ARG   9   0.289  -2.898   1.142
   65    HD3  ARG   9           HD1      ARG   9   0.897  -4.339   0.330
   66    HE   ARG   9           HE       ARG   9   2.080  -4.134   2.874
   67   HH11  ARG   9          HH11      ARG   9  -1.037  -4.872   1.435
   68   HH12  ARG   9          HH12      ARG   9  -1.537  -5.876   2.755
   69   HH21  ARG   9          HH21      ARG   9   1.405  -5.452   4.590
   70   HH22  ARG   9          HH22      ARG   9  -0.154  -6.203   4.539
   71    HA   PRO  10           HA       PRO  10   4.322  -0.284  -5.143
   72    HB2  PRO  10           HB2      PRO  10   5.366  -2.956  -5.887
   73    HB3  PRO  10           HB1      PRO  10   6.086  -1.356  -6.148
   74    HG2  PRO  10           HG2      PRO  10   7.100  -3.040  -4.365
   75    HG3  PRO  10           HG1      PRO  10   7.049  -1.290  -4.067
   76    HD2  PRO  10           HD2      PRO  10   5.267  -3.436  -2.989
   77    HD3  PRO  10           HD1      PRO  10   5.964  -2.022  -2.170
   78    HA   PRO  11           HA       PRO  11   0.695  -2.066  -7.086
   79    HB2  PRO  11           HB2      PRO  11   1.953  -2.065  -9.756
   80    HB3  PRO  11           HB1      PRO  11   0.557  -1.141  -9.173
   81    HG2  PRO  11           HG2      PRO  11   2.879   0.048  -9.687
   82    HG3  PRO  11           HG1      PRO  11   1.848   0.559  -8.334
   83    HD2  PRO  11           HD2      PRO  11   4.312  -1.141  -8.283
   84    HD3  PRO  11           HD1      PRO  11   3.827   0.176  -7.196
   85    H    GLY  12           HN       GLY  12  -0.074  -4.066  -7.211
   86    HA2  GLY  12           HA2      GLY  12   1.316  -6.146  -8.692
   87    HA3  GLY  12           HA1      GLY  12   1.211  -6.401  -6.957
   88    H    PHE  13           HN       PHE  13  -0.604  -7.244  -6.114
   89    HA   PHE  13           HA       PHE  13  -2.848  -7.724  -7.957
   90    HB2  PHE  13           HB2      PHE  13  -1.886  -9.306  -5.567
   91    HB3  PHE  13           HB1      PHE  13  -3.419  -9.615  -6.374
   92    HD1  PHE  13           HD1      PHE  13   0.218  -9.856  -6.625
   93    HD2  PHE  13           HD2      PHE  13  -3.489 -10.614  -8.575
   94    HE1  PHE  13           HE1      PHE  13   1.368 -11.320  -8.233
   95    HE2  PHE  13           HE2      PHE  13  -2.345 -12.079 -10.187
   96    HZ   PHE  13           HZ       PHE  13   0.086 -12.435 -10.017
   97    H    SER  14           HN       SER  14  -2.173  -7.115  -4.499
   98    HA   SER  14           HA       SER  14  -4.571  -5.442  -4.372
   99    HB2  SER  14           HB2      SER  14  -3.937  -7.636  -2.376
  100    HB3  SER  14           HB1      SER  14  -5.229  -6.450  -2.203
  101    HG   SER  14           HG       SER  14  -5.917  -7.317  -4.361
  102    HA   PRO  15           HA       PRO  15  -0.948  -3.464  -2.229
  103    HB2  PRO  15           HB2      PRO  15  -0.723  -1.234  -3.713
  104    HB3  PRO  15           HB1      PRO  15  -0.057  -2.782  -4.267
  105    HG2  PRO  15           HG2      PRO  15  -2.542  -1.386  -5.107
  106    HG3  PRO  15           HG1      PRO  15  -1.377  -2.308  -6.079
  107    HD2  PRO  15           HD2      PRO  15  -3.805  -3.312  -5.140
  108    HD3  PRO  15           HD1      PRO  15  -2.428  -4.301  -5.660
  109    H    LEU  16           HN       LEU  16  -0.789  -1.111  -1.368
  110    HA   LEU  16           HA       LEU  16  -3.418   0.028  -0.742
  111    HB2  LEU  16           HB2      LEU  16  -1.314  -0.761   1.276
  112    HB3  LEU  16           HB1      LEU  16  -2.621   0.349   1.640
  113    HG   LEU  16           HG       LEU  16  -3.273  -2.379   0.591
  114   HD11  LEU  16          HD11      LEU  16  -1.687  -2.796   2.383
  115   HD12  LEU  16          HD12      LEU  16  -3.319  -3.232   2.889
  116   HD13  LEU  16          HD13      LEU  16  -2.592  -1.728   3.455
  117   HD21  LEU  16          HD21      LEU  16  -5.271  -2.061   1.969
  118   HD22  LEU  16          HD22      LEU  16  -5.063  -0.731   0.831
  119   HD23  LEU  16          HD23      LEU  16  -4.642  -0.511   2.529
  Start of MODEL   16
    1    H    CYS   1           HN       CYS   1  -4.679   2.475   1.520
    2    HA   CYS   1           HA       CYS   1  -2.043   3.418   0.707
    3    HB2  CYS   1           HB2      CYS   1  -3.421   1.945  -1.124
    4    HB3  CYS   1           HB1      CYS   1  -4.029   3.559  -1.480
    5    H    PHE   2           HN       PHE   2  -1.905   5.474   1.195
    6    HA   PHE   2           HA       PHE   2  -4.344   7.051   1.540
    7    HB2  PHE   2           HB2      PHE   2  -1.501   7.456   2.454
    8    HB3  PHE   2           HB1      PHE   2  -2.716   8.721   2.587
    9    HD1  PHE   2           HD1      PHE   2  -4.584   8.492   4.138
   10    HD2  PHE   2           HD2      PHE   2  -1.539   5.530   3.883
   11    HE1  PHE   2           HE1      PHE   2  -5.322   7.554   6.289
   12    HE2  PHE   2           HE2      PHE   2  -2.273   4.586   6.033
   13    HZ   PHE   2           HZ       PHE   2  -4.168   5.598   7.239
   14    HA   PRO   3           HA       PRO   3  -3.455   9.265  -2.277
   15    HB2  PRO   3           HB2      PRO   3  -5.214  11.434  -1.477
   16    HB3  PRO   3           HB1      PRO   3  -5.489  10.185  -2.703
   17    HG2  PRO   3           HG2      PRO   3  -6.894  10.321  -0.396
   18    HG3  PRO   3           HG1      PRO   3  -6.573   8.803  -1.258
   19    HD2  PRO   3           HD2      PRO   3  -5.199   9.930   1.152
   20    HD3  PRO   3           HD1      PRO   3  -5.697   8.261   0.808
   21    H    ASP   4           HN       ASP   4  -3.143  10.774   0.824
   22    HA   ASP   4           HA       ASP   4  -1.173  12.664  -0.277
   23    HB2  ASP   4           HB2      ASP   4  -3.308  13.223   1.785
   24    HB3  ASP   4           HB1      ASP   4  -1.906  14.264   1.555
   25    H    GLY   5           HN       GLY   5  -1.893  10.236   1.987
   26    HA2  GLY   5           HA2      GLY   5   0.201  11.001   3.874
   27    HA3  GLY   5           HA1      GLY   5  -0.895   9.637   4.031
   28    H    ARG   6           HN       ARG   6   0.381   7.912   4.249
   29    HA   ARG   6           HA       ARG   6   2.514   7.499   2.255
   30    HB2  ARG   6           HB2      ARG   6   2.395   6.727   5.165
   31    HB3  ARG   6           HB1      ARG   6   3.520   5.970   4.047
   32    HG2  ARG   6           HG2      ARG   6   4.507   8.158   3.565
   33    HG3  ARG   6           HG1      ARG   6   3.386   8.907   4.703
   34    HD2  ARG   6           HD2      ARG   6   4.325   7.564   6.516
   35    HD3  ARG   6           HD1      ARG   6   5.439   6.803   5.380
   36    HE   ARG   6           HE       ARG   6   5.758   9.596   5.264
   37   HH11  ARG   6          HH11      ARG   6   6.436   6.927   7.444
   38   HH12  ARG   6          HH12      ARG   6   7.788   7.721   8.180
   39   HH21  ARG   6          HH21      ARG   6   7.531  10.616   6.241
   40   HH22  ARG   6          HH22      ARG   6   8.406   9.808   7.498
   41    H    CYS   7           HN       CYS   7   2.612   5.587   1.193
   42    HA   CYS   7           HA       CYS   7   0.787   3.431   1.911
   43    HB2  CYS   7           HB2      CYS   7  -0.355   4.775   0.203
   44    HB3  CYS   7           HB1      CYS   7   1.053   4.666  -0.843
   45    H    LYS   8           HN       LYS   8   1.342   1.376   1.055
   46    HA   LYS   8           HA       LYS   8   3.994   1.093  -0.167
   47    HB2  LYS   8           HB2      LYS   8   3.093  -0.204   2.410
   48    HB3  LYS   8           HB1      LYS   8   4.410  -0.851   1.443
   49    HG2  LYS   8           HG2      LYS   8   5.642   1.241   1.711
   50    HG3  LYS   8           HG1      LYS   8   4.315   1.898   2.673
   51    HD2  LYS   8           HD2      LYS   8   4.644   0.125   4.331
   52    HD3  LYS   8           HD1      LYS   8   5.971  -0.528   3.369
   53    HE2  LYS   8           HE2      LYS   8   7.203   1.567   3.649
   54    HE3  LYS   8           HE1      LYS   8   5.875   2.221   4.608
   55    HZ1  LYS   8           HZ1      LYS   8   7.652   1.389   6.013
   56    HZ2  LYS   8           HZ2      LYS   8   7.518  -0.148   5.321
   57    HZ3  LYS   8           HZ3      LYS   8   6.245   0.477   6.241
   58    H    ARG   9           HN       ARG   9   4.348  -1.067  -1.101
   59    HA   ARG   9           HA       ARG   9   1.917  -2.639  -1.539
   60    HB2  ARG   9           HB2      ARG   9   3.590  -1.386  -3.716
   61    HB3  ARG   9           HB1      ARG   9   2.554  -2.773  -4.017
   62    HG2  ARG   9           HG2      ARG   9   0.608  -1.477  -3.305
   63    HG3  ARG   9           HG1      ARG   9   1.650  -0.085  -3.000
   64    HD2  ARG   9           HD2      ARG   9   2.286  -0.047  -5.363
   65    HD3  ARG   9           HD1      ARG   9   1.247  -1.438  -5.666
   66    HE   ARG   9           HE       ARG   9  -0.300   0.576  -4.493
   67   HH11  ARG   9          HH11      ARG   9   1.381  -0.008  -7.521
   68   HH12  ARG   9          HH12      ARG   9   0.311   0.995  -8.441
   69   HH21  ARG   9          HH21      ARG   9  -1.689   1.883  -5.718
   70   HH22  ARG   9          HH22      ARG   9  -1.425   2.065  -7.420
   71    HA   PRO  10           HA       PRO  10   5.666  -5.361  -0.960
   72    HB2  PRO  10           HB2      PRO  10   4.466  -6.486   1.409
   73    HB3  PRO  10           HB1      PRO  10   5.917  -5.478   1.303
   74    HG2  PRO  10           HG2      PRO  10   3.596  -4.693   2.514
   75    HG3  PRO  10           HG1      PRO  10   4.803  -3.580   1.842
   76    HD2  PRO  10           HD2      PRO  10   2.225  -4.513   0.643
   77    HD3  PRO  10           HD1      PRO  10   2.953  -2.890   0.635
   78    HA   PRO  11           HA       PRO  11   3.793  -9.092  -2.621
   79    HB2  PRO  11           HB2      PRO  11   5.190 -10.791  -0.617
   80    HB3  PRO  11           HB1      PRO  11   5.264 -10.848  -2.388
   81    HG2  PRO  11           HG2      PRO  11   7.305  -9.920  -0.988
   82    HG3  PRO  11           HG1      PRO  11   6.824  -9.160  -2.520
   83    HD2  PRO  11           HD2      PRO  11   6.311  -8.242   0.280
   84    HD3  PRO  11           HD1      PRO  11   6.764  -7.298  -1.153
   85    H    GLY  12           HN       GLY  12   1.688  -9.367  -2.267
   86    HA2  GLY  12           HA2      GLY  12  -0.027 -10.705  -1.235
   87    HA3  GLY  12           HA1      GLY  12   0.817 -10.529   0.297
   88    H    PHE  13           HN       PHE  13  -1.687  -9.399  -1.624
   89    HA   PHE  13           HA       PHE  13  -1.838  -6.679  -0.846
   90    HB2  PHE  13           HB2      PHE  13  -3.042  -7.963  -2.776
   91    HB3  PHE  13           HB1      PHE  13  -4.271  -8.289  -1.560
   92    HD1  PHE  13           HD1      PHE  13  -5.656  -6.507  -0.683
   93    HD2  PHE  13           HD2      PHE  13  -2.683  -5.729  -3.627
   94    HE1  PHE  13           HE1      PHE  13  -6.672  -4.310  -1.123
   95    HE2  PHE  13           HE2      PHE  13  -3.692  -3.530  -4.071
   96    HZ   PHE  13           HZ       PHE  13  -5.690  -2.817  -2.819
   97    H    SER  14           HN       SER  14  -1.972  -6.040   1.178
   98    HA   SER  14           HA       SER  14  -4.161  -6.940   2.854
   99    HB2  SER  14           HB2      SER  14  -1.280  -7.185   3.748
  100    HB3  SER  14           HB1      SER  14  -2.658  -7.261   4.843
  101    HG   SER  14           HG       SER  14  -2.916  -9.256   4.272
  102    HA   PRO  15           HA       PRO  15  -2.245  -2.821   4.741
  103    HB2  PRO  15           HB2      PRO  15  -0.552  -1.427   3.078
  104    HB3  PRO  15           HB1      PRO  15   0.005  -2.532   4.349
  105    HG2  PRO  15           HG2      PRO  15  -0.304  -3.027   1.424
  106    HG3  PRO  15           HG1      PRO  15   1.031  -3.474   2.509
  107    HD2  PRO  15           HD2      PRO  15  -0.801  -5.290   1.801
  108    HD3  PRO  15           HD1      PRO  15  -0.145  -5.255   3.449
  109    H    LEU  16           HN       LEU  16  -2.372  -0.387   3.930
  110    HA   LEU  16           HA       LEU  16  -4.543  -0.266   1.947
  111    HB2  LEU  16           HB2      LEU  16  -5.530   1.551   3.156
  112    HB3  LEU  16           HB1      LEU  16  -5.228   0.247   4.278
  113    HG   LEU  16           HG       LEU  16  -3.355   2.606   4.060
  114   HD11  LEU  16          HD11      LEU  16  -5.580   3.482   4.492
  115   HD12  LEU  16          HD12      LEU  16  -4.566   3.611   5.929
  116   HD13  LEU  16          HD13      LEU  16  -5.785   2.342   5.822
  117   HD21  LEU  16          HD21      LEU  16  -3.914   0.560   6.213
  118   HD22  LEU  16          HD22      LEU  16  -2.887   1.977   6.427
  119   HD23  LEU  16          HD23      LEU  16  -2.437   0.732   5.264
  Start of MODEL   17
    1    H    CYS   1           HN       CYS   1  -3.337   1.922  -0.605
    2    HA   CYS   1           HA       CYS   1  -1.002   3.648  -0.411
    3    HB2  CYS   1           HB2      CYS   1  -2.369   3.090  -2.949
    4    HB3  CYS   1           HB1      CYS   1  -2.248   4.806  -2.573
    5    H    PHE   2           HN       PHE   2  -1.459   5.494   0.605
    6    HA   PHE   2           HA       PHE   2  -4.188   5.976   1.456
    7    HB2  PHE   2           HB2      PHE   2  -1.560   7.287   2.163
    8    HB3  PHE   2           HB1      PHE   2  -3.106   7.837   2.801
    9    HD1  PHE   2           HD1      PHE   2  -0.579   5.200   2.885
   10    HD2  PHE   2           HD2      PHE   2  -4.321   6.518   4.426
   11    HE1  PHE   2           HE1      PHE   2  -0.411   3.545   4.697
   12    HE2  PHE   2           HE2      PHE   2  -4.159   4.865   6.242
   13    HZ   PHE   2           HZ       PHE   2  -2.202   3.376   6.379
   14    HA   PRO   3           HA       PRO   3  -5.166   9.238  -1.436
   15    HB2  PRO   3           HB2      PRO   3  -6.368  10.899   0.670
   16    HB3  PRO   3           HB1      PRO   3  -7.148  10.106  -0.709
   17    HG2  PRO   3           HG2      PRO   3  -7.545   9.265   1.791
   18    HG3  PRO   3           HG1      PRO   3  -7.476   8.141   0.419
   19    HD2  PRO   3           HD2      PRO   3  -5.362   8.769   2.445
   20    HD3  PRO   3           HD1      PRO   3  -5.857   7.200   1.777
   21    H    ASP   4           HN       ASP   4  -3.738  10.269   1.583
   22    HA   ASP   4           HA       ASP   4  -2.160  12.286   0.159
   23    HB2  ASP   4           HB2      ASP   4  -3.744  12.773   2.690
   24    HB3  ASP   4           HB1      ASP   4  -2.435  13.824   2.160
   25    H    GLY   5           HN       GLY   5  -0.110  11.754   0.419
   26    HA2  GLY   5           HA2      GLY   5   1.638  11.791   2.265
   27    HA3  GLY   5           HA1      GLY   5   0.719  10.454   2.936
   28    H    ARG   6           HN       ARG   6   1.677   8.583   2.618
   29    HA   ARG   6           HA       ARG   6   2.886   7.997   0.004
   30    HB2  ARG   6           HB2      ARG   6   4.156   7.627   2.719
   31    HB3  ARG   6           HB1      ARG   6   4.701   6.734   1.306
   32    HG2  ARG   6           HG2      ARG   6   5.248   8.820   0.179
   33    HG3  ARG   6           HG1      ARG   6   4.663   9.736   1.570
   34    HD2  ARG   6           HD2      ARG   6   6.377   8.682   2.971
   35    HD3  ARG   6           HD1      ARG   6   6.965   7.785   1.572
   36    HE   ARG   6           HE       ARG   6   7.023  10.469   0.883
   37   HH11  ARG   6          HH11      ARG   6   8.600   8.416   3.257
   38   HH12  ARG   6          HH12      ARG   6  10.030   9.390   3.318
   39   HH21  ARG   6          HH21      ARG   6   8.905  11.728   0.979
   40   HH22  ARG   6          HH22      ARG   6  10.201  11.264   2.029
   41    H    CYS   7           HN       CYS   7   3.710   5.433   0.385
   42    HA   CYS   7           HA       CYS   7   1.466   3.905   1.476
   43    HB2  CYS   7           HB2      CYS   7   2.627   3.217  -1.224
   44    HB3  CYS   7           HB1      CYS   7   1.106   2.684  -0.520
   45    H    LYS   8           HN       LYS   8   2.176   1.368   0.941
   46    HA   LYS   8           HA       LYS   8   5.007   1.036   1.637
   47    HB2  LYS   8           HB2      LYS   8   2.671   0.025   3.254
   48    HB3  LYS   8           HB1      LYS   8   4.267  -0.701   3.368
   49    HG2  LYS   8           HG2      LYS   8   5.195   1.445   4.080
   50    HG3  LYS   8           HG1      LYS   8   3.593   2.176   3.961
   51    HD2  LYS   8           HD2      LYS   8   2.766   0.631   5.672
   52    HD3  LYS   8           HD1      LYS   8   4.368  -0.097   5.790
   53    HE2  LYS   8           HE2      LYS   8   5.289   2.052   6.512
   54    HE3  LYS   8           HE1      LYS   8   3.687   2.779   6.393
   55    HZ1  LYS   8           HZ1      LYS   8   4.448   0.563   8.219
   56    HZ2  LYS   8           HZ2      LYS   8   2.911   1.260   8.106
   57    HZ3  LYS   8           HZ3      LYS   8   4.217   2.178   8.669
   58    H    ARG   9           HN       ARG   9   2.615   0.224  -0.417
   59    HA   ARG   9           HA       ARG   9   3.894  -2.318  -1.113
   60    HB2  ARG   9           HB2      ARG   9   0.939  -1.905  -0.701
   61    HB3  ARG   9           HB1      ARG   9   1.562  -3.201  -1.712
   62    HG2  ARG   9           HG2      ARG   9   2.903  -3.953   0.290
   63    HG3  ARG   9           HG1      ARG   9   1.956  -2.806   1.240
   64    HD2  ARG   9           HD2      ARG   9  -0.106  -3.941   0.480
   65    HD3  ARG   9           HD1      ARG   9   0.889  -5.125  -0.366
   66    HE   ARG   9           HE       ARG   9   1.659  -4.996   2.344
   67   HH11  ARG   9          HH11      ARG   9  -0.977  -6.194   0.356
   68   HH12  ARG   9          HH12      ARG   9  -1.405  -7.444   1.476
   69   HH21  ARG   9          HH21      ARG   9   1.081  -6.640   3.795
   70   HH22  ARG   9          HH22      ARG   9  -0.241  -7.695   3.420
   71    HA   PRO  10           HA       PRO  10   3.856  -0.054  -5.060
   72    HB2  PRO  10           HB2      PRO  10   4.965  -2.580  -6.136
   73    HB3  PRO  10           HB1      PRO  10   5.651  -0.945  -6.180
   74    HG2  PRO  10           HG2      PRO  10   6.691  -2.824  -4.622
   75    HG3  PRO  10           HG1      PRO  10   6.600  -1.129  -4.100
   76    HD2  PRO  10           HD2      PRO  10   4.861  -3.436  -3.324
   77    HD3  PRO  10           HD1      PRO  10   5.520  -2.124  -2.324
   78    HA   PRO  11           HA       PRO  11   0.288  -1.676  -7.237
   79    HB2  PRO  11           HB2      PRO  11   1.491  -1.201  -9.882
   80    HB3  PRO  11           HB1      PRO  11   0.096  -0.409  -9.127
   81    HG2  PRO  11           HG2      PRO  11   2.399   0.882  -9.498
   82    HG3  PRO  11           HG1      PRO  11   1.377   1.172  -8.075
   83    HD2  PRO  11           HD2      PRO  11   3.865  -0.481  -8.300
   84    HD3  PRO  11           HD1      PRO  11   3.377   0.657  -7.028
   85    H    GLY  12           HN       GLY  12  -0.419  -3.642  -7.744
   86    HA2  GLY  12           HA2      GLY  12   0.612  -5.370  -9.684
   87    HA3  GLY  12           HA1      GLY  12   1.326  -5.828  -8.144
   88    H    PHE  13           HN       PHE  13   0.076  -6.797  -6.577
   89    HA   PHE  13           HA       PHE  13  -2.689  -7.468  -7.342
   90    HB2  PHE  13           HB2      PHE  13  -0.857  -9.324  -7.488
   91    HB3  PHE  13           HB1      PHE  13  -0.977  -9.347  -5.733
   92    HD1  PHE  13           HD1      PHE  13  -2.971 -10.170  -4.632
   93    HD2  PHE  13           HD2      PHE  13  -2.670 -10.114  -8.878
   94    HE1  PHE  13           HE1      PHE  13  -4.909 -11.679  -4.786
   95    HE2  PHE  13           HE2      PHE  13  -4.608 -11.623  -9.038
   96    HZ   PHE  13           HZ       PHE  13  -5.730 -12.406  -6.991
   97    H    SER  14           HN       SER  14  -3.974  -6.366  -6.043
   98    HA   SER  14           HA       SER  14  -4.907  -5.341  -4.252
   99    HB2  SER  14           HB2      SER  14  -3.836  -7.790  -2.824
  100    HB3  SER  14           HB1      SER  14  -5.062  -6.699  -2.179
  101    HG   SER  14           HG       SER  14  -6.505  -7.592  -3.427
  102    HA   PRO  15           HA       PRO  15  -0.955  -3.554  -2.520
  103    HB2  PRO  15           HB2      PRO  15  -0.841  -1.224  -3.857
  104    HB3  PRO  15           HB1      PRO  15  -0.271  -2.737  -4.586
  105    HG2  PRO  15           HG2      PRO  15  -2.781  -1.233  -5.077
  106    HG3  PRO  15           HG1      PRO  15  -1.762  -2.141  -6.212
  107    HD2  PRO  15           HD2      PRO  15  -4.123  -3.099  -5.038
  108    HD3  PRO  15           HD1      PRO  15  -2.881  -4.098  -5.814
  109    H    LEU  16           HN       LEU  16  -0.653  -1.247  -1.535
  110    HA   LEU  16           HA       LEU  16  -3.189  -0.196  -0.494
  111    HB2  LEU  16           HB2      LEU  16  -0.784  -1.013   1.131
  112    HB3  LEU  16           HB1      LEU  16  -2.018   0.069   1.746
  113    HG   LEU  16           HG       LEU  16  -2.746  -2.668   0.738
  114   HD11  LEU  16          HD11      LEU  16  -2.524  -3.514   3.009
  115   HD12  LEU  16          HD12      LEU  16  -1.860  -1.966   3.533
  116   HD13  LEU  16          HD13      LEU  16  -0.966  -2.966   2.389
  117   HD21  LEU  16          HD21      LEU  16  -4.581  -1.122   1.120
  118   HD22  LEU  16          HD22      LEU  16  -3.987  -0.784   2.745
  119   HD23  LEU  16          HD23      LEU  16  -4.596  -2.390   2.346
  Start of MODEL   18
    1    H    CYS   1           HN       CYS   1  -3.705   2.590   3.065
    2    HA   CYS   1           HA       CYS   1  -1.546   3.427   1.313
    3    HB2  CYS   1           HB2      CYS   1  -3.096   1.476   0.302
    4    HB3  CYS   1           HB1      CYS   1  -4.078   2.873  -0.133
    5    H    PHE   2           HN       PHE   2  -1.503   5.536   1.396
    6    HA   PHE   2           HA       PHE   2  -4.046   6.995   1.695
    7    HB2  PHE   2           HB2      PHE   2  -1.903   7.031   3.413
    8    HB3  PHE   2           HB1      PHE   2  -1.616   8.460   2.426
    9    HD1  PHE   2           HD1      PHE   2  -3.783   6.897   4.904
   10    HD2  PHE   2           HD2      PHE   2  -3.176  10.332   2.465
   11    HE1  PHE   2           HE1      PHE   2  -5.419   8.142   6.255
   12    HE2  PHE   2           HE2      PHE   2  -4.810  11.583   3.812
   13    HZ   PHE   2           HZ       PHE   2  -5.934  10.488   5.709
   14    HA   PRO   3           HA       PRO   3  -2.879   8.766  -2.300
   15    HB2  PRO   3           HB2      PRO   3  -5.025  10.712  -2.054
   16    HB3  PRO   3           HB1      PRO   3  -4.924   9.311  -3.133
   17    HG2  PRO   3           HG2      PRO   3  -6.689   9.466  -1.095
   18    HG3  PRO   3           HG1      PRO   3  -6.013   7.934  -1.684
   19    HD2  PRO   3           HD2      PRO   3  -5.227   9.542   0.716
   20    HD3  PRO   3           HD1      PRO   3  -5.430   7.787   0.546
   21    H    ASP   4           HN       ASP   4  -3.458  10.762   0.501
   22    HA   ASP   4           HA       ASP   4  -1.874  12.958  -0.628
   23    HB2  ASP   4           HB2      ASP   4  -3.722  12.822   1.754
   24    HB3  ASP   4           HB1      ASP   4  -2.688  14.209   1.426
   25    H    GLY   5           HN       GLY   5  -1.665  10.359   1.577
   26    HA2  GLY   5           HA2      GLY   5   0.608  11.548   3.012
   27    HA3  GLY   5           HA1      GLY   5  -0.262  10.098   3.489
   28    H    ARG   6           HN       ARG   6   0.941   8.345   3.327
   29    HA   ARG   6           HA       ARG   6   2.649   7.995   0.960
   30    HB2  ARG   6           HB2      ARG   6   3.445   7.600   3.843
   31    HB3  ARG   6           HB1      ARG   6   4.308   6.830   2.519
   32    HG2  ARG   6           HG2      ARG   6   4.813   9.035   1.574
   33    HG3  ARG   6           HG1      ARG   6   3.962   9.798   2.916
   34    HD2  ARG   6           HD2      ARG   6   6.289   7.930   3.310
   35    HD3  ARG   6           HD1      ARG   6   6.490   9.668   3.097
   36    HE   ARG   6           HE       ARG   6   4.631   9.227   5.149
   37   HH11  ARG   6          HH11      ARG   6   8.070   8.806   4.577
   38   HH12  ARG   6          HH12      ARG   6   8.485   8.973   6.250
   39   HH21  ARG   6          HH21      ARG   6   5.196   9.441   7.333
   40   HH22  ARG   6          HH22      ARG   6   6.859   9.332   7.809
   41    H    CYS   7           HN       CYS   7   2.742   5.963   0.136
   42    HA   CYS   7           HA       CYS   7   1.477   3.760   1.567
   43    HB2  CYS   7           HB2      CYS   7  -0.244   4.748   0.083
   44    HB3  CYS   7           HB1      CYS   7   0.833   4.547  -1.291
   45    H    LYS   8           HN       LYS   8   1.974   1.633   0.624
   46    HA   LYS   8           HA       LYS   8   4.347   1.562  -1.100
   47    HB2  LYS   8           HB2      LYS   8   4.127   0.312   1.637
   48    HB3  LYS   8           HB1      LYS   8   5.289  -0.244   0.442
   49    HG2  LYS   8           HG2      LYS   8   6.305   1.976   0.390
   50    HG3  LYS   8           HG1      LYS   8   5.134   2.539   1.583
   51    HD2  LYS   8           HD2      LYS   8   5.986   0.897   3.189
   52    HD3  LYS   8           HD1      LYS   8   7.158   0.339   1.994
   53    HE2  LYS   8           HE2      LYS   8   8.177   2.562   1.957
   54    HE3  LYS   8           HE1      LYS   8   7.003   3.121   3.148
   55    HZ1  LYS   8           HZ1      LYS   8   7.886   1.513   4.720
   56    HZ2  LYS   8           HZ2      LYS   8   9.107   2.552   4.183
   57    HZ3  LYS   8           HZ3      LYS   8   9.012   0.976   3.577
   58    H    ARG   9           HN       ARG   9   4.452  -0.143  -2.454
   59    HA   ARG   9           HA       ARG   9   2.590  -2.372  -2.133
   60    HB2  ARG   9           HB2      ARG   9   2.613  -0.433  -4.408
   61    HB3  ARG   9           HB1      ARG   9   2.237  -2.117  -4.738
   62    HG2  ARG   9           HG2      ARG   9   0.788  -0.760  -2.526
   63    HG3  ARG   9           HG1      ARG   9   0.357  -0.352  -4.186
   64    HD2  ARG   9           HD2      ARG   9  -0.049  -2.714  -4.666
   65    HD3  ARG   9           HD1      ARG   9   0.402  -3.133  -3.013
   66    HE   ARG   9           HE       ARG   9  -1.646  -1.270  -2.843
   67   HH11  ARG   9          HH11      ARG   9  -1.262  -4.534  -4.079
   68   HH12  ARG   9          HH12      ARG   9  -2.919  -4.958  -3.801
   69   HH21  ARG   9          HH21      ARG   9  -3.810  -1.845  -2.487
   70   HH22  ARG   9          HH22      ARG   9  -4.358  -3.435  -2.900
   71    HA   PRO  10           HA       PRO  10   6.214  -3.477  -5.385
   72    HB2  PRO  10           HB2      PRO  10   8.273  -1.648  -4.242
   73    HB3  PRO  10           HB1      PRO  10   8.031  -2.178  -5.915
   74    HG2  PRO  10           HG2      PRO  10   7.340   0.257  -5.184
   75    HG3  PRO  10           HG1      PRO  10   6.325  -0.682  -6.300
   76    HD2  PRO  10           HD2      PRO  10   5.905  -0.103  -3.403
   77    HD3  PRO  10           HD1      PRO  10   4.725  -0.198  -4.722
   78    HA   PRO  11           HA       PRO  11   9.099  -4.531  -1.452
   79    HB2  PRO  11           HB2      PRO  11   7.114  -3.852   0.664
   80    HB3  PRO  11           HB1      PRO  11   8.884  -3.723   0.694
   81    HG2  PRO  11           HG2      PRO  11   7.416  -1.558   0.451
   82    HG3  PRO  11           HG1      PRO  11   8.901  -1.752  -0.505
   83    HD2  PRO  11           HD2      PRO  11   6.054  -2.063  -1.362
   84    HD3  PRO  11           HD1      PRO  11   7.420  -1.331  -2.223
   85    H    GLY  12           HN       GLY  12   5.635  -4.928  -1.626
   86    HA2  GLY  12           HA2      GLY  12   5.261  -7.452  -2.176
   87    HA3  GLY  12           HA1      GLY  12   5.818  -7.642  -0.522
   88    H    PHE  13           HN       PHE  13   4.558  -6.535   1.170
   89    HA   PHE  13           HA       PHE  13   1.707  -6.841   0.627
   90    HB2  PHE  13           HB2      PHE  13   3.279  -6.619   3.195
   91    HB3  PHE  13           HB1      PHE  13   1.521  -6.669   3.146
   92    HD1  PHE  13           HD1      PHE  13   0.349  -8.708   2.578
   93    HD2  PHE  13           HD2      PHE  13   4.602  -8.580   2.687
   94    HE1  PHE  13           HE1      PHE  13   0.419 -11.167   2.573
   95    HE2  PHE  13           HE2      PHE  13   4.680 -11.039   2.682
   96    HZ   PHE  13           HZ       PHE  13   2.587 -12.335   2.623
   97    H    SER  14           HN       SER  14   0.146  -5.322   1.182
   98    HA   SER  14           HA       SER  14   1.049  -2.586   1.745
   99    HB2  SER  14           HB2      SER  14   0.693  -2.848  -0.715
  100    HB3  SER  14           HB1      SER  14  -0.984  -3.283  -0.393
  101    HG   SER  14           HG       SER  14  -1.190  -1.177  -0.644
  102    HA   PRO  15           HA       PRO  15  -2.494  -3.737   4.519
  103    HB2  PRO  15           HB2      PRO  15  -1.098  -2.262   6.605
  104    HB3  PRO  15           HB1      PRO  15  -1.523  -3.982   6.558
  105    HG2  PRO  15           HG2      PRO  15   1.022  -3.119   6.427
  106    HG3  PRO  15           HG1      PRO  15   0.461  -4.597   5.620
  107    HD2  PRO  15           HD2      PRO  15   0.922  -1.869   4.436
  108    HD3  PRO  15           HD1      PRO  15   1.367  -3.466   3.790
  109    H    LEU  16           HN       LEU  16  -0.894  -0.669   4.046
  110    HA   LEU  16           HA       LEU  16  -3.475   0.706   4.307
  111    HB2  LEU  16           HB2      LEU  16  -0.886   1.585   5.590
  112    HB3  LEU  16           HB1      LEU  16  -2.284   2.626   5.412
  113    HG   LEU  16           HG       LEU  16  -2.620   0.021   6.837
  114   HD11  LEU  16          HD11      LEU  16  -0.602   0.942   7.826
  115   HD12  LEU  16          HD12      LEU  16  -1.957   1.080   8.946
  116   HD13  LEU  16          HD13      LEU  16  -1.402   2.497   8.053
  117   HD21  LEU  16          HD21      LEU  16  -4.571   1.421   6.381
  118   HD22  LEU  16          HD22      LEU  16  -3.803   2.774   7.211
  119   HD23  LEU  16          HD23      LEU  16  -4.251   1.327   8.113
  Start of MODEL   19
    1    H    CYS   1           HN       CYS   1  -4.210   2.081  -0.433
    2    HA   CYS   1           HA       CYS   1  -1.747   3.627  -0.531
    3    HB2  CYS   1           HB2      CYS   1  -3.500   3.204  -2.877
    4    HB3  CYS   1           HB1      CYS   1  -3.018   4.870  -2.573
    5    H    PHE   2           HN       PHE   2  -1.951   5.448   0.566
    6    HA   PHE   2           HA       PHE   2  -4.572   6.220   1.569
    7    HB2  PHE   2           HB2      PHE   2  -1.760   7.045   2.304
    8    HB3  PHE   2           HB1      PHE   2  -3.187   7.796   3.009
    9    HD1  PHE   2           HD1      PHE   2  -4.586   6.586   4.571
   10    HD2  PHE   2           HD2      PHE   2  -1.131   4.780   2.865
   11    HE1  PHE   2           HE1      PHE   2  -4.679   4.810   6.271
   12    HE2  PHE   2           HE2      PHE   2  -1.219   2.999   4.561
   13    HZ   PHE   2           HZ       PHE   2  -2.996   3.013   6.267
   14    HA   PRO   3           HA       PRO   3  -5.004   9.847  -1.020
   15    HB2  PRO   3           HB2      PRO   3  -5.919  11.545   1.186
   16    HB3  PRO   3           HB1      PRO   3  -6.844  10.893  -0.178
   17    HG2  PRO   3           HG2      PRO   3  -7.238  10.056   2.336
   18    HG3  PRO   3           HG1      PRO   3  -7.415   8.979   0.935
   19    HD2  PRO   3           HD2      PRO   3  -5.112   9.230   2.835
   20    HD3  PRO   3           HD1      PRO   3  -5.885   7.770   2.186
   21    H    ASP   4           HN       ASP   4  -2.640   9.757   1.261
   22    HA   ASP   4           HA       ASP   4  -1.802  12.535   1.117
   23    HB2  ASP   4           HB2      ASP   4  -1.582  10.883   3.144
   24    HB3  ASP   4           HB1      ASP   4  -0.122  10.360   2.312
   25    H    GLY   5           HN       GLY   5  -1.149   9.543  -0.473
   26    HA2  GLY   5           HA2      GLY   5  -0.141   9.739  -2.709
   27    HA3  GLY   5           HA1      GLY   5   1.030  10.835  -1.996
   28    H    ARG   6           HN       ARG   6   1.186   9.010   0.424
   29    HA   ARG   6           HA       ARG   6   3.175   7.192  -0.714
   30    HB2  ARG   6           HB2      ARG   6   2.676   8.199   2.081
   31    HB3  ARG   6           HB1      ARG   6   3.787   6.878   1.750
   32    HG2  ARG   6           HG2      ARG   6   5.086   8.368   0.279
   33    HG3  ARG   6           HG1      ARG   6   3.994   9.691   0.691
   34    HD2  ARG   6           HD2      ARG   6   5.529   8.144   2.766
   35    HD3  ARG   6           HD1      ARG   6   6.182   9.576   1.973
   36    HE   ARG   6           HE       ARG   6   3.656  10.209   3.002
   37   HH11  ARG   6          HH11      ARG   6   6.860   9.425   4.207
   38   HH12  ARG   6          HH12      ARG   6   6.656  10.329   5.671
   39   HH21  ARG   6          HH21      ARG   6   3.411  11.387   4.925
   40   HH22  ARG   6          HH22      ARG   6   4.705  11.437   6.075
   41    H    CYS   7           HN       CYS   7   3.153   5.013  -0.467
   42    HA   CYS   7           HA       CYS   7   0.970   3.730   0.999
   43    HB2  CYS   7           HB2      CYS   7   1.721   2.721  -1.734
   44    HB3  CYS   7           HB1      CYS   7   0.243   2.440  -0.822
   45    H    LYS   8           HN       LYS   8   1.528   1.833   1.977
   46    HA   LYS   8           HA       LYS   8   4.018   0.495   1.271
   47    HB2  LYS   8           HB2      LYS   8   3.549   1.823   3.936
   48    HB3  LYS   8           HB1      LYS   8   4.655   0.467   3.768
   49    HG2  LYS   8           HG2      LYS   8   5.975   1.736   2.154
   50    HG3  LYS   8           HG1      LYS   8   4.861   3.097   2.313
   51    HD2  LYS   8           HD2      LYS   8   5.424   3.269   4.693
   52    HD3  LYS   8           HD1      LYS   8   6.548   1.919   4.522
   53    HE2  LYS   8           HE2      LYS   8   7.858   3.219   2.916
   54    HE3  LYS   8           HE1      LYS   8   6.734   4.566   3.086
   55    HZ1  LYS   8           HZ1      LYS   8   8.419   3.438   5.256
   56    HZ2  LYS   8           HZ2      LYS   8   7.341   4.732   5.418
   57    HZ3  LYS   8           HZ3      LYS   8   8.708   4.889   4.434
   58    H    ARG   9           HN       ARG   9   3.469  -1.543   1.045
   59    HA   ARG   9           HA       ARG   9   2.086  -2.949   3.174
   60    HB2  ARG   9           HB2      ARG   9   0.756  -2.218   0.719
   61    HB3  ARG   9           HB1      ARG   9   0.883  -3.969   0.833
   62    HG2  ARG   9           HG2      ARG   9  -0.096  -3.791   3.137
   63    HG3  ARG   9           HG1      ARG   9  -0.409  -2.089   2.792
   64    HD2  ARG   9           HD2      ARG   9  -2.417  -3.262   2.326
   65    HD3  ARG   9           HD1      ARG   9  -1.701  -2.847   0.770
   66    HE   ARG   9           HE       ARG   9  -0.772  -5.358   1.287
   67   HH11  ARG   9          HH11      ARG   9  -3.994  -3.972   1.096
   68   HH12  ARG   9          HH12      ARG   9  -4.722  -5.452   0.569
   69   HH21  ARG   9          HH21      ARG   9  -1.748  -7.282   0.596
   70   HH22  ARG   9          HH22      ARG   9  -3.452  -7.324   0.286
   71    HA   PRO  10           HA       PRO  10   4.919  -6.183   1.959
   72    HB2  PRO  10           HB2      PRO  10   2.981  -8.314   2.510
   73    HB3  PRO  10           HB1      PRO  10   4.452  -7.890   3.402
   74    HG2  PRO  10           HG2      PRO  10   2.007  -7.498   4.426
   75    HG3  PRO  10           HG1      PRO  10   3.372  -6.418   4.774
   76    HD2  PRO  10           HD2      PRO  10   1.113  -6.033   2.847
   77    HD3  PRO  10           HD1      PRO  10   1.842  -4.875   3.979
   78    HA   PRO  11           HA       PRO  11   3.900  -7.617  -2.158
   79    HB2  PRO  11           HB2      PRO  11   5.606  -9.970  -1.988
   80    HB3  PRO  11           HB1      PRO  11   5.898  -8.453  -2.855
   81    HG2  PRO  11           HG2      PRO  11   7.340  -9.212  -0.700
   82    HG3  PRO  11           HG1      PRO  11   7.039  -7.515  -1.124
   83    HD2  PRO  11           HD2      PRO  11   5.674  -9.215   0.930
   84    HD3  PRO  11           HD1      PRO  11   6.216  -7.527   1.038
   85    H    GLY  12           HN       GLY  12   1.990  -8.466  -2.643
   86    HA2  GLY  12           HA2      GLY  12   1.523 -11.295  -2.425
   87    HA3  GLY  12           HA1      GLY  12   0.511 -10.346  -1.345
   88    H    PHE  13           HN       PHE  13  -1.277  -9.407  -2.115
   89    HA   PHE  13           HA       PHE  13  -1.649  -9.010  -4.979
   90    HB2  PHE  13           HB2      PHE  13  -3.403 -10.831  -3.321
   91    HB3  PHE  13           HB1      PHE  13  -3.915 -10.149  -4.860
   92    HD1  PHE  13           HD1      PHE  13  -2.828 -10.845  -6.949
   93    HD2  PHE  13           HD2      PHE  13  -1.837 -12.630  -3.214
   94    HE1  PHE  13           HE1      PHE  13  -1.761 -12.719  -8.131
   95    HE2  PHE  13           HE2      PHE  13  -0.766 -14.506  -4.390
   96    HZ   PHE  13           HZ       PHE  13  -0.727 -14.553  -6.853
   97    H    SER  14           HN       SER  14  -2.669  -7.163  -5.372
   98    HA   SER  14           HA       SER  14  -3.815  -5.228  -5.146
   99    HB2  SER  14           HB2      SER  14  -5.506  -6.810  -3.198
  100    HB3  SER  14           HB1      SER  14  -5.938  -5.240  -3.875
  101    HG   SER  14           HG       SER  14  -6.041  -6.163  -5.901
  102    HA   PRO  15           HA       PRO  15  -1.594  -3.857  -1.335
  103    HB2  PRO  15           HB2      PRO  15  -0.301  -1.735  -2.386
  104    HB3  PRO  15           HB1      PRO  15   0.281  -3.394  -2.620
  105    HG2  PRO  15           HG2      PRO  15  -1.226  -1.640  -4.493
  106    HG3  PRO  15           HG1      PRO  15   0.132  -2.738  -4.815
  107    HD2  PRO  15           HD2      PRO  15  -2.501  -3.382  -5.307
  108    HD3  PRO  15           HD1      PRO  15  -1.228  -4.579  -5.001
  109    H    LEU  16           HN       LEU  16  -1.444  -1.485  -0.381
  110    HA   LEU  16           HA       LEU  16  -4.088  -0.228  -0.744
  111    HB2  LEU  16           HB2      LEU  16  -3.485  -1.402   1.476
  112    HB3  LEU  16           HB1      LEU  16  -2.427  -0.034   1.759
  113    HG   LEU  16           HG       LEU  16  -4.635   1.352   1.314
  114   HD11  LEU  16          HD11      LEU  16  -5.705  -1.292   2.290
  115   HD12  LEU  16          HD12      LEU  16  -6.019  -0.563   0.716
  116   HD13  LEU  16          HD13      LEU  16  -6.615   0.215   2.182
  117   HD21  LEU  16          HD21      LEU  16  -4.061  -0.117   3.883
  118   HD22  LEU  16          HD22      LEU  16  -5.063   1.325   3.727
  119   HD23  LEU  16          HD23      LEU  16  -3.339   1.407   3.367
  Start of MODEL   20
    1    H    CYS   1           HN       CYS   1  -3.980   2.007  -0.800
    2    HA   CYS   1           HA       CYS   1  -1.446   3.440  -0.769
    3    HB2  CYS   1           HB2      CYS   1  -2.403   2.425  -3.193
    4    HB3  CYS   1           HB1      CYS   1  -2.871   4.121  -3.207
    5    H    PHE   2           HN       PHE   2  -1.760   5.259   0.263
    6    HA   PHE   2           HA       PHE   2  -4.436   6.476   0.250
    7    HB2  PHE   2           HB2      PHE   2  -2.211   6.596   2.283
    8    HB3  PHE   2           HB1      PHE   2  -3.619   7.649   2.347
    9    HD1  PHE   2           HD1      PHE   2  -5.803   6.776   2.927
   10    HD2  PHE   2           HD2      PHE   2  -2.389   4.238   2.781
   11    HE1  PHE   2           HE1      PHE   2  -7.044   5.043   4.155
   12    HE2  PHE   2           HE2      PHE   2  -3.625   2.500   4.008
   13    HZ   PHE   2           HZ       PHE   2  -5.955   2.902   4.697
   14    HA   PRO   3           HA       PRO   3  -2.478   9.864  -2.008
   15    HB2  PRO   3           HB2      PRO   3  -4.835  11.511  -1.574
   16    HB3  PRO   3           HB1      PRO   3  -4.276  10.756  -3.076
   17    HG2  PRO   3           HG2      PRO   3  -6.527   9.985  -1.802
   18    HG3  PRO   3           HG1      PRO   3  -5.531   8.881  -2.770
   19    HD2  PRO   3           HD2      PRO   3  -5.624   9.214   0.204
   20    HD3  PRO   3           HD1      PRO   3  -5.553   7.730  -0.769
   21    H    ASP   4           HN       ASP   4  -3.996  10.359   1.090
   22    HA   ASP   4           HA       ASP   4  -2.498  12.836   1.537
   23    HB2  ASP   4           HB2      ASP   4  -4.804  11.579   3.020
   24    HB3  ASP   4           HB1      ASP   4  -3.923  12.976   3.632
   25    H    GLY   5           HN       GLY   5  -2.667   9.528   2.530
   26    HA2  GLY   5           HA2      GLY   5  -0.782   9.977   4.739
   27    HA3  GLY   5           HA1      GLY   5  -1.698   8.505   4.454
   28    H    ARG   6           HN       ARG   6   0.005   7.101   4.474
   29    HA   ARG   6           HA       ARG   6   2.090   7.476   2.427
   30    HB2  ARG   6           HB2      ARG   6   2.098   5.982   5.046
   31    HB3  ARG   6           HB1      ARG   6   3.315   5.696   3.810
   32    HG2  ARG   6           HG2      ARG   6   3.968   8.057   3.919
   33    HG3  ARG   6           HG1      ARG   6   2.765   8.320   5.183
   34    HD2  ARG   6           HD2      ARG   6   3.914   6.709   6.616
   35    HD3  ARG   6           HD1      ARG   6   5.107   6.426   5.350
   36    HE   ARG   6           HE       ARG   6   4.992   9.177   5.992
   37   HH11  ARG   6          HH11      ARG   6   6.200   6.143   7.284
   38   HH12  ARG   6          HH12      ARG   6   7.464   6.902   8.194
   39   HH21  ARG   6          HH21      ARG   6   6.654  10.148   7.190
   40   HH22  ARG   6          HH22      ARG   6   7.720   9.167   8.139
   41    H    CYS   7           HN       CYS   7   2.783   5.624   1.217
   42    HA   CYS   7           HA       CYS   7   0.963   3.347   1.138
   43    HB2  CYS   7           HB2      CYS   7   0.181   4.926  -0.573
   44    HB3  CYS   7           HB1      CYS   7   1.800   5.011  -1.253
   45    H    LYS   8           HN       LYS   8   1.813   1.458   0.303
   46    HA   LYS   8           HA       LYS   8   4.655   1.369  -0.407
   47    HB2  LYS   8           HB2      LYS   8   3.346  -0.174   1.842
   48    HB3  LYS   8           HB1      LYS   8   4.851  -0.695   1.100
   49    HG2  LYS   8           HG2      LYS   8   5.912   1.402   1.763
   50    HG3  LYS   8           HG1      LYS   8   4.398   1.935   2.498
   51    HD2  LYS   8           HD2      LYS   8   4.485   0.038   4.047
   52    HD3  LYS   8           HD1      LYS   8   5.997  -0.494   3.311
   53    HE2  LYS   8           HE2      LYS   8   5.655   2.227   4.552
   54    HE3  LYS   8           HE1      LYS   8   6.186   0.821   5.473
   55    HZ1  LYS   8           HZ1      LYS   8   8.062   2.125   4.697
   56    HZ2  LYS   8           HZ2      LYS   8   7.559   1.949   3.092
   57    HZ3  LYS   8           HZ3      LYS   8   8.070   0.597   3.970
   58    H    ARG   9           HN       ARG   9   5.148  -1.145  -0.949
   59    HA   ARG   9           HA       ARG   9   2.859  -2.323  -2.344
   60    HB2  ARG   9           HB2      ARG   9   5.466  -1.528  -3.642
   61    HB3  ARG   9           HB1      ARG   9   4.411  -2.748  -4.341
   62    HG2  ARG   9           HG2      ARG   9   2.608  -1.102  -4.491
   63    HG3  ARG   9           HG1      ARG   9   3.672   0.122  -3.794
   64    HD2  ARG   9           HD2      ARG   9   5.198  -0.129  -5.691
   65    HD3  ARG   9           HD1      ARG   9   4.136  -1.355  -6.384
   66    HE   ARG   9           HE       ARG   9   2.610   0.937  -5.977
   67   HH11  ARG   9          HH11      ARG   9   5.331  -0.028  -7.979
   68   HH12  ARG   9          HH12      ARG   9   4.939   1.086  -9.247
   69   HH21  ARG   9          HH21      ARG   9   2.117   2.385  -7.651
   70   HH22  ARG   9          HH22      ARG   9   3.122   2.449  -9.060
   71    HA   PRO  10           HA       PRO  10   5.539  -5.562  -0.310
   72    HB2  PRO  10           HB2      PRO  10   3.480  -6.201   1.579
   73    HB3  PRO  10           HB1      PRO  10   5.024  -5.397   1.905
   74    HG2  PRO  10           HG2      PRO  10   2.556  -4.209   2.168
   75    HG3  PRO  10           HG1      PRO  10   4.088  -3.341   1.956
   76    HD2  PRO  10           HD2      PRO  10   1.993  -3.993  -0.075
   77    HD3  PRO  10           HD1      PRO  10   2.961  -2.515   0.117
   78    HA   PRO  11           HA       PRO  11   3.379  -8.964  -2.288
   79    HB2  PRO  11           HB2      PRO  11   4.195 -10.943  -0.292
   80    HB3  PRO  11           HB1      PRO  11   4.762 -10.749  -1.960
   81    HG2  PRO  11           HG2      PRO  11   6.336 -10.246   0.159
   82    HG3  PRO  11           HG1      PRO  11   6.472  -9.356  -1.371
   83    HD2  PRO  11           HD2      PRO  11   5.133  -8.525   1.177
   84    HD3  PRO  11           HD1      PRO  11   6.177  -7.584   0.091
   85    H    GLY  12           HN       GLY  12   1.229  -9.046  -2.237
   86    HA2  GLY  12           HA2      GLY  12  -0.186 -10.596  -0.325
   87    HA3  GLY  12           HA1      GLY  12  -0.427  -8.887  -0.007
   88    H    PHE  13           HN       PHE  13   0.082  -9.663  -3.295
   89    HA   PHE  13           HA       PHE  13  -1.183  -9.782  -5.164
   90    HB2  PHE  13           HB2      PHE  13  -3.398 -10.617  -3.285
   91    HB3  PHE  13           HB1      PHE  13  -3.560 -10.580  -5.036
   92    HD1  PHE  13           HD1      PHE  13  -2.023 -12.283  -2.190
   93    HD2  PHE  13           HD2      PHE  13  -2.451 -12.215  -6.423
   94    HE1  PHE  13           HE1      PHE  13  -1.099 -14.560  -2.316
   95    HE2  PHE  13           HE2      PHE  13  -1.528 -14.492  -6.557
   96    HZ   PHE  13           HZ       PHE  13  -0.851 -15.667  -4.502
   97    H    SER  14           HN       SER  14  -2.973  -8.121  -2.560
   98    HA   SER  14           HA       SER  14  -3.483  -5.922  -4.439
   99    HB2  SER  14           HB2      SER  14  -5.481  -7.055  -2.471
  100    HB3  SER  14           HB1      SER  14  -5.729  -5.611  -3.451
  101    HG   SER  14           HG       SER  14  -6.482  -6.977  -4.858
  102    HA   PRO  15           HA       PRO  15  -1.621  -4.086  -0.634
  103    HB2  PRO  15           HB2      PRO  15  -0.124  -2.174  -1.801
  104    HB3  PRO  15           HB1      PRO  15   0.389  -3.872  -1.778
  105    HG2  PRO  15           HG2      PRO  15  -0.834  -2.299  -3.988
  106    HG3  PRO  15           HG1      PRO  15   0.477  -3.495  -4.041
  107    HD2  PRO  15           HD2      PRO  15  -2.148  -4.053  -4.698
  108    HD3  PRO  15           HD1      PRO  15  -0.972  -5.268  -4.164
  109    H    LEU  16           HN       LEU  16  -1.443  -1.642   0.034
  110    HA   LEU  16           HA       LEU  16  -3.954  -0.305  -0.744
  111    HB2  LEU  16           HB2      LEU  16  -2.499  -0.378   1.896
  112    HB3  LEU  16           HB1      LEU  16  -3.765   0.782   1.549
  113    HG   LEU  16           HG       LEU  16  -4.375  -2.121   1.197
  114   HD11  LEU  16          HD11      LEU  16  -4.987  -2.298   3.562
  115   HD12  LEU  16          HD12      LEU  16  -4.277  -0.711   3.859
  116   HD13  LEU  16          HD13      LEU  16  -3.252  -2.054   3.351
  117   HD21  LEU  16          HD21      LEU  16  -6.588  -1.386   1.945
  118   HD22  LEU  16          HD22      LEU  16  -6.031  -0.442   0.564
  119   HD23  LEU  16          HD23      LEU  16  -5.965   0.247   2.187