*HEADER    BIOSYNTHETIC PROTEIN                    03-SEP-19   6U7S              
*TITLE     NMR SOLUTION STRUCTURE OF SFTI-1 BASED PLASMIN INHIBITOR              
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: GLY-ARG-CYS-TYR-LYS-SER-LYS-PRO-PRO-ILE-CYS-PHE-PRO-ASP    
*COMPND   3 INHIBITOR;                                                           
*COMPND   4 CHAIN: A;                                                            
*COMPND   5 ENGINEERED: YES;                                                     
*COMPND   6 MUTATION: YES                                                        
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: HELIANTHUS ANNUUS;                              
*SOURCE   4 ORGANISM_COMMON: COMMON SUNFLOWER;                                   
*SOURCE   5 ORGANISM_TAXID: 4232                                                 
*KEYWDS    PLASMIN INHIBITOR, BIOSYNTHETIC PROTEIN                               
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    A.M.WHITE,P.J.HARVEY,T.DUREK,D.J.CRAIK                                
*REVDAT   1   22-APR-20 6U7S    0                                                
# Restraints file 1: restraints.tbl
!distance restraints
assign (resid   2 and name   HN)   (resid   2 and name  HG2)   3.580    1.780    1.780  
assign (resid   2 and name   HN)   (resid   2 and name  HG1)   3.580    1.780    1.780  
assign (resid   2 and name   HA)   (resid   3 and name   HN)   2.355    0.555    0.555  
assign (resid   3 and name   HA)   (resid   4 and name   HN)   2.430    0.630    0.630  
assign (resid   4 and name   HA)   (resid   5 and name   HN)   2.430    0.630    0.630  
assign (resid   5 and name   HA)   (resid   6 and name   HN)   2.675    0.875    0.875  
assign (resid   6 and name   HA)   (resid   7 and name   HN)   2.625    0.825    0.825  
assign (resid   7 and name   HN)   (resid   7 and name  HB1)   2.900    1.100    1.100  
assign (resid   7 and name   HN)   (resid   7 and name  HB2)   2.900    1.100    1.100  
assign (resid   8 and name   HA)   (resid   9 and name  HD2)   2.690    0.890    0.890  
assign (resid   8 and name   HA)   (resid   9 and name  HD1)   2.690    0.890    0.890  
assign (resid   9 and name   HA)   (resid  10 and name   HN)   2.400    0.600    0.600  
assign (resid  10 and name   HN)   (resid  10 and name   HB)   2.900    1.100    1.100  
assign (resid  10 and name   HN)   (resid  10 and name HG11)   3.415    1.615    1.615  
assign (resid  10 and name   HN)   (resid  10 and name HG2#)   3.240    1.440    1.440  
assign (resid  10 and name   HA)   (resid  11 and name   HN)   2.380    0.580    0.580  
assign (resid  11 and name   HA)   (resid  12 and name   HN)   2.390    0.590    0.590  
assign (resid  12 and name   HN)   (resid  12 and name  HB2)   2.585    0.785    0.785  
assign (resid  12 and name   HA)   (resid  13 and name  HD2)   2.505    0.705    0.705  
assign (resid  12 and name   HA)   (resid  13 and name  HD1)   2.660    0.860    0.860  
assign (resid  14 and name   HN)   (resid  14 and name  HB2)   2.895    1.095    1.095  
assign (resid  14 and name   HN)   (resid  14 and name  HB1)   2.895    1.095    1.095  
assign (resid   1 and name   HN)   (resid  14 and name   HA)   3.035    1.235    1.235  
assign (resid   4 and name   HN)   (resid  11 and name   HA)   3.085    1.285    1.285  
assign (resid   3 and name   HA)   (resid  12 and name   HN)   3.040    1.240    1.240  
assign (resid   6 and name  HB2)   (resid   7 and name   HN)   3.070    1.270    1.270  
assign (resid   6 and name  HB1)   (resid   7 and name   HN)   3.070    1.270    1.270  
assign (resid  13 and name  HD2)   (resid  14 and name   HN)   3.085    1.285    1.285  
assign (resid  12 and name  HB1)   (resid  14 and name   HN)   2.860    1.060    1.060  
assign (resid  11 and name  HB2)   (resid  12 and name   HN)   3.450    1.650    1.650  
assign (resid  11 and name  HB1)   (resid  12 and name   HN)   3.450    1.650    1.650  
assign (resid   4 and name  HB2)   (resid   5 and name   HN)   3.220    1.420    1.420  
assign (resid   4 and name  HB1)   (resid   5 and name   HN)   3.220    1.420    1.420  
assign (resid   1 and name   HN)   (resid  12 and name  HB2)   3.480    1.680    1.680  
assign (resid   2 and name   HN)   (resid  12 and name  HB2)   3.085    1.285    1.285  
assign (resid   4 and name   HN)   (resid  10 and name   HN)   3.005    1.205    1.205  
assign (resid   1 and name   HN)   (resid   2 and name   HN)   2.685    0.885    0.885  
assign (resid   1 and name   HN)   (resid  14 and name   HN)   2.685    0.885    0.885  
assign (resid   6 and name   HN)   (resid   7 and name   HN)   3.270    1.470    1.470  
assign (resid   5 and name   HN)   (resid   6 and name   HN)   3.290    1.490    1.490  
assign (resid   1 and name   HN)   (resid  12 and name   HN)   3.650    1.850    1.850  
assign (resid  11 and name   HN)   (resid  12 and name   HN)   3.650    1.850    1.850  
assign (resid   4 and name   HN)   (resid   5 and name   HN)   3.265    1.465    1.465  
assign (resid   2 and name   HN)   (resid  12 and name   HN)   3.320    1.520    1.520  
assign (resid  12 and name   HN)   (resid  12 and name  HD#)   3.195    1.395    1.395  
assign (resid   4 and name   HN)   (resid   4 and name  HD#)   3.350    1.550    1.550  
assign (resid   4 and name   HN)   (resid  10 and name   HB)   3.450    1.650    1.650  
assign (resid   4 and name   HN)   (resid  10 and name HG2#)   3.480    1.680    1.680  
assign (resid  12 and name  HD#)   (resid  13 and name  HD2)   3.090    1.290    1.290  
assign (resid  12 and name   HA)   (resid  12 and name  HD#)   3.245    1.445    1.445  
assign (resid  11 and name   HA)   (resid  12 and name  HD#)   3.425    1.625    1.625  
assign (resid   3 and name   HA)   (resid  12 and name  HD#)   3.545    1.745    1.745  
assign (resid   2 and name  HB2)   (resid  12 and name  HD#)   3.520    1.720    1.720  
assign (resid   2 and name  HB1)   (resid  12 and name  HD#)   3.520    1.720    1.720  
assign (resid   4 and name   HA)   (resid   4 and name  HD#)   3.150    1.350    1.350  
assign (resid   3 and name   HA)   (resid  11 and name   HA)   2.545    0.745    0.745  
assign (resid  10 and name   HN)   (resid  10 and name HG12)   3.415    1.615    1.615  
assign (resid   5 and name   HN)   (resid   5 and name  HD2)   3.650    1.850    1.850  
assign (resid   5 and name   HN)   (resid   5 and name  HD1)   3.650    1.850    1.850  
assign (resid   2 and name  HG2)   (resid   3 and name   HN)   3.650    1.850    1.850  
assign (resid   2 and name  HG1)   (resid   3 and name   HN)   3.650    1.850    1.850  
assign (resid  12 and name  HB2)   (resid  13 and name  HD2)   2.915    1.115    1.115  
assign (resid  12 and name  HB1)   (resid  13 and name  HD2)   2.565    0.765    0.765  
assign (resid   7 and name   HA)   (resid   9 and name  HD2)   3.355    1.555    1.555  
assign (resid   7 and name   HA)   (resid   9 and name  HD1)   3.355    1.555    1.555  
assign (resid  10 and name   HA)   (resid  10 and name HG2#)   2.955    1.155    1.155  
assign (resid  10 and name   HA)   (resid  10 and name HD1#)   3.190    1.390    1.390  
assign (resid  10 and name   HB)   (resid  10 and name HD1#)   2.985    1.185    1.185  
assign (resid  10 and name HG2#)   (resid  11 and name   HN)   3.205    1.405    1.405  
assign (resid   1 and name   HN)   (resid  14 and name  HB#)   3.565    1.765    1.765  
assign (resid   2 and name   HN)   (resid   2 and name  HB#)   2.605    0.805    0.805  
assign (resid   2 and name   HN)   (resid   2 and name  HG#)   3.240    1.440    1.440  
assign (resid   2 and name   HA)   (resid   2 and name  HG#)   2.730    0.930    0.930  
assign (resid   2 and name   HA)   (resid   2 and name  HD#)   3.570    1.770    1.770  
assign (resid   2 and name  HB#)   (resid   2 and name  HG#)   1.990    0.190    0.190  
assign (resid   2 and name  HB#)   (resid   2 and name   HE)   3.105    1.305    1.305  
assign (resid   2 and name  HB#)   (resid   3 and name   HN)   3.035    1.235    1.235  
assign (resid   2 and name  HB#)   (resid  12 and name  HD#)   3.120    1.320    1.320  
assign (resid   2 and name  HG#)   (resid   3 and name   HN)   3.320    1.520    1.520  
assign (resid   3 and name   HN)   (resid   3 and name  HB#)   2.620    0.820    0.820  
assign (resid   3 and name  HB#)   (resid   4 and name   HN)   2.865    1.065    1.065  
assign (resid   4 and name   HN)   (resid   4 and name  HB#)   2.615    0.815    0.815  
assign (resid   4 and name  HB#)   (resid   5 and name   HN)   2.835    1.035    1.035  
assign (resid   4 and name  HB#)   (resid   6 and name   HN)   3.230    1.430    1.430  
assign (resid   4 and name  HB#)   (resid  10 and name   HN)   3.045    1.245    1.245  
assign (resid   4 and name  HB#)   (resid  10 and name HG2#)   3.260    1.460    1.460  
assign (resid   5 and name   HN)   (resid   5 and name  HB#)   2.625    0.825    0.825  
assign (resid   5 and name   HN)   (resid   5 and name  HG#)   3.345    1.545    1.545  
assign (resid   6 and name  HB#)   (resid   7 and name   HN)   2.640    0.840    0.840  
assign (resid   7 and name   HN)   (resid   7 and name  HG#)   3.420    1.620    1.620  
assign (resid   7 and name   HA)   (resid   9 and name  HD#)   2.945    1.145    1.145  
assign (resid   8 and name   HA)   (resid   9 and name  HD#)   2.425    0.625    0.625  
assign (resid   8 and name  HB#)   (resid   9 and name  HD#)   2.870    1.070    1.070  
assign (resid  10 and name   HN)   (resid  10 and name HG1#)   3.095    1.295    1.295  
assign (resid  11 and name   HN)   (resid  11 and name  HB#)   2.735    0.935    0.935  
assign (resid  11 and name  HB#)   (resid  12 and name   HN)   3.100    1.300    1.300  
assign (resid  13 and name  HB#)   (resid  14 and name   HN)   2.915    1.115    1.115  
assign (resid  14 and name   HN)   (resid  14 and name  HB#)   2.600    0.800    0.800  
!dihedral restraints
assign (resid 2     and name C    ) (resid 3     and name N    ) (resid 3     and name CA   ) (resid 3     and name C    )    1.0 -121.4   20.4 2
assign (resid 3     and name N    ) (resid 3     and name CA   ) (resid 3     and name C    ) (resid 4     and name N    )    1.0  147.3   20.1 2
assign (resid 3     and name C    ) (resid 4     and name N    ) (resid 4     and name CA   ) (resid 4     and name C    )    1.0 -110.9   23.8 2
assign (resid 4     and name N    ) (resid 4     and name CA   ) (resid 4     and name C    ) (resid 5     and name N    )    1.0  128.8   26.9 2
assign (resid 5     and name C    ) (resid 6     and name N    ) (resid 6     and name CA   ) (resid 6     and name C    )    1.0  -97.3   54.7 2
assign (resid 6     and name N    ) (resid 6     and name CA   ) (resid 6     and name C    ) (resid 7     and name N    )    1.0  150.3   35.4 2
assign (resid 6     and name C    ) (resid 7     and name N    ) (resid 7     and name CA   ) (resid 7     and name C    )    1.0  -86.6   36.6 2
assign (resid 7     and name N    ) (resid 7     and name CA   ) (resid 7     and name C    ) (resid 8     and name N    )    1.0  140.4   44.0 2
assign (resid 8     and name N    ) (resid 8     and name CA   ) (resid 8     and name C    ) (resid 9     and name N    )    1.0  151.6   20.0 2
assign (resid 9     and name N    ) (resid 9     and name CA   ) (resid 9     and name C    ) (resid 10    and name N    )    1.0  127.9   70.0 2
assign (resid 9     and name C    ) (resid 10    and name N    ) (resid 10    and name CA   ) (resid 10    and name C    )    1.0 -103.6   31.7 2
assign (resid 10    and name N    ) (resid 10    and name CA   ) (resid 10    and name C    ) (resid 11    and name N    )    1.0  124.0   20.0 2
assign (resid 10    and name C    ) (resid 11    and name N    ) (resid 11    and name CA   ) (resid 11    and name C    )    1.0 -101.4   31.7 2
assign (resid 11    and name N    ) (resid 11    and name CA   ) (resid 11    and name C    ) (resid 12    and name N    )    1.0  130.2   30.5 2
assign (resid 11    and name C    ) (resid 12    and name N    ) (resid 12    and name CA   ) (resid 12    and name C    )    1.0 -107.9   35.2 2
assign (resid 12    and name N    ) (resid 12    and name CA   ) (resid 12    and name C    ) (resid 13    and name N    )    1.0  100.5   31.0 2
assign (resid 13    and name C    ) (resid 14    and name N    ) (resid 14    and name CA   ) (resid 14    and name C    )    1.0  -85.7   20.0 2
assign (resid 3     and name N    ) (resid 3     and name CA   ) (resid 3     and name CB   ) (resid 3     and name SG   )    1.0  -60.0   30.0 2
!H-Bond
assign (resid 12 and name HN)(resid 2 and name O) 0 0 2
assign (resid 12 and name N)(resid 2 and name O) 0 0 3

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   GLY   1           H        GLY   1  -8.103   0.769   1.779
    2    HA2  GLY   1          2HA       GLY   1  -7.705  -0.662   3.715
    3    HA3  GLY   1          1HA       GLY   1  -8.793  -1.831   2.976
    4    H    ARG   2           H        ARG   2  -7.029  -0.513   0.552
    5    HA   ARG   2           HA       ARG   2  -5.376  -2.886   0.384
    6    HB2  ARG   2          2HB       ARG   2  -5.715  -0.589  -1.549
    7    HB3  ARG   2          1HB       ARG   2  -4.691  -1.981  -1.836
    8    HG2  ARG   2          2HG       ARG   2  -6.666  -3.425  -1.751
    9    HG3  ARG   2          1HG       ARG   2  -7.689  -1.998  -1.527
   10    HD2  ARG   2          2HD       ARG   2  -6.908  -1.103  -3.662
   11    HD3  ARG   2          1HD       ARG   2  -5.852  -2.494  -3.861
   12    HE   ARG   2           HE       ARG   2  -8.584  -3.242  -3.535
   13   HH11  ARG   2          1HH1      ARG   2  -6.239  -2.032  -5.909
   14   HH12  ARG   2          2HH1      ARG   2  -7.018  -2.743  -7.241
   15   HH21  ARG   2          1HH2      ARG   2  -9.678  -4.193  -5.440
   16   HH22  ARG   2          2HH2      ARG   2  -8.988  -3.967  -6.982
   17    H    CYS   3           H        CYS   3  -3.605  -2.825   1.601
   18    HA   CYS   3           HA       CYS   3  -1.913  -0.460   1.394
   19    HB2  CYS   3          2HB       CYS   3  -2.430  -2.257   3.726
   20    HB3  CYS   3          1HB       CYS   3  -0.904  -1.386   3.590
   21    H    TYR   4           H        TYR   4  -0.031  -0.690   0.565
   22    HA   TYR   4           HA       TYR   4   0.954  -3.400   0.119
   23    HB2  TYR   4          2HB       TYR   4   1.448  -0.866  -1.463
   24    HB3  TYR   4          1HB       TYR   4   2.161  -2.438  -1.818
   25    HD1  TYR   4          1HD       TYR   4   0.738  -4.284  -2.625
   26    HD2  TYR   4          2HD       TYR   4  -0.840  -0.378  -2.059
   27    HE1  TYR   4          1HE       TYR   4  -1.211  -4.889  -3.967
   28    HE2  TYR   4          2HE       TYR   4  -2.807  -0.977  -3.405
   29    HH   TYR   4           HH       TYR   4  -3.545  -4.164  -4.221
   30    H    LYS   5           H        LYS   5   2.701  -3.942   1.139
   31    HA   LYS   5           HA       LYS   5   4.097  -2.048   2.800
   32    HB2  LYS   5          2HB       LYS   5   4.632  -4.990   2.336
   33    HB3  LYS   5          1HB       LYS   5   5.309  -3.999   3.622
   34    HG2  LYS   5          2HG       LYS   5   3.168  -3.725   4.632
   35    HG3  LYS   5          1HG       LYS   5   2.376  -4.526   3.278
   36    HD2  LYS   5          2HD       LYS   5   3.682  -6.579   3.827
   37    HD3  LYS   5          1HD       LYS   5   4.283  -5.742   5.260
   38    HE2  LYS   5          2HE       LYS   5   2.377  -7.193   5.803
   39    HE3  LYS   5          1HE       LYS   5   2.002  -5.497   6.095
   40    HZ1  LYS   5          1HZ       LYS   5   0.801  -5.424   4.017
   41    HZ2  LYS   5          2HZ       LYS   5   0.174  -6.672   4.931
   42    HZ3  LYS   5          3HZ       LYS   5   1.223  -6.995   3.652
   43    H    SER   6           H        SER   6   5.174  -0.739   1.496
   44    HA   SER   6           HA       SER   6   7.481  -1.765   0.115
   45    HB2  SER   6          2HB       SER   6   5.351  -0.090  -1.263
   46    HB3  SER   6          1HB       SER   6   6.887  -0.586  -1.973
   47    HG   SER   6           HG       SER   6   5.652  -2.724  -1.006
   48    H    LYS   7           H        LYS   7   8.513   0.417  -0.854
   49    HA   LYS   7           HA       LYS   7   8.050   2.548   1.077
   50    HB2  LYS   7          2HB       LYS   7  10.689   1.626  -0.084
   51    HB3  LYS   7          1HB       LYS   7  10.490   3.094   0.862
   52    HG2  LYS   7          2HG       LYS   7   9.859   0.327   1.866
   53    HG3  LYS   7          1HG       LYS   7  11.381   1.167   2.157
   54    HD2  LYS   7          2HD       LYS   7  10.228   2.918   3.366
   55    HD3  LYS   7          1HD       LYS   7   8.663   2.210   2.973
   56    HE2  LYS   7          2HE       LYS   7  10.806   0.857   4.591
   57    HE3  LYS   7          1HE       LYS   7   9.436   1.713   5.280
   58    HZ1  LYS   7          1HZ       LYS   7   7.975   0.113   4.042
   59    HZ2  LYS   7          2HZ       LYS   7   8.903  -0.568   5.237
   60    HZ3  LYS   7          3HZ       LYS   7   9.360  -0.770   3.634
   61    HA   PRO   8           HA       PRO   8   7.237   4.307   1.214
   62    HB2  PRO   8          2HB       PRO   8   5.117   5.749  -0.165
   63    HB3  PRO   8          1HB       PRO   8   6.366   6.389   0.904
   64    HG2  PRO   8          2HG       PRO   8   6.310   6.924  -1.754
   65    HG3  PRO   8          1HG       PRO   8   7.817   6.816  -0.829
   66    HD2  PRO   8          2HD       PRO   8   6.521   4.747  -2.577
   67    HD3  PRO   8          1HD       PRO   8   8.226   5.247  -2.505
   68    HA   PRO   9           HA       PRO   9   4.015   1.237   1.131
   69    HB2  PRO   9          2HB       PRO   9   2.753   1.787   3.479
   70    HB3  PRO   9          1HB       PRO   9   4.312   0.962   3.401
   71    HG2  PRO   9          2HG       PRO   9   3.712   3.823   4.007
   72    HG3  PRO   9          1HG       PRO   9   4.921   2.754   4.735
   73    HD2  PRO   9          2HD       PRO   9   5.506   4.632   2.840
   74    HD3  PRO   9          1HD       PRO   9   6.441   3.138   3.057
   75    H    ILE  10           H        ILE  10   2.547   1.549  -0.334
   76    HA   ILE  10           HA       ILE  10   0.894   3.915  -0.419
   77    HB   ILE  10           HB       ILE  10   0.897   1.492  -2.251
   78   HG12  ILE  10          2HG1      ILE  10   2.229   4.191  -2.615
   79   HG13  ILE  10          1HG1      ILE  10   3.067   2.700  -2.206
   80   HG21  ILE  10          1HG2      ILE  10  -1.199   2.760  -2.346
   81   HG22  ILE  10          2HG2      ILE  10  -0.277   2.960  -3.835
   82   HG23  ILE  10          3HG2      ILE  10  -0.294   4.247  -2.630
   83   HD11  ILE  10          1HD1      ILE  10   2.392   1.743  -4.354
   84   HD12  ILE  10          2HD1      ILE  10   3.304   3.238  -4.564
   85   HD13  ILE  10          3HD1      ILE  10   1.551   3.241  -4.754
   86    H    CYS  11           H        CYS  11  -0.933   4.019   0.688
   87    HA   CYS  11           HA       CYS  11  -2.523   1.597   0.942
   88    HB2  CYS  11          2HB       CYS  11  -2.065   3.752   2.988
   89    HB3  CYS  11          1HB       CYS  11  -3.435   2.655   3.055
   90    H    PHE  12           H        PHE  12  -4.310   1.679   0.028
   91    HA   PHE  12           HA       PHE  12  -5.571   4.206  -0.666
   92    HB2  PHE  12          2HB       PHE  12  -6.285   1.353  -1.428
   93    HB3  PHE  12          1HB       PHE  12  -7.124   2.787  -1.990
   94    HD1  PHE  12          1HD       PHE  12  -6.120   4.266  -3.634
   95    HD2  PHE  12          2HD       PHE  12  -4.108   0.746  -2.332
   96    HE1  PHE  12          1HE       PHE  12  -4.592   4.438  -5.538
   97    HE2  PHE  12          2HE       PHE  12  -2.572   0.923  -4.250
   98    HZ   PHE  12           HZ       PHE  12  -2.812   2.764  -5.849
   99    HA   PRO  13           HA       PRO  13  -8.025   3.974   3.025
  100    HB2  PRO  13          2HB       PRO  13 -10.268   5.312   2.088
  101    HB3  PRO  13          1HB       PRO  13  -8.813   6.086   2.723
  102    HG2  PRO  13          2HG       PRO  13  -9.613   5.587  -0.107
  103    HG3  PRO  13          1HG       PRO  13  -8.812   7.003   0.595
  104    HD2  PRO  13          2HD       PRO  13  -7.459   5.173  -0.823
  105    HD3  PRO  13          1HD       PRO  13  -6.731   5.976   0.584
  106    H    ASP  14           H        ASP  14  -8.897   2.454   0.176
  107    HA   ASP  14           HA       ASP  14 -11.369   1.237   0.922
  108    HB2  ASP  14          2HB       ASP  14  -9.274   0.284  -1.035
  109    HB3  ASP  14          1HB       ASP  14 -10.930  -0.297  -0.929
  Start of MODEL    2
    1    H1   GLY   1           H        GLY   1  -8.254   0.926   1.671
    2    HA2  GLY   1          2HA       GLY   1  -7.797  -0.109   3.796
    3    HA3  GLY   1          1HA       GLY   1  -9.112  -1.229   3.479
    4    H    ARG   2           H        ARG   2  -6.281  -0.226   1.604
    5    HA   ARG   2           HA       ARG   2  -5.218  -2.945   1.785
    6    HB2  ARG   2          2HB       ARG   2  -5.743  -1.458  -0.776
    7    HB3  ARG   2          1HB       ARG   2  -4.575  -2.755  -0.664
    8    HG2  ARG   2          2HG       ARG   2  -6.339  -4.318  -0.104
    9    HG3  ARG   2          1HG       ARG   2  -7.522  -3.005  -0.113
   10    HD2  ARG   2          2HD       ARG   2  -5.820  -3.799  -2.473
   11    HD3  ARG   2          1HD       ARG   2  -7.502  -4.284  -2.237
   12    HE   ARG   2           HE       ARG   2  -7.912  -1.798  -2.089
   13   HH11  ARG   2          1HH1      ARG   2  -5.351  -3.131  -4.214
   14   HH12  ARG   2          2HH1      ARG   2  -5.512  -1.903  -5.372
   15   HH21  ARG   2          1HH2      ARG   2  -8.063  -0.152  -3.646
   16   HH22  ARG   2          2HH2      ARG   2  -7.105  -0.149  -5.077
   17    H    CYS   3           H        CYS   3  -3.291  -2.567   2.744
   18    HA   CYS   3           HA       CYS   3  -1.732  -0.332   1.713
   19    HB2  CYS   3          2HB       CYS   3  -1.502  -1.928   4.266
   20    HB3  CYS   3          1HB       CYS   3  -0.263  -0.813   3.705
   21    H    TYR   4           H        TYR   4  -0.134  -0.711   0.425
   22    HA   TYR   4           HA       TYR   4   0.708  -3.478   0.112
   23    HB2  TYR   4          2HB       TYR   4   0.845  -1.116  -1.768
   24    HB3  TYR   4          1HB       TYR   4   1.655  -2.646  -2.093
   25    HD1  TYR   4          1HD       TYR   4   0.411  -4.584  -2.777
   26    HD2  TYR   4          2HD       TYR   4  -1.629  -0.994  -1.768
   27    HE1  TYR   4          1HE       TYR   4  -1.641  -5.495  -3.739
   28    HE2  TYR   4          2HE       TYR   4  -3.700  -1.898  -2.734
   29    HH   TYR   4           HH       TYR   4  -4.058  -5.168  -3.505
   30    H    LYS   5           H        LYS   5   2.642  -4.065   0.589
   31    HA   LYS   5           HA       LYS   5   4.260  -2.231   2.030
   32    HB2  LYS   5          2HB       LYS   5   5.770  -4.217   2.390
   33    HB3  LYS   5          1HB       LYS   5   4.132  -4.367   2.998
   34    HG2  LYS   5          2HG       LYS   5   3.563  -5.683   0.972
   35    HG3  LYS   5          1HG       LYS   5   5.269  -5.627   0.515
   36    HD2  LYS   5          2HD       LYS   5   5.884  -6.768   2.545
   37    HD3  LYS   5          1HD       LYS   5   4.222  -6.718   3.118
   38    HE2  LYS   5          2HE       LYS   5   3.571  -8.085   1.136
   39    HE3  LYS   5          1HE       LYS   5   5.282  -8.222   0.732
   40    HZ1  LYS   5          1HZ       LYS   5   5.653  -9.301   2.867
   41    HZ2  LYS   5          2HZ       LYS   5   4.504 -10.125   1.942
   42    HZ3  LYS   5          3HZ       LYS   5   4.003  -9.180   3.232
   43    H    SER   6           H        SER   6   5.262  -0.812   1.016
   44    HA   SER   6           HA       SER   6   7.414  -1.491  -0.744
   45    HB2  SER   6          2HB       SER   6   6.617   0.322  -2.316
   46    HB3  SER   6          1HB       SER   6   5.623  -1.133  -2.327
   47    HG   SER   6           HG       SER   6   5.035   1.413  -1.258
   48    H    LYS   7           H        LYS   7   8.579   0.815  -1.072
   49    HA   LYS   7           HA       LYS   7   8.009   2.381   1.305
   50    HB2  LYS   7          2HB       LYS   7  10.462   2.924   1.455
   51    HB3  LYS   7          1HB       LYS   7  10.055   1.257   1.805
   52    HG2  LYS   7          2HG       LYS   7  10.778   0.658  -0.494
   53    HG3  LYS   7          1HG       LYS   7  11.282   2.332  -0.728
   54    HD2  LYS   7          2HD       LYS   7  12.830   2.136   1.149
   55    HD3  LYS   7          1HD       LYS   7  12.310   0.470   1.408
   56    HE2  LYS   7          2HE       LYS   7  13.107  -0.104  -0.846
   57    HE3  LYS   7          1HE       LYS   7  13.676   1.553  -1.046
   58    HZ1  LYS   7          1HZ       LYS   7  15.167   1.202   0.847
   59    HZ2  LYS   7          2HZ       LYS   7  15.464   0.104  -0.395
   60    HZ3  LYS   7          3HZ       LYS   7  14.622  -0.397   0.972
   61    HA   PRO   8           HA       PRO   8   7.245   4.086   1.916
   62    HB2  PRO   8          2HB       PRO   8   5.195   5.785   1.467
   63    HB3  PRO   8          1HB       PRO   8   6.840   6.368   1.752
   64    HG2  PRO   8          2HG       PRO   8   5.381   6.010  -0.839
   65    HG3  PRO   8          1HG       PRO   8   6.380   7.374  -0.300
   66    HD2  PRO   8          2HD       PRO   8   7.298   5.428  -1.963
   67    HD3  PRO   8          1HD       PRO   8   8.347   6.303  -0.834
   68    HA   PRO   9           HA       PRO   9   4.014   1.121   1.002
   69    HB2  PRO   9          2HB       PRO   9   2.539   1.854   3.419
   70    HB3  PRO   9          1HB       PRO   9   3.444   0.376   3.081
   71    HG2  PRO   9          2HG       PRO   9   4.280   2.202   4.895
   72    HG3  PRO   9          1HG       PRO   9   5.405   1.222   3.939
   73    HD2  PRO   9          2HD       PRO   9   4.539   4.061   3.520
   74    HD3  PRO   9          1HD       PRO   9   6.161   3.341   3.402
   75    H    ILE  10           H        ILE  10   2.355   1.296  -0.339
   76    HA   ILE  10           HA       ILE  10   0.848   3.774  -0.351
   77    HB   ILE  10           HB       ILE  10   0.806   1.478  -2.342
   78   HG12  ILE  10          2HG1      ILE  10   2.137   4.201  -2.477
   79   HG13  ILE  10          1HG1      ILE  10   2.965   2.665  -2.276
   80   HG21  ILE  10          1HG2      ILE  10  -0.403   3.044  -3.811
   81   HG22  ILE  10          2HG2      ILE  10  -0.423   4.238  -2.514
   82   HG23  ILE  10          3HG2      ILE  10  -1.307   2.725  -2.330
   83   HD11  ILE  10          1HD1      ILE  10   2.198   1.985  -4.508
   84   HD12  ILE  10          2HD1      ILE  10   3.157   3.464  -4.554
   85   HD13  ILE  10          3HD1      ILE  10   1.399   3.545  -4.693
   86    H    CYS  11           H        CYS  11  -0.922   3.897   0.773
   87    HA   CYS  11           HA       CYS  11  -2.465   1.457   1.231
   88    HB2  CYS  11          2HB       CYS  11  -2.233   3.928   2.937
   89    HB3  CYS  11          1HB       CYS  11  -3.400   2.645   3.223
   90    H    PHE  12           H        PHE  12  -4.081   1.341  -0.022
   91    HA   PHE  12           HA       PHE  12  -5.333   3.674  -1.091
   92    HB2  PHE  12          2HB       PHE  12  -6.026   0.754  -1.380
   93    HB3  PHE  12          1HB       PHE  12  -6.916   2.047  -2.145
   94    HD1  PHE  12          1HD       PHE  12  -6.090   3.226  -4.023
   95    HD2  PHE  12          2HD       PHE  12  -3.713   0.254  -2.132
   96    HE1  PHE  12          1HE       PHE  12  -4.567   3.232  -5.943
   97    HE2  PHE  12          2HE       PHE  12  -2.183   0.256  -4.052
   98    HZ   PHE  12           HZ       PHE  12  -2.610   1.750  -5.962
   99    HA   PRO  13           HA       PRO  13  -8.138   4.639   2.158
  100    HB2  PRO  13          2HB       PRO  13  -9.986   5.047  -0.151
  101    HB3  PRO  13          1HB       PRO  13  -9.642   6.117   1.212
  102    HG2  PRO  13          2HG       PRO  13  -8.569   6.571  -1.179
  103    HG3  PRO  13          1HG       PRO  13  -7.645   6.843   0.306
  104    HD2  PRO  13          2HD       PRO  13  -7.367   4.627  -1.694
  105    HD3  PRO  13          1HD       PRO  13  -6.170   5.403  -0.634
  106    H    ASP  14           H        ASP  14  -9.111   2.390  -0.362
  107    HA   ASP  14           HA       ASP  14 -11.462   1.472   0.956
  108    HB2  ASP  14          2HB       ASP  14 -11.516  -0.393  -0.632
  109    HB3  ASP  14          1HB       ASP  14 -11.246   1.135  -1.456
  Start of MODEL    3
    1    H1   GLY   1           H        GLY   1  -8.155   0.444   2.170
    2    HA2  GLY   1          2HA       GLY   1  -7.548  -1.346   3.582
    3    HA3  GLY   1          1HA       GLY   1  -8.767  -2.344   2.796
    4    H    ARG   2           H        ARG   2  -6.714  -0.407   0.849
    5    HA   ARG   2           HA       ARG   2  -5.286  -2.838  -0.026
    6    HB2  ARG   2          2HB       ARG   2  -5.863  -0.386  -1.709
    7    HB3  ARG   2          1HB       ARG   2  -5.228  -1.925  -2.259
    8    HG2  ARG   2          2HG       ARG   2  -7.365  -2.994  -1.803
    9    HG3  ARG   2          1HG       ARG   2  -8.007  -1.472  -1.186
   10    HD2  ARG   2          2HD       ARG   2  -7.519  -0.466  -3.440
   11    HD3  ARG   2          1HD       ARG   2  -7.133  -2.095  -3.998
   12    HE   ARG   2           HE       ARG   2  -9.712  -1.770  -2.749
   13   HH11  ARG   2          1HH1      ARG   2  -7.951  -1.848  -5.820
   14   HH12  ARG   2          2HH1      ARG   2  -9.337  -2.128  -6.766
   15   HH21  ARG   2          1HH2      ARG   2 -11.612  -2.118  -4.048
   16   HH22  ARG   2          2HH2      ARG   2 -11.473  -2.263  -5.734
   17    H    CYS   3           H        CYS   3  -3.455  -2.513   1.294
   18    HA   CYS   3           HA       CYS   3  -1.966  -0.070   0.715
   19    HB2  CYS   3          2HB       CYS   3  -2.290  -1.265   3.481
   20    HB3  CYS   3          1HB       CYS   3  -1.404   0.201   3.065
   21    H    TYR   4           H        TYR   4   0.032  -0.416   0.163
   22    HA   TYR   4           HA       TYR   4   1.037  -3.142   0.286
   23    HB2  TYR   4          2HB       TYR   4   2.020  -0.765  -1.306
   24    HB3  TYR   4          1HB       TYR   4   2.668  -2.400  -1.413
   25    HD1  TYR   4          1HD       TYR   4   0.162  -0.137  -2.618
   26    HD2  TYR   4          2HD       TYR   4   1.074  -4.264  -2.142
   27    HE1  TYR   4          1HE       TYR   4  -1.543  -0.701  -4.284
   28    HE2  TYR   4          2HE       TYR   4  -0.624  -4.836  -3.809
   29    HH   TYR   4           HH       TYR   4  -2.768  -3.759  -4.730
   30    H    LYS   5           H        LYS   5   3.052  -3.662   1.057
   31    HA   LYS   5           HA       LYS   5   3.803  -2.107   3.400
   32    HB2  LYS   5          2HB       LYS   5   5.009  -4.716   2.476
   33    HB3  LYS   5          1HB       LYS   5   5.000  -4.053   4.103
   34    HG2  LYS   5          2HG       LYS   5   2.623  -5.106   2.580
   35    HG3  LYS   5          1HG       LYS   5   3.436  -5.894   3.928
   36    HD2  LYS   5          2HD       LYS   5   2.723  -4.158   5.435
   37    HD3  LYS   5          1HD       LYS   5   2.079  -3.210   4.094
   38    HE2  LYS   5          2HE       LYS   5   1.076  -5.926   4.948
   39    HE3  LYS   5          1HE       LYS   5   0.317  -4.388   5.344
   40    HZ1  LYS   5          1HZ       LYS   5   0.640  -5.481   2.583
   41    HZ2  LYS   5          2HZ       LYS   5  -0.092  -4.017   2.969
   42    HZ3  LYS   5          3HZ       LYS   5  -0.761  -5.438   3.498
   43    H    SER   6           H        SER   6   4.903  -2.692   0.225
   44    HA   SER   6           HA       SER   6   7.632  -2.178   0.434
   45    HB2  SER   6          2HB       SER   6   7.221  -1.517  -2.016
   46    HB3  SER   6          1HB       SER   6   6.815  -3.171  -1.539
   47    HG   SER   6           HG       SER   6   4.987  -1.012  -1.576
   48    H    LYS   7           H        LYS   7   8.771  -0.191   0.105
   49    HA   LYS   7           HA       LYS   7   7.227   2.113   1.009
   50    HB2  LYS   7          2HB       LYS   7  10.210   1.629   0.973
   51    HB3  LYS   7          1HB       LYS   7   9.420   3.055   1.627
   52    HG2  LYS   7          2HG       LYS   7   9.069   0.238   2.656
   53    HG3  LYS   7          1HG       LYS   7  10.087   1.478   3.390
   54    HD2  LYS   7          2HD       LYS   7   8.084   2.885   3.718
   55    HD3  LYS   7          1HD       LYS   7   7.096   1.601   3.028
   56    HE2  LYS   7          2HE       LYS   7   8.807   1.302   5.486
   57    HE3  LYS   7          1HE       LYS   7   7.081   1.660   5.513
   58    HZ1  LYS   7          1HZ       LYS   7   7.511  -0.690   5.835
   59    HZ2  LYS   7          2HZ       LYS   7   8.316  -0.793   4.364
   60    HZ3  LYS   7          3HZ       LYS   7   6.672  -0.453   4.406
   61    HA   PRO   8           HA       PRO   8   7.276   4.373   1.037
   62    HB2  PRO   8          2HB       PRO   8   5.510   5.769  -0.878
   63    HB3  PRO   8          1HB       PRO   8   6.622   6.456   0.310
   64    HG2  PRO   8          2HG       PRO   8   7.153   6.587  -2.307
   65    HG3  PRO   8          1HG       PRO   8   8.441   6.324  -1.117
   66    HD2  PRO   8          2HD       PRO   8   7.028   4.317  -2.842
   67    HD3  PRO   8          1HD       PRO   8   8.771   4.504  -2.547
   68    HA   PRO   9           HA       PRO   9   3.799   1.634   1.241
   69    HB2  PRO   9          2HB       PRO   9   2.575   3.140   3.394
   70    HB3  PRO   9          1HB       PRO   9   3.399   1.582   3.474
   71    HG2  PRO   9          2HG       PRO   9   4.380   3.907   4.549
   72    HG3  PRO   9          1HG       PRO   9   5.380   2.530   4.069
   73    HD2  PRO   9          2HD       PRO   9   4.917   5.118   2.671
   74    HD3  PRO   9          1HD       PRO   9   6.370   4.099   2.739
   75    H    ILE  10           H        ILE  10   2.596   1.961  -0.517
   76    HA   ILE  10           HA       ILE  10   0.844   4.234  -0.771
   77    HB   ILE  10           HB       ILE  10   1.033   1.701  -2.450
   78   HG12  ILE  10          2HG1      ILE  10   2.172   4.458  -2.974
   79   HG13  ILE  10          1HG1      ILE  10   3.106   3.066  -2.449
   80   HG21  ILE  10          1HG2      ILE  10  -0.338   4.329  -3.037
   81   HG22  ILE  10          2HG2      ILE  10  -1.146   2.804  -2.668
   82   HG23  ILE  10          3HG2      ILE  10  -0.206   2.968  -4.153
   83   HD11  ILE  10          1HD1      ILE  10   3.362   3.460  -4.834
   84   HD12  ILE  10          2HD1      ILE  10   1.617   3.321  -5.057
   85   HD13  ILE  10          3HD1      ILE  10   2.554   1.919  -4.541
   86    H    CYS  11           H        CYS  11  -0.902   4.292   0.456
   87    HA   CYS  11           HA       CYS  11  -2.308   1.789   1.016
   88    HB2  CYS  11          2HB       CYS  11  -0.953   2.457   2.946
   89    HB3  CYS  11          1HB       CYS  11  -1.725   4.031   2.951
   90    H    PHE  12           H        PHE  12  -4.106   1.914  -0.061
   91    HA   PHE  12           HA       PHE  12  -5.545   4.427  -0.296
   92    HB2  PHE  12          2HB       PHE  12  -6.159   1.691  -1.458
   93    HB3  PHE  12          1HB       PHE  12  -7.060   3.159  -1.791
   94    HD1  PHE  12          1HD       PHE  12  -4.345   1.088  -2.791
   95    HD2  PHE  12          2HD       PHE  12  -5.793   5.089  -2.899
   96    HE1  PHE  12          1HE       PHE  12  -2.866   1.573  -4.694
   97    HE2  PHE  12          2HE       PHE  12  -4.313   5.578  -4.797
   98    HZ   PHE  12           HZ       PHE  12  -2.852   3.824  -5.698
   99    HA   PRO  13           HA       PRO  13  -8.007   3.500   3.332
  100    HB2  PRO  13          2HB       PRO  13 -10.124   5.131   2.766
  101    HB3  PRO  13          1HB       PRO  13  -8.570   5.715   3.369
  102    HG2  PRO  13          2HG       PRO  13  -9.582   5.597   0.551
  103    HG3  PRO  13          1HG       PRO  13  -8.763   6.931   1.384
  104    HD2  PRO  13          2HD       PRO  13  -7.440   5.336  -0.287
  105    HD3  PRO  13          1HD       PRO  13  -6.677   5.921   1.210
  106    H    ASP  14           H        ASP  14  -8.445   1.919   0.789
  107    HA   ASP  14           HA       ASP  14 -11.235   1.052   1.176
  108    HB2  ASP  14          2HB       ASP  14 -10.601   1.639  -1.147
  109    HB3  ASP  14          1HB       ASP  14  -9.292   0.470  -1.084
  Start of MODEL    4
    1    H1   GLY   1           H        GLY   1  -8.040   0.534   1.714
    2    HA2  GLY   1          2HA       GLY   1  -7.622  -1.226   3.289
    3    HA3  GLY   1          1HA       GLY   1  -8.924  -2.149   2.546
    4    H    ARG   2           H        ARG   2  -6.727  -0.388   0.592
    5    HA   ARG   2           HA       ARG   2  -5.454  -2.907  -0.220
    6    HB2  ARG   2          2HB       ARG   2  -5.926  -0.465  -1.961
    7    HB3  ARG   2          1HB       ARG   2  -5.292  -2.022  -2.481
    8    HG2  ARG   2          2HG       ARG   2  -7.437  -3.072  -1.982
    9    HG3  ARG   2          1HG       ARG   2  -8.071  -1.524  -1.433
   10    HD2  ARG   2          2HD       ARG   2  -7.640  -0.623  -3.717
   11    HD3  ARG   2          1HD       ARG   2  -7.205  -2.262  -4.226
   12    HE   ARG   2           HE       ARG   2  -9.788  -1.819  -2.957
   13   HH11  ARG   2          1HH1      ARG   2  -8.039  -2.411  -6.006
   14   HH12  ARG   2          2HH1      ARG   2  -9.419  -2.940  -6.845
   15   HH21  ARG   2          1HH2      ARG   2 -11.640  -2.577  -4.114
   16   HH22  ARG   2          2HH2      ARG   2 -11.527  -3.048  -5.743
   17    H    CYS   3           H        CYS   3  -3.735  -2.676   1.177
   18    HA   CYS   3           HA       CYS   3  -2.069  -0.334   0.713
   19    HB2  CYS   3          2HB       CYS   3  -2.586  -1.647   3.390
   20    HB3  CYS   3          1HB       CYS   3  -1.500  -0.287   3.099
   21    H    TYR   4           H        TYR   4  -0.095  -0.734   0.219
   22    HA   TYR   4           HA       TYR   4   0.801  -3.514   0.248
   23    HB2  TYR   4          2HB       TYR   4   1.828  -1.172  -1.377
   24    HB3  TYR   4          1HB       TYR   4   2.244  -2.868  -1.594
   25    HD1  TYR   4          1HD       TYR   4  -0.220  -0.271  -2.254
   26    HD2  TYR   4          2HD       TYR   4   0.575  -4.441  -2.536
   27    HE1  TYR   4          1HE       TYR   4  -2.109  -0.518  -3.788
   28    HE2  TYR   4          2HE       TYR   4  -1.308  -4.697  -4.073
   29    HH   TYR   4           HH       TYR   4  -3.378  -3.557  -4.613
   30    H    LYS   5           H        LYS   5   2.381  -4.005   1.617
   31    HA   LYS   5           HA       LYS   5   3.619  -1.900   3.136
   32    HB2  LYS   5          2HB       LYS   5   3.960  -4.901   3.317
   33    HB3  LYS   5          1HB       LYS   5   4.706  -3.750   4.410
   34    HG2  LYS   5          2HG       LYS   5   2.461  -2.998   5.106
   35    HG3  LYS   5          1HG       LYS   5   1.753  -4.224   4.057
   36    HD2  LYS   5          2HD       LYS   5   2.917  -5.970   5.342
   37    HD3  LYS   5          1HD       LYS   5   3.596  -4.731   6.395
   38    HE2  LYS   5          2HE       LYS   5   1.688  -5.722   7.491
   39    HE3  LYS   5          1HE       LYS   5   1.293  -4.073   7.026
   40    HZ1  LYS   5          1HZ       LYS   5   0.473  -6.513   5.538
   41    HZ2  LYS   5          2HZ       LYS   5   0.061  -4.941   5.121
   42    HZ3  LYS   5          3HZ       LYS   5  -0.512  -5.608   6.538
   43    H    SER   6           H        SER   6   4.682  -0.930   1.433
   44    HA   SER   6           HA       SER   6   7.368  -1.885   1.103
   45    HB2  SER   6          2HB       SER   6   5.566  -1.268  -1.262
   46    HB3  SER   6          1HB       SER   6   7.315  -1.515  -1.372
   47    HG   SER   6           HG       SER   6   6.037  -3.460   0.004
   48    H    LYS   7           H        LYS   7   8.426   0.044  -0.416
   49    HA   LYS   7           HA       LYS   7   7.542   2.546   0.850
   50    HB2  LYS   7          2HB       LYS   7  10.369   1.625   0.265
   51    HB3  LYS   7          1HB       LYS   7   9.909   3.120   1.069
   52    HG2  LYS   7          2HG       LYS   7   9.059   1.927   2.955
   53    HG3  LYS   7          1HG       LYS   7   9.266   0.389   2.128
   54    HD2  LYS   7          2HD       LYS   7  11.705   0.769   2.104
   55    HD3  LYS   7          1HD       LYS   7  11.451   2.257   3.029
   56    HE2  LYS   7          2HE       LYS   7  10.435   0.990   4.832
   57    HE3  LYS   7          1HE       LYS   7  10.600  -0.497   3.906
   58    HZ1  LYS   7          1HZ       LYS   7  12.839   1.179   4.891
   59    HZ2  LYS   7          2HZ       LYS   7  12.995  -0.268   4.027
   60    HZ3  LYS   7          3HZ       LYS   7  12.312  -0.275   5.559
   61    HA   PRO   8           HA       PRO   8   7.391   4.748   0.441
   62    HB2  PRO   8          2HB       PRO   8   5.373   5.677  -1.497
   63    HB3  PRO   8          1HB       PRO   8   6.518   6.630  -0.552
   64    HG2  PRO   8          2HG       PRO   8   6.827   6.345  -3.179
   65    HG3  PRO   8          1HG       PRO   8   8.226   6.334  -2.090
   66    HD2  PRO   8          2HD       PRO   8   6.799   4.009  -3.342
   67    HD3  PRO   8          1HD       PRO   8   8.544   4.324  -3.228
   68    HA   PRO   9           HA       PRO   9   4.016   2.214   1.689
   69    HB2  PRO   9          2HB       PRO   9   2.778   3.877   3.473
   70    HB3  PRO   9          1HB       PRO   9   4.262   2.984   3.822
   71    HG2  PRO   9          2HG       PRO   9   3.909   5.839   3.036
   72    HG3  PRO   9          1HG       PRO   9   5.023   5.134   4.220
   73    HD2  PRO   9          2HD       PRO   9   5.804   5.878   1.731
   74    HD3  PRO   9          1HD       PRO   9   6.551   4.528   2.608
   75    H    ILE  10           H        ILE  10   2.854   2.078  -0.184
   76    HA   ILE  10           HA       ILE  10   0.847   4.071  -0.786
   77    HB   ILE  10           HB       ILE  10   1.380   1.388  -2.121
   78   HG12  ILE  10          2HG1      ILE  10   2.203   4.178  -2.970
   79   HG13  ILE  10          1HG1      ILE  10   3.280   2.966  -2.296
   80   HG21  ILE  10          1HG2      ILE  10   0.030   2.289  -3.971
   81   HG22  ILE  10          2HG2      ILE  10  -0.284   3.745  -3.031
   82   HG23  ILE  10          3HG2      ILE  10  -0.908   2.192  -2.480
   83   HD11  ILE  10          1HD1      ILE  10   3.508   3.112  -4.703
   84   HD12  ILE  10          2HD1      ILE  10   1.794   2.763  -4.903
   85   HD13  ILE  10          3HD1      ILE  10   2.871   1.535  -4.237
   86    H    CYS  11           H        CYS  11  -0.818   4.061   0.565
   87    HA   CYS  11           HA       CYS  11  -2.116   1.517   1.119
   88    HB2  CYS  11          2HB       CYS  11  -0.771   2.068   3.074
   89    HB3  CYS  11          1HB       CYS  11  -1.491   3.666   3.139
   90    H    PHE  12           H        PHE  12  -3.934   1.699   0.046
   91    HA   PHE  12           HA       PHE  12  -5.319   4.229  -0.025
   92    HB2  PHE  12          2HB       PHE  12  -5.997   1.560  -1.284
   93    HB3  PHE  12          1HB       PHE  12  -6.921   3.036  -1.507
   94    HD1  PHE  12          1HD       PHE  12  -4.143   1.089  -2.646
   95    HD2  PHE  12          2HD       PHE  12  -5.778   5.010  -2.580
   96    HE1  PHE  12          1HE       PHE  12  -2.713   1.713  -4.543
   97    HE2  PHE  12          2HE       PHE  12  -4.358   5.643  -4.468
   98    HZ   PHE  12           HZ       PHE  12  -2.815   3.994  -5.460
   99    HA   PRO  13           HA       PRO  13  -7.659   3.277   3.583
  100    HB2  PRO  13          2HB       PRO  13  -9.801   4.949   3.094
  101    HB3  PRO  13          1HB       PRO  13  -8.262   5.470   3.780
  102    HG2  PRO  13          2HG       PRO  13  -9.239   5.648   0.969
  103    HG3  PRO  13          1HG       PRO  13  -8.289   6.816   1.900
  104    HD2  PRO  13          2HD       PRO  13  -7.185   5.195   0.039
  105    HD3  PRO  13          1HD       PRO  13  -6.308   5.703   1.494
  106    H    ASP  14           H        ASP  14  -8.672   2.589   0.474
  107    HA   ASP  14           HA       ASP  14 -11.225   1.397   0.943
  108    HB2  ASP  14          2HB       ASP  14 -10.365   1.973  -1.320
  109    HB3  ASP  14          1HB       ASP  14  -9.160   0.703  -1.164
  Start of MODEL    5
    1    H1   GLY   1           H        GLY   1  -8.079   0.765   1.672
    2    HA2  GLY   1          2HA       GLY   1  -7.227   0.013   3.842
    3    HA3  GLY   1          1HA       GLY   1  -8.390  -1.310   3.745
    4    H    ARG   2           H        ARG   2  -6.472  -0.071   1.091
    5    HA   ARG   2           HA       ARG   2  -5.299  -2.764   0.832
    6    HB2  ARG   2          2HB       ARG   2  -5.031  -0.693  -1.301
    7    HB3  ARG   2          1HB       ARG   2  -5.087  -2.428  -1.455
    8    HG2  ARG   2          2HG       ARG   2  -7.500  -2.399  -1.130
    9    HG3  ARG   2          1HG       ARG   2  -7.452  -0.640  -0.923
   10    HD2  ARG   2          2HD       ARG   2  -6.195  -0.677  -3.198
   11    HD3  ARG   2          1HD       ARG   2  -6.917  -2.274  -3.368
   12    HE   ARG   2           HE       ARG   2  -9.052  -0.776  -2.801
   13   HH11  ARG   2          1HH1      ARG   2  -6.471  -0.365  -5.199
   14   HH12  ARG   2          2HH1      ARG   2  -7.420   0.640  -6.210
   15   HH21  ARG   2          1HH2      ARG   2 -10.262   0.595  -4.147
   16   HH22  ARG   2          2HH2      ARG   2  -9.628   1.165  -5.643
   17    H    CYS   3           H        CYS   3  -3.473  -2.508   2.171
   18    HA   CYS   3           HA       CYS   3  -1.748  -0.265   1.447
   19    HB2  CYS   3          2HB       CYS   3  -1.871  -1.896   3.982
   20    HB3  CYS   3          1HB       CYS   3  -0.592  -0.741   3.622
   21    H    TYR   4           H        TYR   4   0.025  -0.642   0.414
   22    HA   TYR   4           HA       TYR   4   0.793  -3.423   0.120
   23    HB2  TYR   4          2HB       TYR   4   1.507  -0.993  -1.496
   24    HB3  TYR   4          1HB       TYR   4   2.306  -2.545  -1.707
   25    HD1  TYR   4          1HD       TYR   4  -0.456  -0.532  -2.665
   26    HD2  TYR   4          2HD       TYR   4   0.793  -4.566  -2.208
   27    HE1  TYR   4          1HE       TYR   4  -2.240  -1.258  -4.190
   28    HE2  TYR   4          2HE       TYR   4  -0.972  -5.300  -3.725
   29    HH   TYR   4           HH       TYR   4  -2.595  -3.283  -5.738
   30    H    LYS   5           H        LYS   5   2.796  -4.150   0.446
   31    HA   LYS   5           HA       LYS   5   4.395  -2.720   2.369
   32    HB2  LYS   5          2HB       LYS   5   4.692  -5.451   1.102
   33    HB3  LYS   5          1HB       LYS   5   5.733  -4.819   2.369
   34    HG2  LYS   5          2HG       LYS   5   3.949  -4.822   3.943
   35    HG3  LYS   5          1HG       LYS   5   2.764  -5.164   2.681
   36    HD2  LYS   5          2HD       LYS   5   3.818  -7.348   2.300
   37    HD3  LYS   5          1HD       LYS   5   4.987  -6.998   3.575
   38    HE2  LYS   5          2HE       LYS   5   3.253  -6.939   5.226
   39    HE3  LYS   5          1HE       LYS   5   2.004  -7.070   3.994
   40    HZ1  LYS   5          1HZ       LYS   5   4.035  -9.157   4.589
   41    HZ2  LYS   5          2HZ       LYS   5   2.768  -9.274   3.469
   42    HZ3  LYS   5          3HZ       LYS   5   2.427  -9.188   5.096
   43    H    SER   6           H        SER   6   5.098  -1.050   1.147
   44    HA   SER   6           HA       SER   6   7.202  -1.613  -0.774
   45    HB2  SER   6          2HB       SER   6   4.902   0.313  -1.262
   46    HB3  SER   6          1HB       SER   6   6.257   0.007  -2.347
   47    HG   SER   6           HG       SER   6   5.312  -2.316  -1.937
   48    H    LYS   7           H        LYS   7   8.269   0.658  -1.204
   49    HA   LYS   7           HA       LYS   7   7.975   2.298   1.187
   50    HB2  LYS   7          2HB       LYS   7  10.113   1.068   1.188
   51    HB3  LYS   7          1HB       LYS   7  10.511   1.771  -0.375
   52    HG2  LYS   7          2HG       LYS   7  10.539   3.986   0.601
   53    HG3  LYS   7          1HG       LYS   7  10.067   3.311   2.161
   54    HD2  LYS   7          2HD       LYS   7  12.137   2.019   2.223
   55    HD3  LYS   7          1HD       LYS   7  12.607   2.703   0.666
   56    HE2  LYS   7          2HE       LYS   7  13.693   3.872   2.512
   57    HE3  LYS   7          1HE       LYS   7  12.599   4.931   1.623
   58    HZ1  LYS   7          1HZ       LYS   7  11.979   3.617   4.219
   59    HZ2  LYS   7          2HZ       LYS   7  10.958   4.654   3.350
   60    HZ3  LYS   7          3HZ       LYS   7  12.398   5.236   3.982
   61    HA   PRO   8           HA       PRO   8   7.267   4.053   1.803
   62    HB2  PRO   8          2HB       PRO   8   5.172   5.733   1.532
   63    HB3  PRO   8          1HB       PRO   8   6.835   6.334   1.549
   64    HG2  PRO   8          2HG       PRO   8   5.066   5.754  -0.798
   65    HG3  PRO   8          1HG       PRO   8   6.036   7.202  -0.470
   66    HD2  PRO   8          2HD       PRO   8   6.901   5.264  -2.121
   67    HD3  PRO   8          1HD       PRO   8   8.016   6.165  -1.076
   68    HA   PRO   9           HA       PRO   9   3.893   1.134   1.441
   69    HB2  PRO   9          2HB       PRO   9   2.646   2.057   3.917
   70    HB3  PRO   9          1HB       PRO   9   3.498   0.543   3.612
   71    HG2  PRO   9          2HG       PRO   9   4.500   2.494   5.212
   72    HG3  PRO   9          1HG       PRO   9   5.523   1.392   4.276
   73    HD2  PRO   9          2HD       PRO   9   4.747   4.221   3.680
   74    HD3  PRO   9          1HD       PRO   9   6.316   3.412   3.476
   75    H    ILE  10           H        ILE  10   2.658   1.807  -0.189
   76    HA   ILE  10           HA       ILE  10   0.969   4.115   0.022
   77    HB   ILE  10           HB       ILE  10   1.192   2.048  -2.189
   78   HG12  ILE  10          2HG1      ILE  10   2.418   4.809  -1.949
   79   HG13  ILE  10          1HG1      ILE  10   3.285   3.294  -1.745
   80   HG21  ILE  10          1HG2      ILE  10  -0.106   4.782  -2.191
   81   HG22  ILE  10          2HG2      ILE  10  -0.953   3.237  -2.256
   82   HG23  ILE  10          3HG2      ILE  10   0.079   3.735  -3.598
   83   HD11  ILE  10          1HD1      ILE  10   1.952   4.249  -4.263
   84   HD12  ILE  10          2HD1      ILE  10   2.831   2.732  -4.071
   85   HD13  ILE  10          3HD1      ILE  10   3.684   4.271  -3.929
   86    H    CYS  11           H        CYS  11  -1.037   4.127   0.713
   87    HA   CYS  11           HA       CYS  11  -2.463   1.600   0.870
   88    HB2  CYS  11          2HB       CYS  11  -2.567   3.993   2.713
   89    HB3  CYS  11          1HB       CYS  11  -3.722   2.668   2.766
   90    H    PHE  12           H        PHE  12  -4.371   1.510   0.032
   91    HA   PHE  12           HA       PHE  12  -5.495   3.918  -1.188
   92    HB2  PHE  12          2HB       PHE  12  -6.117   0.997  -1.721
   93    HB3  PHE  12          1HB       PHE  12  -6.905   2.346  -2.500
   94    HD1  PHE  12          1HD       PHE  12  -6.095   3.196  -4.489
   95    HD2  PHE  12          2HD       PHE  12  -3.532   0.795  -2.084
   96    HE1  PHE  12          1HE       PHE  12  -4.429   3.170  -6.292
   97    HE2  PHE  12          2HE       PHE  12  -1.863   0.778  -3.888
   98    HZ   PHE  12           HZ       PHE  12  -2.310   1.952  -5.988
   99    HA   PRO  13           HA       PRO  13  -8.369   4.675   2.052
  100    HB2  PRO  13          2HB       PRO  13 -10.240   4.604  -0.271
  101    HB3  PRO  13          1HB       PRO  13 -10.190   5.727   1.092
  102    HG2  PRO  13          2HG       PRO  13  -9.071   6.377  -1.239
  103    HG3  PRO  13          1HG       PRO  13  -8.325   6.831   0.298
  104    HD2  PRO  13          2HD       PRO  13  -7.428   4.840  -1.689
  105    HD3  PRO  13          1HD       PRO  13  -6.514   5.663  -0.409
  106    H    ASP  14           H        ASP  14  -9.279   2.079  -0.174
  107    HA   ASP  14           HA       ASP  14 -11.455   1.044   1.354
  108    HB2  ASP  14          2HB       ASP  14  -9.644  -0.462  -0.552
  109    HB3  ASP  14          1HB       ASP  14 -11.146  -1.082   0.111
  Start of MODEL    6
    1    H1   GLY   1           H        GLY   1  -8.257   0.616   1.503
    2    HA2  GLY   1          2HA       GLY   1  -8.507  -1.007   3.364
    3    HA3  GLY   1          1HA       GLY   1  -9.495  -1.960   2.270
    4    H    ARG   2           H        ARG   2  -7.391  -1.003   0.186
    5    HA   ARG   2           HA       ARG   2  -5.657  -3.313   0.561
    6    HB2  ARG   2          2HB       ARG   2  -5.995  -1.390  -1.727
    7    HB3  ARG   2          1HB       ARG   2  -4.869  -2.735  -1.726
    8    HG2  ARG   2          2HG       ARG   2  -6.664  -4.311  -1.647
    9    HG3  ARG   2          1HG       ARG   2  -7.847  -3.014  -1.433
   10    HD2  ARG   2          2HD       ARG   2  -7.272  -2.106  -3.599
   11    HD3  ARG   2          1HD       ARG   2  -6.049  -3.354  -3.822
   12    HE   ARG   2           HE       ARG   2  -7.743  -4.933  -4.063
   13   HH11  ARG   2          1HH1      ARG   2  -9.086  -1.680  -3.629
   14   HH12  ARG   2          2HH1      ARG   2 -10.450  -1.946  -4.611
   15   HH21  ARG   2          1HH2      ARG   2  -9.683  -5.329  -5.361
   16   HH22  ARG   2          2HH2      ARG   2 -10.818  -4.088  -5.600
   17    H    CYS   3           H        CYS   3  -3.765  -3.006   1.598
   18    HA   CYS   3           HA       CYS   3  -2.338  -0.563   0.999
   19    HB2  CYS   3          2HB       CYS   3  -2.635  -1.735   3.783
   20    HB3  CYS   3          1HB       CYS   3  -1.659  -0.333   3.360
   21    H    TYR   4           H        TYR   4  -0.262  -0.879   0.605
   22    HA   TYR   4           HA       TYR   4   0.781  -3.574   1.021
   23    HB2  TYR   4          2HB       TYR   4   0.167  -3.412  -1.305
   24    HB3  TYR   4          1HB       TYR   4   0.944  -1.843  -1.450
   25    HD1  TYR   4          1HD       TYR   4   1.951  -5.273  -0.322
   26    HD2  TYR   4          2HD       TYR   4   2.870  -1.870  -2.681
   27    HE1  TYR   4          1HE       TYR   4   4.009  -6.359  -1.080
   28    HE2  TYR   4          2HE       TYR   4   4.917  -2.940  -3.448
   29    HH   TYR   4           HH       TYR   4   6.485  -4.697  -2.667
   30    H    LYS   5           H        LYS   5   2.722  -3.671   1.902
   31    HA   LYS   5           HA       LYS   5   3.957  -1.215   2.718
   32    HB2  LYS   5          2HB       LYS   5   4.704  -4.089   3.295
   33    HB3  LYS   5          1HB       LYS   5   5.481  -2.682   4.011
   34    HG2  LYS   5          2HG       LYS   5   3.385  -2.028   5.055
   35    HG3  LYS   5          1HG       LYS   5   2.572  -3.409   4.315
   36    HD2  LYS   5          2HD       LYS   5   4.017  -4.928   5.565
   37    HD3  LYS   5          1HD       LYS   5   4.864  -3.553   6.274
   38    HE2  LYS   5          2HE       LYS   5   3.245  -4.426   7.846
   39    HE3  LYS   5          1HE       LYS   5   2.766  -2.816   7.324
   40    HZ1  LYS   5          1HZ       LYS   5   1.148  -3.869   5.800
   41    HZ2  LYS   5          2HZ       LYS   5   0.882  -4.322   7.399
   42    HZ3  LYS   5          3HZ       LYS   5   1.635  -5.384   6.349
   43    H    SER   6           H        SER   6   4.802  -0.296   1.057
   44    HA   SER   6           HA       SER   6   6.912  -1.645  -0.460
   45    HB2  SER   6          2HB       SER   6   4.855  -1.210  -1.791
   46    HB3  SER   6          1HB       SER   6   4.938   0.490  -1.348
   47    HG   SER   6           HG       SER   6   6.579  -1.007  -3.070
   48    H    LYS   7           H        LYS   7   8.111   0.406  -1.563
   49    HA   LYS   7           HA       LYS   7   8.553   2.437   0.500
   50    HB2  LYS   7          2HB       LYS   7  10.580   1.299  -1.455
   51    HB3  LYS   7          1HB       LYS   7  10.894   2.569  -0.283
   52    HG2  LYS   7          2HG       LYS   7  10.503   1.005   1.538
   53    HG3  LYS   7          1HG       LYS   7  10.140  -0.270   0.381
   54    HD2  LYS   7          2HD       LYS   7  12.423  -0.041  -0.534
   55    HD3  LYS   7          1HD       LYS   7  12.772   1.170   0.700
   56    HE2  LYS   7          2HE       LYS   7  12.289  -0.490   2.443
   57    HE3  LYS   7          1HE       LYS   7  11.986  -1.698   1.199
   58    HZ1  LYS   7          1HZ       LYS   7  14.208  -1.922   2.062
   59    HZ2  LYS   7          2HZ       LYS   7  14.575  -0.324   1.702
   60    HZ3  LYS   7          3HZ       LYS   7  14.271  -1.424   0.458
   61    HA   PRO   8           HA       PRO   8   7.831   4.264   0.808
   62    HB2  PRO   8          2HB       PRO   8   5.850   6.038   0.465
   63    HB3  PRO   8          1HB       PRO   8   7.538   6.483   0.186
   64    HG2  PRO   8          2HG       PRO   8   5.441   5.691  -1.805
   65    HG3  PRO   8          1HG       PRO   8   6.575   7.054  -1.871
   66    HD2  PRO   8          2HD       PRO   8   7.015   4.735  -3.187
   67    HD3  PRO   8          1HD       PRO   8   8.334   5.726  -2.532
   68    HA   PRO   9           HA       PRO   9   4.371   1.546   1.599
   69    HB2  PRO   9          2HB       PRO   9   3.467   3.466   3.672
   70    HB3  PRO   9          1HB       PRO   9   3.889   1.757   3.832
   71    HG2  PRO   9          2HG       PRO   9   5.522   3.646   4.752
   72    HG3  PRO   9          1HG       PRO   9   6.159   2.191   3.959
   73    HD2  PRO   9          2HD       PRO   9   5.840   4.960   2.865
   74    HD3  PRO   9          1HD       PRO   9   7.180   3.809   2.666
   75    H    ILE  10           H        ILE  10   2.407   1.347   0.693
   76    HA   ILE  10           HA       ILE  10   0.966   3.809   0.136
   77    HB   ILE  10           HB       ILE  10   0.160   2.712  -1.987
   78   HG12  ILE  10          2HG1      ILE  10   2.438   0.776  -1.439
   79   HG13  ILE  10          1HG1      ILE  10   0.726   0.374  -1.384
   80   HG21  ILE  10          1HG2      ILE  10   1.868   4.439  -2.027
   81   HG22  ILE  10          2HG2      ILE  10   2.211   3.220  -3.256
   82   HG23  ILE  10          3HG2      ILE  10   3.122   3.232  -1.748
   83   HD11  ILE  10          1HD1      ILE  10   0.547   0.880  -3.766
   84   HD12  ILE  10          2HD1      ILE  10   1.726  -0.390  -3.454
   85   HD13  ILE  10          3HD1      ILE  10   2.268   1.255  -3.808
   86    H    CYS  11           H        CYS  11  -0.688   3.822   1.444
   87    HA   CYS  11           HA       CYS  11  -2.195   1.339   1.748
   88    HB2  CYS  11          2HB       CYS  11  -1.062   2.227   3.813
   89    HB3  CYS  11          1HB       CYS  11  -2.057   3.666   3.673
   90    H    PHE  12           H        PHE  12  -3.990   1.396   0.658
   91    HA   PHE  12           HA       PHE  12  -5.007   3.940  -0.218
   92    HB2  PHE  12          2HB       PHE  12  -5.697   1.121  -1.076
   93    HB3  PHE  12          1HB       PHE  12  -6.306   2.591  -1.819
   94    HD1  PHE  12          1HD       PHE  12  -3.439   0.370  -1.476
   95    HD2  PHE  12          2HD       PHE  12  -4.871   3.969  -3.199
   96    HE1  PHE  12          1HE       PHE  12  -1.495   0.410  -2.981
   97    HE2  PHE  12          2HE       PHE  12  -2.930   4.025  -4.710
   98    HZ   PHE  12           HZ       PHE  12  -1.240   2.246  -4.602
   99    HA   PRO  13           HA       PRO  13  -8.052   3.976   2.928
  100    HB2  PRO  13          2HB       PRO  13  -9.957   5.460   1.554
  101    HB3  PRO  13          1HB       PRO  13  -8.599   6.126   2.465
  102    HG2  PRO  13          2HG       PRO  13  -8.870   5.659  -0.464
  103    HG3  PRO  13          1HG       PRO  13  -8.093   6.999   0.389
  104    HD2  PRO  13          2HD       PRO  13  -6.666   5.029  -0.737
  105    HD3  PRO  13          1HD       PRO  13  -6.154   5.794   0.781
  106    H    ASP  14           H        ASP  14  -8.615   2.546  -0.129
  107    HA   ASP  14           HA       ASP  14 -11.282   1.668   0.461
  108    HB2  ASP  14          2HB       ASP  14 -11.196   0.345  -1.595
  109    HB3  ASP  14          1HB       ASP  14 -10.638   1.981  -1.890
  Start of MODEL    7
    1    H1   GLY   1           H        GLY   1  -7.974   0.744   1.988
    2    HA2  GLY   1          2HA       GLY   1  -7.162  -0.176   4.075
    3    HA3  GLY   1          1HA       GLY   1  -8.384  -1.445   3.921
    4    H    ARG   2           H        ARG   2  -6.234  -0.099   1.548
    5    HA   ARG   2           HA       ARG   2  -5.117  -2.782   1.170
    6    HB2  ARG   2          2HB       ARG   2  -6.856  -2.183  -0.509
    7    HB3  ARG   2          1HB       ARG   2  -5.879  -0.806  -0.970
    8    HG2  ARG   2          2HG       ARG   2  -4.118  -2.295  -1.738
    9    HG3  ARG   2          1HG       ARG   2  -5.078  -3.697  -1.251
   10    HD2  ARG   2          2HD       ARG   2  -5.790  -1.634  -3.336
   11    HD3  ARG   2          1HD       ARG   2  -5.385  -3.327  -3.618
   12    HE   ARG   2           HE       ARG   2  -7.473  -3.602  -2.036
   13   HH11  ARG   2          1HH1      ARG   2  -7.053  -1.468  -4.824
   14   HH12  ARG   2          2HH1      ARG   2  -8.704  -1.410  -5.235
   15   HH21  ARG   2          1HH2      ARG   2  -9.816  -3.512  -2.600
   16   HH22  ARG   2          2HH2      ARG   2 -10.290  -2.595  -3.946
   17    H    CYS   3           H        CYS   3  -3.221  -2.308   2.185
   18    HA   CYS   3           HA       CYS   3  -1.660  -0.093   1.113
   19    HB2  CYS   3          2HB       CYS   3  -1.410  -1.635   3.691
   20    HB3  CYS   3          1HB       CYS   3  -0.172  -0.532   3.107
   21    H    TYR   4           H        TYR   4  -0.061  -0.483  -0.140
   22    HA   TYR   4           HA       TYR   4   0.806  -3.212  -0.544
   23    HB2  TYR   4          2HB       TYR   4   1.456  -0.642  -2.005
   24    HB3  TYR   4          1HB       TYR   4   2.118  -2.219  -2.435
   25    HD1  TYR   4          1HD       TYR   4  -0.921  -0.147  -2.385
   26    HD2  TYR   4          2HD       TYR   4   0.752  -3.895  -3.481
   27    HE1  TYR   4          1HE       TYR   4  -2.921  -0.649  -3.709
   28    HE2  TYR   4          2HE       TYR   4  -1.235  -4.393  -4.809
   29    HH   TYR   4           HH       TYR   4  -3.514  -2.111  -5.647
   30    H    LYS   5           H        LYS   5   2.277  -3.938   0.738
   31    HA   LYS   5           HA       LYS   5   3.849  -2.284   2.387
   32    HB2  LYS   5          2HB       LYS   5   4.040  -5.244   1.876
   33    HB3  LYS   5          1HB       LYS   5   4.992  -4.389   3.078
   34    HG2  LYS   5          2HG       LYS   5   1.992  -4.660   3.029
   35    HG3  LYS   5          1HG       LYS   5   3.108  -5.494   4.111
   36    HD2  LYS   5          2HD       LYS   5   3.838  -3.196   4.916
   37    HD3  LYS   5          1HD       LYS   5   2.474  -2.547   4.012
   38    HE2  LYS   5          2HE       LYS   5   1.848  -2.847   6.338
   39    HE3  LYS   5          1HE       LYS   5   0.947  -3.963   5.320
   40    HZ1  LYS   5          1HZ       LYS   5   1.831  -5.019   7.345
   41    HZ2  LYS   5          2HZ       LYS   5   3.395  -4.702   6.842
   42    HZ3  LYS   5          3HZ       LYS   5   2.413  -5.730   5.947
   43    H    SER   6           H        SER   6   4.991  -0.957   1.228
   44    HA   SER   6           HA       SER   6   7.573  -1.853   0.362
   45    HB2  SER   6          2HB       SER   6   5.696  -0.201  -1.375
   46    HB3  SER   6          1HB       SER   6   7.384  -0.531  -1.757
   47    HG   SER   6           HG       SER   6   6.081  -2.793  -1.186
   48    H    LYS   7           H        LYS   7   8.756   0.459  -0.105
   49    HA   LYS   7           HA       LYS   7   7.612   2.357   1.793
   50    HB2  LYS   7          2HB       LYS   7  10.548   1.706   1.429
   51    HB3  LYS   7          1HB       LYS   7   9.955   3.049   2.390
   52    HG2  LYS   7          2HG       LYS   7   9.473   0.118   2.927
   53    HG3  LYS   7          1HG       LYS   7  10.598   1.163   3.791
   54    HD2  LYS   7          2HD       LYS   7   8.695   2.545   4.552
   55    HD3  LYS   7          1HD       LYS   7   7.588   1.463   3.706
   56    HE2  LYS   7          2HE       LYS   7   8.429  -0.410   5.115
   57    HE3  LYS   7          1HE       LYS   7   9.401   0.753   6.010
   58    HZ1  LYS   7          1HZ       LYS   7   6.431   0.764   5.819
   59    HZ2  LYS   7          2HZ       LYS   7   7.344   1.883   6.682
   60    HZ3  LYS   7          3HZ       LYS   7   7.329   0.285   7.150
   61    HA   PRO   8           HA       PRO   8   6.794   4.113   1.926
   62    HB2  PRO   8          2HB       PRO   8   5.018   5.788   0.826
   63    HB3  PRO   8          1HB       PRO   8   6.605   6.356   1.357
   64    HG2  PRO   8          2HG       PRO   8   5.657   5.674  -1.397
   65    HG3  PRO   8          1HG       PRO   8   6.640   7.049  -0.866
   66    HD2  PRO   8          2HD       PRO   8   7.680   4.796  -2.010
   67    HD3  PRO   8          1HD       PRO   8   8.580   5.824  -0.881
   68    HA   PRO   9           HA       PRO   9   3.723   1.145   0.643
   69    HB2  PRO   9          2HB       PRO   9   1.969   1.401   2.702
   70    HB3  PRO   9          1HB       PRO   9   3.507   0.550   2.861
   71    HG2  PRO   9          2HG       PRO   9   2.771   3.313   3.709
   72    HG3  PRO   9          1HG       PRO   9   3.786   2.120   4.537
   73    HD2  PRO   9          2HD       PRO   9   4.788   4.212   3.104
   74    HD3  PRO   9          1HD       PRO   9   5.646   2.675   3.321
   75    H    ILE  10           H        ILE  10   2.378   1.514  -0.935
   76    HA   ILE  10           HA       ILE  10   0.857   3.940  -1.102
   77    HB   ILE  10           HB       ILE  10   0.769   1.465  -2.875
   78   HG12  ILE  10          2HG1      ILE  10   2.242   4.088  -3.266
   79   HG13  ILE  10          1HG1      ILE  10   2.991   2.563  -2.818
   80   HG21  ILE  10          1HG2      ILE  10  -0.296   2.952  -4.526
   81   HG22  ILE  10          2HG2      ILE  10  -0.290   4.260  -3.341
   82   HG23  ILE  10          3HG2      ILE  10  -1.262   2.817  -3.058
   83   HD11  ILE  10          1HD1      ILE  10   1.558   3.136  -5.406
   84   HD12  ILE  10          2HD1      ILE  10   2.327   1.609  -4.964
   85   HD13  ILE  10          3HD1      ILE  10   3.305   3.059  -5.177
   86    H    CYS  11           H        CYS  11  -0.792   4.114   0.219
   87    HA   CYS  11           HA       CYS  11  -2.432   1.758   0.747
   88    HB2  CYS  11          2HB       CYS  11  -2.030   4.247   2.388
   89    HB3  CYS  11          1HB       CYS  11  -3.249   3.033   2.744
   90    H    PHE  12           H        PHE  12  -4.287   1.630  -0.030
   91    HA   PHE  12           HA       PHE  12  -5.658   4.005  -0.974
   92    HB2  PHE  12          2HB       PHE  12  -6.175   1.083  -1.561
   93    HB3  PHE  12          1HB       PHE  12  -7.212   2.383  -2.084
   94    HD1  PHE  12          1HD       PHE  12  -6.729   3.709  -3.956
   95    HD2  PHE  12          2HD       PHE  12  -3.841   0.942  -2.507
   96    HE1  PHE  12          1HE       PHE  12  -5.419   4.018  -6.003
   97    HE2  PHE  12          2HE       PHE  12  -2.520   1.255  -4.572
   98    HZ   PHE  12           HZ       PHE  12  -3.317   2.793  -6.315
   99    HA   PRO  13           HA       PRO  13  -8.232   4.424   2.593
  100    HB2  PRO  13          2HB       PRO  13 -10.283   4.769   0.446
  101    HB3  PRO  13          1HB       PRO  13 -10.007   5.739   1.899
  102    HG2  PRO  13          2HG       PRO  13  -9.099   6.599  -0.433
  103    HG3  PRO  13          1HG       PRO  13  -8.106   6.748   1.024
  104    HD2  PRO  13          2HD       PRO  13  -7.785   4.841  -1.266
  105    HD3  PRO  13          1HD       PRO  13  -6.584   5.596  -0.195
  106    H    ASP  14           H        ASP  14  -9.089   2.123   0.129
  107    HA   ASP  14           HA       ASP  14 -11.324   0.851   1.309
  108    HB2  ASP  14          2HB       ASP  14 -10.679   0.475  -1.017
  109    HB3  ASP  14          1HB       ASP  14  -9.160  -0.248  -0.506
  Start of MODEL    8
    1    H1   GLY   1           H        GLY   1  -8.140   0.714   1.578
    2    HA2  GLY   1          2HA       GLY   1  -7.546  -0.219   3.714
    3    HA3  GLY   1          1HA       GLY   1  -8.662  -1.548   3.390
    4    H    ARG   2           H        ARG   2  -6.524  -0.211   1.029
    5    HA   ARG   2           HA       ARG   2  -5.105  -2.785   0.920
    6    HB2  ARG   2          2HB       ARG   2  -5.624  -0.795  -1.309
    7    HB3  ARG   2          1HB       ARG   2  -4.713  -2.285  -1.478
    8    HG2  ARG   2          2HG       ARG   2  -6.669  -3.603  -1.074
    9    HG3  ARG   2          1HG       ARG   2  -7.602  -2.172  -0.647
   10    HD2  ARG   2          2HD       ARG   2  -8.205  -2.824  -2.868
   11    HD3  ARG   2          1HD       ARG   2  -7.275  -1.338  -2.965
   12    HE   ARG   2           HE       ARG   2  -5.596  -3.592  -3.289
   13   HH11  ARG   2          1HH1      ARG   2  -7.970  -1.609  -5.045
   14   HH12  ARG   2          2HH1      ARG   2  -7.434  -2.053  -6.587
   15   HH21  ARG   2          1HH2      ARG   2  -4.861  -4.229  -5.471
   16   HH22  ARG   2          2HH2      ARG   2  -5.641  -3.575  -6.832
   17    H    CYS   3           H        CYS   3  -3.404  -2.324   2.220
   18    HA   CYS   3           HA       CYS   3  -1.740  -0.026   1.533
   19    HB2  CYS   3          2HB       CYS   3  -1.771  -1.790   3.994
   20    HB3  CYS   3          1HB       CYS   3  -0.584  -0.531   3.695
   21    H    TYR   4           H        TYR   4   0.075  -0.357   0.497
   22    HA   TYR   4           HA       TYR   4   0.886  -3.123   0.114
   23    HB2  TYR   4          2HB       TYR   4   1.559  -0.601  -1.404
   24    HB3  TYR   4          1HB       TYR   4   2.274  -2.175  -1.756
   25    HD1  TYR   4          1HD       TYR   4  -0.900  -0.257  -1.764
   26    HD2  TYR   4          2HD       TYR   4   1.051  -3.842  -2.921
   27    HE1  TYR   4          1HE       TYR   4  -2.817  -0.851  -3.155
   28    HE2  TYR   4          2HE       TYR   4  -0.855  -4.433  -4.320
   29    HH   TYR   4           HH       TYR   4  -3.255  -2.240  -5.122
   30    H    LYS   5           H        LYS   5   2.967  -3.780   0.501
   31    HA   LYS   5           HA       LYS   5   4.181  -2.333   2.732
   32    HB2  LYS   5          2HB       LYS   5   4.800  -5.097   1.659
   33    HB3  LYS   5          1HB       LYS   5   5.344  -4.434   3.191
   34    HG2  LYS   5          2HG       LYS   5   2.484  -5.054   2.439
   35    HG3  LYS   5          1HG       LYS   5   3.506  -6.006   3.511
   36    HD2  LYS   5          2HD       LYS   5   2.750  -3.122   4.039
   37    HD3  LYS   5          1HD       LYS   5   1.834  -4.494   4.644
   38    HE2  LYS   5          2HE       LYS   5   4.759  -4.021   5.228
   39    HE3  LYS   5          1HE       LYS   5   3.450  -3.514   6.290
   40    HZ1  LYS   5          1HZ       LYS   5   2.788  -5.846   6.462
   41    HZ2  LYS   5          2HZ       LYS   5   4.337  -5.593   7.034
   42    HZ3  LYS   5          3HZ       LYS   5   4.110  -6.318   5.523
   43    H    SER   6           H        SER   6   4.435  -1.363   0.080
   44    HA   SER   6           HA       SER   6   7.022  -1.889  -0.964
   45    HB2  SER   6          2HB       SER   6   6.248   0.059  -2.438
   46    HB3  SER   6          1HB       SER   6   5.285  -1.421  -2.491
   47    HG   SER   6           HG       SER   6   4.717   1.043  -1.234
   48    H    LYS   7           H        LYS   7   8.117   0.416  -1.586
   49    HA   LYS   7           HA       LYS   7   8.229   2.059   0.826
   50    HB2  LYS   7          2HB       LYS   7  10.313   0.763   0.590
   51    HB3  LYS   7          1HB       LYS   7  10.500   1.340  -1.055
   52    HG2  LYS   7          2HG       LYS   7  12.013   2.545   0.379
   53    HG3  LYS   7          1HG       LYS   7  10.765   3.641  -0.201
   54    HD2  LYS   7          2HD       LYS   7  11.159   4.095   2.131
   55    HD3  LYS   7          1HD       LYS   7   9.575   3.345   1.977
   56    HE2  LYS   7          2HE       LYS   7  10.769   2.420   3.881
   57    HE3  LYS   7          1HE       LYS   7  10.552   1.182   2.651
   58    HZ1  LYS   7          1HZ       LYS   7  12.854   1.565   1.939
   59    HZ2  LYS   7          2HZ       LYS   7  12.778   1.119   3.547
   60    HZ3  LYS   7          3HZ       LYS   7  13.053   2.730   3.138
   61    HA   PRO   8           HA       PRO   8   7.440   3.781   1.429
   62    HB2  PRO   8          2HB       PRO   8   5.382   5.472   1.318
   63    HB3  PRO   8          1HB       PRO   8   7.038   6.058   1.143
   64    HG2  PRO   8          2HG       PRO   8   5.016   5.453  -0.978
   65    HG3  PRO   8          1HG       PRO   8   6.052   6.881  -0.810
   66    HD2  PRO   8          2HD       PRO   8   6.660   4.820  -2.470
   67    HD3  PRO   8          1HD       PRO   8   7.898   5.800  -1.663
   68    HA   PRO   9           HA       PRO   9   3.861   1.011   1.407
   69    HB2  PRO   9          2HB       PRO   9   3.125   2.031   4.065
   70    HB3  PRO   9          1HB       PRO   9   3.664   0.410   3.618
   71    HG2  PRO   9          2HG       PRO   9   5.212   2.069   5.060
   72    HG3  PRO   9          1HG       PRO   9   5.894   0.935   3.882
   73    HD2  PRO   9          2HD       PRO   9   5.372   3.872   3.590
   74    HD3  PRO   9          1HD       PRO   9   6.790   2.914   3.097
   75    H    ILE  10           H        ILE  10   2.354   1.748   0.082
   76    HA   ILE  10           HA       ILE  10   0.996   4.235   0.696
   77    HB   ILE  10           HB       ILE  10   1.906   4.014  -1.547
   78   HG12  ILE  10          2HG1      ILE  10  -1.118   3.887  -1.695
   79   HG13  ILE  10          1HG1      ILE  10  -0.210   5.315  -1.219
   80   HG21  ILE  10          1HG2      ILE  10   1.035   2.410  -3.179
   81   HG22  ILE  10          2HG2      ILE  10   0.121   1.629  -1.885
   82   HG23  ILE  10          3HG2      ILE  10   1.886   1.642  -1.835
   83   HD11  ILE  10          1HD1      ILE  10  -0.092   3.952  -3.903
   84   HD12  ILE  10          2HD1      ILE  10   0.823   5.386  -3.437
   85   HD13  ILE  10          3HD1      ILE  10  -0.937   5.455  -3.533
   86    H    CYS  11           H        CYS  11  -1.110   4.374   1.216
   87    HA   CYS  11           HA       CYS  11  -2.577   1.859   1.389
   88    HB2  CYS  11          2HB       CYS  11  -2.579   4.182   3.307
   89    HB3  CYS  11          1HB       CYS  11  -3.793   2.907   3.331
   90    H    PHE  12           H        PHE  12  -4.161   1.741   0.125
   91    HA   PHE  12           HA       PHE  12  -5.487   4.110  -0.884
   92    HB2  PHE  12          2HB       PHE  12  -5.780   1.182  -1.609
   93    HB3  PHE  12          1HB       PHE  12  -6.680   2.486  -2.373
   94    HD1  PHE  12          1HD       PHE  12  -3.372   0.933  -2.002
   95    HD2  PHE  12          2HD       PHE  12  -5.650   3.918  -3.989
   96    HE1  PHE  12          1HE       PHE  12  -1.561   1.224  -3.651
   97    HE2  PHE  12          2HE       PHE  12  -3.848   4.209  -5.629
   98    HZ   PHE  12           HZ       PHE  12  -1.804   2.861  -5.458
   99    HA   PRO  13           HA       PRO  13  -8.599   4.251   2.258
  100    HB2  PRO  13          2HB       PRO  13 -10.769   4.788   0.541
  101    HB3  PRO  13          1HB       PRO  13  -9.741   5.959   1.366
  102    HG2  PRO  13          2HG       PRO  13  -9.566   4.917  -1.422
  103    HG3  PRO  13          1HG       PRO  13  -9.221   6.543  -0.809
  104    HD2  PRO  13          2HD       PRO  13  -7.250   4.911  -1.466
  105    HD3  PRO  13          1HD       PRO  13  -7.117   5.912  -0.002
  106    H    ASP  14           H        ASP  14  -9.047   2.070  -0.370
  107    HA   ASP  14           HA       ASP  14 -11.375   0.693   0.507
  108    HB2  ASP  14          2HB       ASP  14 -10.526   0.417  -1.771
  109    HB3  ASP  14          1HB       ASP  14  -9.039  -0.291  -1.156
  Start of MODEL    9
    1    H1   GLY   1           H        GLY   1  -7.858   0.799   1.810
    2    HA2  GLY   1          2HA       GLY   1  -7.042   0.162   4.080
    3    HA3  GLY   1          1HA       GLY   1  -8.039  -1.276   3.914
    4    H    ARG   2           H        ARG   2  -6.957  -0.830   0.956
    5    HA   ARG   2           HA       ARG   2  -5.030  -2.927   1.152
    6    HB2  ARG   2          2HB       ARG   2  -6.514  -2.844  -0.757
    7    HB3  ARG   2          1HB       ARG   2  -5.939  -1.253  -1.197
    8    HG2  ARG   2          2HG       ARG   2  -5.030  -2.883  -2.698
    9    HG3  ARG   2          1HG       ARG   2  -3.729  -2.229  -1.712
   10    HD2  ARG   2          2HD       ARG   2  -3.748  -4.222  -0.316
   11    HD3  ARG   2          1HD       ARG   2  -5.121  -4.870  -1.220
   12    HE   ARG   2           HE       ARG   2  -3.344  -4.508  -3.160
   13   HH11  ARG   2          1HH1      ARG   2  -3.028  -6.174  -0.037
   14   HH12  ARG   2          2HH1      ARG   2  -1.789  -7.211  -0.553
   15   HH21  ARG   2          1HH2      ARG   2  -1.597  -5.988  -3.868
   16   HH22  ARG   2          2HH2      ARG   2  -0.935  -7.065  -2.762
   17    H    CYS   3           H        CYS   3  -3.284  -2.260   2.289
   18    HA   CYS   3           HA       CYS   3  -1.745  -0.056   1.162
   19    HB2  CYS   3          2HB       CYS   3  -1.491  -1.447   3.839
   20    HB3  CYS   3          1HB       CYS   3  -0.424  -0.183   3.254
   21    H    TYR   4           H        TYR   4   0.028  -0.428   0.139
   22    HA   TYR   4           HA       TYR   4   0.866  -3.167  -0.208
   23    HB2  TYR   4          2HB       TYR   4   1.680  -0.584  -1.526
   24    HB3  TYR   4          1HB       TYR   4   2.530  -2.098  -1.822
   25    HD1  TYR   4          1HD       TYR   4   1.672  -3.699  -3.317
   26    HD2  TYR   4          2HD       TYR   4  -0.779  -0.432  -2.124
   27    HE1  TYR   4          1HE       TYR   4   0.040  -4.305  -5.024
   28    HE2  TYR   4          2HE       TYR   4  -2.419  -1.046  -3.835
   29    HH   TYR   4           HH       TYR   4  -2.498  -2.236  -5.916
   30    H    LYS   5           H        LYS   5   3.077  -3.762   0.007
   31    HA   LYS   5           HA       LYS   5   4.065  -2.688   2.501
   32    HB2  LYS   5          2HB       LYS   5   4.743  -5.233   1.031
   33    HB3  LYS   5          1HB       LYS   5   5.361  -4.776   2.615
   34    HG2  LYS   5          2HG       LYS   5   3.070  -4.740   3.490
   35    HG3  LYS   5          1HG       LYS   5   2.470  -5.244   1.914
   36    HD2  LYS   5          2HD       LYS   5   2.584  -7.136   3.420
   37    HD3  LYS   5          1HD       LYS   5   3.765  -7.333   2.127
   38    HE2  LYS   5          2HE       LYS   5   5.548  -6.628   3.598
   39    HE3  LYS   5          1HE       LYS   5   4.391  -6.262   4.880
   40    HZ1  LYS   5          1HZ       LYS   5   3.826  -8.600   4.962
   41    HZ2  LYS   5          2HZ       LYS   5   5.467  -8.370   5.238
   42    HZ3  LYS   5          3HZ       LYS   5   4.939  -8.953   3.745
   43    H    SER   6           H        SER   6   4.496  -1.786  -0.447
   44    HA   SER   6           HA       SER   6   7.301  -1.772  -0.721
   45    HB2  SER   6          2HB       SER   6   6.720   0.008  -2.482
   46    HB3  SER   6          1HB       SER   6   6.028  -1.596  -2.720
   47    HG   SER   6           HG       SER   6   4.283  -0.394  -2.947
   48    H    LYS   7           H        LYS   7   8.547   0.342  -0.662
   49    HA   LYS   7           HA       LYS   7   7.579   2.035   1.542
   50    HB2  LYS   7          2HB       LYS   7  10.393   1.526   0.558
   51    HB3  LYS   7          1HB       LYS   7   9.972   2.642   1.838
   52    HG2  LYS   7          2HG       LYS   7   9.463  -0.330   1.999
   53    HG3  LYS   7          1HG       LYS   7  10.955   0.428   2.539
   54    HD2  LYS   7          2HD       LYS   7   9.745   0.257   4.513
   55    HD3  LYS   7          1HD       LYS   7   9.386   1.897   4.004
   56    HE2  LYS   7          2HE       LYS   7   7.391   0.800   4.817
   57    HE3  LYS   7          1HE       LYS   7   7.200   1.098   3.103
   58    HZ1  LYS   7          1HZ       LYS   7   7.757  -1.264   2.698
   59    HZ2  LYS   7          2HZ       LYS   7   6.475  -1.128   3.765
   60    HZ3  LYS   7          3HZ       LYS   7   7.992  -1.470   4.345
   61    HA   PRO   8           HA       PRO   8   7.004   3.845   2.159
   62    HB2  PRO   8          2HB       PRO   8   5.091   5.765   1.085
   63    HB3  PRO   8          1HB       PRO   8   6.318   6.021   2.328
   64    HG2  PRO   8          2HG       PRO   8   6.463   7.162  -0.130
   65    HG3  PRO   8          1HG       PRO   8   7.898   6.715   0.809
   66    HD2  PRO   8          2HD       PRO   8   6.568   5.238  -1.430
   67    HD3  PRO   8          1HD       PRO   8   8.297   5.553  -1.166
   68    HA   PRO   9           HA       PRO   9   3.611   1.131   1.276
   69    HB2  PRO   9          2HB       PRO   9   2.103   2.124   3.585
   70    HB3  PRO   9          1HB       PRO   9   2.828   0.537   3.331
   71    HG2  PRO   9          2HG       PRO   9   3.829   2.283   5.114
   72    HG3  PRO   9          1HG       PRO   9   4.866   1.180   4.192
   73    HD2  PRO   9          2HD       PRO   9   4.313   4.088   3.729
   74    HD3  PRO   9          1HD       PRO   9   5.850   3.199   3.647
   75    H    ILE  10           H        ILE  10   2.486   1.696  -0.447
   76    HA   ILE  10           HA       ILE  10   0.865   4.042  -0.591
   77    HB   ILE  10           HB       ILE  10   0.886   1.619  -2.421
   78   HG12  ILE  10          2HG1      ILE  10   3.107   2.626  -2.335
   79   HG13  ILE  10          1HG1      ILE  10   2.361   2.962  -3.890
   80   HG21  ILE  10          1HG2      ILE  10  -0.089   3.126  -4.101
   81   HG22  ILE  10          2HG2      ILE  10  -0.174   4.404  -2.885
   82   HG23  ILE  10          3HG2      ILE  10  -1.134   2.937  -2.692
   83   HD11  ILE  10          1HD1      ILE  10   1.821   5.232  -3.115
   84   HD12  ILE  10          2HD1      ILE  10   3.551   4.902  -3.068
   85   HD13  ILE  10          3HD1      ILE  10   2.612   4.884  -1.576
   86    H    CYS  11           H        CYS  11  -0.882   4.172   0.596
   87    HA   CYS  11           HA       CYS  11  -2.499   1.798   1.047
   88    HB2  CYS  11          2HB       CYS  11  -2.267   4.375   2.562
   89    HB3  CYS  11          1HB       CYS  11  -3.575   3.226   2.826
   90    H    PHE  12           H        PHE  12  -4.116   1.523  -0.177
   91    HA   PHE  12           HA       PHE  12  -5.518   3.738  -1.365
   92    HB2  PHE  12          2HB       PHE  12  -5.841   0.743  -1.606
   93    HB3  PHE  12          1HB       PHE  12  -6.940   1.882  -2.363
   94    HD1  PHE  12          1HD       PHE  12  -6.407   2.971  -4.362
   95    HD2  PHE  12          2HD       PHE  12  -3.422   0.717  -2.334
   96    HE1  PHE  12          1HE       PHE  12  -4.938   3.163  -6.321
   97    HE2  PHE  12          2HE       PHE  12  -1.947   0.914  -4.310
   98    HZ   PHE  12           HZ       PHE  12  -2.711   2.133  -6.294
   99    HA   PRO  13           HA       PRO  13  -8.341   4.789   1.801
  100    HB2  PRO  13          2HB       PRO  13 -10.308   4.260  -0.382
  101    HB3  PRO  13          1HB       PRO  13 -10.251   5.598   0.772
  102    HG2  PRO  13          2HG       PRO  13  -9.318   5.885  -1.714
  103    HG3  PRO  13          1HG       PRO  13  -8.525   6.658  -0.333
  104    HD2  PRO  13          2HD       PRO  13  -7.588   4.395  -1.991
  105    HD3  PRO  13          1HD       PRO  13  -6.675   5.492  -0.934
  106    H    ASP  14           H        ASP  14  -9.336   1.938  -0.105
  107    HA   ASP  14           HA       ASP  14 -11.250   1.043   1.783
  108    HB2  ASP  14          2HB       ASP  14 -11.377   0.361  -0.565
  109    HB3  ASP  14          1HB       ASP  14  -9.873  -0.535  -0.401
  Start of MODEL   10
    1    H1   GLY   1           H        GLY   1  -8.470   0.940   2.364
    2    HA2  GLY   1          2HA       GLY   1  -7.865  -0.598   4.002
    3    HA3  GLY   1          1HA       GLY   1  -9.199  -1.628   3.500
    4    H    ARG   2           H        ARG   2  -6.546  -0.273   1.631
    5    HA   ARG   2           HA       ARG   2  -5.517  -2.973   1.119
    6    HB2  ARG   2          2HB       ARG   2  -7.071  -2.320  -0.722
    7    HB3  ARG   2          1HB       ARG   2  -6.083  -0.898  -1.011
    8    HG2  ARG   2          2HG       ARG   2  -4.167  -2.429  -1.505
    9    HG3  ARG   2          1HG       ARG   2  -5.304  -3.775  -1.416
   10    HD2  ARG   2          2HD       ARG   2  -5.409  -1.438  -3.325
   11    HD3  ARG   2          1HD       ARG   2  -4.993  -3.100  -3.725
   12    HE   ARG   2           HE       ARG   2  -7.519  -3.172  -2.607
   13   HH11  ARG   2          1HH1      ARG   2  -6.003  -1.822  -5.515
   14   HH12  ARG   2          2HH1      ARG   2  -7.451  -1.795  -6.406
   15   HH21  ARG   2          1HH2      ARG   2  -9.491  -3.107  -3.855
   16   HH22  ARG   2          2HH2      ARG   2  -9.472  -2.511  -5.444
   17    H    CYS   3           H        CYS   3  -3.419  -2.844   1.760
   18    HA   CYS   3           HA       CYS   3  -1.899  -0.490   0.922
   19    HB2  CYS   3          2HB       CYS   3  -1.733  -1.886   3.592
   20    HB3  CYS   3          1HB       CYS   3  -0.495  -0.803   2.986
   21    H    TYR   4           H        TYR   4  -0.066  -0.870  -0.018
   22    HA   TYR   4           HA       TYR   4   1.009  -3.596   0.023
   23    HB2  TYR   4          2HB       TYR   4   1.562  -1.338  -1.935
   24    HB3  TYR   4          1HB       TYR   4   2.260  -2.946  -2.004
   25    HD1  TYR   4          1HD       TYR   4   0.543  -4.920  -2.193
   26    HD2  TYR   4          2HD       TYR   4  -0.342  -0.879  -3.178
   27    HE1  TYR   4          1HE       TYR   4  -1.297  -5.678  -3.613
   28    HE2  TYR   4          2HE       TYR   4  -2.196  -1.635  -4.603
   29    HH   TYR   4           HH       TYR   4  -3.435  -4.758  -4.533
   30    H    LYS   5           H        LYS   5   2.732  -3.800   1.295
   31    HA   LYS   5           HA       LYS   5   3.812  -1.376   2.341
   32    HB2  LYS   5          2HB       LYS   5   4.200  -4.213   3.242
   33    HB3  LYS   5          1HB       LYS   5   5.074  -2.860   3.954
   34    HG2  LYS   5          2HG       LYS   5   2.948  -1.783   4.519
   35    HG3  LYS   5          1HG       LYS   5   2.082  -3.151   3.832
   36    HD2  LYS   5          2HD       LYS   5   3.032  -4.624   5.510
   37    HD3  LYS   5          1HD       LYS   5   3.990  -3.289   6.161
   38    HE2  LYS   5          2HE       LYS   5   1.973  -2.088   6.752
   39    HE3  LYS   5          1HE       LYS   5   0.974  -3.343   6.025
   40    HZ1  LYS   5          1HZ       LYS   5   1.090  -3.531   8.415
   41    HZ2  LYS   5          2HZ       LYS   5   2.759  -3.689   8.368
   42    HZ3  LYS   5          3HZ       LYS   5   1.770  -4.890   7.687
   43    H    SER   6           H        SER   6   4.639  -0.693   0.523
   44    HA   SER   6           HA       SER   6   7.259  -1.653  -0.245
   45    HB2  SER   6          2HB       SER   6   6.777   0.104  -2.056
   46    HB3  SER   6          1HB       SER   6   5.750  -1.337  -2.058
   47    HG   SER   6           HG       SER   6   5.129   1.295  -1.252
   48    H    LYS   7           H        LYS   7   8.521   0.637  -0.860
   49    HA   LYS   7           HA       LYS   7   8.102   2.454   1.400
   50    HB2  LYS   7          2HB       LYS   7  10.197   1.129   1.648
   51    HB3  LYS   7          1HB       LYS   7  10.746   1.755   0.100
   52    HG2  LYS   7          2HG       LYS   7  10.784   4.007   1.008
   53    HG3  LYS   7          1HG       LYS   7  10.175   3.408   2.543
   54    HD2  LYS   7          2HD       LYS   7  12.507   3.691   2.855
   55    HD3  LYS   7          1HD       LYS   7  12.270   1.964   2.657
   56    HE2  LYS   7          2HE       LYS   7  13.119   3.796   0.409
   57    HE3  LYS   7          1HE       LYS   7  14.264   3.005   1.468
   58    HZ1  LYS   7          1HZ       LYS   7  14.029   1.768  -0.537
   59    HZ2  LYS   7          2HZ       LYS   7  12.371   1.681  -0.416
   60    HZ3  LYS   7          3HZ       LYS   7  13.345   0.849   0.684
   61    HA   PRO   8           HA       PRO   8   7.184   4.217   1.727
   62    HB2  PRO   8          2HB       PRO   8   5.152   5.807   0.993
   63    HB3  PRO   8          1HB       PRO   8   6.777   6.459   1.238
   64    HG2  PRO   8          2HG       PRO   8   5.406   5.699  -1.311
   65    HG3  PRO   8          1HG       PRO   8   6.338   7.163  -0.933
   66    HD2  PRO   8          2HD       PRO   8   7.394   5.074  -2.293
   67    HD3  PRO   8          1HD       PRO   8   8.359   6.094  -1.207
   68    HA   PRO   9           HA       PRO   9   4.006   1.124   1.232
   69    HB2  PRO   9          2HB       PRO   9   2.193   1.944   3.142
   70    HB3  PRO   9          1HB       PRO   9   3.646   1.011   3.500
   71    HG2  PRO   9          2HG       PRO   9   3.156   3.944   3.760
   72    HG3  PRO   9          1HG       PRO   9   4.073   2.865   4.822
   73    HD2  PRO   9          2HD       PRO   9   5.278   4.534   3.077
   74    HD3  PRO   9          1HD       PRO   9   5.956   2.946   3.480
   75    H    ILE  10           H        ILE  10   2.468   0.980  -0.232
   76    HA   ILE  10           HA       ILE  10   1.095   3.404  -1.054
   77    HB   ILE  10           HB       ILE  10   0.968   0.630  -2.289
   78   HG12  ILE  10          2HG1      ILE  10   2.633   3.005  -3.157
   79   HG13  ILE  10          1HG1      ILE  10   3.264   1.626  -2.268
   80   HG21  ILE  10          1HG2      ILE  10   0.187   3.342  -3.380
   81   HG22  ILE  10          2HG2      ILE  10  -0.928   2.079  -2.867
   82   HG23  ILE  10          3HG2      ILE  10   0.116   1.819  -4.266
   83   HD11  ILE  10          1HD1      ILE  10   2.023   1.538  -5.003
   84   HD12  ILE  10          2HD1      ILE  10   2.695   0.162  -4.124
   85   HD13  ILE  10          3HD1      ILE  10   3.748   1.477  -4.647
   86    H    CYS  11           H        CYS  11  -0.561   3.834   0.228
   87    HA   CYS  11           HA       CYS  11  -2.342   1.642   0.918
   88    HB2  CYS  11          2HB       CYS  11  -1.586   4.069   2.505
   89    HB3  CYS  11          1HB       CYS  11  -3.073   3.185   2.831
   90    H    PHE  12           H        PHE  12  -4.232   1.643   0.265
   91    HA   PHE  12           HA       PHE  12  -5.470   4.044  -0.863
   92    HB2  PHE  12          2HB       PHE  12  -6.208   1.121  -1.193
   93    HB3  PHE  12          1HB       PHE  12  -6.973   2.466  -2.009
   94    HD1  PHE  12          1HD       PHE  12  -5.939   3.522  -3.907
   95    HD2  PHE  12          2HD       PHE  12  -3.976   0.358  -1.858
   96    HE1  PHE  12          1HE       PHE  12  -4.368   3.291  -5.781
   97    HE2  PHE  12          2HE       PHE  12  -2.403   0.127  -3.721
   98    HZ   PHE  12           HZ       PHE  12  -2.594   1.588  -5.692
   99    HA   PRO  13           HA       PRO  13  -7.877   3.963   2.921
  100    HB2  PRO  13          2HB       PRO  13  -9.954   5.517   2.124
  101    HB3  PRO  13          1HB       PRO  13  -8.360   6.164   2.535
  102    HG2  PRO  13          2HG       PRO  13  -9.513   5.532  -0.155
  103    HG3  PRO  13          1HG       PRO  13  -8.615   6.975   0.351
  104    HD2  PRO  13          2HD       PRO  13  -7.421   4.988  -1.020
  105    HD3  PRO  13          1HD       PRO  13  -6.568   5.879   0.260
  106    H    ASP  14           H        ASP  14  -8.587   2.214   0.344
  107    HA   ASP  14           HA       ASP  14 -11.310   1.423   1.020
  108    HB2  ASP  14          2HB       ASP  14  -9.396   0.392  -1.101
  109    HB3  ASP  14          1HB       ASP  14 -11.039  -0.179  -0.881
  Start of MODEL   11
    1    H1   GLY   1           H        GLY   1  -8.318   0.925   1.975
    2    HA2  GLY   1          2HA       GLY   1  -7.644  -0.024   4.041
    3    HA3  GLY   1          1HA       GLY   1  -8.866  -1.277   3.832
    4    H    ARG   2           H        ARG   2  -6.339  -0.012   1.703
    5    HA   ARG   2           HA       ARG   2  -5.269  -2.748   1.464
    6    HB2  ARG   2          2HB       ARG   2  -5.653  -0.835  -0.849
    7    HB3  ARG   2          1HB       ARG   2  -5.028  -2.468  -0.930
    8    HG2  ARG   2          2HG       ARG   2  -7.840  -1.689  -0.213
    9    HG3  ARG   2          1HG       ARG   2  -7.292  -2.352  -1.753
   10    HD2  ARG   2          2HD       ARG   2  -6.656  -4.424  -0.664
   11    HD3  ARG   2          1HD       ARG   2  -7.090  -3.749   0.910
   12    HE   ARG   2           HE       ARG   2  -9.132  -3.832  -1.133
   13   HH11  ARG   2          1HH1      ARG   2  -7.816  -5.262   1.851
   14   HH12  ARG   2          2HH1      ARG   2  -9.225  -6.107   2.239
   15   HH21  ARG   2          1HH2      ARG   2 -11.091  -4.977  -0.566
   16   HH22  ARG   2          2HH2      ARG   2 -11.124  -5.935   0.844
   17    H    CYS   3           H        CYS   3  -3.124  -2.724   1.823
   18    HA   CYS   3           HA       CYS   3  -1.643  -0.329   1.069
   19    HB2  CYS   3          2HB       CYS   3  -1.416  -1.747   3.729
   20    HB3  CYS   3          1HB       CYS   3  -0.234  -0.591   3.134
   21    H    TYR   4           H        TYR   4  -0.004  -0.795  -0.145
   22    HA   TYR   4           HA       TYR   4   0.997  -3.538  -0.261
   23    HB2  TYR   4          2HB       TYR   4   1.574  -1.110  -1.980
   24    HB3  TYR   4          1HB       TYR   4   2.351  -2.669  -2.191
   25    HD1  TYR   4          1HD       TYR   4   0.805  -4.672  -2.694
   26    HD2  TYR   4          2HD       TYR   4  -0.411  -0.621  -3.108
   27    HE1  TYR   4          1HE       TYR   4  -0.959  -5.374  -4.230
   28    HE2  TYR   4          2HE       TYR   4  -2.193  -1.311  -4.649
   29    HH   TYR   4           HH       TYR   4  -3.162  -4.515  -5.024
   30    H    LYS   5           H        LYS   5   2.778  -4.065   0.871
   31    HA   LYS   5           HA       LYS   5   4.104  -1.966   2.248
   32    HB2  LYS   5          2HB       LYS   5   5.388  -3.687   3.423
   33    HB3  LYS   5          1HB       LYS   5   3.668  -4.002   3.498
   34    HG2  LYS   5          2HG       LYS   5   3.966  -5.710   1.710
   35    HG3  LYS   5          1HG       LYS   5   5.701  -5.406   1.782
   36    HD2  LYS   5          2HD       LYS   5   3.959  -6.458   4.014
   37    HD3  LYS   5          1HD       LYS   5   5.167  -7.362   3.105
   38    HE2  LYS   5          2HE       LYS   5   5.697  -5.031   4.968
   39    HE3  LYS   5          1HE       LYS   5   6.015  -6.726   5.296
   40    HZ1  LYS   5          1HZ       LYS   5   8.018  -5.562   4.647
   41    HZ2  LYS   5          2HZ       LYS   5   7.368  -5.119   3.178
   42    HZ3  LYS   5          3HZ       LYS   5   7.658  -6.735   3.508
   43    H    SER   6           H        SER   6   5.009  -0.790   0.873
   44    HA   SER   6           HA       SER   6   7.467  -1.712  -0.408
   45    HB2  SER   6          2HB       SER   6   5.403  -1.331  -1.933
   46    HB3  SER   6          1HB       SER   6   5.537   0.365  -1.491
   47    HG   SER   6           HG       SER   6   6.523  -0.333  -3.465
   48    H    LYS   7           H        LYS   7   8.599   0.693  -0.883
   49    HA   LYS   7           HA       LYS   7   7.882   2.288   1.404
   50    HB2  LYS   7          2HB       LYS   7  10.265   2.915   1.833
   51    HB3  LYS   7          1HB       LYS   7   9.927   1.229   2.122
   52    HG2  LYS   7          2HG       LYS   7  11.248   2.248  -0.390
   53    HG3  LYS   7          1HG       LYS   7  12.137   1.760   1.046
   54    HD2  LYS   7          2HD       LYS   7  11.201  -0.488   0.862
   55    HD3  LYS   7          1HD       LYS   7  10.300  -0.008  -0.572
   56    HE2  LYS   7          2HE       LYS   7  13.306  -0.056  -0.268
   57    HE3  LYS   7          1HE       LYS   7  12.330  -1.189  -1.196
   58    HZ1  LYS   7          1HZ       LYS   7  11.654   0.661  -2.628
   59    HZ2  LYS   7          2HZ       LYS   7  13.308   0.430  -2.644
   60    HZ3  LYS   7          3HZ       LYS   7  12.659   1.709  -1.778
   61    HA   PRO   8           HA       PRO   8   7.153   3.988   1.997
   62    HB2  PRO   8          2HB       PRO   8   5.130   5.671   1.463
   63    HB3  PRO   8          1HB       PRO   8   6.770   6.264   1.762
   64    HG2  PRO   8          2HG       PRO   8   5.356   5.835  -0.843
   65    HG3  PRO   8          1HG       PRO   8   6.335   7.218  -0.323
   66    HD2  PRO   8          2HD       PRO   8   7.299   5.231  -1.911
   67    HD3  PRO   8          1HD       PRO   8   8.318   6.146  -0.783
   68    HA   PRO   9           HA       PRO   9   3.917   0.994   1.082
   69    HB2  PRO   9          2HB       PRO   9   2.431   2.036   3.416
   70    HB3  PRO   9          1HB       PRO   9   3.056   0.409   3.128
   71    HG2  PRO   9          2HG       PRO   9   4.198   2.025   4.923
   72    HG3  PRO   9          1HG       PRO   9   5.167   0.938   3.913
   73    HD2  PRO   9          2HD       PRO   9   4.697   3.878   3.613
   74    HD3  PRO   9          1HD       PRO   9   6.199   2.943   3.419
   75    H    ILE  10           H        ILE  10   2.490   1.304  -0.469
   76    HA   ILE  10           HA       ILE  10   1.055   3.817  -0.627
   77    HB   ILE  10           HB       ILE  10   0.971   1.465  -2.546
   78   HG12  ILE  10          2HG1      ILE  10   3.249   2.342  -2.424
   79   HG13  ILE  10          1HG1      ILE  10   2.517   2.783  -3.960
   80   HG21  ILE  10          1HG2      ILE  10   0.086   3.098  -4.160
   81   HG22  ILE  10          2HG2      ILE  10   0.082   4.330  -2.899
   82   HG23  ILE  10          3HG2      ILE  10  -0.969   2.922  -2.757
   83   HD11  ILE  10          1HD1      ILE  10   3.823   4.617  -3.055
   84   HD12  ILE  10          2HD1      ILE  10   2.872   4.591  -1.573
   85   HD13  ILE  10          3HD1      ILE  10   2.112   5.045  -3.097
   86    H    CYS  11           H        CYS  11  -0.832   4.055   0.313
   87    HA   CYS  11           HA       CYS  11  -2.451   1.678   0.779
   88    HB2  CYS  11          2HB       CYS  11  -2.150   4.156   2.464
   89    HB3  CYS  11          1HB       CYS  11  -3.376   2.924   2.736
   90    H    PHE  12           H        PHE  12  -4.494   1.692   0.354
   91    HA   PHE  12           HA       PHE  12  -5.676   4.004  -1.009
   92    HB2  PHE  12          2HB       PHE  12  -6.198   1.044  -1.442
   93    HB3  PHE  12          1HB       PHE  12  -7.076   2.342  -2.233
   94    HD1  PHE  12          1HD       PHE  12  -6.128   3.562  -4.040
   95    HD2  PHE  12          2HD       PHE  12  -3.843   0.594  -2.026
   96    HE1  PHE  12          1HE       PHE  12  -4.464   3.628  -5.839
   97    HE2  PHE  12          2HE       PHE  12  -2.168   0.662  -3.826
   98    HZ   PHE  12           HZ       PHE  12  -2.478   2.175  -5.733
   99    HA   PRO  13           HA       PRO  13  -8.371   4.304   2.488
  100    HB2  PRO  13          2HB       PRO  13 -10.624   5.279   1.178
  101    HB3  PRO  13          1HB       PRO  13  -9.272   6.249   1.763
  102    HG2  PRO  13          2HG       PRO  13  -9.816   5.212  -0.979
  103    HG3  PRO  13          1HG       PRO  13  -9.144   6.773  -0.486
  104    HD2  PRO  13          2HD       PRO  13  -7.585   4.833  -1.463
  105    HD3  PRO  13          1HD       PRO  13  -7.017   5.887  -0.151
  106    H    ASP  14           H        ASP  14  -9.041   2.093   0.027
  107    HA   ASP  14           HA       ASP  14 -11.531   1.047   1.076
  108    HB2  ASP  14          2HB       ASP  14  -9.521  -0.196  -0.819
  109    HB3  ASP  14          1HB       ASP  14 -11.038  -0.950  -0.366
  Start of MODEL   12
    1    H1   GLY   1           H        GLY   1  -8.406   0.660   1.501
    2    HA2  GLY   1          2HA       GLY   1  -8.077  -0.751   3.483
    3    HA3  GLY   1          1HA       GLY   1  -9.271  -1.844   2.796
    4    H    ARG   2           H        ARG   2  -6.505  -0.219   1.292
    5    HA   ARG   2           HA       ARG   2  -5.323  -2.858   0.892
    6    HB2  ARG   2          2HB       ARG   2  -5.859  -0.833  -1.253
    7    HB3  ARG   2          1HB       ARG   2  -4.533  -1.970  -1.397
    8    HG2  ARG   2          2HG       ARG   2  -6.159  -3.821  -1.203
    9    HG3  ARG   2          1HG       ARG   2  -7.462  -2.625  -1.174
   10    HD2  ARG   2          2HD       ARG   2  -6.914  -1.856  -3.347
   11    HD3  ARG   2          1HD       ARG   2  -5.414  -2.778  -3.372
   12    HE   ARG   2           HE       ARG   2  -7.766  -4.374  -3.058
   13   HH11  ARG   2          1HH1      ARG   2  -5.670  -2.780  -5.454
   14   HH12  ARG   2          2HH1      ARG   2  -6.008  -3.915  -6.685
   15   HH21  ARG   2          1HH2      ARG   2  -8.191  -5.935  -4.810
   16   HH22  ARG   2          2HH2      ARG   2  -7.429  -5.710  -6.312
   17    H    CYS   3           H        CYS   3  -3.347  -2.917   1.558
   18    HA   CYS   3           HA       CYS   3  -1.742  -0.505   1.330
   19    HB2  CYS   3          2HB       CYS   3  -1.984  -2.318   3.707
   20    HB3  CYS   3          1HB       CYS   3  -0.523  -1.382   3.427
   21    H    TYR   4           H        TYR   4   0.009  -0.736   0.297
   22    HA   TYR   4           HA       TYR   4   1.091  -3.416  -0.101
   23    HB2  TYR   4          2HB       TYR   4   1.435  -0.888  -1.745
   24    HB3  TYR   4          1HB       TYR   4   2.263  -2.410  -2.067
   25    HD1  TYR   4          1HD       TYR   4  -0.846  -0.562  -2.411
   26    HD2  TYR   4          2HD       TYR   4   0.961  -4.394  -2.773
   27    HE1  TYR   4          1HE       TYR   4  -2.773  -1.353  -3.733
   28    HE2  TYR   4          2HE       TYR   4  -0.936  -5.176  -4.092
   29    HH   TYR   4           HH       TYR   4  -3.150  -3.189  -5.473
   30    H    LYS   5           H        LYS   5   2.596  -3.789   1.297
   31    HA   LYS   5           HA       LYS   5   3.972  -1.632   2.575
   32    HB2  LYS   5          2HB       LYS   5   4.193  -4.618   2.920
   33    HB3  LYS   5          1HB       LYS   5   5.085  -3.447   3.883
   34    HG2  LYS   5          2HG       LYS   5   2.950  -2.504   4.679
   35    HG3  LYS   5          1HG       LYS   5   2.083  -3.727   3.763
   36    HD2  LYS   5          2HD       LYS   5   4.077  -4.302   5.950
   37    HD3  LYS   5          1HD       LYS   5   2.329  -4.275   6.174
   38    HE2  LYS   5          2HE       LYS   5   2.084  -6.115   4.602
   39    HE3  LYS   5          1HE       LYS   5   3.821  -6.121   4.306
   40    HZ1  LYS   5          1HZ       LYS   5   3.078  -7.826   5.889
   41    HZ2  LYS   5          2HZ       LYS   5   2.603  -6.632   6.974
   42    HZ3  LYS   5          3HZ       LYS   5   4.217  -6.785   6.539
   43    H    SER   6           H        SER   6   5.261  -0.664   1.300
   44    HA   SER   6           HA       SER   6   7.717  -1.891   0.488
   45    HB2  SER   6          2HB       SER   6   5.905  -0.413  -1.469
   46    HB3  SER   6          1HB       SER   6   7.520  -1.033  -1.816
   47    HG   SER   6           HG       SER   6   6.035  -2.977  -0.800
   48    H    LYS   7           H        LYS   7   8.881   0.319  -0.616
   49    HA   LYS   7           HA       LYS   7   8.010   2.505   1.116
   50    HB2  LYS   7          2HB       LYS   7  10.114   1.460   1.879
   51    HB3  LYS   7          1HB       LYS   7  10.852   1.838   0.329
   52    HG2  LYS   7          2HG       LYS   7  10.531   4.226   0.767
   53    HG3  LYS   7          1HG       LYS   7   9.825   3.838   2.334
   54    HD2  LYS   7          2HD       LYS   7  12.634   3.167   1.455
   55    HD3  LYS   7          1HD       LYS   7  12.185   4.488   2.531
   56    HE2  LYS   7          2HE       LYS   7  11.291   2.848   4.143
   57    HE3  LYS   7          1HE       LYS   7  11.769   1.542   3.063
   58    HZ1  LYS   7          1HZ       LYS   7  13.419   1.864   4.776
   59    HZ2  LYS   7          2HZ       LYS   7  13.599   3.489   4.321
   60    HZ3  LYS   7          3HZ       LYS   7  14.055   2.274   3.268
   61    HA   PRO   8           HA       PRO   8   7.378   4.418   1.148
   62    HB2  PRO   8          2HB       PRO   8   5.423   5.970   0.122
   63    HB3  PRO   8          1HB       PRO   8   7.083   6.550   0.297
   64    HG2  PRO   8          2HG       PRO   8   5.691   5.489  -2.127
   65    HG3  PRO   8          1HG       PRO   8   6.745   6.905  -1.986
   66    HD2  PRO   8          2HD       PRO   8   7.619   4.526  -2.955
   67    HD3  PRO   8          1HD       PRO   8   8.670   5.635  -2.056
   68    HA   PRO   9           HA       PRO   9   4.146   1.359   1.082
   69    HB2  PRO   9          2HB       PRO   9   2.813   2.099   3.358
   70    HB3  PRO   9          1HB       PRO   9   4.318   1.175   3.347
   71    HG2  PRO   9          2HG       PRO   9   3.883   4.081   3.847
   72    HG3  PRO   9          1HG       PRO   9   5.022   2.969   4.623
   73    HD2  PRO   9          2HD       PRO   9   5.753   4.748   2.699
   74    HD3  PRO   9          1HD       PRO   9   6.577   3.200   2.957
   75    H    ILE  10           H        ILE  10   2.502   1.387  -0.216
   76    HA   ILE  10           HA       ILE  10   0.950   3.823  -0.588
   77    HB   ILE  10           HB       ILE  10   0.935   1.250  -2.194
   78   HG12  ILE  10          2HG1      ILE  10   2.301   3.884  -2.806
   79   HG13  ILE  10          1HG1      ILE  10   3.119   2.426  -2.258
   80   HG21  ILE  10          1HG2      ILE  10  -0.231   3.969  -2.806
   81   HG22  ILE  10          2HG2      ILE  10  -1.138   2.510  -2.419
   82   HG23  ILE  10          3HG2      ILE  10  -0.202   2.596  -3.912
   83   HD11  ILE  10          1HD1      ILE  10   2.407   1.276  -4.300
   84   HD12  ILE  10          2HD1      ILE  10   3.362   2.715  -4.650
   85   HD13  ILE  10          3HD1      ILE  10   1.609   2.753  -4.841
   86    H    CYS  11           H        CYS  11  -0.896   3.997   0.540
   87    HA   CYS  11           HA       CYS  11  -2.441   1.563   0.945
   88    HB2  CYS  11          2HB       CYS  11  -1.950   3.738   2.968
   89    HB3  CYS  11          1HB       CYS  11  -3.270   2.585   3.121
   90    H    PHE  12           H        PHE  12  -4.453   1.604   0.532
   91    HA   PHE  12           HA       PHE  12  -5.659   4.061  -0.521
   92    HB2  PHE  12          2HB       PHE  12  -6.315   1.164  -1.126
   93    HB3  PHE  12          1HB       PHE  12  -7.168   2.544  -1.790
   94    HD1  PHE  12          1HD       PHE  12  -4.039   0.621  -1.861
   95    HD2  PHE  12          2HD       PHE  12  -6.223   3.847  -3.582
   96    HE1  PHE  12          1HE       PHE  12  -2.471   0.684  -3.758
   97    HE2  PHE  12          2HE       PHE  12  -4.659   3.902  -5.467
   98    HZ   PHE  12           HZ       PHE  12  -2.779   2.310  -5.549
   99    HA   PRO  13           HA       PRO  13  -8.307   4.134   3.071
  100    HB2  PRO  13          2HB       PRO  13 -10.531   5.235   1.821
  101    HB3  PRO  13          1HB       PRO  13  -9.169   6.155   2.462
  102    HG2  PRO  13          2HG       PRO  13  -9.690   5.257  -0.344
  103    HG3  PRO  13          1HG       PRO  13  -9.070   6.815   0.237
  104    HD2  PRO  13          2HD       PRO  13  -7.427   5.028  -0.799
  105    HD3  PRO  13          1HD       PRO  13  -6.945   5.947   0.648
  106    H    ASP  14           H        ASP  14  -9.324   2.654   0.112
  107    HA   ASP  14           HA       ASP  14 -11.708   1.432   0.968
  108    HB2  ASP  14          2HB       ASP  14  -9.785   0.586  -1.203
  109    HB3  ASP  14          1HB       ASP  14 -11.413  -0.052  -0.991
  Start of MODEL   13
    1    H1   GLY   1           H        GLY   1  -8.332   0.591   1.323
    2    HA2  GLY   1          2HA       GLY   1  -7.777  -0.174   3.677
    3    HA3  GLY   1          1HA       GLY   1  -9.105  -1.303   3.423
    4    H    ARG   2           H        ARG   2  -6.105  -0.251   1.885
    5    HA   ARG   2           HA       ARG   2  -5.204  -2.958   1.682
    6    HB2  ARG   2          2HB       ARG   2  -6.614  -2.999  -0.259
    7    HB3  ARG   2          1HB       ARG   2  -6.012  -1.438  -0.785
    8    HG2  ARG   2          2HG       ARG   2  -3.880  -2.385  -1.348
    9    HG3  ARG   2          1HG       ARG   2  -4.345  -3.940  -0.653
   10    HD2  ARG   2          2HD       ARG   2  -4.482  -3.802  -3.153
   11    HD3  ARG   2          1HD       ARG   2  -5.965  -4.311  -2.353
   12    HE   ARG   2           HE       ARG   2  -6.404  -1.709  -2.585
   13   HH11  ARG   2          1HH1      ARG   2  -5.090  -3.918  -4.989
   14   HH12  ARG   2          2HH1      ARG   2  -5.872  -3.207  -6.320
   15   HH21  ARG   2          1HH2      ARG   2  -7.488  -0.683  -4.392
   16   HH22  ARG   2          2HH2      ARG   2  -7.299  -1.314  -5.956
   17    H    CYS   3           H        CYS   3  -3.220  -2.652   2.438
   18    HA   CYS   3           HA       CYS   3  -1.682  -0.418   1.357
   19    HB2  CYS   3          2HB       CYS   3  -1.363  -1.915   3.963
   20    HB3  CYS   3          1HB       CYS   3  -0.219  -0.724   3.357
   21    H    TYR   4           H        TYR   4  -0.055  -0.829   0.123
   22    HA   TYR   4           HA       TYR   4   0.949  -3.562  -0.047
   23    HB2  TYR   4          2HB       TYR   4   1.350  -1.166  -1.840
   24    HB3  TYR   4          1HB       TYR   4   2.162  -2.708  -2.058
   25    HD1  TYR   4          1HD       TYR   4  -0.603  -0.778  -3.021
   26    HD2  TYR   4          2HD       TYR   4   0.551  -4.772  -2.191
   27    HE1  TYR   4          1HE       TYR   4  -2.479  -1.617  -4.397
   28    HE2  TYR   4          2HE       TYR   4  -1.309  -5.602  -3.549
   29    HH   TYR   4           HH       TYR   4  -2.940  -3.710  -5.688
   30    H    LYS   5           H        LYS   5   2.814  -4.048   0.853
   31    HA   LYS   5           HA       LYS   5   4.221  -1.989   2.225
   32    HB2  LYS   5          2HB       LYS   5   5.774  -3.835   2.972
   33    HB3  LYS   5          1HB       LYS   5   4.095  -4.047   3.416
   34    HG2  LYS   5          2HG       LYS   5   3.798  -5.674   1.668
   35    HG3  LYS   5          1HG       LYS   5   5.457  -5.425   1.107
   36    HD2  LYS   5          2HD       LYS   5   6.296  -6.233   3.245
   37    HD3  LYS   5          1HD       LYS   5   4.642  -6.415   3.837
   38    HE2  LYS   5          2HE       LYS   5   4.206  -8.079   2.118
   39    HE3  LYS   5          1HE       LYS   5   5.844  -7.883   1.493
   40    HZ1  LYS   5          1HZ       LYS   5   5.679  -9.827   2.914
   41    HZ2  LYS   5          2HZ       LYS   5   5.109  -8.883   4.188
   42    HZ3  LYS   5          3HZ       LYS   5   6.675  -8.675   3.632
   43    H    SER   6           H        SER   6   5.375  -0.674   1.227
   44    HA   SER   6           HA       SER   6   7.539  -1.490  -0.475
   45    HB2  SER   6          2HB       SER   6   5.380   0.452  -1.404
   46    HB3  SER   6          1HB       SER   6   6.842   0.026  -2.293
   47    HG   SER   6           HG       SER   6   5.648  -2.220  -1.701
   48    H    LYS   7           H        LYS   7   8.489   0.952  -1.136
   49    HA   LYS   7           HA       LYS   7   8.239   2.547   1.296
   50    HB2  LYS   7          2HB       LYS   7  10.679   2.049  -0.406
   51    HB3  LYS   7          1HB       LYS   7  10.597   3.325   0.800
   52    HG2  LYS   7          2HG       LYS   7  10.280   1.673   2.550
   53    HG3  LYS   7          1HG       LYS   7  10.280   0.383   1.349
   54    HD2  LYS   7          2HD       LYS   7  12.546   0.865   0.742
   55    HD3  LYS   7          1HD       LYS   7  12.563   2.291   1.783
   56    HE2  LYS   7          2HE       LYS   7  12.169  -0.530   2.759
   57    HE3  LYS   7          1HE       LYS   7  13.723   0.298   2.733
   58    HZ1  LYS   7          1HZ       LYS   7  12.671   0.421   4.908
   59    HZ2  LYS   7          2HZ       LYS   7  11.324   1.193   4.256
   60    HZ3  LYS   7          3HZ       LYS   7  12.805   1.963   4.237
   61    HA   PRO   8           HA       PRO   8   7.146   3.989   1.897
   62    HB2  PRO   8          2HB       PRO   8   5.012   5.585   1.754
   63    HB3  PRO   8          1HB       PRO   8   6.640   6.271   1.825
   64    HG2  PRO   8          2HG       PRO   8   4.870   5.843  -0.551
   65    HG3  PRO   8          1HG       PRO   8   5.823   7.275  -0.120
   66    HD2  PRO   8          2HD       PRO   8   6.662   5.412  -1.925
   67    HD3  PRO   8          1HD       PRO   8   7.770   6.378  -0.933
   68    HA   PRO   9           HA       PRO   9   3.917   0.928   1.238
   69    HB2  PRO   9          2HB       PRO   9   2.425   2.084   3.531
   70    HB3  PRO   9          1HB       PRO   9   3.036   0.441   3.317
   71    HG2  PRO   9          2HG       PRO   9   4.210   2.105   5.026
   72    HG3  PRO   9          1HG       PRO   9   5.170   1.001   4.026
   73    HD2  PRO   9          2HD       PRO   9   4.667   3.930   3.650
   74    HD3  PRO   9          1HD       PRO   9   6.176   3.012   3.459
   75    H    ILE  10           H        ILE  10   2.311   0.986  -0.165
   76    HA   ILE  10           HA       ILE  10   0.935   3.522  -0.579
   77    HB   ILE  10           HB       ILE  10   0.946   1.048  -2.347
   78   HG12  ILE  10          2HG1      ILE  10   2.492   3.643  -2.612
   79   HG13  ILE  10          1HG1      ILE  10   3.176   2.104  -2.114
   80   HG21  ILE  10          1HG2      ILE  10   0.026   2.560  -4.064
   81   HG22  ILE  10          2HG2      ILE  10  -0.006   3.873  -2.889
   82   HG23  ILE  10          3HG2      ILE  10  -1.042   2.465  -2.663
   83   HD11  ILE  10          1HD1      ILE  10   1.955   2.710  -4.797
   84   HD12  ILE  10          2HD1      ILE  10   2.656   1.168  -4.304
   85   HD13  ILE  10          3HD1      ILE  10   3.678   2.599  -4.437
   86    H    CYS  11           H        CYS  11  -0.782   3.715   0.642
   87    HA   CYS  11           HA       CYS  11  -2.489   1.399   1.104
   88    HB2  CYS  11          2HB       CYS  11  -2.147   3.945   2.681
   89    HB3  CYS  11          1HB       CYS  11  -3.378   2.733   3.016
   90    H    PHE  12           H        PHE  12  -4.207   1.309  -0.019
   91    HA   PHE  12           HA       PHE  12  -5.358   3.702  -1.147
   92    HB2  PHE  12          2HB       PHE  12  -6.052   0.769  -1.467
   93    HB3  PHE  12          1HB       PHE  12  -6.968   2.064  -2.223
   94    HD1  PHE  12          1HD       PHE  12  -6.137   3.232  -4.122
   95    HD2  PHE  12          2HD       PHE  12  -3.730   0.301  -2.194
   96    HE1  PHE  12          1HE       PHE  12  -4.592   3.259  -6.026
   97    HE2  PHE  12          2HE       PHE  12  -2.175   0.334  -4.107
   98    HZ   PHE  12           HZ       PHE  12  -2.606   1.804  -6.020
   99    HA   PRO  13           HA       PRO  13  -7.882   4.592   2.308
  100    HB2  PRO  13          2HB       PRO  13 -10.089   5.564   0.872
  101    HB3  PRO  13          1HB       PRO  13  -8.711   6.496   1.454
  102    HG2  PRO  13          2HG       PRO  13  -9.215   5.349  -1.244
  103    HG3  PRO  13          1HG       PRO  13  -8.392   6.850  -0.800
  104    HD2  PRO  13          2HD       PRO  13  -7.037   4.695  -1.610
  105    HD3  PRO  13          1HD       PRO  13  -6.395   5.752  -0.333
  106    H    ASP  14           H        ASP  14  -9.231   2.501  -0.149
  107    HA   ASP  14           HA       ASP  14 -11.610   1.796   1.229
  108    HB2  ASP  14          2HB       ASP  14 -11.307   1.218  -1.134
  109    HB3  ASP  14          1HB       ASP  14  -9.963   0.165  -0.713
  Start of MODEL   14
    1    H1   GLY   1           H        GLY   1  -7.947   1.001   1.791
    2    HA2  GLY   1          2HA       GLY   1  -7.160   0.426   4.008
    3    HA3  GLY   1          1HA       GLY   1  -8.501  -0.715   4.122
    4    H    ARG   2           H        ARG   2  -6.401  -0.140   1.372
    5    HA   ARG   2           HA       ARG   2  -5.440  -2.888   1.672
    6    HB2  ARG   2          2HB       ARG   2  -6.953  -2.668  -0.282
    7    HB3  ARG   2          1HB       ARG   2  -5.951  -1.374  -0.901
    8    HG2  ARG   2          2HG       ARG   2  -5.580  -3.505  -2.066
    9    HG3  ARG   2          1HG       ARG   2  -4.121  -2.901  -1.282
   10    HD2  ARG   2          2HD       ARG   2  -4.414  -5.331  -0.997
   11    HD3  ARG   2          1HD       ARG   2  -4.407  -4.475   0.537
   12    HE   ARG   2           HE       ARG   2  -7.053  -4.799  -0.394
   13   HH11  ARG   2          1HH1      ARG   2  -4.417  -6.727   0.980
   14   HH12  ARG   2          2HH1      ARG   2  -5.457  -7.831   1.752
   15   HH21  ARG   2          1HH2      ARG   2  -8.455  -6.336   0.669
   16   HH22  ARG   2          2HH2      ARG   2  -7.775  -7.598   1.581
   17    H    CYS   3           H        CYS   3  -3.517  -2.562   2.578
   18    HA   CYS   3           HA       CYS   3  -1.825  -0.425   1.528
   19    HB2  CYS   3          2HB       CYS   3  -1.520  -2.051   4.058
   20    HB3  CYS   3          1HB       CYS   3  -0.512  -0.699   3.572
   21    H    TYR   4           H        TYR   4  -0.167  -0.918   0.259
   22    HA   TYR   4           HA       TYR   4   0.652  -3.713   0.080
   23    HB2  TYR   4          2HB       TYR   4  -0.155  -2.559  -2.003
   24    HB3  TYR   4          1HB       TYR   4   1.184  -1.430  -1.804
   25    HD1  TYR   4          1HD       TYR   4   3.111  -1.812  -2.985
   26    HD2  TYR   4          2HD       TYR   4   0.632  -5.126  -2.022
   27    HE1  TYR   4          1HE       TYR   4   4.619  -3.290  -4.206
   28    HE2  TYR   4          2HE       TYR   4   2.139  -6.615  -3.246
   29    HH   TYR   4           HH       TYR   4   5.231  -5.660  -4.188
   30    H    LYS   5           H        LYS   5   2.725  -4.269   0.384
   31    HA   LYS   5           HA       LYS   5   4.303  -2.562   1.991
   32    HB2  LYS   5          2HB       LYS   5   5.961  -4.491   1.926
   33    HB3  LYS   5          1HB       LYS   5   4.383  -4.817   2.618
   34    HG2  LYS   5          2HG       LYS   5   3.705  -5.930   0.544
   35    HG3  LYS   5          1HG       LYS   5   5.288  -5.581  -0.159
   36    HD2  LYS   5          2HD       LYS   5   6.374  -6.914   1.533
   37    HD3  LYS   5          1HD       LYS   5   4.839  -7.192   2.353
   38    HE2  LYS   5          2HE       LYS   5   4.028  -8.449   0.443
   39    HE3  LYS   5          1HE       LYS   5   5.510  -8.102  -0.446
   40    HZ1  LYS   5          1HZ       LYS   5   5.517 -10.325   0.559
   41    HZ2  LYS   5          2HZ       LYS   5   5.352  -9.641   2.089
   42    HZ3  LYS   5          3HZ       LYS   5   6.741  -9.343   1.184
   43    H    SER   6           H        SER   6   5.067  -0.863   1.062
   44    HA   SER   6           HA       SER   6   7.302  -1.122  -0.764
   45    HB2  SER   6          2HB       SER   6   4.958   0.744  -1.282
   46    HB3  SER   6          1HB       SER   6   6.444   0.666  -2.230
   47    HG   SER   6           HG       SER   6   5.329  -1.759  -1.950
   48    H    LYS   7           H        LYS   7   8.219   1.339  -0.945
   49    HA   LYS   7           HA       LYS   7   7.872   2.574   1.685
   50    HB2  LYS   7          2HB       LYS   7  10.046   1.385   1.500
   51    HB3  LYS   7          1HB       LYS   7  10.446   2.383   0.112
   52    HG2  LYS   7          2HG       LYS   7  10.335   4.379   1.532
   53    HG3  LYS   7          1HG       LYS   7   9.985   3.351   2.921
   54    HD2  LYS   7          2HD       LYS   7  12.126   2.189   2.562
   55    HD3  LYS   7          1HD       LYS   7  12.478   3.292   1.233
   56    HE2  LYS   7          2HE       LYS   7  12.335   5.185   2.787
   57    HE3  LYS   7          1HE       LYS   7  12.026   4.061   4.107
   58    HZ1  LYS   7          1HZ       LYS   7  14.227   3.055   3.625
   59    HZ2  LYS   7          2HZ       LYS   7  14.303   4.652   4.110
   60    HZ3  LYS   7          3HZ       LYS   7  14.510   4.277   2.493
   61    HA   PRO   8           HA       PRO   8   6.761   4.099   2.380
   62    HB2  PRO   8          2HB       PRO   8   4.593   5.818   1.414
   63    HB3  PRO   8          1HB       PRO   8   5.662   6.062   2.793
   64    HG2  PRO   8          2HG       PRO   8   5.804   7.601   0.597
   65    HG3  PRO   8          1HG       PRO   8   7.241   7.176   1.544
   66    HD2  PRO   8          2HD       PRO   8   6.225   5.948  -0.994
   67    HD3  PRO   8          1HD       PRO   8   7.878   6.451  -0.581
   68    HA   PRO   9           HA       PRO   9   3.858   0.942   1.193
   69    HB2  PRO   9          2HB       PRO   9   2.036   1.906   3.327
   70    HB3  PRO   9          1HB       PRO   9   2.741   0.302   3.096
   71    HG2  PRO   9          2HG       PRO   9   3.629   1.909   5.016
   72    HG3  PRO   9          1HG       PRO   9   4.739   0.894   4.075
   73    HD2  PRO   9          2HD       PRO   9   4.196   3.821   3.840
   74    HD3  PRO   9          1HD       PRO   9   5.738   2.942   3.728
   75    H    ILE  10           H        ILE  10   2.644   1.112  -0.537
   76    HA   ILE  10           HA       ILE  10   1.005   3.407  -1.057
   77    HB   ILE  10           HB       ILE  10   1.138   0.761  -2.553
   78   HG12  ILE  10          2HG1      ILE  10   2.612   3.342  -3.148
   79   HG13  ILE  10          1HG1      ILE  10   3.344   1.917  -2.423
   80   HG21  ILE  10          1HG2      ILE  10   0.209   2.045  -4.443
   81   HG22  ILE  10          2HG2      ILE  10   0.107   3.473  -3.414
   82   HG23  ILE  10          3HG2      ILE  10  -0.876   2.056  -3.051
   83   HD11  ILE  10          1HD1      ILE  10   2.122   2.076  -5.171
   84   HD12  ILE  10          2HD1      ILE  10   2.882   0.651  -4.458
   85   HD13  ILE  10          3HD1      ILE  10   3.842   2.090  -4.794
   86    H    CYS  11           H        CYS  11  -0.739   3.526   0.239
   87    HA   CYS  11           HA       CYS  11  -2.297   1.077   0.438
   88    HB2  CYS  11          2HB       CYS  11  -1.181   1.657   2.594
   89    HB3  CYS  11          1HB       CYS  11  -2.087   3.166   2.605
   90    H    PHE  12           H        PHE  12  -4.041   1.146  -0.480
   91    HA   PHE  12           HA       PHE  12  -5.211   3.557  -1.442
   92    HB2  PHE  12          2HB       PHE  12  -6.165   0.683  -1.625
   93    HB3  PHE  12          1HB       PHE  12  -6.856   2.044  -2.500
   94    HD1  PHE  12          1HD       PHE  12  -5.412   3.283  -4.150
   95    HD2  PHE  12          2HD       PHE  12  -4.308  -0.480  -2.492
   96    HE1  PHE  12          1HE       PHE  12  -3.811   2.946  -5.988
   97    HE2  PHE  12          2HE       PHE  12  -2.704  -0.820  -4.330
   98    HZ   PHE  12           HZ       PHE  12  -2.457   0.887  -6.078
   99    HA   PRO  13           HA       PRO  13  -7.631   4.737   2.037
  100    HB2  PRO  13          2HB       PRO  13  -9.931   5.488   0.586
  101    HB3  PRO  13          1HB       PRO  13  -8.572   6.519   1.039
  102    HG2  PRO  13          2HG       PRO  13  -9.105   5.083  -1.514
  103    HG3  PRO  13          1HG       PRO  13  -8.352   6.664  -1.246
  104    HD2  PRO  13          2HD       PRO  13  -6.889   4.563  -1.894
  105    HD3  PRO  13          1HD       PRO  13  -6.293   5.720  -0.683
  106    H    ASP  14           H        ASP  14  -8.965   2.325  -0.098
  107    HA   ASP  14           HA       ASP  14 -11.285   1.619   1.388
  108    HB2  ASP  14          2HB       ASP  14 -10.902   0.783  -0.890
  109    HB3  ASP  14          1HB       ASP  14  -9.501  -0.123  -0.336
  Start of MODEL   15
    1    H1   GLY   1           H        GLY   1  -8.216   0.576   1.551
    2    HA2  GLY   1          2HA       GLY   1  -7.462  -0.537   3.688
    3    HA3  GLY   1          1HA       GLY   1  -8.828  -1.613   3.413
    4    H    ARG   2           H        ARG   2  -6.295  -0.298   1.313
    5    HA   ARG   2           HA       ARG   2  -5.441  -3.043   0.805
    6    HB2  ARG   2          2HB       ARG   2  -7.015  -2.320  -1.025
    7    HB3  ARG   2          1HB       ARG   2  -5.907  -1.010  -1.397
    8    HG2  ARG   2          2HG       ARG   2  -5.594  -2.814  -2.973
    9    HG3  ARG   2          1HG       ARG   2  -4.167  -2.670  -1.949
   10    HD2  ARG   2          2HD       ARG   2  -4.858  -5.020  -2.298
   11    HD3  ARG   2          1HD       ARG   2  -4.889  -4.547  -0.601
   12    HE   ARG   2           HE       ARG   2  -7.405  -4.176  -1.869
   13   HH11  ARG   2          1HH1      ARG   2  -5.343  -6.702  -0.445
   14   HH12  ARG   2          2HH1      ARG   2  -6.662  -7.673   0.035
   15   HH21  ARG   2          1HH2      ARG   2  -9.190  -5.524  -1.142
   16   HH22  ARG   2          2HH2      ARG   2  -8.847  -7.021  -0.379
   17    H    CYS   3           H        CYS   3  -3.676  -2.572   2.095
   18    HA   CYS   3           HA       CYS   3  -1.934  -0.396   1.230
   19    HB2  CYS   3          2HB       CYS   3  -1.783  -2.097   3.728
   20    HB3  CYS   3          1HB       CYS   3  -0.812  -0.679   3.365
   21    H    TYR   4           H        TYR   4   0.058  -0.781   0.377
   22    HA   TYR   4           HA       TYR   4   0.761  -3.585  -0.036
   23    HB2  TYR   4          2HB       TYR   4   1.633  -1.098  -1.530
   24    HB3  TYR   4          1HB       TYR   4   2.211  -2.722  -1.872
   25    HD1  TYR   4          1HD       TYR   4   0.878  -4.259  -3.148
   26    HD2  TYR   4          2HD       TYR   4  -0.722  -0.497  -1.988
   27    HE1  TYR   4          1HE       TYR   4  -0.995  -4.595  -4.677
   28    HE2  TYR   4          2HE       TYR   4  -2.607  -0.820  -3.506
   29    HH   TYR   4           HH       TYR   4  -3.316  -3.789  -4.958
   30    H    LYS   5           H        LYS   5   2.711  -4.336   0.624
   31    HA   LYS   5           HA       LYS   5   4.106  -2.699   2.525
   32    HB2  LYS   5          2HB       LYS   5   5.481  -4.745   2.975
   33    HB3  LYS   5          1HB       LYS   5   3.761  -4.988   3.204
   34    HG2  LYS   5          2HG       LYS   5   3.661  -6.079   0.975
   35    HG3  LYS   5          1HG       LYS   5   5.407  -5.903   0.848
   36    HD2  LYS   5          2HD       LYS   5   3.946  -7.454   2.990
   37    HD3  LYS   5          1HD       LYS   5   4.728  -8.160   1.580
   38    HE2  LYS   5          2HE       LYS   5   6.094  -6.581   3.754
   39    HE3  LYS   5          1HE       LYS   5   6.110  -8.336   3.608
   40    HZ1  LYS   5          1HZ       LYS   5   7.315  -8.086   1.499
   41    HZ2  LYS   5          2HZ       LYS   5   8.117  -7.325   2.769
   42    HZ3  LYS   5          3HZ       LYS   5   7.278  -6.405   1.669
   43    H    SER   6           H        SER   6   4.881  -1.118   1.281
   44    HA   SER   6           HA       SER   6   7.419  -1.600   0.009
   45    HB2  SER   6          2HB       SER   6   5.137  -0.175  -1.422
   46    HB3  SER   6          1HB       SER   6   6.773  -0.403  -2.041
   47    HG   SER   6           HG       SER   6   5.827  -2.751  -1.317
   48    H    LYS   7           H        LYS   7   8.524   0.515  -0.211
   49    HA   LYS   7           HA       LYS   7   7.345   2.634   1.447
   50    HB2  LYS   7          2HB       LYS   7  10.243   1.813   1.268
   51    HB3  LYS   7          1HB       LYS   7   9.645   3.181   2.192
   52    HG2  LYS   7          2HG       LYS   7   8.359   1.627   3.623
   53    HG3  LYS   7          1HG       LYS   7   9.019   0.270   2.713
   54    HD2  LYS   7          2HD       LYS   7  10.649   2.279   4.277
   55    HD3  LYS   7          1HD       LYS   7  10.214   0.672   4.836
   56    HE2  LYS   7          2HE       LYS   7  11.505  -0.366   3.111
   57    HE3  LYS   7          1HE       LYS   7  11.801   1.174   2.315
   58    HZ1  LYS   7          1HZ       LYS   7  13.090   1.876   4.209
   59    HZ2  LYS   7          2HZ       LYS   7  13.707   0.437   3.602
   60    HZ3  LYS   7          3HZ       LYS   7  12.792   0.431   5.014
   61    HA   PRO   8           HA       PRO   8   7.142   4.900   1.519
   62    HB2  PRO   8          2HB       PRO   8   5.277   6.323   0.102
   63    HB3  PRO   8          1HB       PRO   8   6.877   6.949   0.513
   64    HG2  PRO   8          2HG       PRO   8   5.932   5.703  -2.039
   65    HG3  PRO   8          1HG       PRO   8   6.937   7.144  -1.807
   66    HD2  PRO   8          2HD       PRO   8   8.013   4.776  -2.472
   67    HD3  PRO   8          1HD       PRO   8   8.842   5.904  -1.380
   68    HA   PRO   9           HA       PRO   9   3.944   1.810   1.590
   69    HB2  PRO   9          2HB       PRO   9   2.509   3.614   3.445
   70    HB3  PRO   9          1HB       PRO   9   3.057   1.952   3.689
   71    HG2  PRO   9          2HG       PRO   9   4.307   3.982   4.871
   72    HG3  PRO   9          1HG       PRO   9   5.212   2.598   4.231
   73    HD2  PRO   9          2HD       PRO   9   4.842   5.327   3.056
   74    HD3  PRO   9          1HD       PRO   9   6.294   4.299   3.144
   75    H    ILE  10           H        ILE  10   2.848   1.765  -0.230
   76    HA   ILE  10           HA       ILE  10   0.994   3.880  -0.943
   77    HB   ILE  10           HB       ILE  10   1.728   1.314  -2.395
   78   HG12  ILE  10          2HG1      ILE  10   2.579   4.170  -2.934
   79   HG13  ILE  10          1HG1      ILE  10   3.587   2.943  -2.180
   80   HG21  ILE  10          1HG2      ILE  10  -0.513   2.083  -3.009
   81   HG22  ILE  10          2HG2      ILE  10   0.614   2.315  -4.346
   82   HG23  ILE  10          3HG2      ILE  10   0.127   3.690  -3.356
   83   HD11  ILE  10          1HD1      ILE  10   3.512   1.631  -4.241
   84   HD12  ILE  10          2HD1      ILE  10   4.162   3.248  -4.513
   85   HD13  ILE  10          3HD1      ILE  10   2.504   2.871  -4.986
   86    H    CYS  11           H        CYS  11  -0.915   3.780   0.127
   87    HA   CYS  11           HA       CYS  11  -2.251   1.206   0.094
   88    HB2  CYS  11          2HB       CYS  11  -1.351   1.523   2.362
   89    HB3  CYS  11          1HB       CYS  11  -2.191   3.070   2.463
   90    H    PHE  12           H        PHE  12  -4.320   1.254  -0.351
   91    HA   PHE  12           HA       PHE  12  -5.497   3.815  -1.055
   92    HB2  PHE  12          2HB       PHE  12  -6.395   0.978  -1.635
   93    HB3  PHE  12          1HB       PHE  12  -7.289   2.411  -2.120
   94    HD1  PHE  12          1HD       PHE  12  -4.437   0.275  -2.836
   95    HD2  PHE  12          2HD       PHE  12  -6.374   3.935  -3.800
   96    HE1  PHE  12          1HE       PHE  12  -3.110   0.445  -4.925
   97    HE2  PHE  12          2HE       PHE  12  -5.063   4.091  -5.861
   98    HZ   PHE  12           HZ       PHE  12  -3.432   2.342  -6.418
   99    HA   PRO  13           HA       PRO  13  -7.483   4.286   2.801
  100    HB2  PRO  13          2HB       PRO  13  -9.819   5.523   1.902
  101    HB3  PRO  13          1HB       PRO  13  -8.297   6.322   2.296
  102    HG2  PRO  13          2HG       PRO  13  -9.360   5.476  -0.357
  103    HG3  PRO  13          1HG       PRO  13  -8.433   6.921   0.073
  104    HD2  PRO  13          2HD       PRO  13  -7.291   4.879  -1.188
  105    HD3  PRO  13          1HD       PRO  13  -6.414   5.779   0.069
  106    H    ASP  14           H        ASP  14  -9.277   2.589   0.314
  107    HA   ASP  14           HA       ASP  14 -11.428   1.773   1.982
  108    HB2  ASP  14          2HB       ASP  14 -11.678   1.512  -0.416
  109    HB3  ASP  14          1HB       ASP  14 -10.297   0.420  -0.482
  Start of MODEL   16
    1    H1   GLY   1           H        GLY   1  -8.195   0.526   1.407
    2    HA2  GLY   1          2HA       GLY   1  -7.705  -0.796   3.418
    3    HA3  GLY   1          1HA       GLY   1  -8.853  -1.984   2.812
    4    H    ARG   2           H        ARG   2  -6.189  -0.214   1.288
    5    HA   ARG   2           HA       ARG   2  -4.862  -2.768   0.842
    6    HB2  ARG   2          2HB       ARG   2  -6.150  -2.361  -1.196
    7    HB3  ARG   2          1HB       ARG   2  -5.456  -0.755  -1.340
    8    HG2  ARG   2          2HG       ARG   2  -4.382  -2.257  -2.913
    9    HG3  ARG   2          1HG       ARG   2  -3.225  -1.781  -1.673
   10    HD2  ARG   2          2HD       ARG   2  -3.043  -4.165  -2.158
   11    HD3  ARG   2          1HD       ARG   2  -3.609  -3.902  -0.509
   12    HE   ARG   2           HE       ARG   2  -5.768  -4.211  -2.324
   13   HH11  ARG   2          1HH1      ARG   2  -3.376  -6.146  -0.501
   14   HH12  ARG   2          2HH1      ARG   2  -4.388  -7.521  -0.477
   15   HH21  ARG   2          1HH2      ARG   2  -7.065  -6.112  -2.262
   16   HH22  ARG   2          2HH2      ARG   2  -6.497  -7.511  -1.491
   17    H    CYS   3           H        CYS   3  -2.977  -2.504   1.783
   18    HA   CYS   3           HA       CYS   3  -1.524  -0.020   1.283
   19    HB2  CYS   3          2HB       CYS   3  -1.590  -1.687   3.799
   20    HB3  CYS   3          1HB       CYS   3  -0.382  -0.449   3.484
   21    H    TYR   4           H        TYR   4   0.424  -0.247   0.498
   22    HA   TYR   4           HA       TYR   4   1.372  -2.909  -0.150
   23    HB2  TYR   4          2HB       TYR   4   2.520  -0.179  -0.771
   24    HB3  TYR   4          1HB       TYR   4   3.160  -1.698  -1.383
   25    HD1  TYR   4          1HD       TYR   4   2.032  -2.853  -3.205
   26    HD2  TYR   4          2HD       TYR   4   0.446   0.719  -1.569
   27    HE1  TYR   4          1HE       TYR   4   0.540  -2.633  -5.142
   28    HE2  TYR   4          2HE       TYR   4  -1.032   0.968  -3.473
   29    HH   TYR   4           HH       TYR   4  -1.100   0.237  -5.828
   30    H    LYS   5           H        LYS   5   3.379  -3.700   0.526
   31    HA   LYS   5           HA       LYS   5   4.320  -2.484   3.004
   32    HB2  LYS   5          2HB       LYS   5   5.490  -4.601   3.434
   33    HB3  LYS   5          1HB       LYS   5   3.774  -4.838   3.158
   34    HG2  LYS   5          2HG       LYS   5   4.242  -5.601   0.880
   35    HG3  LYS   5          1HG       LYS   5   5.970  -5.360   1.156
   36    HD2  LYS   5          2HD       LYS   5   5.405  -7.702   1.440
   37    HD3  LYS   5          1HD       LYS   5   5.870  -7.009   2.993
   38    HE2  LYS   5          2HE       LYS   5   3.488  -6.749   3.576
   39    HE3  LYS   5          1HE       LYS   5   3.044  -7.463   2.029
   40    HZ1  LYS   5          1HZ       LYS   5   4.173  -9.488   2.719
   41    HZ2  LYS   5          2HZ       LYS   5   2.938  -9.076   3.777
   42    HZ3  LYS   5          3HZ       LYS   5   4.543  -8.795   4.213
   43    H    SER   6           H        SER   6   5.022  -2.605  -0.228
   44    HA   SER   6           HA       SER   6   7.846  -2.197   0.001
   45    HB2  SER   6          2HB       SER   6   5.963  -1.616  -2.291
   46    HB3  SER   6          1HB       SER   6   7.718  -1.790  -2.386
   47    HG   SER   6           HG       SER   6   7.380  -3.957  -1.582
   48    H    LYS   7           H        LYS   7   8.679  -0.298   0.606
   49    HA   LYS   7           HA       LYS   7   6.949   1.941   1.037
   50    HB2  LYS   7          2HB       LYS   7   9.922   1.632   1.457
   51    HB3  LYS   7          1HB       LYS   7   8.983   3.038   1.951
   52    HG2  LYS   7          2HG       LYS   7   7.643   1.608   3.422
   53    HG3  LYS   7          1HG       LYS   7   8.617   0.222   2.936
   54    HD2  LYS   7          2HD       LYS   7  10.604   1.288   3.860
   55    HD3  LYS   7          1HD       LYS   7   9.636   2.698   4.304
   56    HE2  LYS   7          2HE       LYS   7   8.279   1.320   5.779
   57    HE3  LYS   7          1HE       LYS   7   9.208  -0.103   5.321
   58    HZ1  LYS   7          1HZ       LYS   7   9.929   0.775   7.429
   59    HZ2  LYS   7          2HZ       LYS   7  10.254   2.270   6.751
   60    HZ3  LYS   7          3HZ       LYS   7  11.171   0.928   6.304
   61    HA   PRO   8           HA       PRO   8   7.038   4.265   1.199
   62    HB2  PRO   8          2HB       PRO   8   5.339   5.921  -0.122
   63    HB3  PRO   8          1HB       PRO   8   7.038   6.322   0.166
   64    HG2  PRO   8          2HG       PRO   8   5.753   5.195  -2.295
   65    HG3  PRO   8          1HG       PRO   8   6.949   6.495  -2.158
   66    HD2  PRO   8          2HD       PRO   8   7.625   3.977  -2.835
   67    HD3  PRO   8          1HD       PRO   8   8.706   5.025  -1.895
   68    HA   PRO   9           HA       PRO   9   3.572   1.402   0.987
   69    HB2  PRO   9          2HB       PRO   9   2.731   2.584   3.540
   70    HB3  PRO   9          1HB       PRO   9   3.205   0.920   3.175
   71    HG2  PRO   9          2HG       PRO   9   4.767   2.538   4.613
   72    HG3  PRO   9          1HG       PRO   9   5.449   1.351   3.483
   73    HD2  PRO   9          2HD       PRO   9   5.038   4.297   3.131
   74    HD3  PRO   9          1HD       PRO   9   6.447   3.286   2.721
   75    H    ILE  10           H        ILE  10   2.324   2.200  -0.549
   76    HA   ILE  10           HA       ILE  10   0.723   4.537  -0.150
   77    HB   ILE  10           HB       ILE  10   0.730   2.474  -2.380
   78   HG12  ILE  10          2HG1      ILE  10   2.819   3.715  -2.307
   79   HG13  ILE  10          1HG1      ILE  10   1.877   4.214  -3.705
   80   HG21  ILE  10          1HG2      ILE  10  -0.676   5.117  -2.271
   81   HG22  ILE  10          2HG2      ILE  10  -1.432   3.522  -2.242
   82   HG23  ILE  10          3HG2      ILE  10  -0.570   4.064  -3.685
   83   HD11  ILE  10          1HD1      ILE  10   2.939   6.119  -2.657
   84   HD12  ILE  10          2HD1      ILE  10   2.186   5.730  -1.113
   85   HD13  ILE  10          3HD1      ILE  10   1.187   6.236  -2.476
   86    H    CYS  11           H        CYS  11  -1.150   4.520   0.876
   87    HA   CYS  11           HA       CYS  11  -2.558   1.988   1.151
   88    HB2  CYS  11          2HB       CYS  11  -2.330   4.314   3.041
   89    HB3  CYS  11          1HB       CYS  11  -3.595   3.101   3.188
   90    H    PHE  12           H        PHE  12  -4.345   1.847   0.195
   91    HA   PHE  12           HA       PHE  12  -5.788   4.250  -0.594
   92    HB2  PHE  12          2HB       PHE  12  -6.232   1.346  -1.358
   93    HB3  PHE  12          1HB       PHE  12  -7.150   2.705  -1.976
   94    HD1  PHE  12          1HD       PHE  12  -5.770   4.567  -3.167
   95    HD2  PHE  12          2HD       PHE  12  -4.414   0.579  -2.571
   96    HE1  PHE  12          1HE       PHE  12  -4.186   4.821  -5.038
   97    HE2  PHE  12          2HE       PHE  12  -2.840   0.829  -4.427
   98    HZ   PHE  12           HZ       PHE  12  -2.719   2.954  -5.663
   99    HA   PRO  13           HA       PRO  13  -8.341   3.896   3.018
  100    HB2  PRO  13          2HB       PRO  13 -10.661   4.994   1.936
  101    HB3  PRO  13          1HB       PRO  13  -9.327   5.908   2.642
  102    HG2  PRO  13          2HG       PRO  13  -9.912   5.310  -0.220
  103    HG3  PRO  13          1HG       PRO  13  -9.277   6.797   0.504
  104    HD2  PRO  13          2HD       PRO  13  -7.684   5.084  -0.804
  105    HD3  PRO  13          1HD       PRO  13  -7.117   5.943   0.646
  106    H    ASP  14           H        ASP  14  -9.261   2.458   0.023
  107    HA   ASP  14           HA       ASP  14 -11.566   1.028   0.825
  108    HB2  ASP  14          2HB       ASP  14 -10.956   1.242  -1.520
  109    HB3  ASP  14          1HB       ASP  14  -9.467   0.350  -1.244
  Start of MODEL   17
    1    H1   GLY   1           H        GLY   1  -8.114   0.450   1.899
    2    HA2  GLY   1          2HA       GLY   1  -7.301  -1.264   3.278
    3    HA3  GLY   1          1HA       GLY   1  -8.570  -2.324   2.674
    4    H    ARG   2           H        ARG   2  -6.195  -0.357   0.993
    5    HA   ARG   2           HA       ARG   2  -4.891  -2.788   0.105
    6    HB2  ARG   2          2HB       ARG   2  -6.519  -2.275  -1.666
    7    HB3  ARG   2          1HB       ARG   2  -5.881  -0.650  -1.793
    8    HG2  ARG   2          2HG       ARG   2  -5.121  -2.051  -3.640
    9    HG3  ARG   2          1HG       ARG   2  -3.765  -1.532  -2.646
   10    HD2  ARG   2          2HD       ARG   2  -5.103  -4.209  -2.284
   11    HD3  ARG   2          1HD       ARG   2  -3.788  -3.969  -3.430
   12    HE   ARG   2           HE       ARG   2  -2.567  -3.110  -1.336
   13   HH11  ARG   2          1HH1      ARG   2  -4.887  -5.810  -1.307
   14   HH12  ARG   2          2HH1      ARG   2  -4.103  -6.632  -0.047
   15   HH21  ARG   2          1HH2      ARG   2  -1.514  -4.292   0.456
   16   HH22  ARG   2          2HH2      ARG   2  -2.159  -5.790   0.925
   17    H    CYS   3           H        CYS   3  -3.222  -2.283   1.369
   18    HA   CYS   3           HA       CYS   3  -1.791   0.154   0.654
   19    HB2  CYS   3          2HB       CYS   3  -1.787  -1.259   3.333
   20    HB3  CYS   3          1HB       CYS   3  -1.111   0.327   2.965
   21    H    TYR   4           H        TYR   4   0.322  -0.061   0.249
   22    HA   TYR   4           HA       TYR   4   1.200  -2.768  -0.305
   23    HB2  TYR   4          2HB       TYR   4   2.472  -0.091  -0.944
   24    HB3  TYR   4          1HB       TYR   4   3.077  -1.652  -1.499
   25    HD1  TYR   4          1HD       TYR   4   0.432   0.852  -1.857
   26    HD2  TYR   4          2HD       TYR   4   1.929  -2.854  -3.291
   27    HE1  TYR   4          1HE       TYR   4  -1.048   1.023  -3.777
   28    HE2  TYR   4          2HE       TYR   4   0.436  -2.706  -5.235
   29    HH   TYR   4           HH       TYR   4  -1.165   0.143  -6.094
   30    H    LYS   5           H        LYS   5   2.874  -3.767   0.701
   31    HA   LYS   5           HA       LYS   5   3.411  -2.825   3.352
   32    HB2  LYS   5          2HB       LYS   5   3.065  -5.235   2.765
   33    HB3  LYS   5          1HB       LYS   5   4.599  -5.205   1.914
   34    HG2  LYS   5          2HG       LYS   5   4.935  -6.202   4.066
   35    HG3  LYS   5          1HG       LYS   5   5.713  -4.618   4.054
   36    HD2  LYS   5          2HD       LYS   5   3.807  -3.667   5.250
   37    HD3  LYS   5          1HD       LYS   5   3.003  -5.237   5.228
   38    HE2  LYS   5          2HE       LYS   5   4.011  -4.952   7.382
   39    HE3  LYS   5          1HE       LYS   5   4.925  -6.160   6.493
   40    HZ1  LYS   5          1HZ       LYS   5   5.722  -3.318   6.809
   41    HZ2  LYS   5          2HZ       LYS   5   6.603  -4.499   5.984
   42    HZ3  LYS   5          3HZ       LYS   5   6.377  -4.622   7.644
   43    H    SER   6           H        SER   6   5.120  -3.058   0.338
   44    HA   SER   6           HA       SER   6   7.593  -2.149   1.496
   45    HB2  SER   6          2HB       SER   6   6.833  -2.673  -1.384
   46    HB3  SER   6          1HB       SER   6   8.464  -2.366  -0.785
   47    HG   SER   6           HG       SER   6   7.240  -4.683  -0.946
   48    H    LYS   7           H        LYS   7   8.451  -0.177   1.230
   49    HA   LYS   7           HA       LYS   7   6.619   1.996   0.851
   50    HB2  LYS   7          2HB       LYS   7   9.591   1.960   1.408
   51    HB3  LYS   7          1HB       LYS   7   8.554   3.377   1.497
   52    HG2  LYS   7          2HG       LYS   7   7.307   2.389   3.328
   53    HG3  LYS   7          1HG       LYS   7   8.269   0.916   3.206
   54    HD2  LYS   7          2HD       LYS   7  10.284   2.189   3.773
   55    HD3  LYS   7          1HD       LYS   7   9.321   3.660   3.887
   56    HE2  LYS   7          2HE       LYS   7   9.770   2.696   6.106
   57    HE3  LYS   7          1HE       LYS   7   8.048   2.721   5.737
   58    HZ1  LYS   7          1HZ       LYS   7   8.160   0.362   5.208
   59    HZ2  LYS   7          2HZ       LYS   7   8.752   0.620   6.753
   60    HZ3  LYS   7          3HZ       LYS   7   9.816   0.339   5.489
   61    HA   PRO   8           HA       PRO   8   7.095   4.621   0.139
   62    HB2  PRO   8          2HB       PRO   8   5.243   5.450  -1.739
   63    HB3  PRO   8          1HB       PRO   8   6.887   6.072  -1.615
   64    HG2  PRO   8          2HG       PRO   8   5.789   3.964  -3.430
   65    HG3  PRO   8          1HG       PRO   8   6.944   5.260  -3.792
   66    HD2  PRO   8          2HD       PRO   8   7.776   2.757  -3.425
   67    HD3  PRO   8          1HD       PRO   8   8.712   4.129  -2.795
   68    HA   PRO   9           HA       PRO   9   3.631   2.166   1.385
   69    HB2  PRO   9          2HB       PRO   9   2.893   3.617   3.561
   70    HB3  PRO   9          1HB       PRO   9   4.274   2.517   3.562
   71    HG2  PRO   9          2HG       PRO   9   4.218   5.485   3.374
   72    HG3  PRO   9          1HG       PRO   9   5.416   4.429   4.139
   73    HD2  PRO   9          2HD       PRO   9   5.701   5.640   1.658
   74    HD3  PRO   9          1HD       PRO   9   6.615   4.232   2.220
   75    H    ILE  10           H        ILE  10   2.438   2.657  -0.427
   76    HA   ILE  10           HA       ILE  10   0.600   4.898  -0.303
   77    HB   ILE  10           HB       ILE  10   0.818   2.694  -2.392
   78   HG12  ILE  10          2HG1      ILE  10   2.894   3.986  -2.342
   79   HG13  ILE  10          1HG1      ILE  10   1.991   4.345  -3.804
   80   HG21  ILE  10          1HG2      ILE  10  -1.361   3.741  -2.366
   81   HG22  ILE  10          2HG2      ILE  10  -0.474   4.190  -3.823
   82   HG23  ILE  10          3HG2      ILE  10  -0.620   5.338  -2.489
   83   HD11  ILE  10          1HD1      ILE  10   1.219   6.444  -2.782
   84   HD12  ILE  10          2HD1      ILE  10   2.977   6.352  -2.886
   85   HD13  ILE  10          3HD1      ILE  10   2.171   6.078  -1.342
   86    H    CYS  11           H        CYS  11  -1.023   4.589   1.038
   87    HA   CYS  11           HA       CYS  11  -2.130   1.895   1.321
   88    HB2  CYS  11          2HB       CYS  11  -0.908   2.786   3.308
   89    HB3  CYS  11          1HB       CYS  11  -2.029   4.131   3.354
   90    H    PHE  12           H        PHE  12  -3.910   1.855   0.077
   91    HA   PHE  12           HA       PHE  12  -5.530   4.204  -0.200
   92    HB2  PHE  12          2HB       PHE  12  -6.037   1.412  -1.236
   93    HB3  PHE  12          1HB       PHE  12  -6.944   2.836  -1.660
   94    HD1  PHE  12          1HD       PHE  12  -5.374   4.847  -2.531
   95    HD2  PHE  12          2HD       PHE  12  -4.492   0.706  -2.810
   96    HE1  PHE  12          1HE       PHE  12  -3.891   5.299  -4.440
   97    HE2  PHE  12          2HE       PHE  12  -3.008   1.142  -4.715
   98    HZ   PHE  12           HZ       PHE  12  -2.701   3.443  -5.533
   99    HA   PRO  13           HA       PRO  13  -8.076   3.674   3.381
  100    HB2  PRO  13          2HB       PRO  13 -10.219   4.673   1.605
  101    HB3  PRO  13          1HB       PRO  13  -9.683   5.285   3.168
  102    HG2  PRO  13          2HG       PRO  13  -9.067   6.516   0.859
  103    HG3  PRO  13          1HG       PRO  13  -7.978   6.519   2.250
  104    HD2  PRO  13          2HD       PRO  13  -7.730   5.029  -0.318
  105    HD3  PRO  13          1HD       PRO  13  -6.501   5.579   0.834
  106    H    ASP  14           H        ASP  14  -9.038   2.327   0.305
  107    HA   ASP  14           HA       ASP  14 -11.267   0.836   1.328
  108    HB2  ASP  14          2HB       ASP  14  -9.797   0.737  -1.287
  109    HB3  ASP  14          1HB       ASP  14 -11.026  -0.453  -0.884
  Start of MODEL   18
    1    H1   GLY   1           H        GLY   1  -8.184   0.573   1.582
    2    HA2  GLY   1          2HA       GLY   1  -7.670  -0.798   3.527
    3    HA3  GLY   1          1HA       GLY   1  -8.696  -2.046   2.830
    4    H    ARG   2           H        ARG   2  -6.962  -0.516   0.473
    5    HA   ARG   2           HA       ARG   2  -5.302  -2.867   0.165
    6    HB2  ARG   2          2HB       ARG   2  -6.609  -1.966  -1.740
    7    HB3  ARG   2          1HB       ARG   2  -5.650  -0.501  -1.682
    8    HG2  ARG   2          2HG       ARG   2  -4.891  -1.933  -3.472
    9    HG3  ARG   2          1HG       ARG   2  -3.645  -1.807  -2.233
   10    HD2  ARG   2          2HD       ARG   2  -3.887  -4.104  -3.055
   11    HD3  ARG   2          1HD       ARG   2  -4.277  -3.985  -1.343
   12    HE   ARG   2           HE       ARG   2  -6.664  -3.708  -2.732
   13   HH11  ARG   2          1HH1      ARG   2  -4.197  -6.209  -2.310
   14   HH12  ARG   2          2HH1      ARG   2  -5.269  -7.515  -2.533
   15   HH21  ARG   2          1HH2      ARG   2  -8.155  -5.529  -3.029
   16   HH22  ARG   2          2HH2      ARG   2  -7.554  -7.107  -2.963
   17    H    CYS   3           H        CYS   3  -3.665  -2.647   1.655
   18    HA   CYS   3           HA       CYS   3  -2.049  -0.191   1.541
   19    HB2  CYS   3          2HB       CYS   3  -2.096  -2.328   3.684
   20    HB3  CYS   3          1HB       CYS   3  -1.105  -0.886   3.705
   21    H    TYR   4           H        TYR   4  -0.072  -0.275   0.616
   22    HA   TYR   4           HA       TYR   4   1.111  -2.906   0.224
   23    HB2  TYR   4          2HB       TYR   4   1.552  -0.285  -1.202
   24    HB3  TYR   4          1HB       TYR   4   2.616  -1.672  -1.404
   25    HD1  TYR   4          1HD       TYR   4   1.793  -3.719  -2.454
   26    HD2  TYR   4          2HD       TYR   4  -0.623  -0.230  -2.236
   27    HE1  TYR   4          1HE       TYR   4   0.317  -4.650  -4.154
   28    HE2  TYR   4          2HE       TYR   4  -2.112  -1.156  -3.947
   29    HH   TYR   4           HH       TYR   4  -1.975  -4.415  -4.903
   30    H    LYS   5           H        LYS   5   2.952  -3.412   1.099
   31    HA   LYS   5           HA       LYS   5   3.967  -1.712   3.206
   32    HB2  LYS   5          2HB       LYS   5   3.459  -4.152   3.477
   33    HB3  LYS   5          1HB       LYS   5   4.763  -4.506   2.361
   34    HG2  LYS   5          2HG       LYS   5   6.378  -3.610   3.929
   35    HG3  LYS   5          1HG       LYS   5   5.072  -3.136   5.019
   36    HD2  LYS   5          2HD       LYS   5   4.394  -5.504   5.194
   37    HD3  LYS   5          1HD       LYS   5   5.764  -5.943   4.175
   38    HE2  LYS   5          2HE       LYS   5   7.310  -5.100   5.821
   39    HE3  LYS   5          1HE       LYS   5   5.980  -4.526   6.826
   40    HZ1  LYS   5          1HZ       LYS   5   5.267  -6.846   7.088
   41    HZ2  LYS   5          2HZ       LYS   5   6.833  -6.593   7.660
   42    HZ3  LYS   5          3HZ       LYS   5   6.603  -7.358   6.177
   43    H    SER   6           H        SER   6   4.619  -2.373  -0.020
   44    HA   SER   6           HA       SER   6   7.415  -2.150  -0.117
   45    HB2  SER   6          2HB       SER   6   5.353  -1.534  -2.231
   46    HB3  SER   6          1HB       SER   6   7.057  -1.920  -2.503
   47    HG   SER   6           HG       SER   6   5.704  -3.753  -2.773
   48    H    LYS   7           H        LYS   7   8.553  -0.479   0.323
   49    HA   LYS   7           HA       LYS   7   7.603   2.084   0.991
   50    HB2  LYS   7          2HB       LYS   7   9.583   1.073   1.975
   51    HB3  LYS   7          1HB       LYS   7  10.349   1.025   0.396
   52    HG2  LYS   7          2HG       LYS   7  10.363   3.487   0.366
   53    HG3  LYS   7          1HG       LYS   7   9.669   3.490   1.988
   54    HD2  LYS   7          2HD       LYS   7  12.102   3.804   2.074
   55    HD3  LYS   7          1HD       LYS   7  11.629   2.287   2.837
   56    HE2  LYS   7          2HE       LYS   7  12.263   1.064   0.801
   57    HE3  LYS   7          1HE       LYS   7  12.719   2.583   0.029
   58    HZ1  LYS   7          1HZ       LYS   7  14.428   2.851   1.705
   59    HZ2  LYS   7          2HZ       LYS   7  14.611   1.378   0.892
   60    HZ3  LYS   7          3HZ       LYS   7  13.965   1.404   2.443
   61    HA   PRO   8           HA       PRO   8   7.628   4.248   0.916
   62    HB2  PRO   8          2HB       PRO   8   5.809   5.821  -0.761
   63    HB3  PRO   8          1HB       PRO   8   7.133   6.383   0.260
   64    HG2  PRO   8          2HG       PRO   8   7.269   6.480  -2.432
   65    HG3  PRO   8          1HG       PRO   8   8.694   6.178  -1.424
   66    HD2  PRO   8          2HD       PRO   8   7.004   4.225  -2.934
   67    HD3  PRO   8          1HD       PRO   8   8.774   4.326  -2.824
   68    HA   PRO   9           HA       PRO   9   4.146   1.554   1.266
   69    HB2  PRO   9          2HB       PRO   9   3.317   2.282   3.765
   70    HB3  PRO   9          1HB       PRO   9   4.703   1.234   3.465
   71    HG2  PRO   9          2HG       PRO   9   4.643   4.147   4.102
   72    HG3  PRO   9          1HG       PRO   9   5.768   2.903   4.665
   73    HD2  PRO   9          2HD       PRO   9   6.365   4.668   2.686
   74    HD3  PRO   9          1HD       PRO   9   7.054   3.037   2.761
   75    H    ILE  10           H        ILE  10   2.458   1.938   0.093
   76    HA   ILE  10           HA       ILE  10   0.891   4.372   0.542
   77    HB   ILE  10           HB       ILE  10  -0.004   4.012  -1.760
   78   HG12  ILE  10          2HG1      ILE  10   2.217   1.953  -1.987
   79   HG13  ILE  10          1HG1      ILE  10   0.498   1.589  -1.943
   80   HG21  ILE  10          1HG2      ILE  10   1.734   5.616  -1.363
   81   HG22  ILE  10          2HG2      ILE  10   2.015   4.806  -2.913
   82   HG23  ILE  10          3HG2      ILE  10   2.958   4.350  -1.489
   83   HD11  ILE  10          1HD1      ILE  10   0.200   2.790  -4.055
   84   HD12  ILE  10          2HD1      ILE  10   1.374   1.483  -4.207
   85   HD13  ILE  10          3HD1      ILE  10   1.925   3.153  -4.086
   86    H    CYS  11           H        CYS  11  -1.166   4.162   1.198
   87    HA   CYS  11           HA       CYS  11  -2.415   1.601   0.715
   88    HB2  CYS  11          2HB       CYS  11  -1.670   1.585   3.080
   89    HB3  CYS  11          1HB       CYS  11  -2.603   3.054   3.365
   90    H    PHE  12           H        PHE  12  -4.346   1.676   0.019
   91    HA   PHE  12           HA       PHE  12  -5.545   4.290  -0.435
   92    HB2  PHE  12          2HB       PHE  12  -6.216   1.586  -1.640
   93    HB3  PHE  12          1HB       PHE  12  -6.878   3.129  -2.143
   94    HD1  PHE  12          1HD       PHE  12  -3.977   0.910  -2.313
   95    HD2  PHE  12          2HD       PHE  12  -5.523   4.724  -3.418
   96    HE1  PHE  12          1HE       PHE  12  -2.156   1.177  -3.949
   97    HE2  PHE  12          2HE       PHE  12  -3.707   4.987  -5.050
   98    HZ   PHE  12           HZ       PHE  12  -2.021   3.217  -5.315
   99    HA   PRO  13           HA       PRO  13  -8.347   3.728   3.012
  100    HB2  PRO  13          2HB       PRO  13 -10.576   4.941   1.819
  101    HB3  PRO  13          1HB       PRO  13  -9.328   5.737   2.778
  102    HG2  PRO  13          2HG       PRO  13  -9.562   5.476  -0.188
  103    HG3  PRO  13          1HG       PRO  13  -9.004   6.855   0.774
  104    HD2  PRO  13          2HD       PRO  13  -7.244   5.329  -0.490
  105    HD3  PRO  13          1HD       PRO  13  -6.908   5.878   1.166
  106    H    ASP  14           H        ASP  14  -9.061   2.232   0.013
  107    HA   ASP  14           HA       ASP  14 -11.465   0.910   0.881
  108    HB2  ASP  14          2HB       ASP  14 -10.926   1.149  -1.530
  109    HB3  ASP  14          1HB       ASP  14  -9.530   0.095  -1.312
  Start of MODEL   19
    1    H1   GLY   1           H        GLY   1  -8.193   0.682   1.976
    2    HA2  GLY   1          2HA       GLY   1  -7.644  -0.339   4.155
    3    HA3  GLY   1          1HA       GLY   1  -8.925  -1.494   3.828
    4    H    ARG   2           H        ARG   2  -6.268  -0.254   1.837
    5    HA   ARG   2           HA       ARG   2  -5.176  -2.933   1.649
    6    HB2  ARG   2          2HB       ARG   2  -6.843  -2.871  -0.147
    7    HB3  ARG   2          1HB       ARG   2  -6.169  -1.369  -0.752
    8    HG2  ARG   2          2HG       ARG   2  -5.489  -3.219  -2.153
    9    HG3  ARG   2          1HG       ARG   2  -4.087  -2.555  -1.316
   10    HD2  ARG   2          2HD       ARG   2  -3.982  -4.963  -1.291
   11    HD3  ARG   2          1HD       ARG   2  -4.256  -4.369   0.341
   12    HE   ARG   2           HE       ARG   2  -6.652  -5.096  -1.101
   13   HH11  ARG   2          1HH1      ARG   2  -4.224  -6.137   1.256
   14   HH12  ARG   2          2HH1      ARG   2  -5.048  -7.571   1.650
   15   HH21  ARG   2          1HH2      ARG   2  -7.771  -7.051  -0.508
   16   HH22  ARG   2          2HH2      ARG   2  -7.094  -8.091   0.670
   17    H    CYS   3           H        CYS   3  -3.024  -2.713   1.841
   18    HA   CYS   3           HA       CYS   3  -1.714  -0.336   0.699
   19    HB2  CYS   3          2HB       CYS   3  -1.081  -1.667   3.346
   20    HB3  CYS   3          1HB       CYS   3  -0.136  -0.392   2.599
   21    H    TYR   4           H        TYR   4   0.181  -0.818  -0.409
   22    HA   TYR   4           HA       TYR   4   0.900  -3.642  -0.462
   23    HB2  TYR   4          2HB       TYR   4   1.914  -1.335  -2.159
   24    HB3  TYR   4          1HB       TYR   4   2.517  -2.977  -2.275
   25    HD1  TYR   4          1HD       TYR   4   0.339  -0.696  -3.756
   26    HD2  TYR   4          2HD       TYR   4   0.533  -4.783  -2.585
   27    HE1  TYR   4          1HE       TYR   4  -1.402  -1.243  -5.384
   28    HE2  TYR   4          2HE       TYR   4  -1.206  -5.336  -4.210
   29    HH   TYR   4           HH       TYR   4  -3.017  -4.211  -5.372
   30    H    LYS   5           H        LYS   5   2.812  -4.417   0.293
   31    HA   LYS   5           HA       LYS   5   3.973  -2.779   2.348
   32    HB2  LYS   5          2HB       LYS   5   4.547  -5.646   1.598
   33    HB3  LYS   5          1HB       LYS   5   5.247  -4.796   2.968
   34    HG2  LYS   5          2HG       LYS   5   2.998  -4.509   3.921
   35    HG3  LYS   5          1HG       LYS   5   2.323  -5.399   2.558
   36    HD2  LYS   5          2HD       LYS   5   2.567  -6.857   4.503
   37    HD3  LYS   5          1HD       LYS   5   3.644  -7.375   3.206
   38    HE2  LYS   5          2HE       LYS   5   5.520  -6.271   4.314
   39    HE3  LYS   5          1HE       LYS   5   4.447  -5.694   5.586
   40    HZ1  LYS   5          1HZ       LYS   5   5.025  -8.538   4.973
   41    HZ2  LYS   5          2HZ       LYS   5   4.054  -7.982   6.232
   42    HZ3  LYS   5          3HZ       LYS   5   5.693  -7.658   6.234
   43    H    SER   6           H        SER   6   4.897  -1.261   1.071
   44    HA   SER   6           HA       SER   6   7.644  -1.818   0.363
   45    HB2  SER   6          2HB       SER   6   5.651  -0.502  -1.505
   46    HB3  SER   6          1HB       SER   6   7.377  -0.675  -1.814
   47    HG   SER   6           HG       SER   6   6.420  -3.028  -1.159
   48    H    LYS   7           H        LYS   7   8.754   0.388   0.158
   49    HA   LYS   7           HA       LYS   7   7.162   2.463   1.444
   50    HB2  LYS   7          2HB       LYS   7  10.038   1.767   2.045
   51    HB3  LYS   7          1HB       LYS   7   9.300   3.288   2.524
   52    HG2  LYS   7          2HG       LYS   7   7.617   2.015   3.822
   53    HG3  LYS   7          1HG       LYS   7   8.473   0.531   3.394
   54    HD2  LYS   7          2HD       LYS   7  10.468   1.336   4.511
   55    HD3  LYS   7          1HD       LYS   7   9.664   2.857   4.884
   56    HE2  LYS   7          2HE       LYS   7   9.678   1.362   6.819
   57    HE3  LYS   7          1HE       LYS   7   8.038   1.691   6.268
   58    HZ1  LYS   7          1HZ       LYS   7   7.958  -0.468   5.231
   59    HZ2  LYS   7          2HZ       LYS   7   8.441  -0.660   6.833
   60    HZ3  LYS   7          3HZ       LYS   7   9.577  -0.760   5.611
   61    HA   PRO   8           HA       PRO   8   7.069   4.739   1.695
   62    HB2  PRO   8          2HB       PRO   8   5.561   6.057  -0.462
   63    HB3  PRO   8          1HB       PRO   8   6.360   6.779   0.939
   64    HG2  PRO   8          2HG       PRO   8   7.339   7.090  -1.538
   65    HG3  PRO   8          1HG       PRO   8   8.407   6.902  -0.136
   66    HD2  PRO   8          2HD       PRO   8   7.588   4.864  -2.164
   67    HD3  PRO   8          1HD       PRO   8   9.200   5.201  -1.494
   68    HA   PRO   9           HA       PRO   9   3.855   1.726   1.281
   69    HB2  PRO   9          2HB       PRO   9   2.206   2.605   3.274
   70    HB3  PRO   9          1HB       PRO   9   3.683   1.676   3.556
   71    HG2  PRO   9          2HG       PRO   9   3.233   4.620   3.752
   72    HG3  PRO   9          1HG       PRO   9   4.175   3.564   4.816
   73    HD2  PRO   9          2HD       PRO   9   5.317   5.142   2.954
   74    HD3  PRO   9          1HD       PRO   9   5.994   3.566   3.412
   75    H    ILE  10           H        ILE  10   2.620   1.816  -0.392
   76    HA   ILE  10           HA       ILE  10   0.906   4.085  -0.888
   77    HB   ILE  10           HB       ILE  10   2.050   3.308  -2.830
   78   HG12  ILE  10          2HG1      ILE  10   0.214   2.608  -4.391
   79   HG13  ILE  10          1HG1      ILE  10  -0.824   2.377  -2.992
   80   HG21  ILE  10          1HG2      ILE  10   2.721   1.138  -2.200
   81   HG22  ILE  10          2HG2      ILE  10   1.875   1.036  -3.748
   82   HG23  ILE  10          3HG2      ILE  10   1.057   0.564  -2.253
   83   HD11  ILE  10          1HD1      ILE  10  -1.254   4.498  -4.099
   84   HD12  ILE  10          2HD1      ILE  10   0.423   4.984  -3.843
   85   HD13  ILE  10          3HD1      ILE  10  -0.650   4.743  -2.461
   86    H    CYS  11           H        CYS  11  -0.878   4.138   0.204
   87    HA   CYS  11           HA       CYS  11  -2.352   1.656   0.622
   88    HB2  CYS  11          2HB       CYS  11  -2.210   4.137   2.323
   89    HB3  CYS  11          1HB       CYS  11  -3.374   2.842   2.572
   90    H    PHE  12           H        PHE  12  -4.407   1.559   0.172
   91    HA   PHE  12           HA       PHE  12  -5.668   3.822  -1.183
   92    HB2  PHE  12          2HB       PHE  12  -6.378   0.871  -1.292
   93    HB3  PHE  12          1HB       PHE  12  -7.089   2.160  -2.256
   94    HD1  PHE  12          1HD       PHE  12  -4.465  -0.251  -2.015
   95    HD2  PHE  12          2HD       PHE  12  -5.615   3.377  -3.914
   96    HE1  PHE  12          1HE       PHE  12  -2.772  -0.628  -3.746
   97    HE2  PHE  12          2HE       PHE  12  -3.923   3.008  -5.648
   98    HZ   PHE  12           HZ       PHE  12  -2.493   1.005  -5.571
   99    HA   PRO  13           HA       PRO  13  -8.002   4.286   2.544
  100    HB2  PRO  13          2HB       PRO  13 -10.204   5.565   1.556
  101    HB3  PRO  13          1HB       PRO  13  -8.637   6.344   1.809
  102    HG2  PRO  13          2HG       PRO  13  -9.801   5.212  -0.709
  103    HG3  PRO  13          1HG       PRO  13  -8.954   6.750  -0.463
  104    HD2  PRO  13          2HD       PRO  13  -7.707   4.639  -1.525
  105    HD3  PRO  13          1HD       PRO  13  -6.865   5.737  -0.409
  106    H    ASP  14           H        ASP  14  -8.880   2.032   0.358
  107    HA   ASP  14           HA       ASP  14 -11.494   1.387   1.487
  108    HB2  ASP  14          2HB       ASP  14 -11.090   0.941  -0.903
  109    HB3  ASP  14          1HB       ASP  14  -9.777  -0.152  -0.480
  Start of MODEL   20
    1    H1   GLY   1           H        GLY   1  -8.001   0.599   2.216
    2    HA2  GLY   1          2HA       GLY   1  -7.621  -1.079   4.035
    3    HA3  GLY   1          1HA       GLY   1  -8.486  -2.204   3.003
    4    H    ARG   2           H        ARG   2  -7.317  -1.613   0.572
    5    HA   ARG   2           HA       ARG   2  -5.009  -3.198   0.697
    6    HB2  ARG   2          2HB       ARG   2  -6.283  -3.222  -1.314
    7    HB3  ARG   2          1HB       ARG   2  -6.114  -1.489  -1.529
    8    HG2  ARG   2          2HG       ARG   2  -4.727  -2.724  -3.126
    9    HG3  ARG   2          1HG       ARG   2  -3.740  -1.770  -2.031
   10    HD2  ARG   2          2HD       ARG   2  -2.740  -3.947  -2.379
   11    HD3  ARG   2          1HD       ARG   2  -3.270  -3.787  -0.709
   12    HE   ARG   2           HE       ARG   2  -5.242  -5.043  -2.333
   13   HH11  ARG   2          1HH1      ARG   2  -2.196  -5.653  -0.619
   14   HH12  ARG   2          2HH1      ARG   2  -2.436  -7.325  -0.467
   15   HH21  ARG   2          1HH2      ARG   2  -5.577  -7.383  -2.135
   16   HH22  ARG   2          2HH2      ARG   2  -4.422  -8.338  -1.342
   17    H    CYS   3           H        CYS   3  -3.039  -2.783   1.279
   18    HA   CYS   3           HA       CYS   3  -1.885  -0.164   0.757
   19    HB2  CYS   3          2HB       CYS   3  -1.784  -1.751   3.311
   20    HB3  CYS   3          1HB       CYS   3  -0.539  -0.581   2.902
   21    H    TYR   4           H        TYR   4  -0.040  -0.271  -0.240
   22    HA   TYR   4           HA       TYR   4   1.226  -2.833  -0.668
   23    HB2  TYR   4          2HB       TYR   4   1.933  -0.039  -1.626
   24    HB3  TYR   4          1HB       TYR   4   2.806  -1.493  -2.083
   25    HD1  TYR   4          1HD       TYR   4  -0.482   0.226  -2.383
   26    HD2  TYR   4          2HD       TYR   4   2.034  -2.880  -3.825
   27    HE1  TYR   4          1HE       TYR   4  -1.993  -0.113  -4.261
   28    HE2  TYR   4          2HE       TYR   4   0.523  -3.231  -5.716
   29    HH   TYR   4           HH       TYR   4  -1.852  -1.050  -6.589
   30    H    LYS   5           H        LYS   5   2.605  -3.533   0.734
   31    HA   LYS   5           HA       LYS   5   3.398  -1.833   2.938
   32    HB2  LYS   5          2HB       LYS   5   3.720  -4.794   2.503
   33    HB3  LYS   5          1HB       LYS   5   4.137  -3.933   3.980
   34    HG2  LYS   5          2HG       LYS   5   1.784  -3.255   4.229
   35    HG3  LYS   5          1HG       LYS   5   1.385  -4.167   2.774
   36    HD2  LYS   5          2HD       LYS   5   0.836  -5.484   4.732
   37    HD3  LYS   5          1HD       LYS   5   2.186  -6.221   3.877
   38    HE2  LYS   5          2HE       LYS   5   2.532  -6.233   6.303
   39    HE3  LYS   5          1HE       LYS   5   3.761  -5.282   5.483
   40    HZ1  LYS   5          1HZ       LYS   5   2.971  -4.187   7.464
   41    HZ2  LYS   5          2HZ       LYS   5   1.386  -4.203   6.930
   42    HZ3  LYS   5          3HZ       LYS   5   2.538  -3.264   6.129
   43    H    SER   6           H        SER   6   4.649  -1.502   0.383
   44    HA   SER   6           HA       SER   6   7.436  -2.225   0.851
   45    HB2  SER   6          2HB       SER   6   6.114  -0.728  -1.426
   46    HB3  SER   6          1HB       SER   6   7.743  -1.398  -1.423
   47    HG   SER   6           HG       SER   6   6.166  -2.669  -2.509
   48    H    LYS   7           H        LYS   7   8.815  -0.069   0.083
   49    HA   LYS   7           HA       LYS   7   7.555   2.198   1.399
   50    HB2  LYS   7          2HB       LYS   7   9.789   3.046   2.023
   51    HB3  LYS   7          1HB       LYS   7   9.510   1.458   2.709
   52    HG2  LYS   7          2HG       LYS   7  10.919   0.444   1.055
   53    HG3  LYS   7          1HG       LYS   7  11.115   1.982   0.220
   54    HD2  LYS   7          2HD       LYS   7  12.150   2.890   2.307
   55    HD3  LYS   7          1HD       LYS   7  12.089   1.262   2.986
   56    HE2  LYS   7          2HE       LYS   7  14.294   1.722   2.057
   57    HE3  LYS   7          1HE       LYS   7  13.492   0.453   1.140
   58    HZ1  LYS   7          1HZ       LYS   7  14.572   2.064  -0.306
   59    HZ2  LYS   7          2HZ       LYS   7  13.656   3.314   0.322
   60    HZ3  LYS   7          3HZ       LYS   7  12.911   2.096  -0.553
   61    HA   PRO   8           HA       PRO   8   7.283   4.215   1.360
   62    HB2  PRO   8          2HB       PRO   8   5.601   5.901   0.120
   63    HB3  PRO   8          1HB       PRO   8   7.313   6.293   0.318
   64    HG2  PRO   8          2HG       PRO   8   5.882   5.231  -2.081
   65    HG3  PRO   8          1HG       PRO   8   7.118   6.494  -1.989
   66    HD2  PRO   8          2HD       PRO   8   7.639   3.913  -2.709
   67    HD3  PRO   8          1HD       PRO   8   8.836   4.980  -1.955
   68    HA   PRO   9           HA       PRO   9   3.743   1.492   1.182
   69    HB2  PRO   9          2HB       PRO   9   2.247   2.734   3.163
   70    HB3  PRO   9          1HB       PRO   9   3.449   1.478   3.445
   71    HG2  PRO   9          2HG       PRO   9   3.657   4.413   3.810
   72    HG3  PRO   9          1HG       PRO   9   4.476   3.112   4.679
   73    HD2  PRO   9          2HD       PRO   9   5.684   4.673   2.790
   74    HD3  PRO   9          1HD       PRO   9   6.189   3.014   3.164
   75    H    ILE  10           H        ILE  10   2.188   1.566  -0.217
   76    HA   ILE  10           HA       ILE  10   0.898   4.131  -0.846
   77    HB   ILE  10           HB       ILE  10   1.089   1.605  -2.534
   78   HG12  ILE  10          2HG1      ILE  10   2.474   4.274  -2.899
   79   HG13  ILE  10          1HG1      ILE  10   3.240   2.827  -2.261
   80   HG21  ILE  10          1HG2      ILE  10   0.146   2.966  -4.348
   81   HG22  ILE  10          2HG2      ILE  10  -0.036   4.317  -3.231
   82   HG23  ILE  10          3HG2      ILE  10  -0.969   2.842  -2.984
   83   HD11  ILE  10          1HD1      ILE  10   2.093   3.159  -5.021
   84   HD12  ILE  10          2HD1      ILE  10   2.864   1.699  -4.398
   85   HD13  ILE  10          3HD1      ILE  10   3.805   3.180  -4.596
   86    H    CYS  11           H        CYS  11  -0.982   4.306   0.212
   87    HA   CYS  11           HA       CYS  11  -2.507   1.852   0.590
   88    HB2  CYS  11          2HB       CYS  11  -2.214   4.214   2.404
   89    HB3  CYS  11          1HB       CYS  11  -3.528   3.056   2.558
   90    H    PHE  12           H        PHE  12  -4.473   1.712   0.050
   91    HA   PHE  12           HA       PHE  12  -5.865   4.066  -0.965
   92    HB2  PHE  12          2HB       PHE  12  -6.524   1.115  -1.324
   93    HB3  PHE  12          1HB       PHE  12  -7.332   2.461  -2.111
   94    HD1  PHE  12          1HD       PHE  12  -4.854   4.040  -2.910
   95    HD2  PHE  12          2HD       PHE  12  -5.795  -0.104  -3.185
   96    HE1  PHE  12          1HE       PHE  12  -3.333   3.822  -4.827
   97    HE2  PHE  12          2HE       PHE  12  -4.276  -0.325  -5.092
   98    HZ   PHE  12           HZ       PHE  12  -3.040   1.636  -5.921
   99    HA   PRO  13           HA       PRO  13  -7.819   4.030   2.984
  100    HB2  PRO  13          2HB       PRO  13 -10.113   5.387   2.413
  101    HB3  PRO  13          1HB       PRO  13  -8.529   6.154   2.556
  102    HG2  PRO  13          2HG       PRO  13  -9.982   5.277   0.090
  103    HG3  PRO  13          1HG       PRO  13  -9.131   6.803   0.397
  104    HD2  PRO  13          2HD       PRO  13  -8.000   4.839  -1.025
  105    HD3  PRO  13          1HD       PRO  13  -7.041   5.839   0.087
  106    H    ASP  14           H        ASP  14  -8.844   2.048   0.657
  107    HA   ASP  14           HA       ASP  14 -11.216   1.143   2.108
  108    HB2  ASP  14          2HB       ASP  14 -10.282   0.593  -0.696
  109    HB3  ASP  14          1HB       ASP  14 -11.490  -0.421   0.084