*HEADER    BIOSYNTHETIC PROTEIN                    03-SEP-19   6U7R              
*TITLE     NMR SOLUTION STRUCTURE OF SFTI1 BASED KLK7 PROTEASE INHIBITOR         
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: GLY-LYS-CYS-LEU-PHE-SER-ASN-PRO-PRO-ILE-CYS-PHE-PRO-ASN    
*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    KLK7 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 6U7R    0                                                
# Restraints file 1: restraints.tbl
!distance restraints
assign (resid   2 and name   HN)   (resid   2 and name  HB2)   2.975    1.175    1.175  
assign (resid   2 and name   HN)   (resid   2 and name  HB1)   2.975    1.175    1.175  
assign (resid   4 and name   HA)   (resid   5 and name   HN)   2.455    0.655    0.655  
assign (resid   2 and name   HA)   (resid   3 and name   HN)   2.420    0.620    0.620  
assign (resid   3 and name   HA)   (resid   4 and name   HN)   2.435    0.635    0.635  
assign (resid   4 and name   HN)   (resid   4 and name   HG)   3.130    1.330    1.330  
assign (resid   6 and name   HA)   (resid   7 and name   HN)   2.670    0.870    0.870  
assign (resid   8 and name   HA)   (resid   9 and name  HD2)   2.705    0.905    0.905  
assign (resid   8 and name   HA)   (resid   9 and name  HD1)   2.705    0.905    0.905  
assign (resid   9 and name   HA)   (resid  10 and name   HN)   2.510    0.710    0.710  
assign (resid  10 and name   HN)   (resid  10 and name   HB)   2.855    1.055    1.055  
assign (resid  10 and name   HA)   (resid  11 and name   HN)   2.400    0.600    0.600  
assign (resid  11 and name   HA)   (resid  12 and name   HN)   2.395    0.595    0.595  
assign (resid  12 and name   HN)   (resid  12 and name  HB2)   2.615    0.815    0.815  
assign (resid   3 and name   HA)   (resid  12 and name   HN)   3.050    1.250    1.250  
assign (resid   4 and name   HN)   (resid  11 and name   HA)   3.140    1.340    1.340  
assign (resid  12 and name   HA)   (resid  13 and name  HD2)   2.685    0.885    0.885  
assign (resid  12 and name   HA)   (resid  13 and name  HD1)   2.685    0.885    0.885  
assign (resid  12 and name  HB1)   (resid  13 and name  HD1)   2.825    1.025    1.025  
assign (resid  12 and name  HB1)   (resid  13 and name  HD2)   2.825    1.025    1.025  
assign (resid   3 and name  HB1)   (resid   4 and name   HN)   3.155    1.355    1.355  
assign (resid   4 and name   HN)   (resid  10 and name   HN)   3.060    1.260    1.260  
assign (resid   1 and name   HN)   (resid   2 and name   HN)   2.690    0.890    0.890  
assign (resid   2 and name  HB2)   (resid   3 and name   HN)   3.265    1.465    1.465  
assign (resid   2 and name  HB1)   (resid   3 and name   HN)   3.265    1.465    1.465  
assign (resid  10 and name HG2#)   (resid  11 and name   HN)   3.120    1.320    1.320  
assign (resid   1 and name   HN)   (resid  14 and name   HA)   3.165    1.365    1.365  
assign (resid   3 and name  HB2)   (resid   4 and name   HN)   3.155    1.355    1.355  
assign (resid  12 and name  HB1)   (resid  14 and name   HN)   2.940    1.140    1.140  
assign (resid  12 and name  HB2)   (resid  14 and name   HN)   3.035    1.235    1.235  
assign (resid   4 and name   HN)   (resid  10 and name HG2#)   3.420    1.620    1.620  
assign (resid   4 and name   HG)   (resid   5 and name   HN)   3.200    1.400    1.400  
assign (resid   4 and name HD2#)   (resid   5 and name   HN)   3.250    1.450    1.450  
assign (resid   4 and name HD1#)   (resid   5 and name   HN)   3.250    1.450    1.450  
assign (resid  10 and name   HB)   (resid  12 and name   HN)   3.650    1.850    1.850  
assign (resid  10 and name   HB)   (resid  11 and name   HN)   3.260    1.460    1.460  
assign (resid  10 and name   HN)   (resid  10 and name HG2#)   3.335    1.535    1.535  
assign (resid  10 and name   HN)   (resid  10 and name HG11)   3.330    1.530    1.530  
assign (resid   5 and name  HB2)   (resid   6 and name   HN)   3.345    1.545    1.545  
assign (resid   5 and name  HB1)   (resid   6 and name   HN)   3.345    1.545    1.545  
assign (resid   4 and name   HG)   (resid   6 and name   HN)   3.595    1.795    1.795  
assign (resid   6 and name   HN)   (resid   9 and name   HA)   3.040    1.240    1.240  
assign (resid  10 and name   HN)   (resid  10 and name HG12)   3.330    1.530    1.530  
assign (resid  10 and name HG2#)   (resid  12 and name  HD#)   3.175    1.375    1.375  
assign (resid  10 and name HD1#)   (resid  12 and name  HD#)   3.650    1.850    1.850  
assign (resid  10 and name   HB)   (resid  12 and name  HD#)   3.190    1.390    1.390  
assign (resid   1 and name   HN)   (resid  14 and name   HN)   2.950    1.150    1.150  
assign (resid   3 and name   HA)   (resid  11 and name   HA)   2.595    0.795    0.795  
assign (resid   4 and name   HA)   (resid   4 and name   HG)   2.980    1.180    1.180  
assign (resid  10 and name   HA)   (resid  10 and name HD1#)   3.035    1.235    1.235  
assign (resid  10 and name   HA)   (resid  10 and name HG2#)   2.890    1.090    1.090  
assign (resid   4 and name   HG)   (resid  10 and name HG2#)   3.650    1.850    1.850  
assign (resid  10 and name   HB)   (resid  10 and name HD1#)   2.935    1.135    1.135  
assign (resid   2 and name   HN)   (resid   2 and name  HB#)   2.680    0.880    0.880  
assign (resid   2 and name   HN)   (resid   2 and name  HG#)   3.325    1.525    1.525  
assign (resid   2 and name  HB#)   (resid   3 and name   HN)   2.920    1.120    1.120  
assign (resid   2 and name  HB#)   (resid  14 and name HD2#)   3.165    1.365    1.365  
assign (resid   3 and name  HB#)   (resid   4 and name   HN)   2.760    0.960    0.960  
assign (resid   3 and name  HB#)   (resid  11 and name   HA)   3.115    1.315    1.315  
assign (resid   4 and name   HN)   (resid   4 and name  HD#)   3.365    1.565    1.565  
assign (resid   4 and name   HA)   (resid   4 and name  HD#)   2.890    1.090    1.090  
assign (resid   4 and name  HB#)   (resid   4 and name   HG)   2.160    0.360    0.360  
assign (resid   4 and name  HB#)   (resid   5 and name   HN)   3.120    1.320    1.320  
assign (resid   4 and name  HB#)   (resid  10 and name HG2#)   3.505    1.705    1.705  
assign (resid   4 and name  HD#)   (resid   5 and name   HN)   2.965    1.165    1.165  
assign (resid   4 and name  HD#)   (resid  10 and name   HB)   3.470    1.670    1.670  
assign (resid   4 and name  HD#)   (resid  10 and name HG2#)   3.620    1.820    1.820  
assign (resid   4 and name  HD#)   (resid  12 and name  HD#)   3.540    1.740    1.740  
assign (resid   5 and name   HN)   (resid   5 and name  HB#)   2.650    0.850    0.850  
assign (resid   5 and name  HB#)   (resid   6 and name   HN)   2.975    1.175    1.175  
assign (resid   6 and name   HN)   (resid   9 and name  HG#)   3.575    1.775    1.775  
assign (resid   6 and name  HB#)   (resid   7 and name   HN)   2.635    0.835    0.835  
assign (resid   7 and name   HN)   (resid   7 and name  HB#)   2.720    0.920    0.920  
assign (resid   8 and name   HA)   (resid   9 and name  HD#)   2.415    0.615    0.615  
assign (resid   8 and name  HB#)   (resid   9 and name  HD#)   2.565    0.765    0.765  
assign (resid  10 and name   HN)   (resid  10 and name HG1#)   3.015    1.215    1.215  
assign (resid  11 and name   HN)   (resid  11 and name  HB#)   2.650    0.850    0.850  
assign (resid  11 and name  HB#)   (resid  12 and name   HN)   3.055    1.255    1.255  
assign (resid  12 and name   HA)   (resid  13 and name  HD#)   2.425    0.625    0.625  
assign (resid  12 and name  HB2)   (resid  13 and name  HD#)   3.055    1.255    1.255  
assign (resid  12 and name  HB1)   (resid  13 and name  HD#)   2.570    0.770    0.770  
assign (resid  12 and name  HD#)   (resid  13 and name  HD#)   3.270    1.470    1.470  
assign (resid  13 and name  HB#)   (resid  14 and name   HN)   2.940    1.140    1.140  
assign (resid  13 and name  HD#)   (resid  14 and name   HN)   3.120    1.320    1.320  
assign (resid  14 and name   HN)   (resid  14 and name  HB#)   2.655    0.855    0.855  

!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 -124.0   23.9 2
assign (resid 3     and name N    ) (resid 3     and name CA   ) (resid 3     and name C    ) (resid 4     and name N    )    1.0  150.8   20.0 2
assign (resid 3     and name C    ) (resid 4     and name N    ) (resid 4     and name CA   ) (resid 4     and name C    )    1.0 -108.0   20.0 2
assign (resid 4     and name N    ) (resid 4     and name CA   ) (resid 4     and name C    ) (resid 5     and name N    )    1.0  123.8   20.0 2
assign (resid 4     and name C    ) (resid 5     and name N    ) (resid 5     and name CA   ) (resid 5     and name C    )    1.0  -91.7   37.6 2
assign (resid 5     and name N    ) (resid 5     and name CA   ) (resid 5     and name C    ) (resid 6     and name N    )    1.0   88.0   94.5 2
assign (resid 5     and name C    ) (resid 6     and name N    ) (resid 6     and name CA   ) (resid 6     and name C    )    1.0  -99.8   70.0 2
assign (resid 6     and name N    ) (resid 6     and name CA   ) (resid 6     and name C    ) (resid 7     and name N    )    1.0  154.6   76.1 2
assign (resid 6     and name C    ) (resid 7     and name N    ) (resid 7     and name CA   ) (resid 7     and name C    )    1.0 -115.5   60.0 2
assign (resid 7     and name N    ) (resid 7     and name CA   ) (resid 7     and name C    ) (resid 8     and name N    )    1.0  103.1   67.8 2
assign (resid 8     and name N    ) (resid 8     and name CA   ) (resid 8     and name C    ) (resid 9     and name N    )    1.0  155.7   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  121.0   69.9 2
assign (resid 9     and name C    ) (resid 10    and name N    ) (resid 10    and name CA   ) (resid 10    and name C    )    1.0 -100.7   27.2 2
assign (resid 10    and name N    ) (resid 10    and name CA   ) (resid 10    and name C    ) (resid 11    and name N    )    1.0  128.1   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 -116.5   22.5 2
assign (resid 11    and name N    ) (resid 11    and name CA   ) (resid 11    and name C    ) (resid 12    and name N    )    1.0  139.2   27.9 2
assign (resid 11    and name C    ) (resid 12    and name N    ) (resid 12    and name CA   ) (resid 12    and name C    )    1.0  -89.1   35.1 2
assign (resid 12    and name N    ) (resid 12    and name CA   ) (resid 12    and name C    ) (resid 13    and name N    )    1.0  132.6   54.5 2
assign (resid 13    and name C    ) (resid 14    and name N    ) (resid 14    and name CA   ) (resid 14    and name C    )    1.0  -87.1   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
assign (resid 14    and name N    ) (resid 14    and name CA   ) (resid 14    and name CB   ) (resid 14    and name CG   )    1.0   60.0   30.0 2

!HBonds
assign (resid 10 and name HN)(resid 4 and name O) 0 0 2
assign (resid 10 and name N)(resid 4 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  -7.852   0.300   0.503
    2    HA2  GLY   1          2HA       GLY   1  -7.698   0.009   2.866
    3    HA3  GLY   1          1HA       GLY   1  -8.628  -1.466   2.701
    4    H    LYS   2           H        LYS   2  -6.559  -1.736   0.256
    5    HA   LYS   2           HA       LYS   2  -4.837  -3.507   1.815
    6    HB2  LYS   2          2HB       LYS   2  -4.955  -3.050  -1.161
    7    HB3  LYS   2          1HB       LYS   2  -4.034  -4.292  -0.344
    8    HG2  LYS   2          2HG       LYS   2  -7.052  -4.130  -0.364
    9    HG3  LYS   2          1HG       LYS   2  -6.102  -5.095  -1.479
   10    HD2  LYS   2          2HD       LYS   2  -6.791  -6.635   0.141
   11    HD3  LYS   2          1HD       LYS   2  -5.154  -6.234   0.634
   12    HE2  LYS   2          2HE       LYS   2  -6.046  -4.719   2.373
   13    HE3  LYS   2          1HE       LYS   2  -7.676  -5.039   1.795
   14    HZ1  LYS   2          1HZ       LYS   2  -7.115  -6.296   3.757
   15    HZ2  LYS   2          2HZ       LYS   2  -5.834  -7.042   2.950
   16    HZ3  LYS   2          3HZ       LYS   2  -7.411  -7.320   2.451
   17    H    CYS   3           H        CYS   3  -2.950  -3.034   2.520
   18    HA   CYS   3           HA       CYS   3  -1.579  -0.787   1.274
   19    HB2  CYS   3          2HB       CYS   3  -1.196  -2.054   3.991
   20    HB3  CYS   3          1HB       CYS   3  -0.162  -0.793   3.324
   21    H    LEU   4           H        LEU   4   0.137  -1.077   0.185
   22    HA   LEU   4           HA       LEU   4   1.218  -3.766  -0.116
   23    HB2  LEU   4          2HB       LEU   4   0.464  -2.633  -2.114
   24    HB3  LEU   4          1HB       LEU   4   1.441  -1.233  -1.736
   25    HG   LEU   4           HG       LEU   4   3.477  -2.601  -2.117
   26   HD11  LEU   4          1HD1      LEU   4   3.261  -4.757  -3.242
   27   HD12  LEU   4          2HD1      LEU   4   1.512  -4.695  -3.016
   28   HD13  LEU   4          3HD1      LEU   4   2.583  -4.797  -1.616
   29   HD21  LEU   4          1HD2      LEU   4   1.501  -2.526  -4.388
   30   HD22  LEU   4          2HD2      LEU   4   3.248  -2.693  -4.550
   31   HD23  LEU   4          3HD2      LEU   4   2.563  -1.211  -3.884
   32    H    PHE   5           H        PHE   5   3.227  -4.214   0.597
   33    HA   PHE   5           HA       PHE   5   4.591  -2.346   2.209
   34    HB2  PHE   5          2HB       PHE   5   4.770  -4.783   2.623
   35    HB3  PHE   5          1HB       PHE   5   5.624  -4.969   1.094
   36    HD1  PHE   5          1HD       PHE   5   7.943  -4.747   1.010
   37    HD2  PHE   5          2HD       PHE   5   5.837  -3.245   4.384
   38    HE1  PHE   5          1HE       PHE   5  10.081  -4.274   2.131
   39    HE2  PHE   5          2HE       PHE   5   7.965  -2.771   5.506
   40    HZ   PHE   5           HZ       PHE   5  10.092  -3.285   4.380
   41    H    SER   6           H        SER   6   5.500  -0.695   1.473
   42    HA   SER   6           HA       SER   6   7.546  -0.744  -0.495
   43    HB2  SER   6          2HB       SER   6   5.026   0.934  -0.901
   44    HB3  SER   6          1HB       SER   6   6.472   0.995  -1.907
   45    HG   SER   6           HG       SER   6   5.572  -1.514  -1.671
   46    H    ASN   7           H        ASN   7   8.136   1.852  -0.570
   47    HA   ASN   7           HA       ASN   7   7.414   2.997   1.981
   48    HB2  ASN   7          2HB       ASN   7   9.595   1.876   2.336
   49    HB3  ASN   7          1HB       ASN   7  10.281   2.816   1.014
   50   HD21  ASN   7          1HD2      ASN   7  11.794   3.730   2.395
   51   HD22  ASN   7          2HD2      ASN   7  11.379   4.965   3.513
   52    HA   PRO   8           HA       PRO   8   6.498   4.592   2.639
   53    HB2  PRO   8          2HB       PRO   8   4.314   6.099   2.089
   54    HB3  PRO   8          1HB       PRO   8   5.838   6.801   2.638
   55    HG2  PRO   8          2HG       PRO   8   4.710   6.646  -0.120
   56    HG3  PRO   8          1HG       PRO   8   5.581   7.974   0.666
   57    HD2  PRO   8          2HD       PRO   8   6.731   6.230  -1.103
   58    HD3  PRO   8          1HD       PRO   8   7.629   7.085   0.162
   59    HA   PRO   9           HA       PRO   9   4.014   1.135   1.395
   60    HB2  PRO   9          2HB       PRO   9   2.080   1.264   3.383
   61    HB3  PRO   9          1HB       PRO   9   3.659   0.485   3.544
   62    HG2  PRO   9          2HG       PRO   9   2.797   3.208   4.413
   63    HG3  PRO   9          1HG       PRO   9   3.838   2.038   5.247
   64    HD2  PRO   9          2HD       PRO   9   4.875   4.137   3.983
   65    HD3  PRO   9          1HD       PRO   9   5.680   2.552   3.922
   66    H    ILE  10           H        ILE  10   2.711   1.148  -0.252
   67    HA   ILE  10           HA       ILE  10   0.951   3.366  -0.726
   68    HB   ILE  10           HB       ILE  10   1.299   0.826  -2.352
   69   HG12  ILE  10          2HG1      ILE  10   2.599   3.539  -2.729
   70   HG13  ILE  10          1HG1      ILE  10   3.410   2.128  -2.063
   71   HG21  ILE  10          1HG2      ILE  10   0.117   3.514  -3.080
   72   HG22  ILE  10          2HG2      ILE  10  -0.790   2.025  -2.821
   73   HG23  ILE  10          3HG2      ILE  10   0.326   2.152  -4.181
   74   HD11  ILE  10          1HD1      ILE  10   3.114   0.964  -4.187
   75   HD12  ILE  10          2HD1      ILE  10   3.987   2.484  -4.397
   76   HD13  ILE  10          3HD1      ILE  10   2.283   2.375  -4.840
   77    H    CYS  11           H        CYS  11  -0.813   3.398   0.398
   78    HA   CYS  11           HA       CYS  11  -2.291   0.920   0.773
   79    HB2  CYS  11          2HB       CYS  11  -2.475   3.570   2.200
   80    HB3  CYS  11          1HB       CYS  11  -3.583   2.228   2.485
   81    H    PHE  12           H        PHE  12  -3.709   0.540  -0.612
   82    HA   PHE  12           HA       PHE  12  -4.695   2.540  -2.392
   83    HB2  PHE  12          2HB       PHE  12  -5.371  -0.400  -2.087
   84    HB3  PHE  12          1HB       PHE  12  -5.930   0.624  -3.401
   85    HD1  PHE  12          1HD       PHE  12  -2.987  -1.051  -1.930
   86    HD2  PHE  12          2HD       PHE  12  -4.479   1.208  -5.219
   87    HE1  PHE  12          1HE       PHE  12  -0.978  -1.606  -3.222
   88    HE2  PHE  12          2HE       PHE  12  -2.469   0.658  -6.509
   89    HZ   PHE  12           HZ       PHE  12  -0.714  -0.753  -5.517
   90    HA   PRO  13           HA       PRO  13  -8.419   3.740  -0.249
   91    HB2  PRO  13          2HB       PRO  13  -9.881   3.284  -2.803
   92    HB3  PRO  13          1HB       PRO  13  -9.790   4.742  -1.810
   93    HG2  PRO  13          2HG       PRO  13  -8.433   4.613  -4.082
   94    HG3  PRO  13          1HG       PRO  13  -7.697   5.335  -2.640
   95    HD2  PRO  13          2HD       PRO  13  -7.262   2.629  -3.836
   96    HD3  PRO  13          1HD       PRO  13  -6.082   3.781  -3.172
   97    H    ASN  14           H        ASN  14  -8.317   0.777  -1.952
   98    HA   ASN  14           HA       ASN  14 -10.792  -0.262  -0.938
   99    HB2  ASN  14          2HB       ASN  14 -10.027  -2.433  -1.901
  100    HB3  ASN  14          1HB       ASN  14 -10.021  -1.118  -3.065
  101   HD21  ASN  14          1HD2      ASN  14  -8.524  -2.077  -4.407
  102   HD22  ASN  14          2HD2      ASN  14  -6.873  -2.310  -3.956
  Start of MODEL    2
    1    H1   GLY   1           H        GLY   1  -7.962   0.085   0.548
    2    HA2  GLY   1          2HA       GLY   1  -7.936   0.004   2.908
    3    HA3  GLY   1          1HA       GLY   1  -9.065  -1.344   2.856
    4    H    LYS   2           H        LYS   2  -6.394  -1.391   0.675
    5    HA   LYS   2           HA       LYS   2  -4.961  -3.169   2.497
    6    HB2  LYS   2          2HB       LYS   2  -5.492  -3.664  -0.442
    7    HB3  LYS   2          1HB       LYS   2  -4.374  -4.606   0.530
    8    HG2  LYS   2          2HG       LYS   2  -7.351  -4.397   0.970
    9    HG3  LYS   2          1HG       LYS   2  -6.503  -5.759   0.238
   10    HD2  LYS   2          2HD       LYS   2  -5.309  -6.158   2.338
   11    HD3  LYS   2          1HD       LYS   2  -6.101  -4.762   3.067
   12    HE2  LYS   2          2HE       LYS   2  -8.283  -5.859   2.727
   13    HE3  LYS   2          1HE       LYS   2  -7.451  -7.267   2.072
   14    HZ1  LYS   2          1HZ       LYS   2  -7.194  -6.224   4.855
   15    HZ2  LYS   2          2HZ       LYS   2  -6.337  -7.522   4.225
   16    HZ3  LYS   2          3HZ       LYS   2  -7.999  -7.621   4.374
   17    H    CYS   3           H        CYS   3  -2.806  -2.981   2.527
   18    HA   CYS   3           HA       CYS   3  -1.720  -0.792   0.915
   19    HB2  CYS   3          2HB       CYS   3  -0.854  -1.742   3.645
   20    HB3  CYS   3          1HB       CYS   3  -0.142  -0.410   2.745
   21    H    LEU   4           H        LEU   4  -0.118  -1.159  -0.360
   22    HA   LEU   4           HA       LEU   4   1.211  -3.742  -0.474
   23    HB2  LEU   4          2HB       LEU   4   0.531  -2.691  -2.550
   24    HB3  LEU   4          1HB       LEU   4   1.369  -1.210  -2.134
   25    HG   LEU   4           HG       LEU   4   3.522  -2.481  -2.310
   26   HD11  LEU   4          1HD1      LEU   4   1.757  -4.626  -3.452
   27   HD12  LEU   4          2HD1      LEU   4   2.655  -4.717  -1.936
   28   HD13  LEU   4          3HD1      LEU   4   3.518  -4.614  -3.471
   29   HD21  LEU   4          1HD2      LEU   4   3.542  -2.524  -4.753
   30   HD22  LEU   4          2HD2      LEU   4   2.719  -1.091  -4.137
   31   HD23  LEU   4          3HD2      LEU   4   1.779  -2.443  -4.769
   32    H    PHE   5           H        PHE   5   3.154  -4.037   0.553
   33    HA   PHE   5           HA       PHE   5   4.188  -1.870   2.070
   34    HB2  PHE   5          2HB       PHE   5   4.301  -4.208   2.916
   35    HB3  PHE   5          1HB       PHE   5   5.440  -4.589   1.625
   36    HD1  PHE   5          1HD       PHE   5   7.738  -4.005   1.788
   37    HD2  PHE   5          2HD       PHE   5   4.962  -2.626   4.701
   38    HE1  PHE   5          1HE       PHE   5   9.595  -3.253   3.202
   39    HE2  PHE   5          2HE       PHE   5   6.824  -1.874   6.117
   40    HZ   PHE   5           HZ       PHE   5   9.135  -2.183   5.371
   41    H    SER   6           H        SER   6   5.643  -0.499   1.602
   42    HA   SER   6           HA       SER   6   7.779  -0.808  -0.206
   43    HB2  SER   6          2HB       SER   6   5.517   1.137  -0.869
   44    HB3  SER   6          1HB       SER   6   7.046   1.011  -1.729
   45    HG   SER   6           HG       SER   6   5.854  -1.379  -1.613
   46    H    ASN   7           H        ASN   7   8.617   1.777  -0.253
   47    HA   ASN   7           HA       ASN   7   7.645   2.979   2.171
   48    HB2  ASN   7          2HB       ASN   7   9.900   3.642   2.937
   49    HB3  ASN   7          1HB       ASN   7   9.701   1.904   2.914
   50   HD21  ASN   7          1HD2      ASN   7  12.079   3.480   2.968
   51   HD22  ASN   7          2HD2      ASN   7  13.028   3.026   1.597
   52    HA   PRO   8           HA       PRO   8   6.595   4.543   2.792
   53    HB2  PRO   8          2HB       PRO   8   4.545   6.044   1.325
   54    HB3  PRO   8          1HB       PRO   8   5.290   6.423   2.876
   55    HG2  PRO   8          2HG       PRO   8   5.787   7.884   0.677
   56    HG3  PRO   8          1HG       PRO   8   7.028   7.591   1.911
   57    HD2  PRO   8          2HD       PRO   8   6.626   6.219  -0.726
   58    HD3  PRO   8          1HD       PRO   8   8.127   6.831   0.002
   59    HA   PRO   9           HA       PRO   9   4.169   1.146   1.134
   60    HB2  PRO   9          2HB       PRO   9   2.161   1.744   3.234
   61    HB3  PRO   9          1HB       PRO   9   3.066   0.256   2.949
   62    HG2  PRO   9          2HG       PRO   9   3.649   1.839   5.019
   63    HG3  PRO   9          1HG       PRO   9   4.923   1.002   4.116
   64    HD2  PRO   9          2HD       PRO   9   4.068   3.864   3.978
   65    HD3  PRO   9          1HD       PRO   9   5.702   3.161   3.941
   66    H    ILE  10           H        ILE  10   2.510   0.933  -0.312
   67    HA   ILE  10           HA       ILE  10   1.024   3.383  -0.871
   68    HB   ILE  10           HB       ILE  10   1.242   0.858  -2.555
   69   HG12  ILE  10          2HG1      ILE  10   2.652   3.520  -2.894
   70   HG13  ILE  10          1HG1      ILE  10   3.415   2.051  -2.293
   71   HG21  ILE  10          1HG2      ILE  10   0.150   3.598  -3.226
   72   HG22  ILE  10          2HG2      ILE  10  -0.799   2.129  -3.001
   73   HG23  ILE  10          3HG2      ILE  10   0.318   2.257  -4.361
   74   HD11  ILE  10          1HD1      ILE  10   2.248   2.452  -5.042
   75   HD12  ILE  10          2HD1      ILE  10   3.024   0.980  -4.458
   76   HD13  ILE  10          3HD1      ILE  10   3.962   2.464  -4.626
   77    H    CYS  11           H        CYS  11  -0.779   3.479   0.272
   78    HA   CYS  11           HA       CYS  11  -2.284   1.039   0.688
   79    HB2  CYS  11          2HB       CYS  11  -2.517   3.754   1.986
   80    HB3  CYS  11          1HB       CYS  11  -3.628   2.421   2.291
   81    H    PHE  12           H        PHE  12  -3.758   0.529  -0.633
   82    HA   PHE  12           HA       PHE  12  -4.805   2.461  -2.471
   83    HB2  PHE  12          2HB       PHE  12  -5.329  -0.508  -2.149
   84    HB3  PHE  12          1HB       PHE  12  -5.941   0.494  -3.457
   85    HD1  PHE  12          1HD       PHE  12  -4.503   1.217  -5.249
   86    HD2  PHE  12          2HD       PHE  12  -2.982  -1.147  -2.055
   87    HE1  PHE  12          1HE       PHE  12  -2.485   0.734  -6.569
   88    HE2  PHE  12          2HE       PHE  12  -0.968  -1.632  -3.365
   89    HZ   PHE  12           HZ       PHE  12  -0.709  -0.696  -5.626
   90    HA   PRO  13           HA       PRO  13  -8.410   3.527  -0.089
   91    HB2  PRO  13          2HB       PRO  13  -9.866   3.315  -2.683
   92    HB3  PRO  13          1HB       PRO  13  -9.830   4.644  -1.518
   93    HG2  PRO  13          2HG       PRO  13  -8.437   4.839  -3.749
   94    HG3  PRO  13          1HG       PRO  13  -7.724   5.362  -2.212
   95    HD2  PRO  13          2HD       PRO  13  -7.229   2.852  -3.767
   96    HD3  PRO  13          1HD       PRO  13  -6.085   3.905  -2.916
   97    H    ASN  14           H        ASN  14  -8.283   0.583  -1.850
   98    HA   ASN  14           HA       ASN  14 -10.858  -0.386  -1.063
   99    HB2  ASN  14          2HB       ASN  14 -10.235  -2.531  -1.934
  100    HB3  ASN  14          1HB       ASN  14  -9.586  -1.336  -3.034
  101   HD21  ASN  14          1HD2      ASN  14  -8.841  -4.076  -2.642
  102   HD22  ASN  14          2HD2      ASN  14  -7.175  -4.115  -2.231
  Start of MODEL    3
    1    H1   GLY   1           H        GLY   1  -8.090  -0.070   0.512
    2    HA2  GLY   1          2HA       GLY   1  -7.829  -0.361   2.859
    3    HA3  GLY   1          1HA       GLY   1  -9.009  -1.666   2.790
    4    H    LYS   2           H        LYS   2  -6.097  -0.996   0.922
    5    HA   LYS   2           HA       LYS   2  -4.841  -3.365   2.004
    6    HB2  LYS   2          2HB       LYS   2  -6.119  -4.240   0.106
    7    HB3  LYS   2          1HB       LYS   2  -5.438  -3.013  -0.938
    8    HG2  LYS   2          2HG       LYS   2  -4.432  -5.241  -1.279
    9    HG3  LYS   2          1HG       LYS   2  -3.254  -4.021  -0.804
   10    HD2  LYS   2          2HD       LYS   2  -2.845  -6.111   0.366
   11    HD3  LYS   2          1HD       LYS   2  -3.319  -4.841   1.486
   12    HE2  LYS   2          2HE       LYS   2  -4.425  -6.862   2.119
   13    HE3  LYS   2          1HE       LYS   2  -5.637  -5.774   1.458
   14    HZ1  LYS   2          1HZ       LYS   2  -4.372  -8.072   0.088
   15    HZ2  LYS   2          2HZ       LYS   2  -5.444  -7.011  -0.667
   16    HZ3  LYS   2          3HZ       LYS   2  -5.973  -7.982   0.598
   17    H    CYS   3           H        CYS   3  -2.793  -2.888   2.424
   18    HA   CYS   3           HA       CYS   3  -1.604  -0.625   1.023
   19    HB2  CYS   3          2HB       CYS   3  -0.882  -1.819   3.700
   20    HB3  CYS   3          1HB       CYS   3  -0.085  -0.448   2.944
   21    H    LEU   4           H        LEU   4   0.028  -0.886  -0.198
   22    HA   LEU   4           HA       LEU   4   1.278  -3.479  -0.506
   23    HB2  LEU   4          2HB       LEU   4   0.674  -2.183  -2.481
   24    HB3  LEU   4          1HB       LEU   4   1.606  -0.818  -1.907
   25    HG   LEU   4           HG       LEU   4   3.676  -2.134  -2.220
   26   HD11  LEU   4          1HD1      LEU   4   2.767  -4.370  -1.946
   27   HD12  LEU   4          2HD1      LEU   4   3.595  -4.216  -3.496
   28   HD13  LEU   4          3HD1      LEU   4   1.833  -4.188  -3.431
   29   HD21  LEU   4          1HD2      LEU   4   2.915  -0.641  -3.956
   30   HD22  LEU   4          2HD2      LEU   4   1.876  -1.899  -4.618
   31   HD23  LEU   4          3HD2      LEU   4   3.629  -2.082  -4.678
   32    H    PHE   5           H        PHE   5   3.145  -3.940   0.517
   33    HA   PHE   5           HA       PHE   5   4.194  -1.935   2.246
   34    HB2  PHE   5          2HB       PHE   5   4.914  -4.851   1.949
   35    HB3  PHE   5          1HB       PHE   5   5.710  -3.766   3.082
   36    HD1  PHE   5          1HD       PHE   5   4.559  -2.930   5.037
   37    HD2  PHE   5          2HD       PHE   5   2.600  -5.558   2.319
   38    HE1  PHE   5          1HE       PHE   5   2.786  -3.322   6.691
   39    HE2  PHE   5          2HE       PHE   5   0.831  -5.951   3.966
   40    HZ   PHE   5           HZ       PHE   5   0.915  -4.834   6.159
   41    H    SER   6           H        SER   6   4.905  -0.520   0.824
   42    HA   SER   6           HA       SER   6   7.545  -1.040  -0.315
   43    HB2  SER   6          2HB       SER   6   6.927   1.005  -1.703
   44    HB3  SER   6          1HB       SER   6   5.953  -0.429  -2.032
   45    HG   SER   6           HG       SER   6   5.236   1.981  -0.837
   46    H    ASN   7           H        ASN   7   8.490   1.536  -0.392
   47    HA   ASN   7           HA       ASN   7   7.842   2.770   2.145
   48    HB2  ASN   7          2HB       ASN   7   9.888   1.357   2.493
   49    HB3  ASN   7          1HB       ASN   7  10.694   2.281   1.230
   50   HD21  ASN   7          1HD2      ASN   7  11.421   4.354   1.692
   51   HD22  ASN   7          2HD2      ASN   7  11.434   4.997   3.288
   52    HA   PRO   8           HA       PRO   8   6.978   4.451   2.664
   53    HB2  PRO   8          2HB       PRO   8   4.990   6.151   1.907
   54    HB3  PRO   8          1HB       PRO   8   6.503   6.707   2.625
   55    HG2  PRO   8          2HG       PRO   8   5.651   6.680  -0.230
   56    HG3  PRO   8          1HG       PRO   8   6.590   7.894   0.647
   57    HD2  PRO   8          2HD       PRO   8   7.698   6.032  -1.034
   58    HD3  PRO   8          1HD       PRO   8   8.566   6.781   0.315
   59    HA   PRO   9           HA       PRO   9   4.122   1.323   1.245
   60    HB2  PRO   9          2HB       PRO   9   2.331   2.225   3.434
   61    HB3  PRO   9          1HB       PRO   9   3.007   0.623   3.129
   62    HG2  PRO   9          2HG       PRO   9   3.934   2.137   5.114
   63    HG3  PRO   9          1HG       PRO   9   5.027   1.137   4.138
   64    HD2  PRO   9          2HD       PRO   9   4.537   4.084   4.013
   65    HD3  PRO   9          1HD       PRO   9   6.058   3.171   3.863
   66    H    ILE  10           H        ILE  10   2.417   1.199  -0.081
   67    HA   ILE  10           HA       ILE  10   0.931   3.680  -0.598
   68    HB   ILE  10           HB       ILE  10   1.225   1.262  -2.411
   69   HG12  ILE  10          2HG1      ILE  10   2.676   3.924  -2.534
   70   HG13  ILE  10          1HG1      ILE  10   3.394   2.410  -2.013
   71   HG21  ILE  10          1HG2      ILE  10   0.352   2.771  -4.143
   72   HG22  ILE  10          2HG2      ILE  10   0.177   4.049  -2.941
   73   HG23  ILE  10          3HG2      ILE  10  -0.793   2.583  -2.815
   74   HD11  ILE  10          1HD1      ILE  10   2.317   2.988  -4.765
   75   HD12  ILE  10          2HD1      ILE  10   3.067   1.482  -4.242
   76   HD13  ILE  10          3HD1      ILE  10   4.016   2.967  -4.297
   77    H    CYS  11           H        CYS  11  -0.951   3.656   0.446
   78    HA   CYS  11           HA       CYS  11  -2.324   1.103   0.696
   79    HB2  CYS  11          2HB       CYS  11  -2.788   3.695   2.184
   80    HB3  CYS  11          1HB       CYS  11  -3.719   2.221   2.403
   81    H    PHE  12           H        PHE  12  -3.899   0.619  -0.512
   82    HA   PHE  12           HA       PHE  12  -4.974   2.610  -2.311
   83    HB2  PHE  12          2HB       PHE  12  -5.248  -0.406  -2.225
   84    HB3  PHE  12          1HB       PHE  12  -5.939   0.619  -3.475
   85    HD1  PHE  12          1HD       PHE  12  -4.459   1.821  -5.038
   86    HD2  PHE  12          2HD       PHE  12  -2.918  -0.980  -2.228
   87    HE1  PHE  12          1HE       PHE  12  -2.359   1.693  -6.317
   88    HE2  PHE  12          2HE       PHE  12  -0.829  -1.115  -3.501
   89    HZ   PHE  12           HZ       PHE  12  -0.539   0.224  -5.548
   90    HA   PRO  13           HA       PRO  13  -8.700   3.410  -0.178
   91    HB2  PRO  13          2HB       PRO  13 -10.506   3.515  -2.243
   92    HB3  PRO  13          1HB       PRO  13  -9.369   4.805  -1.841
   93    HG2  PRO  13          2HG       PRO  13  -9.154   2.662  -3.916
   94    HG3  PRO  13          1HG       PRO  13  -8.762   4.384  -4.048
   95    HD2  PRO  13          2HD       PRO  13  -6.843   2.565  -3.714
   96    HD3  PRO  13          1HD       PRO  13  -6.756   4.142  -2.905
   97    H    ASN  14           H        ASN  14  -8.396   0.427  -1.720
   98    HA   ASN  14           HA       ASN  14 -11.041  -0.522  -1.008
   99    HB2  ASN  14          2HB       ASN  14 -10.305  -2.711  -1.844
  100    HB3  ASN  14          1HB       ASN  14  -9.924  -1.456  -3.011
  101   HD21  ASN  14          1HD2      ASN  14  -8.797  -4.114  -2.665
  102   HD22  ASN  14          2HD2      ASN  14  -7.107  -3.904  -2.452
  Start of MODEL    4
    1    H1   GLY   1           H        GLY   1  -7.964  -0.148   0.335
    2    HA2  GLY   1          2HA       GLY   1  -8.173  -0.543   2.698
    3    HA3  GLY   1          1HA       GLY   1  -9.032  -2.028   2.325
    4    H    LYS   2           H        LYS   2  -6.513  -1.849   0.166
    5    HA   LYS   2           HA       LYS   2  -4.938  -3.585   1.924
    6    HB2  LYS   2          2HB       LYS   2  -4.943  -3.443  -1.099
    7    HB3  LYS   2          1HB       LYS   2  -4.013  -4.571  -0.128
    8    HG2  LYS   2          2HG       LYS   2  -7.027  -4.456  -0.301
    9    HG3  LYS   2          1HG       LYS   2  -5.978  -5.631  -1.094
   10    HD2  LYS   2          2HD       LYS   2  -5.266  -6.497   1.060
   11    HD3  LYS   2          1HD       LYS   2  -6.208  -5.262   1.894
   12    HE2  LYS   2          2HE       LYS   2  -7.404  -7.379   1.917
   13    HE3  LYS   2          1HE       LYS   2  -8.267  -6.193   0.945
   14    HZ1  LYS   2          1HZ       LYS   2  -8.218  -8.369  -0.132
   15    HZ2  LYS   2          2HZ       LYS   2  -6.555  -8.386  -0.099
   16    HZ3  LYS   2          3HZ       LYS   2  -7.352  -7.270  -1.064
   17    H    CYS   3           H        CYS   3  -2.864  -3.148   2.371
   18    HA   CYS   3           HA       CYS   3  -1.789  -0.667   1.267
   19    HB2  CYS   3          2HB       CYS   3  -1.201  -2.051   3.884
   20    HB3  CYS   3          1HB       CYS   3  -0.336  -0.639   3.290
   21    H    LEU   4           H        LEU   4  -0.071  -0.698   0.124
   22    HA   LEU   4           HA       LEU   4   1.267  -3.197  -0.417
   23    HB2  LEU   4          2HB       LEU   4   0.636  -1.778  -2.258
   24    HB3  LEU   4          1HB       LEU   4   1.511  -0.423  -1.570
   25    HG   LEU   4           HG       LEU   4   3.620  -1.682  -1.932
   26   HD11  LEU   4          1HD1      LEU   4   3.603  -3.592  -3.449
   27   HD12  LEU   4          2HD1      LEU   4   1.837  -3.613  -3.399
   28   HD13  LEU   4          3HD1      LEU   4   2.773  -3.932  -1.937
   29   HD21  LEU   4          1HD2      LEU   4   1.906  -1.187  -4.349
   30   HD22  LEU   4          2HD2      LEU   4   3.664  -1.361  -4.357
   31   HD23  LEU   4          3HD2      LEU   4   2.913  -0.009  -3.503
   32    H    PHE   5           H        PHE   5   2.974  -3.747   0.723
   33    HA   PHE   5           HA       PHE   5   4.304  -1.896   2.459
   34    HB2  PHE   5          2HB       PHE   5   4.831  -4.808   1.834
   35    HB3  PHE   5          1HB       PHE   5   5.823  -3.878   2.948
   36    HD1  PHE   5          1HD       PHE   5   5.076  -3.395   5.156
   37    HD2  PHE   5          2HD       PHE   5   2.460  -5.294   2.383
   38    HE1  PHE   5          1HE       PHE   5   3.524  -3.918   6.984
   39    HE2  PHE   5          2HE       PHE   5   0.902  -5.816   4.205
   40    HZ   PHE   5           HZ       PHE   5   1.425  -5.132   6.510
   41    H    SER   6           H        SER   6   5.408  -0.417   1.487
   42    HA   SER   6           HA       SER   6   7.684  -1.148  -0.120
   43    HB2  SER   6          2HB       SER   6   5.494   0.724  -1.047
   44    HB3  SER   6          1HB       SER   6   7.054   0.505  -1.838
   45    HG   SER   6           HG       SER   6   5.957  -1.875  -1.445
   46    H    ASN   7           H        ASN   7   8.579   1.322  -0.756
   47    HA   ASN   7           HA       ASN   7   8.416   2.827   1.734
   48    HB2  ASN   7          2HB       ASN   7  10.840   2.421  -0.035
   49    HB3  ASN   7          1HB       ASN   7  10.773   3.563   1.299
   50   HD21  ASN   7          1HD2      ASN   7  10.694   2.749   3.424
   51   HD22  ASN   7          2HD2      ASN   7  11.193   1.145   3.793
   52    HA   PRO   8           HA       PRO   8   7.201   4.135   2.306
   53    HB2  PRO   8          2HB       PRO   8   4.983   5.847   1.664
   54    HB3  PRO   8          1HB       PRO   8   6.319   6.176   2.767
   55    HG2  PRO   8          2HG       PRO   8   5.907   7.522   0.419
   56    HG3  PRO   8          1HG       PRO   8   7.487   7.337   1.200
   57    HD2  PRO   8          2HD       PRO   8   6.315   5.792  -1.078
   58    HD3  PRO   8          1HD       PRO   8   7.963   6.429  -0.869
   59    HA   PRO   9           HA       PRO   9   3.968   1.190   1.339
   60    HB2  PRO   9          2HB       PRO   9   2.460   2.277   3.653
   61    HB3  PRO   9          1HB       PRO   9   2.986   0.619   3.339
   62    HG2  PRO   9          2HG       PRO   9   4.210   2.101   5.175
   63    HG3  PRO   9          1HG       PRO   9   5.133   1.012   4.122
   64    HD2  PRO   9          2HD       PRO   9   4.802   3.976   3.967
   65    HD3  PRO   9          1HD       PRO   9   6.251   2.981   3.702
   66    H    ILE  10           H        ILE  10   2.191   1.201   0.125
   67    HA   ILE  10           HA       ILE  10   0.770   3.760  -0.142
   68    HB   ILE  10           HB       ILE  10   1.007   1.563  -2.233
   69   HG12  ILE  10          2HG1      ILE  10   2.392   4.260  -2.128
   70   HG13  ILE  10          1HG1      ILE  10   3.175   2.712  -1.840
   71   HG21  ILE  10          1HG2      ILE  10  -1.052   2.859  -2.410
   72   HG22  ILE  10          2HG2      ILE  10   0.031   3.227  -3.752
   73   HG23  ILE  10          3HG2      ILE  10  -0.122   4.359  -2.409
   74   HD11  ILE  10          1HD1      ILE  10   1.918   3.614  -4.425
   75   HD12  ILE  10          2HD1      ILE  10   2.686   2.052  -4.154
   76   HD13  ILE  10          3HD1      ILE  10   3.645   3.530  -4.079
   77    H    CYS  11           H        CYS  11  -1.016   3.575   1.037
   78    HA   CYS  11           HA       CYS  11  -2.487   1.073   1.016
   79    HB2  CYS  11          2HB       CYS  11  -2.858   3.595   2.637
   80    HB3  CYS  11          1HB       CYS  11  -3.898   2.181   2.747
   81    H    PHE  12           H        PHE  12  -3.919   0.750  -0.425
   82    HA   PHE  12           HA       PHE  12  -4.901   2.949  -2.026
   83    HB2  PHE  12          2HB       PHE  12  -5.331  -0.047  -2.231
   84    HB3  PHE  12          1HB       PHE  12  -5.882   1.132  -3.409
   85    HD1  PHE  12          1HD       PHE  12  -2.994  -0.652  -2.052
   86    HD2  PHE  12          2HD       PHE  12  -4.327   2.180  -4.928
   87    HE1  PHE  12          1HE       PHE  12  -0.856  -0.867  -3.257
   88    HE2  PHE  12          2HE       PHE  12  -2.206   1.969  -6.128
   89    HZ   PHE  12           HZ       PHE  12  -0.460   0.444  -5.298
   90    HA   PRO  13           HA       PRO  13  -8.807   3.217   0.079
   91    HB2  PRO  13          2HB       PRO  13 -10.491   3.889  -1.937
   92    HB3  PRO  13          1HB       PRO  13  -9.295   5.008  -1.272
   93    HG2  PRO  13          2HG       PRO  13  -9.128   3.310  -3.731
   94    HG3  PRO  13          1HG       PRO  13  -8.696   5.018  -3.523
   95    HD2  PRO  13          2HD       PRO  13  -6.829   3.080  -3.513
   96    HD3  PRO  13          1HD       PRO  13  -6.700   4.518  -2.480
   97    H    ASN  14           H        ASN  14  -8.059   0.616  -1.600
   98    HA   ASN  14           HA       ASN  14 -10.718  -0.576  -1.580
   99    HB2  ASN  14          2HB       ASN  14  -9.722  -2.514  -2.662
  100    HB3  ASN  14          1HB       ASN  14  -9.150  -1.080  -3.496
  101   HD21  ASN  14          1HD2      ASN  14  -7.987  -3.698  -3.483
  102   HD22  ASN  14          2HD2      ASN  14  -6.398  -3.544  -2.844
  Start of MODEL    5
    1    H1   GLY   1           H        GLY   1  -8.133  -0.050   0.676
    2    HA2  GLY   1          2HA       GLY   1  -7.826  -0.563   2.979
    3    HA3  GLY   1          1HA       GLY   1  -8.926  -1.922   2.780
    4    H    LYS   2           H        LYS   2  -6.002  -0.892   1.049
    5    HA   LYS   2           HA       LYS   2  -4.692  -3.384   1.778
    6    HB2  LYS   2          2HB       LYS   2  -5.881  -3.955  -0.262
    7    HB3  LYS   2          1HB       LYS   2  -5.229  -2.528  -1.050
    8    HG2  LYS   2          2HG       LYS   2  -2.978  -3.466  -0.952
    9    HG3  LYS   2          1HG       LYS   2  -3.586  -4.879  -0.091
   10    HD2  LYS   2          2HD       LYS   2  -3.262  -5.381  -2.456
   11    HD3  LYS   2          1HD       LYS   2  -4.968  -5.461  -2.030
   12    HE2  LYS   2          2HE       LYS   2  -5.222  -3.137  -2.913
   13    HE3  LYS   2          1HE       LYS   2  -3.546  -3.207  -3.453
   14    HZ1  LYS   2          1HZ       LYS   2  -4.181  -5.095  -4.873
   15    HZ2  LYS   2          2HZ       LYS   2  -5.043  -3.695  -5.224
   16    HZ3  LYS   2          3HZ       LYS   2  -5.788  -4.918  -4.370
   17    H    CYS   3           H        CYS   3  -2.663  -2.916   2.278
   18    HA   CYS   3           HA       CYS   3  -1.506  -0.529   1.084
   19    HB2  CYS   3          2HB       CYS   3  -0.860  -1.904   3.690
   20    HB3  CYS   3          1HB       CYS   3   0.152  -0.649   2.987
   21    H    LEU   4           H        LEU   4   0.273  -0.594  -0.022
   22    HA   LEU   4           HA       LEU   4   1.372  -3.134  -0.835
   23    HB2  LEU   4          2HB       LEU   4   0.852  -1.008  -2.244
   24    HB3  LEU   4          1HB       LEU   4   2.307  -0.362  -1.530
   25    HG   LEU   4           HG       LEU   4   2.756  -1.118  -3.721
   26   HD11  LEU   4          1HD1      LEU   4   4.582  -1.397  -2.254
   27   HD12  LEU   4          2HD1      LEU   4   4.551  -2.715  -3.427
   28   HD13  LEU   4          3HD1      LEU   4   4.004  -2.991  -1.774
   29   HD21  LEU   4          1HD2      LEU   4   2.500  -3.431  -4.444
   30   HD22  LEU   4          2HD2      LEU   4   0.954  -2.701  -4.006
   31   HD23  LEU   4          3HD2      LEU   4   1.746  -3.823  -2.901
   32    H    PHE   5           H        PHE   5   3.226  -3.863   0.023
   33    HA   PHE   5           HA       PHE   5   4.244  -2.349   2.254
   34    HB2  PHE   5          2HB       PHE   5   4.764  -5.224   1.487
   35    HB3  PHE   5          1HB       PHE   5   5.447  -4.431   2.905
   36    HD1  PHE   5          1HD       PHE   5   3.989  -3.773   4.770
   37    HD2  PHE   5          2HD       PHE   5   2.477  -5.907   1.423
   38    HE1  PHE   5          1HE       PHE   5   1.954  -4.336   6.041
   39    HE2  PHE   5          2HE       PHE   5   0.457  -6.470   2.682
   40    HZ   PHE   5           HZ       PHE   5   0.189  -5.679   5.002
   41    H    SER   6           H        SER   6   5.211  -0.795   1.138
   42    HA   SER   6           HA       SER   6   8.014  -1.316   0.725
   43    HB2  SER   6          2HB       SER   6   6.305   0.214  -1.278
   44    HB3  SER   6          1HB       SER   6   8.067   0.084  -1.314
   45    HG   SER   6           HG       SER   6   7.032  -2.335  -1.101
   46    H    ASN   7           H        ASN   7   8.840   1.263   0.244
   47    HA   ASN   7           HA       ASN   7   7.442   2.849   2.250
   48    HB2  ASN   7          2HB       ASN   7  10.411   2.336   2.055
   49    HB3  ASN   7          1HB       ASN   7   9.755   3.711   2.932
   50   HD21  ASN   7          1HD2      ASN   7  10.058   0.225   2.860
   51   HD22  ASN   7          2HD2      ASN   7   9.574  -0.022   4.494
   52    HA   PRO   8           HA       PRO   8   6.531   4.594   2.497
   53    HB2  PRO   8          2HB       PRO   8   4.638   6.132   1.375
   54    HB3  PRO   8          1HB       PRO   8   6.140   6.816   2.011
   55    HG2  PRO   8          2HG       PRO   8   5.410   6.161  -0.815
   56    HG3  PRO   8          1HG       PRO   8   6.198   7.617  -0.177
   57    HD2  PRO   8          2HD       PRO   8   7.568   5.581  -1.348
   58    HD3  PRO   8          1HD       PRO   8   8.256   6.609  -0.077
   59    HA   PRO   9           HA       PRO   9   3.806   1.365   1.148
   60    HB2  PRO   9          2HB       PRO   9   1.844   1.605   3.018
   61    HB3  PRO   9          1HB       PRO   9   3.412   0.863   3.346
   62    HG2  PRO   9          2HG       PRO   9   2.444   3.618   3.978
   63    HG3  PRO   9          1HG       PRO   9   3.436   2.529   4.965
   64    HD2  PRO   9          2HD       PRO   9   4.462   4.607   3.554
   65    HD3  PRO   9          1HD       PRO   9   5.371   3.117   3.868
   66    H    ILE  10           H        ILE  10   2.631   1.561  -0.609
   67    HA   ILE  10           HA       ILE  10   0.852   3.777  -1.083
   68    HB   ILE  10           HB       ILE  10   1.057   1.178  -2.638
   69   HG12  ILE  10          2HG1      ILE  10   2.519   3.773  -3.176
   70   HG13  ILE  10          1HG1      ILE  10   3.259   2.338  -2.472
   71   HG21  ILE  10          1HG2      ILE  10  -0.955   2.475  -3.104
   72   HG22  ILE  10          2HG2      ILE  10   0.133   2.495  -4.492
   73   HG23  ILE  10          3HG2      ILE  10   0.025   3.904  -3.437
   74   HD11  ILE  10          1HD1      ILE  10   3.768   2.509  -4.833
   75   HD12  ILE  10          2HD1      ILE  10   2.047   2.544  -5.220
   76   HD13  ILE  10          3HD1      ILE  10   2.765   1.093  -4.521
   77    H    CYS  11           H        CYS  11  -0.978   3.763   0.089
   78    HA   CYS  11           HA       CYS  11  -2.228   1.171   0.480
   79    HB2  CYS  11          2HB       CYS  11  -2.555   3.687   2.108
   80    HB3  CYS  11          1HB       CYS  11  -3.443   2.181   2.365
   81    H    PHE  12           H        PHE  12  -3.727   0.693  -0.714
   82    HA   PHE  12           HA       PHE  12  -5.052   2.577  -2.429
   83    HB2  PHE  12          2HB       PHE  12  -5.354  -0.418  -2.086
   84    HB3  PHE  12          1HB       PHE  12  -6.123   0.528  -3.349
   85    HD1  PHE  12          1HD       PHE  12  -4.902   1.227  -5.282
   86    HD2  PHE  12          2HD       PHE  12  -2.909  -0.778  -2.094
   87    HE1  PHE  12          1HE       PHE  12  -2.945   0.885  -6.722
   88    HE2  PHE  12          2HE       PHE  12  -0.950  -1.122  -3.535
   89    HZ   PHE  12           HZ       PHE  12  -0.961  -0.293  -5.849
   90    HA   PRO  13           HA       PRO  13  -8.488   3.350   0.164
   91    HB2  PRO  13          2HB       PRO  13 -10.477   3.791  -1.608
   92    HB3  PRO  13          1HB       PRO  13  -9.135   4.916  -1.370
   93    HG2  PRO  13          2HG       PRO  13  -9.483   2.812  -3.469
   94    HG3  PRO  13          1HG       PRO  13  -8.967   4.497  -3.667
   95    HD2  PRO  13          2HD       PRO  13  -7.200   2.474  -3.624
   96    HD3  PRO  13          1HD       PRO  13  -6.815   4.047  -2.902
   97    H    ASN  14           H        ASN  14  -8.421   0.508  -1.589
   98    HA   ASN  14           HA       ASN  14 -11.073  -0.395  -0.822
   99    HB2  ASN  14          2HB       ASN  14 -10.558  -2.460  -1.947
  100    HB3  ASN  14          1HB       ASN  14  -9.940  -1.161  -2.956
  101   HD21  ASN  14          1HD2      ASN  14  -9.167  -3.899  -1.047
  102   HD22  ASN  14          2HD2      ASN  14  -7.498  -3.975  -1.410
  Start of MODEL    6
    1    H1   GLY   1           H        GLY   1  -8.578  -0.476   0.779
    2    HA2  GLY   1          2HA       GLY   1  -8.043  -1.861   2.560
    3    HA3  GLY   1          1HA       GLY   1  -8.931  -3.160   1.773
    4    H    LYS   2           H        LYS   2  -6.297  -1.194   0.534
    5    HA   LYS   2           HA       LYS   2  -4.655  -3.602   0.444
    6    HB2  LYS   2          2HB       LYS   2  -5.634  -3.458  -1.734
    7    HB3  LYS   2          1HB       LYS   2  -5.249  -1.752  -1.859
    8    HG2  LYS   2          2HG       LYS   2  -2.831  -2.362  -1.812
    9    HG3  LYS   2          1HG       LYS   2  -3.318  -4.057  -1.856
   10    HD2  LYS   2          2HD       LYS   2  -4.359  -3.776  -3.985
   11    HD3  LYS   2          1HD       LYS   2  -4.122  -2.027  -3.929
   12    HE2  LYS   2          2HE       LYS   2  -2.474  -3.071  -5.390
   13    HE3  LYS   2          1HE       LYS   2  -1.695  -2.369  -3.975
   14    HZ1  LYS   2          1HZ       LYS   2  -1.616  -4.589  -2.990
   15    HZ2  LYS   2          2HZ       LYS   2  -0.815  -4.540  -4.465
   16    HZ3  LYS   2          3HZ       LYS   2  -2.347  -5.230  -4.362
   17    H    CYS   3           H        CYS   3  -3.055  -3.029   1.772
   18    HA   CYS   3           HA       CYS   3  -1.745  -0.486   1.216
   19    HB2  CYS   3          2HB       CYS   3  -1.706  -2.204   3.699
   20    HB3  CYS   3          1HB       CYS   3  -0.504  -0.951   3.415
   21    H    LEU   4           H        LEU   4   0.117  -0.450   0.324
   22    HA   LEU   4           HA       LEU   4   1.407  -2.920  -0.432
   23    HB2  LEU   4          2HB       LEU   4   1.102  -1.251  -2.133
   24    HB3  LEU   4          1HB       LEU   4   1.835  -0.023  -1.124
   25    HG   LEU   4           HG       LEU   4   3.986  -1.151  -1.311
   26   HD11  LEU   4          1HD1      LEU   4   3.254  -3.440  -1.664
   27   HD12  LEU   4          2HD1      LEU   4   4.290  -2.933  -2.998
   28   HD13  LEU   4          3HD1      LEU   4   2.541  -2.997  -3.213
   29   HD21  LEU   4          1HD2      LEU   4   2.677  -0.530  -3.942
   30   HD22  LEU   4          2HD2      LEU   4   4.418  -0.568  -3.630
   31   HD23  LEU   4          3HD2      LEU   4   3.403   0.633  -2.830
   32    H    PHE   5           H        PHE   5   2.985  -3.731   0.769
   33    HA   PHE   5           HA       PHE   5   4.143  -2.056   2.814
   34    HB2  PHE   5          2HB       PHE   5   4.378  -5.046   2.387
   35    HB3  PHE   5          1HB       PHE   5   5.081  -4.162   3.735
   36    HD1  PHE   5          1HD       PHE   5   3.636  -3.182   5.469
   37    HD2  PHE   5          2HD       PHE   5   2.027  -5.557   2.322
   38    HE1  PHE   5          1HE       PHE   5   1.548  -3.451   6.738
   39    HE2  PHE   5          2HE       PHE   5  -0.062  -5.830   3.589
   40    HZ   PHE   5           HZ       PHE   5  -0.307  -4.777   5.798
   41    H    SER   6           H        SER   6   5.328  -0.774   1.537
   42    HA   SER   6           HA       SER   6   7.983  -1.629   0.991
   43    HB2  SER   6          2HB       SER   6   6.226  -0.556  -1.261
   44    HB3  SER   6          1HB       SER   6   7.965  -0.807  -1.364
   45    HG   SER   6           HG       SER   6   6.637  -3.007  -0.503
   46    H    ASN   7           H        ASN   7   9.120   0.558   0.162
   47    HA   ASN   7           HA       ASN   7   7.760   2.755   1.529
   48    HB2  ASN   7          2HB       ASN   7  10.734   2.366   1.020
   49    HB3  ASN   7          1HB       ASN   7  10.030   3.822   1.703
   50   HD21  ASN   7          1HD2      ASN   7  12.011   2.072   2.837
   51   HD22  ASN   7          2HD2      ASN   7  11.378   1.480   4.319
   52    HA   PRO   8           HA       PRO   8   7.377   4.756   1.525
   53    HB2  PRO   8          2HB       PRO   8   5.466   6.216  -0.140
   54    HB3  PRO   8          1HB       PRO   8   6.692   6.868   0.950
   55    HG2  PRO   8          2HG       PRO   8   6.874   7.112  -1.732
   56    HG3  PRO   8          1HG       PRO   8   8.304   6.932  -0.702
   57    HD2  PRO   8          2HD       PRO   8   6.882   4.851  -2.326
   58    HD3  PRO   8          1HD       PRO   8   8.624   5.167  -2.173
   59    HA   PRO   9           HA       PRO   9   3.969   1.842   1.753
   60    HB2  PRO   9          2HB       PRO   9   2.833   3.670   3.794
   61    HB3  PRO   9          1HB       PRO   9   3.247   1.960   3.935
   62    HG2  PRO   9          2HG       PRO   9   4.759   3.798   5.089
   63    HG3  PRO   9          1HG       PRO   9   5.492   2.397   4.284
   64    HD2  PRO   9          2HD       PRO   9   5.235   5.215   3.304
   65    HD3  PRO   9          1HD       PRO   9   6.611   4.091   3.204
   66    H    ILE  10           H        ILE  10   2.431   1.796   0.263
   67    HA   ILE  10           HA       ILE  10   0.788   4.200  -0.137
   68    HB   ILE  10           HB       ILE  10   1.224   1.929  -2.104
   69   HG12  ILE  10          2HG1      ILE  10   2.412   4.721  -2.119
   70   HG13  ILE  10          1HG1      ILE  10   3.298   3.253  -1.726
   71   HG21  ILE  10          1HG2      ILE  10  -0.904   3.068  -2.365
   72   HG22  ILE  10          2HG2      ILE  10   0.175   3.438  -3.709
   73   HG23  ILE  10          3HG2      ILE  10  -0.084   4.633  -2.432
   74   HD11  ILE  10          1HD1      ILE  10   2.043   3.916  -4.382
   75   HD12  ILE  10          2HD1      ILE  10   2.904   2.428  -3.995
   76   HD13  ILE  10          3HD1      ILE  10   3.766   3.962  -3.997
   77    H    CYS  11           H        CYS  11  -1.092   3.988   0.809
   78    HA   CYS  11           HA       CYS  11  -2.363   1.375   0.793
   79    HB2  CYS  11          2HB       CYS  11  -2.737   3.697   2.686
   80    HB3  CYS  11          1HB       CYS  11  -3.807   2.299   2.638
   81    H    PHE  12           H        PHE  12  -3.960   1.062  -0.385
   82    HA   PHE  12           HA       PHE  12  -5.260   3.260  -1.757
   83    HB2  PHE  12          2HB       PHE  12  -5.351   0.275  -2.238
   84    HB3  PHE  12          1HB       PHE  12  -6.110   1.489  -3.249
   85    HD1  PHE  12          1HD       PHE  12  -2.973  -0.131  -2.324
   86    HD2  PHE  12          2HD       PHE  12  -4.754   2.894  -4.726
   87    HE1  PHE  12          1HE       PHE  12  -0.931  -0.020  -3.698
   88    HE2  PHE  12          2HE       PHE  12  -2.725   3.012  -6.092
   89    HZ   PHE  12           HZ       PHE  12  -0.806   1.549  -5.582
   90    HA   PRO  13           HA       PRO  13  -8.766   2.750   0.928
   91    HB2  PRO  13          2HB       PRO  13 -10.577   3.741  -1.122
   92    HB3  PRO  13          1HB       PRO  13 -10.005   4.549   0.337
   93    HG2  PRO  13          2HG       PRO  13  -9.244   5.323  -2.145
   94    HG3  PRO  13          1HG       PRO  13  -8.184   5.478  -0.732
   95    HD2  PRO  13          2HD       PRO  13  -8.215   3.377  -2.866
   96    HD3  PRO  13          1HD       PRO  13  -6.838   4.255  -2.161
   97    H    ASN  14           H        ASN  14  -8.299   0.553  -1.309
   98    HA   ASN  14           HA       ASN  14 -10.993  -0.578  -1.070
   99    HB2  ASN  14          2HB       ASN  14 -10.475  -2.095  -2.915
  100    HB3  ASN  14          1HB       ASN  14 -10.188  -0.437  -3.414
  101   HD21  ASN  14          1HD2      ASN  14  -9.187  -3.018  -4.386
  102   HD22  ASN  14          2HD2      ASN  14  -7.474  -2.913  -4.384
  Start of MODEL    7
    1    H1   GLY   1           H        GLY   1  -7.745   0.187   0.527
    2    HA2  GLY   1          2HA       GLY   1  -7.249   0.113   2.906
    3    HA3  GLY   1          1HA       GLY   1  -8.270  -1.312   3.010
    4    H    LYS   2           H        LYS   2  -6.824  -1.973   0.270
    5    HA   LYS   2           HA       LYS   2  -4.955  -3.775   1.423
    6    HB2  LYS   2          2HB       LYS   2  -6.136  -4.276  -0.686
    7    HB3  LYS   2          1HB       LYS   2  -5.322  -2.933  -1.461
    8    HG2  LYS   2          2HG       LYS   2  -3.186  -4.052  -1.253
    9    HG3  LYS   2          1HG       LYS   2  -3.937  -5.367  -0.348
   10    HD2  LYS   2          2HD       LYS   2  -5.318  -5.911  -2.302
   11    HD3  LYS   2          1HD       LYS   2  -4.540  -4.614  -3.210
   12    HE2  LYS   2          2HE       LYS   2  -2.403  -5.717  -3.030
   13    HE3  LYS   2          1HE       LYS   2  -3.090  -6.969  -1.998
   14    HZ1  LYS   2          1HZ       LYS   2  -3.801  -6.488  -4.852
   15    HZ2  LYS   2          2HZ       LYS   2  -4.469  -7.676  -3.864
   16    HZ3  LYS   2          3HZ       LYS   2  -2.838  -7.736  -4.255
   17    H    CYS   3           H        CYS   3  -3.000  -3.251   2.156
   18    HA   CYS   3           HA       CYS   3  -1.724  -0.917   0.941
   19    HB2  CYS   3          2HB       CYS   3  -1.218  -2.118   3.669
   20    HB3  CYS   3          1HB       CYS   3  -0.382  -0.731   2.992
   21    H    LEU   4           H        LEU   4   0.011  -1.100  -0.126
   22    HA   LEU   4           HA       LEU   4   1.359  -3.673  -0.355
   23    HB2  LEU   4          2HB       LEU   4   0.598  -2.479  -2.384
   24    HB3  LEU   4          1HB       LEU   4   1.592  -1.108  -1.940
   25    HG   LEU   4           HG       LEU   4   3.608  -2.537  -2.236
   26   HD11  LEU   4          1HD1      LEU   4   3.382  -4.660  -3.418
   27   HD12  LEU   4          2HD1      LEU   4   1.626  -4.534  -3.314
   28   HD13  LEU   4          3HD1      LEU   4   2.584  -4.710  -1.845
   29   HD21  LEU   4          1HD2      LEU   4   1.762  -2.336  -4.610
   30   HD22  LEU   4          2HD2      LEU   4   3.508  -2.570  -4.680
   31   HD23  LEU   4          3HD2      LEU   4   2.845  -1.076  -4.018
   32    H    PHE   5           H        PHE   5   3.191  -3.954   0.746
   33    HA   PHE   5           HA       PHE   5   4.219  -1.803   2.288
   34    HB2  PHE   5          2HB       PHE   5   5.063  -4.686   2.050
   35    HB3  PHE   5          1HB       PHE   5   5.841  -3.540   3.135
   36    HD1  PHE   5          1HD       PHE   5   4.254  -2.283   4.778
   37    HD2  PHE   5          2HD       PHE   5   3.247  -5.917   2.813
   38    HE1  PHE   5          1HE       PHE   5   2.546  -2.726   6.485
   39    HE2  PHE   5          2HE       PHE   5   1.538  -6.370   4.516
   40    HZ   PHE   5           HZ       PHE   5   1.181  -4.768   6.360
   41    H    SER   6           H        SER   6   5.447  -0.367   1.554
   42    HA   SER   6           HA       SER   6   7.738  -0.915  -0.092
   43    HB2  SER   6          2HB       SER   6   5.465   0.917  -0.965
   44    HB3  SER   6          1HB       SER   6   7.000   0.751  -1.808
   45    HG   SER   6           HG       SER   6   5.934  -1.659  -1.406
   46    H    ASN   7           H        ASN   7   8.364   1.791  -0.600
   47    HA   ASN   7           HA       ASN   7   8.149   3.047   2.036
   48    HB2  ASN   7          2HB       ASN   7  10.634   2.696   0.353
   49    HB3  ASN   7          1HB       ASN   7  10.527   3.915   1.615
   50   HD21  ASN   7          1HD2      ASN   7  10.696   3.286   3.725
   51   HD22  ASN   7          2HD2      ASN   7  11.068   1.671   4.210
   52    HA   PRO   8           HA       PRO   8   6.831   4.313   2.676
   53    HB2  PRO   8          2HB       PRO   8   4.503   5.862   1.942
   54    HB3  PRO   8          1HB       PRO   8   5.711   6.238   3.167
   55    HG2  PRO   8          2HG       PRO   8   5.368   7.678   0.856
   56    HG3  PRO   8          1HG       PRO   8   6.884   7.609   1.765
   57    HD2  PRO   8          2HD       PRO   8   6.078   6.128  -0.700
   58    HD3  PRO   8          1HD       PRO   8   7.646   6.848  -0.279
   59    HA   PRO   9           HA       PRO   9   4.038   1.095   1.358
   60    HB2  PRO   9          2HB       PRO   9   2.072   1.161   3.275
   61    HB3  PRO   9          1HB       PRO   9   3.662   0.439   3.541
   62    HG2  PRO   9          2HG       PRO   9   2.662   3.151   4.303
   63    HG3  PRO   9          1HG       PRO   9   3.638   2.017   5.255
   64    HD2  PRO   9          2HD       PRO   9   4.750   4.121   4.019
   65    HD3  PRO   9          1HD       PRO   9   5.589   2.557   4.120
   66    H    ILE  10           H        ILE  10   2.375   0.938  -0.020
   67    HA   ILE  10           HA       ILE  10   0.880   3.400  -0.557
   68    HB   ILE  10           HB       ILE  10   1.162   0.911  -2.266
   69   HG12  ILE  10          2HG1      ILE  10   2.559   3.583  -2.546
   70   HG13  ILE  10          1HG1      ILE  10   3.311   2.125  -1.914
   71   HG21  ILE  10          1HG2      ILE  10  -0.877   2.180  -2.724
   72   HG22  ILE  10          2HG2      ILE  10   0.261   2.301  -4.064
   73   HG23  ILE  10          3HG2      ILE  10   0.076   3.651  -2.945
   74   HD11  ILE  10          1HD1      ILE  10   2.987   1.027  -4.062
   75   HD12  ILE  10          2HD1      ILE  10   3.919   2.514  -4.231
   76   HD13  ILE  10          3HD1      ILE  10   2.214   2.481  -4.690
   77    H    CYS  11           H        CYS  11  -1.080   3.438   0.405
   78    HA   CYS  11           HA       CYS  11  -2.447   0.890   0.662
   79    HB2  CYS  11          2HB       CYS  11  -2.866   3.485   2.147
   80    HB3  CYS  11          1HB       CYS  11  -3.936   2.094   2.284
   81    H    PHE  12           H        PHE  12  -3.890   0.431  -0.686
   82    HA   PHE  12           HA       PHE  12  -4.826   2.374  -2.550
   83    HB2  PHE  12          2HB       PHE  12  -5.407  -0.581  -2.197
   84    HB3  PHE  12          1HB       PHE  12  -6.035   0.392  -3.521
   85    HD1  PHE  12          1HD       PHE  12  -4.595   1.167  -5.292
   86    HD2  PHE  12          2HD       PHE  12  -3.034  -1.184  -2.109
   87    HE1  PHE  12          1HE       PHE  12  -2.553   0.780  -6.589
   88    HE2  PHE  12          2HE       PHE  12  -0.980  -1.581  -3.408
   89    HZ   PHE  12           HZ       PHE  12  -0.735  -0.595  -5.651
   90    HA   PRO  13           HA       PRO  13  -8.549   3.927  -0.798
   91    HB2  PRO  13          2HB       PRO  13  -9.915   2.622  -3.115
   92    HB3  PRO  13          1HB       PRO  13 -10.129   4.250  -2.458
   93    HG2  PRO  13          2HG       PRO  13  -8.663   3.895  -4.623
   94    HG3  PRO  13          1HG       PRO  13  -8.132   5.023  -3.363
   95    HD2  PRO  13          2HD       PRO  13  -7.080   2.331  -4.058
   96    HD3  PRO  13          1HD       PRO  13  -6.243   3.742  -3.384
   97    H    ASN  14           H        ASN  14  -8.700   0.567  -1.809
   98    HA   ASN  14           HA       ASN  14 -11.036   0.014  -0.194
   99    HB2  ASN  14          2HB       ASN  14 -10.740  -2.354  -0.870
  100    HB3  ASN  14          1HB       ASN  14 -10.859  -1.245  -2.223
  101   HD21  ASN  14          1HD2      ASN  14  -9.857  -2.708  -3.613
  102   HD22  ASN  14          2HD2      ASN  14  -8.164  -3.034  -3.536
  Start of MODEL    8
    1    H1   GLY   1           H        GLY   1  -7.894   0.122   0.579
    2    HA2  GLY   1          2HA       GLY   1  -7.583  -0.193   2.881
    3    HA3  GLY   1          1HA       GLY   1  -8.684  -1.563   2.825
    4    H    LYS   2           H        LYS   2  -6.254  -1.357   0.390
    5    HA   LYS   2           HA       LYS   2  -4.726  -3.395   1.845
    6    HB2  LYS   2          2HB       LYS   2  -5.033  -3.076  -1.145
    7    HB3  LYS   2          1HB       LYS   2  -4.080  -4.307  -0.335
    8    HG2  LYS   2          2HG       LYS   2  -6.116  -5.237   0.648
    9    HG3  LYS   2          1HG       LYS   2  -7.068  -3.997  -0.170
   10    HD2  LYS   2          2HD       LYS   2  -6.245  -4.845  -2.336
   11    HD3  LYS   2          1HD       LYS   2  -5.384  -6.126  -1.481
   12    HE2  LYS   2          2HE       LYS   2  -7.516  -6.936  -0.575
   13    HE3  LYS   2          1HE       LYS   2  -8.359  -5.658  -1.452
   14    HZ1  LYS   2          1HZ       LYS   2  -7.487  -6.617  -3.515
   15    HZ2  LYS   2          2HZ       LYS   2  -8.494  -7.673  -2.708
   16    HZ3  LYS   2          3HZ       LYS   2  -6.820  -7.895  -2.650
   17    H    CYS   3           H        CYS   3  -2.722  -2.866   2.318
   18    HA   CYS   3           HA       CYS   3  -1.512  -0.616   0.892
   19    HB2  CYS   3          2HB       CYS   3  -0.858  -1.716   3.637
   20    HB3  CYS   3          1HB       CYS   3  -0.036  -0.369   2.861
   21    H    LEU   4           H        LEU   4   0.373  -0.839  -0.070
   22    HA   LEU   4           HA       LEU   4   1.504  -3.489  -0.363
   23    HB2  LEU   4          2HB       LEU   4   2.237  -0.840  -1.597
   24    HB3  LEU   4          1HB       LEU   4   3.074  -2.338  -1.934
   25    HG   LEU   4           HG       LEU   4   0.192  -1.879  -2.395
   26   HD11  LEU   4          1HD1      LEU   4   2.534  -1.790  -4.338
   27   HD12  LEU   4          2HD1      LEU   4   1.508  -0.421  -3.897
   28   HD13  LEU   4          3HD1      LEU   4   0.848  -1.755  -4.840
   29   HD21  LEU   4          1HD2      LEU   4   0.345  -3.883  -3.833
   30   HD22  LEU   4          2HD2      LEU   4   0.730  -4.209  -2.144
   31   HD23  LEU   4          3HD2      LEU   4   2.024  -4.068  -3.332
   32    H    PHE   5           H        PHE   5   3.498  -3.994   0.207
   33    HA   PHE   5           HA       PHE   5   4.508  -2.579   2.531
   34    HB2  PHE   5          2HB       PHE   5   5.252  -5.218   1.312
   35    HB3  PHE   5          1HB       PHE   5   6.280  -4.470   2.530
   36    HD1  PHE   5          1HD       PHE   5   5.257  -3.909   4.765
   37    HD2  PHE   5          2HD       PHE   5   3.359  -6.443   1.933
   38    HE1  PHE   5          1HE       PHE   5   3.873  -4.859   6.552
   39    HE2  PHE   5          2HE       PHE   5   1.972  -7.392   3.703
   40    HZ   PHE   5           HZ       PHE   5   2.221  -6.605   6.027
   41    H    SER   6           H        SER   6   4.720  -1.003   0.457
   42    HA   SER   6           HA       SER   6   7.481  -0.942  -0.397
   43    HB2  SER   6          2HB       SER   6   6.573   1.034  -1.694
   44    HB3  SER   6          1HB       SER   6   5.804  -0.506  -2.085
   45    HG   SER   6           HG       SER   6   4.824   1.729  -0.815
   46    H    ASN   7           H        ASN   7   8.248   1.527  -0.257
   47    HA   ASN   7           HA       ASN   7   7.237   2.839   2.097
   48    HB2  ASN   7          2HB       ASN   7   9.498   3.238   3.048
   49    HB3  ASN   7          1HB       ASN   7   9.145   1.527   2.976
   50   HD21  ASN   7          1HD2      ASN   7  11.206   4.058   1.918
   51   HD22  ASN   7          2HD2      ASN   7  12.332   3.075   1.054
   52    HA   PRO   8           HA       PRO   8   6.373   4.828   2.559
   53    HB2  PRO   8          2HB       PRO   8   4.636   6.019   0.476
   54    HB3  PRO   8          1HB       PRO   8   5.009   6.612   2.094
   55    HG2  PRO   8          2HG       PRO   8   6.048   7.789  -0.038
   56    HG3  PRO   8          1HG       PRO   8   7.022   7.552   1.421
   57    HD2  PRO   8          2HD       PRO   8   7.023   5.985  -1.126
   58    HD3  PRO   8          1HD       PRO   8   8.397   6.538  -0.148
   59    HA   PRO   9           HA       PRO   9   3.950   1.219   1.335
   60    HB2  PRO   9          2HB       PRO   9   2.066   1.953   3.476
   61    HB3  PRO   9          1HB       PRO   9   3.067   0.508   3.329
   62    HG2  PRO   9          2HG       PRO   9   3.588   2.400   5.153
   63    HG3  PRO   9          1HG       PRO   9   4.882   1.498   4.345
   64    HD2  PRO   9          2HD       PRO   9   3.880   4.269   3.805
   65    HD3  PRO   9          1HD       PRO   9   5.546   3.648   3.856
   66    H    ILE  10           H        ILE  10   2.716   1.346  -0.391
   67    HA   ILE  10           HA       ILE  10   0.951   3.556  -0.873
   68    HB   ILE  10           HB       ILE  10   1.242   0.979  -2.438
   69   HG12  ILE  10          2HG1      ILE  10   2.594   3.648  -2.897
   70   HG13  ILE  10          1HG1      ILE  10   3.379   2.241  -2.192
   71   HG21  ILE  10          1HG2      ILE  10  -0.820   2.206  -2.945
   72   HG22  ILE  10          2HG2      ILE  10   0.303   2.280  -4.302
   73   HG23  ILE  10          3HG2      ILE  10   0.115   3.675  -3.238
   74   HD11  ILE  10          1HD1      ILE  10   3.033   1.025  -4.291
   75   HD12  ILE  10          2HD1      ILE  10   3.972   2.496  -4.516
   76   HD13  ILE  10          3HD1      ILE  10   2.269   2.459  -4.979
   77    H    CYS  11           H        CYS  11  -0.928   3.651   0.152
   78    HA   CYS  11           HA       CYS  11  -2.344   1.153   0.667
   79    HB2  CYS  11          2HB       CYS  11  -2.556   3.838   2.033
   80    HB3  CYS  11          1HB       CYS  11  -3.633   2.480   2.356
   81    H    PHE  12           H        PHE  12  -3.848   0.684  -0.650
   82    HA   PHE  12           HA       PHE  12  -4.999   2.671  -2.389
   83    HB2  PHE  12          2HB       PHE  12  -5.427  -0.315  -2.131
   84    HB3  PHE  12          1HB       PHE  12  -6.205   0.688  -3.342
   85    HD1  PHE  12          1HD       PHE  12  -3.042  -0.832  -2.262
   86    HD2  PHE  12          2HD       PHE  12  -4.982   1.496  -5.243
   87    HE1  PHE  12          1HE       PHE  12  -1.152  -1.203  -3.786
   88    HE2  PHE  12          2HE       PHE  12  -3.101   1.138  -6.769
   89    HZ   PHE  12           HZ       PHE  12  -1.170  -0.219  -6.042
   90    HA   PRO  13           HA       PRO  13  -8.667   3.561  -0.022
   91    HB2  PRO  13          2HB       PRO  13 -10.539   3.678  -2.039
   92    HB3  PRO  13          1HB       PRO  13  -9.392   4.965  -1.645
   93    HG2  PRO  13          2HG       PRO  13  -9.192   2.852  -3.758
   94    HG3  PRO  13          1HG       PRO  13  -8.843   4.586  -3.877
   95    HD2  PRO  13          2HD       PRO  13  -6.878   2.817  -3.611
   96    HD3  PRO  13          1HD       PRO  13  -6.816   4.376  -2.756
   97    H    ASN  14           H        ASN  14  -8.331   0.664  -1.649
   98    HA   ASN  14           HA       ASN  14 -10.884  -0.423  -0.815
   99    HB2  ASN  14          2HB       ASN  14 -10.029  -2.593  -1.746
  100    HB3  ASN  14          1HB       ASN  14 -10.100  -1.290  -2.918
  101   HD21  ASN  14          1HD2      ASN  14  -8.625  -2.381  -4.200
  102   HD22  ASN  14          2HD2      ASN  14  -6.940  -2.442  -3.819
  Start of MODEL    9
    1    H1   GLY   1           H        GLY   1  -7.886  -0.164   0.270
    2    HA2  GLY   1          2HA       GLY   1  -8.243  -0.446   2.624
    3    HA3  GLY   1          1HA       GLY   1  -9.036  -1.970   2.272
    4    H    LYS   2           H        LYS   2  -6.420  -1.843   0.264
    5    HA   LYS   2           HA       LYS   2  -4.832  -3.298   2.248
    6    HB2  LYS   2          2HB       LYS   2  -4.933  -3.620  -0.742
    7    HB3  LYS   2          1HB       LYS   2  -3.793  -4.451   0.307
    8    HG2  LYS   2          2HG       LYS   2  -5.652  -5.528   1.468
    9    HG3  LYS   2          1HG       LYS   2  -6.787  -4.696   0.406
   10    HD2  LYS   2          2HD       LYS   2  -5.832  -5.812  -1.521
   11    HD3  LYS   2          1HD       LYS   2  -4.641  -6.609  -0.489
   12    HE2  LYS   2          2HE       LYS   2  -6.471  -7.727   0.718
   13    HE3  LYS   2          1HE       LYS   2  -7.636  -6.954  -0.352
   14    HZ1  LYS   2          1HZ       LYS   2  -7.172  -9.187  -1.048
   15    HZ2  LYS   2          2HZ       LYS   2  -5.520  -8.845  -1.168
   16    HZ3  LYS   2          3HZ       LYS   2  -6.612  -8.103  -2.216
   17    H    CYS   3           H        CYS   3  -2.621  -3.011   2.345
   18    HA   CYS   3           HA       CYS   3  -1.685  -0.554   1.062
   19    HB2  CYS   3          2HB       CYS   3  -0.824  -1.745   3.704
   20    HB3  CYS   3          1HB       CYS   3  -0.178  -0.278   2.980
   21    H    LEU   4           H        LEU   4  -0.015  -0.700  -0.192
   22    HA   LEU   4           HA       LEU   4   1.363  -3.234  -0.471
   23    HB2  LEU   4          2HB       LEU   4   0.709  -1.988  -2.484
   24    HB3  LEU   4          1HB       LEU   4   1.669  -0.617  -1.958
   25    HG   LEU   4           HG       LEU   4   3.700  -2.013  -2.159
   26   HD11  LEU   4          1HD1      LEU   4   2.716  -4.204  -1.850
   27   HD12  LEU   4          2HD1      LEU   4   3.570  -4.131  -3.390
   28   HD13  LEU   4          3HD1      LEU   4   1.810  -4.031  -3.353
   29   HD21  LEU   4          1HD2      LEU   4   3.759  -2.026  -4.605
   30   HD22  LEU   4          2HD2      LEU   4   3.051  -0.544  -3.965
   31   HD23  LEU   4          3HD2      LEU   4   2.011  -1.802  -4.642
   32    H    PHE   5           H        PHE   5   3.035  -3.607   0.749
   33    HA   PHE   5           HA       PHE   5   4.214  -1.432   2.194
   34    HB2  PHE   5          2HB       PHE   5   4.666  -4.406   2.446
   35    HB3  PHE   5          1HB       PHE   5   5.365  -3.177   3.499
   36    HD1  PHE   5          1HD       PHE   5   3.821  -1.716   4.847
   37    HD2  PHE   5          2HD       PHE   5   2.496  -5.205   2.812
   38    HE1  PHE   5          1HE       PHE   5   1.787  -1.745   6.221
   39    HE2  PHE   5          2HE       PHE   5   0.478  -5.243   4.164
   40    HZ   PHE   5           HZ       PHE   5   0.106  -3.511   5.890
   41    H    SER   6           H        SER   6   5.545  -0.342   1.196
   42    HA   SER   6           HA       SER   6   7.996  -1.422   0.195
   43    HB2  SER   6          2HB       SER   6   6.275  -1.332  -1.745
   44    HB3  SER   6          1HB       SER   6   6.207   0.405  -1.482
   45    HG   SER   6           HG       SER   6   7.710  -0.733  -3.090
   46    H    ASN   7           H        ASN   7   8.864   1.161  -0.666
   47    HA   ASN   7           HA       ASN   7   8.164   2.766   1.675
   48    HB2  ASN   7          2HB       ASN   7  10.572   2.048   1.641
   49    HB3  ASN   7          1HB       ASN   7  10.773   2.905   0.118
   50   HD21  ASN   7          1HD2      ASN   7  12.122   3.283   2.678
   51   HD22  ASN   7          2HD2      ASN   7  11.868   4.927   3.131
   52    HA   PRO   8           HA       PRO   8   7.036   4.153   2.204
   53    HB2  PRO   8          2HB       PRO   8   4.909   5.716   2.087
   54    HB3  PRO   8          1HB       PRO   8   6.522   6.426   1.967
   55    HG2  PRO   8          2HG       PRO   8   4.523   5.884  -0.183
   56    HG3  PRO   8          1HG       PRO   8   5.609   7.269   0.011
   57    HD2  PRO   8          2HD       PRO   8   6.055   5.045  -1.629
   58    HD3  PRO   8          1HD       PRO   8   7.272   6.232  -1.124
   59    HA   PRO   9           HA       PRO   9   3.708   1.120   1.838
   60    HB2  PRO   9          2HB       PRO   9   2.166   2.397   4.001
   61    HB3  PRO   9          1HB       PRO   9   2.895   0.792   3.962
   62    HG2  PRO   9          2HG       PRO   9   3.878   2.778   5.499
   63    HG3  PRO   9          1HG       PRO   9   4.916   1.545   4.767
   64    HD2  PRO   9          2HD       PRO   9   4.433   4.368   3.928
   65    HD3  PRO   9          1HD       PRO   9   5.942   3.430   3.912
   66    H    ILE  10           H        ILE  10   2.403   1.322   0.159
   67    HA   ILE  10           HA       ILE  10   0.866   3.768  -0.212
   68    HB   ILE  10           HB       ILE  10   1.086   1.395  -2.091
   69   HG12  ILE  10          2HG1      ILE  10   2.683   3.971  -2.097
   70   HG13  ILE  10          1HG1      ILE  10   3.306   2.406  -1.597
   71   HG21  ILE  10          1HG2      ILE  10  -0.838   2.841  -2.502
   72   HG22  ILE  10          2HG2      ILE  10   0.355   3.006  -3.791
   73   HG23  ILE  10          3HG2      ILE  10   0.220   4.252  -2.552
   74   HD11  ILE  10          1HD1      ILE  10   4.015   2.963  -3.846
   75   HD12  ILE  10          2HD1      ILE  10   2.331   3.122  -4.349
   76   HD13  ILE  10          3HD1      ILE  10   2.958   1.552  -3.858
   77    H    CYS  11           H        CYS  11  -1.033   3.718   0.843
   78    HA   CYS  11           HA       CYS  11  -2.459   1.181   0.986
   79    HB2  CYS  11          2HB       CYS  11  -2.895   3.751   2.502
   80    HB3  CYS  11          1HB       CYS  11  -3.894   2.309   2.669
   81    H    PHE  12           H        PHE  12  -3.877   0.752  -0.424
   82    HA   PHE  12           HA       PHE  12  -4.915   2.860  -2.105
   83    HB2  PHE  12          2HB       PHE  12  -5.287  -0.147  -2.207
   84    HB3  PHE  12          1HB       PHE  12  -5.837   0.993  -3.425
   85    HD1  PHE  12          1HD       PHE  12  -4.130   2.286  -4.740
   86    HD2  PHE  12          2HD       PHE  12  -3.077  -0.981  -2.215
   87    HE1  PHE  12          1HE       PHE  12  -1.985   2.061  -5.923
   88    HE2  PHE  12          2HE       PHE  12  -0.938  -1.206  -3.397
   89    HZ   PHE  12           HZ       PHE  12  -0.384   0.315  -5.252
   90    HA   PRO  13           HA       PRO  13  -8.736   3.300   0.075
   91    HB2  PRO  13          2HB       PRO  13 -10.500   3.568  -2.019
   92    HB3  PRO  13          1HB       PRO  13  -9.484   4.870  -1.402
   93    HG2  PRO  13          2HG       PRO  13  -9.041   3.075  -3.752
   94    HG3  PRO  13          1HG       PRO  13  -8.757   4.820  -3.607
   95    HD2  PRO  13          2HD       PRO  13  -6.739   3.081  -3.475
   96    HD3  PRO  13          1HD       PRO  13  -6.770   4.523  -2.440
   97    H    ASN  14           H        ASN  14  -8.248   0.709  -2.081
   98    HA   ASN  14           HA       ASN  14 -10.694  -0.661  -1.593
   99    HB2  ASN  14          2HB       ASN  14  -9.593  -2.704  -2.491
  100    HB3  ASN  14          1HB       ASN  14  -9.397  -1.321  -3.551
  101   HD21  ASN  14          1HD2      ASN  14  -7.667  -2.391  -4.545
  102   HD22  ASN  14          2HD2      ASN  14  -6.106  -2.499  -3.816
  Start of MODEL   10
    1    H1   GLY   1           H        GLY   1  -8.010  -0.202   0.522
    2    HA2  GLY   1          2HA       GLY   1  -8.163  -0.466   2.874
    3    HA3  GLY   1          1HA       GLY   1  -9.092  -1.936   2.607
    4    H    LYS   2           H        LYS   2  -6.330  -1.576   0.637
    5    HA   LYS   2           HA       LYS   2  -4.752  -3.171   2.508
    6    HB2  LYS   2          2HB       LYS   2  -5.680  -4.700   0.805
    7    HB3  LYS   2          1HB       LYS   2  -4.990  -3.696  -0.468
    8    HG2  LYS   2          2HG       LYS   2  -2.735  -4.115   0.543
    9    HG3  LYS   2          1HG       LYS   2  -3.509  -5.270   1.616
   10    HD2  LYS   2          2HD       LYS   2  -4.183  -6.625  -0.273
   11    HD3  LYS   2          1HD       LYS   2  -3.521  -5.428  -1.392
   12    HE2  LYS   2          2HE       LYS   2  -1.961  -7.044   0.629
   13    HE3  LYS   2          1HE       LYS   2  -1.961  -7.280  -1.114
   14    HZ1  LYS   2          1HZ       LYS   2  -0.933  -4.842   0.295
   15    HZ2  LYS   2          2HZ       LYS   2  -0.997  -5.057  -1.367
   16    HZ3  LYS   2          3HZ       LYS   2  -0.005  -6.046  -0.433
   17    H    CYS   3           H        CYS   3  -2.683  -2.562   2.664
   18    HA   CYS   3           HA       CYS   3  -1.851  -0.379   0.930
   19    HB2  CYS   3          2HB       CYS   3  -0.629  -1.323   3.536
   20    HB3  CYS   3          1HB       CYS   3  -0.139   0.093   2.615
   21    H    LEU   4           H        LEU   4  -0.108  -0.509  -0.293
   22    HA   LEU   4           HA       LEU   4   1.105  -3.108  -0.637
   23    HB2  LEU   4          2HB       LEU   4   0.474  -1.915  -2.641
   24    HB3  LEU   4          1HB       LEU   4   1.379  -0.500  -2.135
   25    HG   LEU   4           HG       LEU   4   3.462  -1.798  -2.341
   26   HD11  LEU   4          1HD1      LEU   4   1.668  -3.932  -3.494
   27   HD12  LEU   4          2HD1      LEU   4   2.593  -4.036  -1.994
   28   HD13  LEU   4          3HD1      LEU   4   3.431  -3.938  -3.540
   29   HD21  LEU   4          1HD2      LEU   4   3.508  -1.847  -4.763
   30   HD22  LEU   4          2HD2      LEU   4   2.707  -0.399  -4.136
   31   HD23  LEU   4          3HD2      LEU   4   1.743  -1.732  -4.794
   32    H    PHE   5           H        PHE   5   2.634  -3.502   0.671
   33    HA   PHE   5           HA       PHE   5   3.926  -1.422   2.122
   34    HB2  PHE   5          2HB       PHE   5   4.332  -4.408   2.204
   35    HB3  PHE   5          1HB       PHE   5   5.143  -3.267   3.272
   36    HD1  PHE   5          1HD       PHE   5   2.325  -5.355   2.898
   37    HD2  PHE   5          2HD       PHE   5   3.562  -1.650   4.591
   38    HE1  PHE   5          1HE       PHE   5   0.401  -5.411   4.418
   39    HE2  PHE   5          2HE       PHE   5   1.636  -1.705   6.115
   40    HZ   PHE   5           HZ       PHE   5   0.054  -3.586   6.033
   41    H    SER   6           H        SER   6   5.459  -0.340   1.465
   42    HA   SER   6           HA       SER   6   7.678  -1.359  -0.019
   43    HB2  SER   6          2HB       SER   6   5.913  -0.863  -1.749
   44    HB3  SER   6          1HB       SER   6   5.763   0.763  -1.100
   45    HG   SER   6           HG       SER   6   7.746  -0.392  -2.662
   46    H    ASN   7           H        ASN   7   8.616   1.204  -0.604
   47    HA   ASN   7           HA       ASN   7   8.446   2.626   1.957
   48    HB2  ASN   7          2HB       ASN   7  10.679   1.699   1.782
   49    HB3  ASN   7          1HB       ASN   7  10.863   2.340   0.155
   50   HD21  ASN   7          1HD2      ASN   7  10.887   3.109   3.547
   51   HD22  ASN   7          2HD2      ASN   7  11.530   4.702   3.376
   52    HA   PRO   8           HA       PRO   8   7.112   3.823   2.555
   53    HB2  PRO   8          2HB       PRO   8   4.929   5.614   1.927
   54    HB3  PRO   8          1HB       PRO   8   6.214   5.845   3.111
   55    HG2  PRO   8          2HG       PRO   8   5.966   7.372   0.880
   56    HG3  PRO   8          1HG       PRO   8   7.527   7.032   1.649
   57    HD2  PRO   8          2HD       PRO   8   6.254   5.683  -0.712
   58    HD3  PRO   8          1HD       PRO   8   7.923   6.277  -0.527
   59    HA   PRO   9           HA       PRO   9   3.828   0.996   1.295
   60    HB2  PRO   9          2HB       PRO   9   2.280   1.866   3.672
   61    HB3  PRO   9          1HB       PRO   9   2.828   0.246   3.230
   62    HG2  PRO   9          2HG       PRO   9   4.005   1.566   5.213
   63    HG3  PRO   9          1HG       PRO   9   4.962   0.600   4.075
   64    HD2  PRO   9          2HD       PRO   9   4.560   3.572   4.154
   65    HD3  PRO   9          1HD       PRO   9   6.050   2.642   3.881
   66    H    ILE  10           H        ILE  10   2.508   1.460  -0.289
   67    HA   ILE  10           HA       ILE  10   1.024   3.962  -0.367
   68    HB   ILE  10           HB       ILE  10   1.113   1.724  -2.423
   69   HG12  ILE  10          2HG1      ILE  10   2.718   4.294  -2.364
   70   HG13  ILE  10          1HG1      ILE  10   3.362   2.700  -1.991
   71   HG21  ILE  10          1HG2      ILE  10  -0.820   3.191  -2.650
   72   HG22  ILE  10          2HG2      ILE  10   0.309   3.436  -3.981
   73   HG23  ILE  10          3HG2      ILE  10   0.234   4.609  -2.662
   74   HD11  ILE  10          1HD1      ILE  10   2.886   1.981  -4.281
   75   HD12  ILE  10          2HD1      ILE  10   3.948   3.388  -4.249
   76   HD13  ILE  10          3HD1      ILE  10   2.239   3.579  -4.645
   77    H    CYS  11           H        CYS  11  -0.894   3.951   0.642
   78    HA   CYS  11           HA       CYS  11  -2.303   1.435   0.897
   79    HB2  CYS  11          2HB       CYS  11  -2.708   4.090   2.253
   80    HB3  CYS  11          1HB       CYS  11  -3.725   2.676   2.518
   81    H    PHE  12           H        PHE  12  -3.786   0.874  -0.458
   82    HA   PHE  12           HA       PHE  12  -4.942   2.880  -2.197
   83    HB2  PHE  12          2HB       PHE  12  -4.993  -0.148  -2.281
   84    HB3  PHE  12          1HB       PHE  12  -5.773   0.887  -3.467
   85    HD1  PHE  12          1HD       PHE  12  -4.400   2.301  -4.963
   86    HD2  PHE  12          2HD       PHE  12  -2.662  -0.559  -2.342
   87    HE1  PHE  12          1HE       PHE  12  -2.320   2.386  -6.256
   88    HE2  PHE  12          2HE       PHE  12  -0.575  -0.479  -3.640
   89    HZ   PHE  12           HZ       PHE  12  -0.403   0.999  -5.600
   90    HA   PRO  13           HA       PRO  13  -8.798   3.085  -0.116
   91    HB2  PRO  13          2HB       PRO  13 -10.573   3.247  -2.197
   92    HB3  PRO  13          1HB       PRO  13  -9.558   4.586  -1.650
   93    HG2  PRO  13          2HG       PRO  13  -9.137   2.703  -3.932
   94    HG3  PRO  13          1HG       PRO  13  -8.885   4.454  -3.866
   95    HD2  PRO  13          2HD       PRO  13  -6.841   2.728  -3.688
   96    HD3  PRO  13          1HD       PRO  13  -6.854   4.248  -2.777
   97    H    ASN  14           H        ASN  14  -8.029   0.305  -1.782
   98    HA   ASN  14           HA       ASN  14 -10.572  -1.031  -1.466
   99    HB2  ASN  14          2HB       ASN  14  -9.447  -3.061  -2.193
  100    HB3  ASN  14          1HB       ASN  14  -9.016  -1.754  -3.275
  101   HD21  ASN  14          1HD2      ASN  14  -7.672  -4.250  -2.790
  102   HD22  ASN  14          2HD2      ASN  14  -6.066  -3.880  -2.295
  Start of MODEL   11
    1    H1   GLY   1           H        GLY   1  -7.747   0.120   0.371
    2    HA2  GLY   1          2HA       GLY   1  -7.852   0.251   2.770
    3    HA3  GLY   1          1HA       GLY   1  -8.701  -1.284   2.776
    4    H    LYS   2           H        LYS   2  -6.625  -2.132   0.652
    5    HA   LYS   2           HA       LYS   2  -4.807  -3.150   2.640
    6    HB2  LYS   2          2HB       LYS   2  -5.378  -3.902  -0.202
    7    HB3  LYS   2          1HB       LYS   2  -3.868  -4.408   0.534
    8    HG2  LYS   2          2HG       LYS   2  -5.564  -6.168   0.668
    9    HG3  LYS   2          1HG       LYS   2  -5.079  -5.611   2.262
   10    HD2  LYS   2          2HD       LYS   2  -7.127  -4.221   2.357
   11    HD3  LYS   2          1HD       LYS   2  -7.613  -4.875   0.792
   12    HE2  LYS   2          2HE       LYS   2  -7.717  -7.106   1.701
   13    HE3  LYS   2          1HE       LYS   2  -7.069  -6.548   3.241
   14    HZ1  LYS   2          1HZ       LYS   2  -9.069  -5.219   3.544
   15    HZ2  LYS   2          2HZ       LYS   2  -9.432  -6.849   3.349
   16    HZ3  LYS   2          3HZ       LYS   2  -9.708  -5.793   2.084
   17    H    CYS   3           H        CYS   3  -2.579  -3.022   2.536
   18    HA   CYS   3           HA       CYS   3  -1.650  -0.625   1.121
   19    HB2  CYS   3          2HB       CYS   3  -0.588  -1.783   3.703
   20    HB3  CYS   3          1HB       CYS   3  -0.025  -0.313   2.919
   21    H    LEU   4           H        LEU   4   0.152  -0.635  -0.003
   22    HA   LEU   4           HA       LEU   4   1.307  -3.166  -0.793
   23    HB2  LEU   4          2HB       LEU   4   0.721  -1.400  -2.421
   24    HB3  LEU   4          1HB       LEU   4   1.847  -0.320  -1.632
   25    HG   LEU   4           HG       LEU   4   3.696  -1.823  -2.282
   26   HD11  LEU   4          1HD1      LEU   4   3.292  -3.511  -4.014
   27   HD12  LEU   4          2HD1      LEU   4   1.556  -3.243  -3.861
   28   HD13  LEU   4          3HD1      LEU   4   2.471  -3.905  -2.506
   29   HD21  LEU   4          1HD2      LEU   4   3.695  -1.197  -4.654
   30   HD22  LEU   4          2HD2      LEU   4   3.189   0.128  -3.609
   31   HD23  LEU   4          3HD2      LEU   4   1.986  -0.774  -4.532
   32    H    PHE   5           H        PHE   5   3.205  -3.903   0.037
   33    HA   PHE   5           HA       PHE   5   4.496  -2.238   1.995
   34    HB2  PHE   5          2HB       PHE   5   5.045  -5.121   1.284
   35    HB3  PHE   5          1HB       PHE   5   5.809  -4.236   2.599
   36    HD1  PHE   5          1HD       PHE   5   3.912  -2.952   4.117
   37    HD2  PHE   5          2HD       PHE   5   3.409  -6.574   1.934
   38    HE1  PHE   5          1HE       PHE   5   2.086  -3.603   5.623
   39    HE2  PHE   5          2HE       PHE   5   1.584  -7.224   3.440
   40    HZ   PHE   5           HZ       PHE   5   0.917  -5.739   5.286
   41    H    SER   6           H        SER   6   5.202  -0.765   0.542
   42    HA   SER   6           HA       SER   6   7.973  -1.118  -0.097
   43    HB2  SER   6          2HB       SER   6   5.991  -0.192  -2.225
   44    HB3  SER   6          1HB       SER   6   7.750  -0.212  -2.382
   45    HG   SER   6           HG       SER   6   6.901  -2.595  -1.606
   46    H    ASN   7           H        ASN   7   8.653   0.504   1.120
   47    HA   ASN   7           HA       ASN   7   6.930   2.585   1.939
   48    HB2  ASN   7          2HB       ASN   7   9.878   2.170   2.401
   49    HB3  ASN   7          1HB       ASN   7   9.038   3.605   2.967
   50   HD21  ASN   7          1HD2      ASN   7   9.411   3.128   5.101
   51   HD22  ASN   7          2HD2      ASN   7   8.633   1.854   5.938
   52    HA   PRO   8           HA       PRO   8   6.655   4.571   2.638
   53    HB2  PRO   8          2HB       PRO   8   4.946   6.404   1.105
   54    HB3  PRO   8          1HB       PRO   8   5.919   6.750   2.535
   55    HG2  PRO   8          2HG       PRO   8   6.578   7.733   0.126
   56    HG3  PRO   8          1HG       PRO   8   7.815   7.237   1.295
   57    HD2  PRO   8          2HD       PRO   8   6.732   5.728  -1.064
   58    HD3  PRO   8          1HD       PRO   8   8.425   5.990  -0.591
   59    HA   PRO   9           HA       PRO   9   3.775   1.434   1.444
   60    HB2  PRO   9          2HB       PRO   9   2.039   1.675   3.608
   61    HB3  PRO   9          1HB       PRO   9   3.505   0.695   3.572
   62    HG2  PRO   9          2HG       PRO   9   3.063   3.403   4.725
   63    HG3  PRO   9          1HG       PRO   9   4.101   2.092   5.306
   64    HD2  PRO   9          2HD       PRO   9   5.067   4.264   4.039
   65    HD3  PRO   9          1HD       PRO   9   5.823   2.665   3.882
   66    H    ILE  10           H        ILE  10   2.497   1.741  -0.165
   67    HA   ILE  10           HA       ILE  10   0.633   3.934  -0.319
   68    HB   ILE  10           HB       ILE  10   1.040   1.599  -2.229
   69   HG12  ILE  10          2HG1      ILE  10   2.089   4.432  -2.388
   70   HG13  ILE  10          1HG1      ILE  10   3.060   3.015  -1.992
   71   HG21  ILE  10          1HG2      ILE  10  -1.151   2.585  -2.468
   72   HG22  ILE  10          2HG2      ILE  10  -0.133   2.959  -3.860
   73   HG23  ILE  10          3HG2      ILE  10  -0.430   4.191  -2.629
   74   HD11  ILE  10          1HD1      ILE  10   2.600   2.110  -4.228
   75   HD12  ILE  10          2HD1      ILE  10   3.386   3.686  -4.303
   76   HD13  ILE  10          3HD1      ILE  10   1.653   3.548  -4.603
   77    H    CYS  11           H        CYS  11  -1.165   3.706   0.869
   78    HA   CYS  11           HA       CYS  11  -2.391   1.085   0.956
   79    HB2  CYS  11          2HB       CYS  11  -3.013   3.587   2.538
   80    HB3  CYS  11          1HB       CYS  11  -3.849   2.044   2.719
   81    H    PHE  12           H        PHE  12  -3.700   0.587  -0.486
   82    HA   PHE  12           HA       PHE  12  -4.648   2.438  -2.424
   83    HB2  PHE  12          2HB       PHE  12  -5.434  -0.449  -2.013
   84    HB3  PHE  12          1HB       PHE  12  -5.606   0.492  -3.479
   85    HD1  PHE  12          1HD       PHE  12  -3.248   1.462  -4.381
   86    HD2  PHE  12          2HD       PHE  12  -3.733  -1.960  -1.894
   87    HE1  PHE  12          1HE       PHE  12  -1.109   0.565  -5.187
   88    HE2  PHE  12          2HE       PHE  12  -1.595  -2.846  -2.691
   89    HZ   PHE  12           HZ       PHE  12  -0.279  -1.584  -4.347
   90    HA   PRO  13           HA       PRO  13  -8.675   3.516  -0.801
   91    HB2  PRO  13          2HB       PRO  13  -9.847   2.609  -3.382
   92    HB3  PRO  13          1HB       PRO  13 -10.005   4.165  -2.564
   93    HG2  PRO  13          2HG       PRO  13  -8.442   3.919  -4.693
   94    HG3  PRO  13          1HG       PRO  13  -7.944   4.921  -3.316
   95    HD2  PRO  13          2HD       PRO  13  -7.020   2.193  -4.114
   96    HD3  PRO  13          1HD       PRO  13  -6.099   3.550  -3.437
   97    H    ASN  14           H        ASN  14  -8.235   0.353  -2.165
   98    HA   ASN  14           HA       ASN  14 -10.667  -0.730  -1.135
   99    HB2  ASN  14          2HB       ASN  14  -9.706  -2.976  -1.628
  100    HB3  ASN  14          1HB       ASN  14  -9.673  -1.891  -3.008
  101   HD21  ASN  14          1HD2      ASN  14  -7.726  -1.309  -3.868
  102   HD22  ASN  14          2HD2      ASN  14  -6.230  -1.986  -3.384
  Start of MODEL   12
    1    H1   GLY   1           H        GLY   1  -8.478  -0.330   0.638
    2    HA2  GLY   1          2HA       GLY   1  -7.969  -1.745   2.397
    3    HA3  GLY   1          1HA       GLY   1  -9.003  -2.968   1.671
    4    H    LYS   2           H        LYS   2  -6.058  -1.255   0.692
    5    HA   LYS   2           HA       LYS   2  -4.617  -3.762   0.552
    6    HB2  LYS   2          2HB       LYS   2  -5.741  -3.539  -1.680
    7    HB3  LYS   2          1HB       LYS   2  -4.962  -1.986  -1.882
    8    HG2  LYS   2          2HG       LYS   2  -3.765  -3.627  -3.160
    9    HG3  LYS   2          1HG       LYS   2  -2.758  -3.102  -1.813
   10    HD2  LYS   2          2HD       LYS   2  -2.573  -5.497  -2.055
   11    HD3  LYS   2          1HD       LYS   2  -3.447  -5.146  -0.568
   12    HE2  LYS   2          2HE       LYS   2  -5.576  -5.564  -1.766
   13    HE3  LYS   2          1HE       LYS   2  -4.652  -5.975  -3.209
   14    HZ1  LYS   2          1HZ       LYS   2  -4.588  -7.399  -0.609
   15    HZ2  LYS   2          2HZ       LYS   2  -3.616  -7.779  -1.922
   16    HZ3  LYS   2          3HZ       LYS   2  -5.280  -7.972  -2.031
   17    H    CYS   3           H        CYS   3  -2.523  -3.361   1.155
   18    HA   CYS   3           HA       CYS   3  -1.589  -0.598   0.941
   19    HB2  CYS   3          2HB       CYS   3  -1.345  -2.427   3.325
   20    HB3  CYS   3          1HB       CYS   3  -0.360  -0.989   3.107
   21    H    LEU   4           H        LEU   4   0.432  -0.331   0.315
   22    HA   LEU   4           HA       LEU   4   2.004  -2.693  -0.256
   23    HB2  LEU   4          2HB       LEU   4   2.468   0.232  -0.812
   24    HB3  LEU   4          1HB       LEU   4   3.661  -1.006  -1.149
   25    HG   LEU   4           HG       LEU   4   0.915  -0.981  -2.305
   26   HD11  LEU   4          1HD1      LEU   4   2.243   0.991  -3.069
   27   HD12  LEU   4          2HD1      LEU   4   2.003  -0.160  -4.385
   28   HD13  LEU   4          3HD1      LEU   4   3.546  -0.102  -3.535
   29   HD21  LEU   4          1HD2      LEU   4   3.393  -2.527  -3.038
   30   HD22  LEU   4          2HD2      LEU   4   1.874  -2.572  -3.926
   31   HD23  LEU   4          3HD2      LEU   4   1.943  -3.173  -2.272
   32    H    PHE   5           H        PHE   5   3.751  -3.168   0.750
   33    HA   PHE   5           HA       PHE   5   4.185  -1.740   3.282
   34    HB2  PHE   5          2HB       PHE   5   4.772  -4.652   2.674
   35    HB3  PHE   5          1HB       PHE   5   5.124  -3.855   4.208
   36    HD1  PHE   5          1HD       PHE   5   3.022  -2.536   5.197
   37    HD2  PHE   5          2HD       PHE   5   2.800  -5.867   2.578
   38    HE1  PHE   5          1HE       PHE   5   0.738  -2.985   5.979
   39    HE2  PHE   5          2HE       PHE   5   0.512  -6.325   3.351
   40    HZ   PHE   5           HZ       PHE   5  -0.525  -4.883   5.053
   41    H    SER   6           H        SER   6   5.366  -1.912   0.384
   42    HA   SER   6           HA       SER   6   8.157  -1.638   1.039
   43    HB2  SER   6          2HB       SER   6   8.139  -1.146  -1.507
   44    HB3  SER   6          1HB       SER   6   7.744  -2.791  -0.995
   45    HG   SER   6           HG       SER   6   6.020  -0.741  -1.896
   46    H    ASN   7           H        ASN   7   9.159   0.446   0.819
   47    HA   ASN   7           HA       ASN   7   7.317   2.601   1.359
   48    HB2  ASN   7          2HB       ASN   7  10.328   2.440   1.481
   49    HB3  ASN   7          1HB       ASN   7   9.468   3.959   1.672
   50   HD21  ASN   7          1HD2      ASN   7  10.224   4.195   3.776
   51   HD22  ASN   7          2HD2      ASN   7   9.576   3.268   5.072
   52    HA   PRO   8           HA       PRO   8   7.009   4.738   1.290
   53    HB2  PRO   8          2HB       PRO   8   5.097   5.933  -0.583
   54    HB3  PRO   8          1HB       PRO   8   6.205   6.736   0.529
   55    HG2  PRO   8          2HG       PRO   8   6.550   6.801  -2.146
   56    HG3  PRO   8          1HG       PRO   8   7.909   6.811  -1.009
   57    HD2  PRO   8          2HD       PRO   8   6.787   4.525  -2.592
   58    HD3  PRO   8          1HD       PRO   8   8.482   4.969  -2.307
   59    HA   PRO   9           HA       PRO   9   3.840   1.565   1.350
   60    HB2  PRO   9          2HB       PRO   9   2.833   2.826   3.806
   61    HB3  PRO   9          1HB       PRO   9   3.545   1.225   3.580
   62    HG2  PRO   9          2HG       PRO   9   4.844   3.189   4.879
   63    HG3  PRO   9          1HG       PRO   9   5.692   1.983   3.895
   64    HD2  PRO   9          2HD       PRO   9   4.966   4.807   3.225
   65    HD3  PRO   9          1HD       PRO   9   6.467   3.903   2.914
   66    H    ILE  10           H        ILE  10   2.428   2.009  -0.232
   67    HA   ILE  10           HA       ILE  10   0.562   4.213   0.047
   68    HB   ILE  10           HB       ILE  10   0.806   2.188  -2.202
   69   HG12  ILE  10          2HG1      ILE  10   2.812   3.644  -1.990
   70   HG13  ILE  10          1HG1      ILE  10   1.921   3.941  -3.478
   71   HG21  ILE  10          1HG2      ILE  10  -0.577   3.750  -3.491
   72   HG22  ILE  10          2HG2      ILE  10  -0.741   4.770  -2.063
   73   HG23  ILE  10          3HG2      ILE  10  -1.424   3.142  -2.067
   74   HD11  ILE  10          1HD1      ILE  10   1.847   5.631  -0.987
   75   HD12  ILE  10          2HD1      ILE  10   0.893   5.897  -2.444
   76   HD13  ILE  10          3HD1      ILE  10   2.656   6.028  -2.512
   77    H    CYS  11           H        CYS  11  -1.206   3.865   1.188
   78    HA   CYS  11           HA       CYS  11  -2.448   1.244   1.019
   79    HB2  CYS  11          2HB       CYS  11  -2.744   3.452   3.052
   80    HB3  CYS  11          1HB       CYS  11  -3.890   2.117   2.945
   81    H    PHE  12           H        PHE  12  -4.039   0.972  -0.193
   82    HA   PHE  12           HA       PHE  12  -5.231   3.218  -1.583
   83    HB2  PHE  12          2HB       PHE  12  -5.518   0.232  -2.003
   84    HB3  PHE  12          1HB       PHE  12  -6.100   1.485  -3.085
   85    HD1  PHE  12          1HD       PHE  12  -4.456   2.844  -4.400
   86    HD2  PHE  12          2HD       PHE  12  -3.233  -0.483  -2.033
   87    HE1  PHE  12          1HE       PHE  12  -2.351   2.733  -5.640
   88    HE2  PHE  12          2HE       PHE  12  -1.123  -0.585  -3.275
   89    HZ   PHE  12           HZ       PHE  12  -0.678   1.024  -5.082
   90    HA   PRO  13           HA       PRO  13  -8.892   3.120   0.857
   91    HB2  PRO  13          2HB       PRO  13 -10.729   4.093  -0.870
   92    HB3  PRO  13          1HB       PRO  13  -9.431   5.089  -0.204
   93    HG2  PRO  13          2HG       PRO  13  -9.616   3.766  -2.874
   94    HG3  PRO  13          1HG       PRO  13  -9.046   5.394  -2.470
   95    HD2  PRO  13          2HD       PRO  13  -7.378   3.294  -2.945
   96    HD3  PRO  13          1HD       PRO  13  -6.955   4.646  -1.877
   97    H    ASN  14           H        ASN  14  -8.341   0.849  -1.289
   98    HA   ASN  14           HA       ASN  14 -11.013  -0.365  -1.236
   99    HB2  ASN  14          2HB       ASN  14 -10.168  -1.846  -3.064
  100    HB3  ASN  14          1HB       ASN  14 -10.205  -0.148  -3.500
  101   HD21  ASN  14          1HD2      ASN  14  -8.707  -0.368  -5.097
  102   HD22  ASN  14          2HD2      ASN  14  -7.039  -0.666  -4.804
  Start of MODEL   13
    1    H1   GLY   1           H        GLY   1  -8.150  -0.144   0.476
    2    HA2  GLY   1          2HA       GLY   1  -7.727  -0.808   2.684
    3    HA3  GLY   1          1HA       GLY   1  -8.528  -2.339   2.360
    4    H    LYS   2           H        LYS   2  -6.406  -1.500  -0.053
    5    HA   LYS   2           HA       LYS   2  -4.550  -3.569   0.807
    6    HB2  LYS   2          2HB       LYS   2  -5.463  -3.612  -1.489
    7    HB3  LYS   2          1HB       LYS   2  -4.711  -2.055  -1.798
    8    HG2  LYS   2          2HG       LYS   2  -2.509  -3.106  -1.289
    9    HG3  LYS   2          1HG       LYS   2  -3.338  -4.660  -1.222
   10    HD2  LYS   2          2HD       LYS   2  -4.127  -4.275  -3.546
   11    HD3  LYS   2          1HD       LYS   2  -3.155  -2.801  -3.587
   12    HE2  LYS   2          2HE       LYS   2  -1.874  -4.538  -4.618
   13    HE3  LYS   2          1HE       LYS   2  -1.160  -4.191  -3.048
   14    HZ1  LYS   2          1HZ       LYS   2  -1.289  -6.549  -3.342
   15    HZ2  LYS   2          2HZ       LYS   2  -2.916  -6.467  -3.735
   16    HZ3  LYS   2          3HZ       LYS   2  -2.439  -6.144  -2.167
   17    H    CYS   3           H        CYS   3  -2.816  -2.939   1.927
   18    HA   CYS   3           HA       CYS   3  -1.661  -0.352   1.243
   19    HB2  CYS   3          2HB       CYS   3  -1.436  -1.951   3.800
   20    HB3  CYS   3          1HB       CYS   3  -0.550  -0.463   3.472
   21    H    LEU   4           H        LEU   4   0.404  -0.215   0.676
   22    HA   LEU   4           HA       LEU   4   1.628  -2.659  -0.271
   23    HB2  LEU   4          2HB       LEU   4   2.390   0.219  -0.603
   24    HB3  LEU   4          1HB       LEU   4   3.292  -1.111  -1.291
   25    HG   LEU   4           HG       LEU   4   0.451  -0.463  -1.866
   26   HD11  LEU   4          1HD1      LEU   4   1.332   0.305  -4.075
   27   HD12  LEU   4          2HD1      LEU   4   2.969   0.014  -3.488
   28   HD13  LEU   4          3HD1      LEU   4   1.969   1.259  -2.736
   29   HD21  LEU   4          1HD2      LEU   4   0.906  -2.824  -2.197
   30   HD22  LEU   4          2HD2      LEU   4   2.313  -2.434  -3.191
   31   HD23  LEU   4          3HD2      LEU   4   0.697  -2.034  -3.757
   32    H    PHE   5           H        PHE   5   3.532  -3.350   0.221
   33    HA   PHE   5           HA       PHE   5   4.534  -2.551   2.852
   34    HB2  PHE   5          2HB       PHE   5   5.031  -5.055   1.243
   35    HB3  PHE   5          1HB       PHE   5   5.885  -4.688   2.739
   36    HD1  PHE   5          1HD       PHE   5   2.692  -5.677   1.263
   37    HD2  PHE   5          2HD       PHE   5   4.739  -4.720   4.868
   38    HE1  PHE   5          1HE       PHE   5   0.850  -6.632   2.562
   39    HE2  PHE   5          2HE       PHE   5   2.903  -5.676   6.170
   40    HZ   PHE   5           HZ       PHE   5   0.947  -6.639   5.019
   41    H    SER   6           H        SER   6   5.194  -2.010  -0.323
   42    HA   SER   6           HA       SER   6   8.033  -1.655  -0.059
   43    HB2  SER   6          2HB       SER   6   6.081  -0.664  -2.144
   44    HB3  SER   6          1HB       SER   6   7.838  -0.613  -2.280
   45    HG   SER   6           HG       SER   6   6.563  -3.030  -1.709
   46    H    ASN   7           H        ASN   7   9.007   0.201   0.594
   47    HA   ASN   7           HA       ASN   7   7.302   2.275   1.694
   48    HB2  ASN   7          2HB       ASN   7   9.341   1.285   2.876
   49    HB3  ASN   7          1HB       ASN   7  10.327   2.139   1.699
   50   HD21  ASN   7          1HD2      ASN   7   8.296   2.418   4.468
   51   HD22  ASN   7          2HD2      ASN   7   8.631   4.069   4.821
   52    HA   PRO   8           HA       PRO   8   7.106   4.486   2.004
   53    HB2  PRO   8          2HB       PRO   8   5.422   6.124   0.248
   54    HB3  PRO   8          1HB       PRO   8   6.474   6.640   1.569
   55    HG2  PRO   8          2HG       PRO   8   7.056   7.170  -1.010
   56    HG3  PRO   8          1HG       PRO   8   8.316   6.841   0.197
   57    HD2  PRO   8          2HD       PRO   8   7.123   4.986  -1.836
   58    HD3  PRO   8          1HD       PRO   8   8.834   5.251  -1.428
   59    HA   PRO   9           HA       PRO   9   3.738   1.615   1.204
   60    HB2  PRO   9          2HB       PRO   9   2.605   2.326   3.795
   61    HB3  PRO   9          1HB       PRO   9   3.378   0.817   3.303
   62    HG2  PRO   9          2HG       PRO   9   4.519   2.512   5.071
   63    HG3  PRO   9          1HG       PRO   9   5.466   1.521   3.947
   64    HD2  PRO   9          2HD       PRO   9   4.706   4.412   3.740
   65    HD3  PRO   9          1HD       PRO   9   6.273   3.618   3.441
   66    H    ILE  10           H        ILE  10   2.197   2.267  -0.212
   67    HA   ILE  10           HA       ILE  10   0.439   4.464   0.561
   68    HB   ILE  10           HB       ILE  10   0.436   2.944  -2.089
   69   HG12  ILE  10          2HG1      ILE  10   1.199   5.260  -2.990
   70   HG13  ILE  10          1HG1      ILE  10   1.737   5.543  -1.340
   71   HG21  ILE  10          1HG2      ILE  10  -1.737   3.872  -1.591
   72   HG22  ILE  10          2HG2      ILE  10  -0.995   4.737  -2.937
   73   HG23  ILE  10          3HG2      ILE  10  -1.022   5.464  -1.330
   74   HD11  ILE  10          1HD1      ILE  10   3.140   3.559  -1.484
   75   HD12  ILE  10          2HD1      ILE  10   3.538   4.779  -2.698
   76   HD13  ILE  10          3HD1      ILE  10   2.615   3.339  -3.156
   77    H    CYS  11           H        CYS  11  -1.605   4.137   1.111
   78    HA   CYS  11           HA       CYS  11  -2.608   1.406   1.014
   79    HB2  CYS  11          2HB       CYS  11  -3.323   3.725   2.814
   80    HB3  CYS  11          1HB       CYS  11  -4.274   2.247   2.716
   81    H    PHE  12           H        PHE  12  -4.157   0.994  -0.310
   82    HA   PHE  12           HA       PHE  12  -5.266   3.177  -1.877
   83    HB2  PHE  12          2HB       PHE  12  -5.294   0.184  -2.310
   84    HB3  PHE  12          1HB       PHE  12  -5.912   1.369  -3.451
   85    HD1  PHE  12          1HD       PHE  12  -3.124  -0.561  -2.518
   86    HD2  PHE  12          2HD       PHE  12  -4.186   3.189  -4.221
   87    HE1  PHE  12          1HE       PHE  12  -0.901  -0.384  -3.527
   88    HE2  PHE  12          2HE       PHE  12  -1.966   3.363  -5.225
   89    HZ   PHE  12           HZ       PHE  12  -0.318   1.585  -4.885
   90    HA   PRO  13           HA       PRO  13  -9.304   3.214  -0.121
   91    HB2  PRO  13          2HB       PRO  13 -10.930   2.933  -2.355
   92    HB3  PRO  13          1HB       PRO  13 -10.217   4.448  -1.800
   93    HG2  PRO  13          2HG       PRO  13  -9.260   2.556  -3.911
   94    HG3  PRO  13          1HG       PRO  13  -9.292   4.327  -3.933
   95    HD2  PRO  13          2HD       PRO  13  -7.022   3.046  -3.491
   96    HD3  PRO  13          1HD       PRO  13  -7.421   4.493  -2.549
   97    H    ASN  14           H        ASN  14  -8.389   0.426  -1.903
   98    HA   ASN  14           HA       ASN  14 -10.784  -1.030  -1.153
   99    HB2  ASN  14          2HB       ASN  14  -9.866  -2.914  -2.444
  100    HB3  ASN  14          1HB       ASN  14  -9.914  -1.451  -3.408
  101   HD21  ASN  14          1HD2      ASN  14  -8.348  -3.828  -3.771
  102   HD22  ASN  14          2HD2      ASN  14  -6.700  -3.350  -3.794
  Start of MODEL   14
    1    H1   GLY   1           H        GLY   1  -8.075   0.019   0.495
    2    HA2  GLY   1          2HA       GLY   1  -7.214  -0.482   2.607
    3    HA3  GLY   1          1HA       GLY   1  -8.367  -1.814   2.745
    4    H    LYS   2           H        LYS   2  -6.002  -0.875   0.331
    5    HA   LYS   2           HA       LYS   2  -4.771  -3.520   0.630
    6    HB2  LYS   2          2HB       LYS   2  -6.221  -3.320  -1.407
    7    HB3  LYS   2          1HB       LYS   2  -5.198  -2.013  -1.957
    8    HG2  LYS   2          2HG       LYS   2  -3.336  -3.517  -2.225
    9    HG3  LYS   2          1HG       LYS   2  -4.265  -4.844  -1.511
   10    HD2  LYS   2          2HD       LYS   2  -5.924  -4.617  -3.343
   11    HD3  LYS   2          1HD       LYS   2  -4.908  -3.376  -4.072
   12    HE2  LYS   2          2HE       LYS   2  -4.051  -6.222  -3.560
   13    HE3  LYS   2          1HE       LYS   2  -4.655  -5.623  -5.100
   14    HZ1  LYS   2          1HZ       LYS   2  -2.261  -5.720  -5.012
   15    HZ2  LYS   2          2HZ       LYS   2  -2.189  -4.676  -3.726
   16    HZ3  LYS   2          3HZ       LYS   2  -2.749  -4.129  -5.226
   17    H    CYS   3           H        CYS   3  -3.012  -2.949   1.723
   18    HA   CYS   3           HA       CYS   3  -1.482  -0.615   0.861
   19    HB2  CYS   3          2HB       CYS   3  -1.350  -2.197   3.422
   20    HB3  CYS   3          1HB       CYS   3  -0.327  -0.825   3.030
   21    H    LEU   4           H        LEU   4   0.536  -0.723   0.284
   22    HA   LEU   4           HA       LEU   4   1.725  -3.352  -0.146
   23    HB2  LEU   4          2HB       LEU   4   2.438  -0.651  -1.276
   24    HB3  LEU   4          1HB       LEU   4   3.407  -2.087  -1.506
   25    HG   LEU   4           HG       LEU   4   2.241  -1.773  -3.450
   26   HD11  LEU   4          1HD1      LEU   4   0.822  -3.738  -3.686
   27   HD12  LEU   4          2HD1      LEU   4   0.770  -3.896  -1.933
   28   HD13  LEU   4          3HD1      LEU   4   2.303  -4.071  -2.788
   29   HD21  LEU   4          1HD2      LEU   4  -0.213  -1.534  -3.622
   30   HD22  LEU   4          2HD2      LEU   4   0.547  -0.202  -2.754
   31   HD23  LEU   4          3HD2      LEU   4  -0.305  -1.465  -1.862
   32    H    PHE   5           H        PHE   5   3.737  -3.763   0.532
   33    HA   PHE   5           HA       PHE   5   4.407  -2.407   3.040
   34    HB2  PHE   5          2HB       PHE   5   5.460  -4.992   1.860
   35    HB3  PHE   5          1HB       PHE   5   5.848  -4.368   3.459
   36    HD1  PHE   5          1HD       PHE   5   3.649  -6.396   1.577
   37    HD2  PHE   5          2HD       PHE   5   3.869  -3.980   5.064
   38    HE1  PHE   5          1HE       PHE   5   1.679  -7.545   2.499
   39    HE2  PHE   5          2HE       PHE   5   1.911  -5.118   5.989
   40    HZ   PHE   5           HZ       PHE   5   0.807  -6.905   4.707
   41    H    SER   6           H        SER   6   4.934  -1.244   0.494
   42    HA   SER   6           HA       SER   6   7.770  -1.302  -0.003
   43    HB2  SER   6          2HB       SER   6   5.592   0.457  -1.145
   44    HB3  SER   6          1HB       SER   6   7.188   0.163  -1.836
   45    HG   SER   6           HG       SER   6   6.549  -2.094  -1.861
   46    H    ASN   7           H        ASN   7   8.633   1.103  -0.358
   47    HA   ASN   7           HA       ASN   7   7.813   2.831   1.856
   48    HB2  ASN   7          2HB       ASN   7  10.576   2.102   0.914
   49    HB3  ASN   7          1HB       ASN   7  10.299   3.675   1.643
   50   HD21  ASN   7          1HD2      ASN   7  11.919   1.393   2.528
   51   HD22  ASN   7          2HD2      ASN   7  11.357   1.012   4.107
   52    HA   PRO   8           HA       PRO   8   6.866   4.535   2.170
   53    HB2  PRO   8          2HB       PRO   8   4.721   5.981   1.427
   54    HB3  PRO   8          1HB       PRO   8   6.302   6.730   1.679
   55    HG2  PRO   8          2HG       PRO   8   4.995   5.895  -0.882
   56    HG3  PRO   8          1HG       PRO   8   5.846   7.403  -0.508
   57    HD2  PRO   8          2HD       PRO   8   7.012   5.345  -1.841
   58    HD3  PRO   8          1HD       PRO   8   7.920   6.454  -0.796
   59    HA   PRO   9           HA       PRO   9   3.921   1.267   1.414
   60    HB2  PRO   9          2HB       PRO   9   2.424   1.842   3.816
   61    HB3  PRO   9          1HB       PRO   9   3.602   0.556   3.554
   62    HG2  PRO   9          2HG       PRO   9   4.015   2.689   5.237
   63    HG3  PRO   9          1HG       PRO   9   5.311   1.767   4.467
   64    HD2  PRO   9          2HD       PRO   9   4.149   4.401   3.702
   65    HD3  PRO   9          1HD       PRO   9   5.839   3.853   3.677
   66    H    ILE  10           H        ILE  10   2.766   1.981  -0.299
   67    HA   ILE  10           HA       ILE  10   0.779   4.023  -0.151
   68    HB   ILE  10           HB       ILE  10   1.154   1.908  -2.307
   69   HG12  ILE  10          2HG1      ILE  10   2.297   4.716  -2.159
   70   HG13  ILE  10          1HG1      ILE  10   3.214   3.241  -1.894
   71   HG21  ILE  10          1HG2      ILE  10  -1.018   3.026  -2.421
   72   HG22  ILE  10          2HG2      ILE  10   0.003   3.512  -3.774
   73   HG23  ILE  10          3HG2      ILE  10  -0.221   4.600  -2.404
   74   HD11  ILE  10          1HD1      ILE  10   3.597   4.137  -4.120
   75   HD12  ILE  10          2HD1      ILE  10   1.872   4.050  -4.467
   76   HD13  ILE  10          3HD1      ILE  10   2.793   2.568  -4.209
   77    H    CYS  11           H        CYS  11  -1.386   3.820   0.177
   78    HA   CYS  11           HA       CYS  11  -2.461   1.123   0.510
   79    HB2  CYS  11          2HB       CYS  11  -2.908   3.526   2.270
   80    HB3  CYS  11          1HB       CYS  11  -3.914   2.083   2.327
   81    H    PHE  12           H        PHE  12  -3.926   0.775  -0.910
   82    HA   PHE  12           HA       PHE  12  -5.259   2.961  -2.189
   83    HB2  PHE  12          2HB       PHE  12  -5.326  -0.028  -2.654
   84    HB3  PHE  12          1HB       PHE  12  -6.291   1.108  -3.596
   85    HD1  PHE  12          1HD       PHE  12  -2.937  -0.206  -3.007
   86    HD2  PHE  12          2HD       PHE  12  -5.224   2.760  -5.034
   87    HE1  PHE  12          1HE       PHE  12  -1.017   0.287  -4.463
   88    HE2  PHE  12          2HE       PHE  12  -3.315   3.249  -6.481
   89    HZ   PHE  12           HZ       PHE  12  -1.201   2.015  -6.198
   90    HA   PRO  13           HA       PRO  13  -8.791   3.500   0.189
   91    HB2  PRO  13          2HB       PRO  13 -10.575   3.152  -2.136
   92    HB3  PRO  13          1HB       PRO  13 -10.355   4.551  -1.080
   93    HG2  PRO  13          2HG       PRO  13  -9.364   4.570  -3.544
   94    HG3  PRO  13          1HG       PRO  13  -8.443   5.259  -2.196
   95    HD2  PRO  13          2HD       PRO  13  -8.125   2.626  -3.563
   96    HD3  PRO  13          1HD       PRO  13  -6.882   3.786  -3.051
   97    H    ASN  14           H        ASN  14  -8.862   0.603  -1.686
   98    HA   ASN  14           HA       ASN  14 -11.216  -0.435  -0.398
   99    HB2  ASN  14          2HB       ASN  14 -10.680  -2.561  -1.535
  100    HB3  ASN  14          1HB       ASN  14 -10.710  -1.206  -2.651
  101   HD21  ASN  14          1HD2      ASN  14  -9.410  -3.832  -2.777
  102   HD22  ASN  14          2HD2      ASN  14  -7.749  -3.498  -3.111
  Start of MODEL   15
    1    H1   GLY   1           H        GLY   1  -8.139   0.181   0.647
    2    HA2  GLY   1          2HA       GLY   1  -7.950  -0.222   2.939
    3    HA3  GLY   1          1HA       GLY   1  -9.151  -1.497   2.780
    4    H    LYS   2           H        LYS   2  -6.129  -1.073   0.995
    5    HA   LYS   2           HA       LYS   2  -4.884  -3.133   2.580
    6    HB2  LYS   2          2HB       LYS   2  -5.956  -4.397   0.705
    7    HB3  LYS   2          1HB       LYS   2  -5.075  -3.391  -0.444
    8    HG2  LYS   2          2HG       LYS   2  -2.949  -4.180   0.574
    9    HG3  LYS   2          1HG       LYS   2  -3.884  -5.268   1.584
   10    HD2  LYS   2          2HD       LYS   2  -4.721  -6.375  -0.454
   11    HD3  LYS   2          1HD       LYS   2  -3.704  -5.301  -1.422
   12    HE2  LYS   2          2HE       LYS   2  -2.749  -7.273   0.659
   13    HE3  LYS   2          1HE       LYS   2  -2.606  -7.443  -1.089
   14    HZ1  LYS   2          1HZ       LYS   2  -1.126  -5.526  -1.121
   15    HZ2  LYS   2          2HZ       LYS   2  -0.532  -6.694  -0.082
   16    HZ3  LYS   2          3HZ       LYS   2  -1.245  -5.334   0.550
   17    H    CYS   3           H        CYS   3  -2.686  -2.921   2.591
   18    HA   CYS   3           HA       CYS   3  -1.637  -0.706   1.016
   19    HB2  CYS   3          2HB       CYS   3  -0.692  -1.784   3.672
   20    HB3  CYS   3          1HB       CYS   3   0.087  -0.491   2.768
   21    H    LEU   4           H        LEU   4   0.158  -0.974  -0.096
   22    HA   LEU   4           HA       LEU   4   1.271  -3.659  -0.344
   23    HB2  LEU   4          2HB       LEU   4   0.528  -2.690  -2.422
   24    HB3  LEU   4          1HB       LEU   4   1.377  -1.201  -2.079
   25    HG   LEU   4           HG       LEU   4   3.529  -2.378  -2.340
   26   HD11  LEU   4          1HD1      LEU   4   3.590  -4.607  -3.312
   27   HD12  LEU   4          2HD1      LEU   4   1.838  -4.726  -3.168
   28   HD13  LEU   4          3HD1      LEU   4   2.837  -4.622  -1.717
   29   HD21  LEU   4          1HD2      LEU   4   3.398  -2.641  -4.764
   30   HD22  LEU   4          2HD2      LEU   4   2.541  -1.202  -4.214
   31   HD23  LEU   4          3HD2      LEU   4   1.637  -2.647  -4.665
   32    H    PHE   5           H        PHE   5   3.062  -3.992   0.690
   33    HA   PHE   5           HA       PHE   5   4.412  -2.060   2.158
   34    HB2  PHE   5          2HB       PHE   5   6.184  -3.901   2.418
   35    HB3  PHE   5          1HB       PHE   5   4.564  -4.255   2.993
   36    HD1  PHE   5          1HD       PHE   5   7.105  -5.033   0.480
   37    HD2  PHE   5          2HD       PHE   5   3.177  -5.899   1.867
   38    HE1  PHE   5          1HE       PHE   5   7.066  -7.066  -0.898
   39    HE2  PHE   5          2HE       PHE   5   3.132  -7.922   0.486
   40    HZ   PHE   5           HZ       PHE   5   5.085  -8.508  -0.900
   41    H    SER   6           H        SER   6   5.787  -0.591   1.647
   42    HA   SER   6           HA       SER   6   7.903  -0.823  -0.148
   43    HB2  SER   6          2HB       SER   6   5.919  -0.529  -1.763
   44    HB3  SER   6          1HB       SER   6   5.624   1.029  -0.996
   45    HG   SER   6           HG       SER   6   7.732   0.189  -2.634
   46    H    ASN   7           H        ASN   7   8.556   1.783  -0.375
   47    HA   ASN   7           HA       ASN   7   7.905   2.987   2.226
   48    HB2  ASN   7          2HB       ASN   7  10.661   2.952   0.959
   49    HB3  ASN   7          1HB       ASN   7  10.227   3.921   2.353
   50   HD21  ASN   7          1HD2      ASN   7   8.562   1.627   3.415
   51   HD22  ASN   7          2HD2      ASN   7   9.722   0.537   4.065
   52    HA   PRO   8           HA       PRO   8   6.581   4.312   2.771
   53    HB2  PRO   8          2HB       PRO   8   4.352   5.726   2.300
   54    HB3  PRO   8          1HB       PRO   8   5.842   6.529   2.816
   55    HG2  PRO   8          2HG       PRO   8   4.679   6.280   0.068
   56    HG3  PRO   8          1HG       PRO   8   5.388   7.701   0.854
   57    HD2  PRO   8          2HD       PRO   8   6.744   6.119  -0.916
   58    HD3  PRO   8          1HD       PRO   8   7.533   7.048   0.371
   59    HA   PRO   9           HA       PRO   9   4.045   1.003   1.203
   60    HB2  PRO   9          2HB       PRO   9   1.944   1.054   2.998
   61    HB3  PRO   9          1HB       PRO   9   3.502   0.283   3.316
   62    HG2  PRO   9          2HG       PRO   9   2.511   2.972   4.154
   63    HG3  PRO   9          1HG       PRO   9   3.467   1.797   5.073
   64    HD2  PRO   9          2HD       PRO   9   4.593   3.958   3.953
   65    HD3  PRO   9          1HD       PRO   9   5.445   2.400   4.024
   66    H    ILE  10           H        ILE  10   2.548   0.866  -0.324
   67    HA   ILE  10           HA       ILE  10   1.070   3.288  -0.981
   68    HB   ILE  10           HB       ILE  10   1.114   0.663  -2.508
   69   HG12  ILE  10          2HG1      ILE  10   3.420   1.536  -2.307
   70   HG13  ILE  10          1HG1      ILE  10   2.835   1.633  -3.962
   71   HG21  ILE  10          1HG2      ILE  10  -0.737   2.125  -3.072
   72   HG22  ILE  10          2HG2      ILE  10   0.411   2.021  -4.407
   73   HG23  ILE  10          3HG2      ILE  10   0.395   3.445  -3.371
   74   HD11  ILE  10          1HD1      ILE  10   2.382   4.013  -3.641
   75   HD12  ILE  10          2HD1      ILE  10   4.081   3.613  -3.371
   76   HD13  ILE  10          3HD1      ILE  10   3.011   3.904  -1.997
   77    H    CYS  11           H        CYS  11  -0.769   3.468   0.174
   78    HA   CYS  11           HA       CYS  11  -2.293   1.038   0.621
   79    HB2  CYS  11          2HB       CYS  11  -2.456   3.719   2.009
   80    HB3  CYS  11          1HB       CYS  11  -3.445   2.307   2.375
   81    H    PHE  12           H        PHE  12  -3.871   0.659  -0.632
   82    HA   PHE  12           HA       PHE  12  -4.828   2.714  -2.439
   83    HB2  PHE  12          2HB       PHE  12  -5.925  -0.078  -2.299
   84    HB3  PHE  12          1HB       PHE  12  -5.723   0.956  -3.697
   85    HD1  PHE  12          1HD       PHE  12  -4.530  -1.829  -1.982
   86    HD2  PHE  12          2HD       PHE  12  -3.168   1.423  -4.371
   87    HE1  PHE  12          1HE       PHE  12  -2.503  -3.095  -2.547
   88    HE2  PHE  12          2HE       PHE  12  -1.146   0.147  -4.934
   89    HZ   PHE  12           HZ       PHE  12  -0.813  -2.103  -4.026
   90    HA   PRO  13           HA       PRO  13  -8.564   3.534  -0.117
   91    HB2  PRO  13          2HB       PRO  13 -10.475   3.751  -2.056
   92    HB3  PRO  13          1HB       PRO  13  -9.266   4.997  -1.739
   93    HG2  PRO  13          2HG       PRO  13  -9.293   2.876  -3.843
   94    HG3  PRO  13          1HG       PRO  13  -8.830   4.580  -3.986
   95    HD2  PRO  13          2HD       PRO  13  -7.004   2.608  -3.797
   96    HD3  PRO  13          1HD       PRO  13  -6.735   4.213  -3.094
   97    H    ASN  14           H        ASN  14  -8.160   0.638  -1.655
   98    HA   ASN  14           HA       ASN  14 -10.795  -0.486  -1.190
   99    HB2  ASN  14          2HB       ASN  14  -9.937  -2.518  -2.159
  100    HB3  ASN  14          1HB       ASN  14  -9.376  -1.183  -3.150
  101   HD21  ASN  14          1HD2      ASN  14  -8.323  -3.828  -2.955
  102   HD22  ASN  14          2HD2      ASN  14  -6.683  -3.702  -2.446
  Start of MODEL   16
    1    H1   GLY   1           H        GLY   1  -8.024  -0.103   0.372
    2    HA2  GLY   1          2HA       GLY   1  -8.593  -0.527   2.684
    3    HA3  GLY   1          1HA       GLY   1  -9.373  -2.008   2.163
    4    H    LYS   2           H        LYS   2  -6.552  -1.889   0.450
    5    HA   LYS   2           HA       LYS   2  -5.137  -3.313   2.582
    6    HB2  LYS   2          2HB       LYS   2  -4.936  -3.801  -0.396
    7    HB3  LYS   2          1HB       LYS   2  -4.009  -4.626   0.845
    8    HG2  LYS   2          2HG       LYS   2  -6.180  -5.471   1.773
    9    HG3  LYS   2          1HG       LYS   2  -6.974  -4.801   0.348
   10    HD2  LYS   2          2HD       LYS   2  -6.568  -7.147  -0.036
   11    HD3  LYS   2          1HD       LYS   2  -5.466  -6.226  -1.061
   12    HE2  LYS   2          2HE       LYS   2  -3.649  -6.589   0.521
   13    HE3  LYS   2          1HE       LYS   2  -4.738  -7.426   1.621
   14    HZ1  LYS   2          1HZ       LYS   2  -3.875  -8.337  -1.074
   15    HZ2  LYS   2          2HZ       LYS   2  -5.050  -9.101  -0.139
   16    HZ3  LYS   2          3HZ       LYS   2  -3.488  -9.018   0.423
   17    H    CYS   3           H        CYS   3  -3.036  -2.850   2.952
   18    HA   CYS   3           HA       CYS   3  -1.934  -0.620   1.424
   19    HB2  CYS   3          2HB       CYS   3  -1.155  -1.651   4.164
   20    HB3  CYS   3          1HB       CYS   3  -0.446  -0.254   3.358
   21    H    LEU   4           H        LEU   4  -0.230  -0.892   0.246
   22    HA   LEU   4           HA       LEU   4   0.939  -3.558   0.073
   23    HB2  LEU   4          2HB       LEU   4   0.061  -2.634  -1.975
   24    HB3  LEU   4          1HB       LEU   4   1.009  -1.172  -1.767
   25    HG   LEU   4           HG       LEU   4   3.070  -2.572  -2.026
   26   HD11  LEU   4          1HD1      LEU   4   2.863  -4.776  -3.048
   27   HD12  LEU   4          2HD1      LEU   4   1.113  -4.706  -2.838
   28   HD13  LEU   4          3HD1      LEU   4   2.171  -4.730  -1.428
   29   HD21  LEU   4          1HD2      LEU   4   1.131  -2.590  -4.335
   30   HD22  LEU   4          2HD2      LEU   4   2.882  -2.764  -4.455
   31   HD23  LEU   4          3HD2      LEU   4   2.186  -1.254  -3.871
   32    H    PHE   5           H        PHE   5   2.959  -3.899   0.656
   33    HA   PHE   5           HA       PHE   5   4.417  -1.882   1.948
   34    HB2  PHE   5          2HB       PHE   5   6.250  -3.621   2.073
   35    HB3  PHE   5          1HB       PHE   5   4.719  -4.090   2.788
   36    HD1  PHE   5          1HD       PHE   5   7.221  -4.856   0.323
   37    HD2  PHE   5          2HD       PHE   5   3.236  -5.694   1.565
   38    HE1  PHE   5          1HE       PHE   5   7.232  -6.911  -1.007
   39    HE2  PHE   5          2HE       PHE   5   3.238  -7.736   0.226
   40    HZ   PHE   5           HZ       PHE   5   5.236  -8.359  -1.061
   41    H    SER   6           H        SER   6   5.803  -0.568   1.255
   42    HA   SER   6           HA       SER   6   7.289  -0.774  -1.152
   43    HB2  SER   6          2HB       SER   6   4.948  -0.132  -1.947
   44    HB3  SER   6          1HB       SER   6   5.071   1.308  -0.943
   45    HG   SER   6           HG       SER   6   6.331   0.643  -3.323
   46    H    ASN   7           H        ASN   7   8.004   1.913  -1.289
   47    HA   ASN   7           HA       ASN   7   8.282   2.719   1.461
   48    HB2  ASN   7          2HB       ASN   7  10.679   3.182   1.318
   49    HB3  ASN   7          1HB       ASN   7  10.365   1.494   0.988
   50   HD21  ASN   7          1HD2      ASN   7  11.672   4.423  -0.165
   51   HD22  ASN   7          2HD2      ASN   7  12.272   3.871  -1.669
   52    HA   PRO   8           HA       PRO   8   7.413   4.044   2.551
   53    HB2  PRO   8          2HB       PRO   8   5.337   5.684   2.895
   54    HB3  PRO   8          1HB       PRO   8   6.998   6.284   3.009
   55    HG2  PRO   8          2HG       PRO   8   5.090   6.448   0.711
   56    HG3  PRO   8          1HG       PRO   8   6.106   7.723   1.413
   57    HD2  PRO   8          2HD       PRO   8   6.789   6.328  -0.814
   58    HD3  PRO   8          1HD       PRO   8   7.974   6.997   0.322
   59    HA   PRO   9           HA       PRO   9   4.111   1.131   1.698
   60    HB2  PRO   9          2HB       PRO   9   2.315   1.701   3.754
   61    HB3  PRO   9          1HB       PRO   9   3.689   0.602   3.878
   62    HG2  PRO   9          2HG       PRO   9   3.466   3.457   4.724
   63    HG3  PRO   9          1HG       PRO   9   4.290   2.110   5.529
   64    HD2  PRO   9          2HD       PRO   9   5.673   3.938   4.180
   65    HD3  PRO   9          1HD       PRO   9   6.125   2.223   4.101
   66    H    ILE  10           H        ILE  10   2.280   1.058   0.503
   67    HA   ILE  10           HA       ILE  10   0.928   3.628   0.072
   68    HB   ILE  10           HB       ILE  10   1.245   1.302  -1.848
   69   HG12  ILE  10          2HG1      ILE  10   3.293   2.659  -1.589
   70   HG13  ILE  10          1HG1      ILE  10   2.597   2.833  -3.197
   71   HG21  ILE  10          1HG2      ILE  10  -0.929   2.384  -2.109
   72   HG22  ILE  10          2HG2      ILE  10   0.108   2.705  -3.493
   73   HG23  ILE  10          3HG2      ILE  10  -0.139   3.955  -2.270
   74   HD11  ILE  10          1HD1      ILE  10   1.596   4.950  -2.502
   75   HD12  ILE  10          2HD1      ILE  10   3.358   4.971  -2.389
   76   HD13  ILE  10          3HD1      ILE  10   2.377   4.802  -0.927
   77    H    CYS  11           H        CYS  11  -0.929   3.636   1.101
   78    HA   CYS  11           HA       CYS  11  -2.430   1.164   1.282
   79    HB2  CYS  11          2HB       CYS  11  -2.840   3.853   2.595
   80    HB3  CYS  11          1HB       CYS  11  -3.948   2.493   2.773
   81    H    PHE  12           H        PHE  12  -3.667   0.674  -0.288
   82    HA   PHE  12           HA       PHE  12  -4.531   2.696  -2.148
   83    HB2  PHE  12          2HB       PHE  12  -4.858  -0.309  -2.108
   84    HB3  PHE  12          1HB       PHE  12  -5.500   0.718  -3.378
   85    HD1  PHE  12          1HD       PHE  12  -3.877   2.061  -4.783
   86    HD2  PHE  12          2HD       PHE  12  -2.623  -1.028  -2.129
   87    HE1  PHE  12          1HE       PHE  12  -1.772   1.871  -6.009
   88    HE2  PHE  12          2HE       PHE  12  -0.502  -1.207  -3.362
   89    HZ   PHE  12           HZ       PHE  12  -0.075   0.240  -5.301
   90    HA   PRO  13           HA       PRO  13  -8.575   3.326  -0.494
   91    HB2  PRO  13          2HB       PRO  13 -10.021   3.696  -2.779
   92    HB3  PRO  13          1HB       PRO  13  -8.916   4.909  -2.126
   93    HG2  PRO  13          2HG       PRO  13  -8.452   2.896  -4.293
   94    HG3  PRO  13          1HG       PRO  13  -8.043   4.621  -4.273
   95    HD2  PRO  13          2HD       PRO  13  -6.189   2.765  -3.786
   96    HD3  PRO  13          1HD       PRO  13  -6.211   4.295  -2.885
   97    H    ASN  14           H        ASN  14  -7.759   0.507  -1.686
   98    HA   ASN  14           HA       ASN  14 -10.446  -0.604  -1.885
   99    HB2  ASN  14          2HB       ASN  14  -9.361  -2.708  -2.598
  100    HB3  ASN  14          1HB       ASN  14  -8.990  -1.364  -3.665
  101   HD21  ASN  14          1HD2      ASN  14  -7.177  -2.538  -4.431
  102   HD22  ASN  14          2HD2      ASN  14  -5.743  -2.676  -3.484
  Start of MODEL   17
    1    H1   GLY   1           H        GLY   1  -7.947  -0.330   0.114
    2    HA2  GLY   1          2HA       GLY   1  -8.096  -1.151   2.322
    3    HA3  GLY   1          1HA       GLY   1  -8.834  -2.621   1.702
    4    H    LYS   2           H        LYS   2  -6.073  -1.461   0.019
    5    HA   LYS   2           HA       LYS   2  -4.483  -3.486   1.391
    6    HB2  LYS   2          2HB       LYS   2  -5.188  -4.174  -0.883
    7    HB3  LYS   2          1HB       LYS   2  -4.366  -2.767  -1.532
    8    HG2  LYS   2          2HG       LYS   2  -2.232  -3.605  -0.730
    9    HG3  LYS   2          1HG       LYS   2  -3.038  -5.003  -0.018
   10    HD2  LYS   2          2HD       LYS   2  -3.802  -5.684  -2.251
   11    HD3  LYS   2          1HD       LYS   2  -2.969  -4.291  -2.938
   12    HE2  LYS   2          2HE       LYS   2  -1.639  -6.309  -3.196
   13    HE3  LYS   2          1HE       LYS   2  -0.839  -5.156  -2.131
   14    HZ1  LYS   2          1HZ       LYS   2  -0.714  -7.397  -1.285
   15    HZ2  LYS   2          2HZ       LYS   2  -2.381  -7.547  -1.233
   16    HZ3  LYS   2          3HZ       LYS   2  -1.596  -6.444  -0.227
   17    H    CYS   3           H        CYS   3  -2.712  -2.758   2.270
   18    HA   CYS   3           HA       CYS   3  -1.657  -0.179   1.417
   19    HB2  CYS   3          2HB       CYS   3  -1.167  -1.779   3.940
   20    HB3  CYS   3          1HB       CYS   3  -0.414  -0.230   3.569
   21    H    LEU   4           H        LEU   4   0.534   0.020   1.004
   22    HA   LEU   4           HA       LEU   4   1.684  -2.336  -0.203
   23    HB2  LEU   4          2HB       LEU   4   2.617   0.515  -0.159
   24    HB3  LEU   4          1HB       LEU   4   3.444  -0.784  -0.992
   25    HG   LEU   4           HG       LEU   4   0.660   0.098  -1.532
   26   HD11  LEU   4          1HD1      LEU   4   2.293   1.845  -2.143
   27   HD12  LEU   4          2HD1      LEU   4   1.636   1.110  -3.607
   28   HD13  LEU   4          3HD1      LEU   4   3.238   0.651  -3.029
   29   HD21  LEU   4          1HD2      LEU   4   2.474  -1.797  -3.013
   30   HD22  LEU   4          2HD2      LEU   4   0.927  -1.220  -3.622
   31   HD23  LEU   4          3HD2      LEU   4   0.981  -2.203  -2.163
   32    H    PHE   5           H        PHE   5   3.529  -3.191   0.223
   33    HA   PHE   5           HA       PHE   5   4.617  -2.730   2.908
   34    HB2  PHE   5          2HB       PHE   5   4.938  -5.096   1.048
   35    HB3  PHE   5          1HB       PHE   5   5.670  -4.957   2.643
   36    HD1  PHE   5          1HD       PHE   5   2.573  -5.513   0.804
   37    HD2  PHE   5          2HD       PHE   5   4.331  -5.135   4.638
   38    HE1  PHE   5          1HE       PHE   5   0.555  -6.463   1.813
   39    HE2  PHE   5          2HE       PHE   5   2.319  -6.089   5.672
   40    HZ   PHE   5           HZ       PHE   5   0.413  -6.758   4.252
   41    H    SER   6           H        SER   6   5.124  -2.030  -0.224
   42    HA   SER   6           HA       SER   6   7.987  -1.873  -0.160
   43    HB2  SER   6          2HB       SER   6   6.709  -2.333  -2.268
   44    HB3  SER   6          1HB       SER   6   5.974  -0.738  -2.135
   45    HG   SER   6           HG       SER   6   8.614  -1.471  -2.704
   46    H    ASN   7           H        ASN   7   8.773   0.483  -0.850
   47    HA   ASN   7           HA       ASN   7   7.546   2.271   1.104
   48    HB2  ASN   7          2HB       ASN   7  10.417   2.003   0.222
   49    HB3  ASN   7          1HB       ASN   7   9.836   3.485   0.956
   50   HD21  ASN   7          1HD2      ASN   7   8.581   0.390   1.975
   51   HD22  ASN   7          2HD2      ASN   7   9.381   0.351   3.495
   52    HA   PRO   8           HA       PRO   8   7.079   4.132   1.595
   53    HB2  PRO   8          2HB       PRO   8   5.053   5.873   1.322
   54    HB3  PRO   8          1HB       PRO   8   6.737   6.377   1.176
   55    HG2  PRO   8          2HG       PRO   8   4.715   5.881  -0.953
   56    HG3  PRO   8          1HG       PRO   8   5.995   7.103  -0.874
   57    HD2  PRO   8          2HD       PRO   8   6.133   4.723  -2.312
   58    HD3  PRO   8          1HD       PRO   8   7.516   5.722  -1.828
   59    HA   PRO   9           HA       PRO   9   3.564   1.347   1.744
   60    HB2  PRO   9          2HB       PRO   9   2.922   2.347   4.423
   61    HB3  PRO   9          1HB       PRO   9   3.494   0.746   3.948
   62    HG2  PRO   9          2HG       PRO   9   5.053   2.472   5.317
   63    HG3  PRO   9          1HG       PRO   9   5.714   1.342   4.121
   64    HD2  PRO   9          2HD       PRO   9   5.109   4.262   3.826
   65    HD3  PRO   9          1HD       PRO   9   6.520   3.330   3.275
   66    H    ILE  10           H        ILE  10   2.326   2.459   0.239
   67    HA   ILE  10           HA       ILE  10   0.526   4.541   1.134
   68    HB   ILE  10           HB       ILE  10   0.795   3.217  -1.593
   69   HG12  ILE  10          2HG1      ILE  10   1.805   5.905  -0.623
   70   HG13  ILE  10          1HG1      ILE  10   2.802   4.483  -0.898
   71   HG21  ILE  10          1HG2      ILE  10  -0.731   5.708  -0.814
   72   HG22  ILE  10          2HG2      ILE  10  -1.440   4.161  -1.272
   73   HG23  ILE  10          3HG2      ILE  10  -0.526   5.095  -2.455
   74   HD11  ILE  10          1HD1      ILE  10   2.986   6.066  -2.729
   75   HD12  ILE  10          2HD1      ILE  10   1.245   5.986  -2.993
   76   HD13  ILE  10          3HD1      ILE  10   2.247   4.562  -3.277
   77    H    CYS  11           H        CYS  11  -1.600   4.241   1.523
   78    HA   CYS  11           HA       CYS  11  -2.641   1.513   1.278
   79    HB2  CYS  11          2HB       CYS  11  -3.451   3.745   3.148
   80    HB3  CYS  11          1HB       CYS  11  -4.280   2.198   3.025
   81    H    PHE  12           H        PHE  12  -4.025   1.215  -0.267
   82    HA   PHE  12           HA       PHE  12  -5.207   3.539  -1.548
   83    HB2  PHE  12          2HB       PHE  12  -5.125   0.629  -2.403
   84    HB3  PHE  12          1HB       PHE  12  -5.772   1.950  -3.364
   85    HD1  PHE  12          1HD       PHE  12  -4.265   3.614  -4.352
   86    HD2  PHE  12          2HD       PHE  12  -2.779   0.252  -2.213
   87    HE1  PHE  12          1HE       PHE  12  -2.044   3.976  -5.335
   88    HE2  PHE  12          2HE       PHE  12  -0.554   0.612  -3.191
   89    HZ   PHE  12           HZ       PHE  12  -0.185   2.478  -4.757
   90    HA   PRO  13           HA       PRO  13  -9.307   2.962   0.093
   91    HB2  PRO  13          2HB       PRO  13 -10.441   3.038  -2.634
   92    HB3  PRO  13          1HB       PRO  13 -10.735   4.117  -1.271
   93    HG2  PRO  13          2HG       PRO  13  -9.283   4.900  -3.367
   94    HG3  PRO  13          1HG       PRO  13  -8.873   5.409  -1.721
   95    HD2  PRO  13          2HD       PRO  13  -7.605   3.314  -3.432
   96    HD3  PRO  13          1HD       PRO  13  -6.848   4.491  -2.335
   97    H    ASN  14           H        ASN  14  -8.024   0.709  -2.028
   98    HA   ASN  14           HA       ASN  14 -10.306  -1.036  -2.185
   99    HB2  ASN  14          2HB       ASN  14  -8.857  -2.594  -3.358
  100    HB3  ASN  14          1HB       ASN  14  -8.569  -0.982  -3.990
  101   HD21  ASN  14          1HD2      ASN  14  -6.876  -3.331  -4.092
  102   HD22  ASN  14          2HD2      ASN  14  -5.395  -2.877  -3.339
  Start of MODEL   18
    1    H1   GLY   1           H        GLY   1  -7.881  -0.183   0.394
    2    HA2  GLY   1          2HA       GLY   1  -7.905  -0.940   2.775
    3    HA3  GLY   1          1HA       GLY   1  -8.568  -2.442   2.154
    4    H    LYS   2           H        LYS   2  -6.772  -2.295  -0.207
    5    HA   LYS   2           HA       LYS   2  -4.668  -3.853   0.864
    6    HB2  LYS   2          2HB       LYS   2  -4.987  -2.637  -1.868
    7    HB3  LYS   2          1HB       LYS   2  -3.682  -3.722  -1.417
    8    HG2  LYS   2          2HG       LYS   2  -5.331  -5.467  -0.929
    9    HG3  LYS   2          1HG       LYS   2  -6.621  -4.369  -1.412
   10    HD2  LYS   2          2HD       LYS   2  -6.101  -5.864  -3.246
   11    HD3  LYS   2          1HD       LYS   2  -5.625  -4.222  -3.665
   12    HE2  LYS   2          2HE       LYS   2  -3.909  -5.783  -4.366
   13    HE3  LYS   2          1HE       LYS   2  -3.282  -4.765  -3.086
   14    HZ1  LYS   2          1HZ       LYS   2  -3.697  -6.592  -1.507
   15    HZ2  LYS   2          2HZ       LYS   2  -2.648  -7.057  -2.723
   16    HZ3  LYS   2          3HZ       LYS   2  -4.246  -7.568  -2.763
   17    H    CYS   3           H        CYS   3  -2.759  -3.327   1.615
   18    HA   CYS   3           HA       CYS   3  -1.658  -0.719   0.899
   19    HB2  CYS   3          2HB       CYS   3  -1.557  -2.089   3.598
   20    HB3  CYS   3          1HB       CYS   3  -0.575  -0.698   3.162
   21    H    LEU   4           H        LEU   4   0.279  -0.846   0.065
   22    HA   LEU   4           HA       LEU   4   1.577  -3.457   0.012
   23    HB2  LEU   4          2HB       LEU   4   2.349  -0.909  -1.378
   24    HB3  LEU   4          1HB       LEU   4   3.118  -2.467  -1.591
   25    HG   LEU   4           HG       LEU   4   0.323  -1.853  -2.108
   26   HD11  LEU   4          1HD1      LEU   4   1.750  -0.629  -3.699
   27   HD12  LEU   4          2HD1      LEU   4   1.004  -1.967  -4.582
   28   HD13  LEU   4          3HD1      LEU   4   2.676  -2.092  -4.023
   29   HD21  LEU   4          1HD2      LEU   4   0.327  -3.992  -3.437
   30   HD22  LEU   4          2HD2      LEU   4   0.574  -4.188  -1.705
   31   HD23  LEU   4          3HD2      LEU   4   1.948  -4.291  -2.807
   32    H    PHE   5           H        PHE   5   3.365  -3.851   0.889
   33    HA   PHE   5           HA       PHE   5   4.322  -1.944   2.858
   34    HB2  PHE   5          2HB       PHE   5   4.019  -4.310   3.589
   35    HB3  PHE   5          1HB       PHE   5   5.246  -4.809   2.437
   36    HD1  PHE   5          1HD       PHE   5   7.497  -4.863   3.074
   37    HD2  PHE   5          2HD       PHE   5   4.715  -2.669   5.416
   38    HE1  PHE   5          1HE       PHE   5   9.229  -4.498   4.774
   39    HE2  PHE   5          2HE       PHE   5   6.454  -2.295   7.125
   40    HZ   PHE   5           HZ       PHE   5   8.707  -3.205   6.800
   41    H    SER   6           H        SER   6   4.772  -0.730   0.934
   42    HA   SER   6           HA       SER   6   7.473  -1.207  -0.070
   43    HB2  SER   6          2HB       SER   6   5.282   0.614  -1.091
   44    HB3  SER   6          1HB       SER   6   6.832   0.306  -1.881
   45    HG   SER   6           HG       SER   6   6.131  -1.973  -1.648
   46    H    ASN   7           H        ASN   7   8.480   1.166  -0.574
   47    HA   ASN   7           HA       ASN   7   8.096   2.785   1.850
   48    HB2  ASN   7          2HB       ASN   7  10.708   2.247   0.411
   49    HB3  ASN   7          1HB       ASN   7  10.508   3.303   1.794
   50   HD21  ASN   7          1HD2      ASN   7   8.701   1.344   3.188
   51   HD22  ASN   7          2HD2      ASN   7   9.771   0.109   3.713
   52    HA   PRO   8           HA       PRO   8   7.136   4.487   2.259
   53    HB2  PRO   8          2HB       PRO   8   5.094   6.142   0.992
   54    HB3  PRO   8          1HB       PRO   8   6.208   6.572   2.290
   55    HG2  PRO   8          2HG       PRO   8   6.397   7.642  -0.181
   56    HG3  PRO   8          1HG       PRO   8   7.815   7.342   0.839
   57    HD2  PRO   8          2HD       PRO   8   6.724   5.687  -1.408
   58    HD3  PRO   8          1HD       PRO   8   8.403   6.167  -1.088
   59    HA   PRO   9           HA       PRO   9   3.934   1.459   1.527
   60    HB2  PRO   9          2HB       PRO   9   2.205   2.904   3.448
   61    HB3  PRO   9          1HB       PRO   9   2.770   1.231   3.487
   62    HG2  PRO   9          2HG       PRO   9   3.777   3.052   5.151
   63    HG3  PRO   9          1HG       PRO   9   4.799   1.797   4.427
   64    HD2  PRO   9          2HD       PRO   9   4.538   4.681   3.690
   65    HD3  PRO   9          1HD       PRO   9   5.986   3.658   3.762
   66    H    ILE  10           H        ILE  10   2.088   1.209   0.358
   67    HA   ILE  10           HA       ILE  10   0.746   3.675  -0.530
   68    HB   ILE  10           HB       ILE  10   1.051   1.115  -2.147
   69   HG12  ILE  10          2HG1      ILE  10   2.497   3.759  -2.509
   70   HG13  ILE  10          1HG1      ILE  10   3.229   2.296  -1.864
   71   HG21  ILE  10          1HG2      ILE  10   0.188   2.480  -4.004
   72   HG22  ILE  10          2HG2      ILE  10   0.004   3.849  -2.908
   73   HG23  ILE  10          3HG2      ILE  10  -0.962   2.393  -2.668
   74   HD11  ILE  10          1HD1      ILE  10   3.820   2.658  -4.196
   75   HD12  ILE  10          2HD1      ILE  10   2.113   2.626  -4.643
   76   HD13  ILE  10          3HD1      ILE  10   2.885   1.176  -4.001
   77    H    CYS  11           H        CYS  11  -1.123   3.685   0.578
   78    HA   CYS  11           HA       CYS  11  -2.538   1.167   0.791
   79    HB2  CYS  11          2HB       CYS  11  -2.767   3.709   2.383
   80    HB3  CYS  11          1HB       CYS  11  -4.004   2.458   2.431
   81    H    PHE  12           H        PHE  12  -4.005   0.764  -0.508
   82    HA   PHE  12           HA       PHE  12  -5.110   2.808  -2.202
   83    HB2  PHE  12          2HB       PHE  12  -5.528  -0.197  -2.112
   84    HB3  PHE  12          1HB       PHE  12  -6.176   0.874  -3.343
   85    HD1  PHE  12          1HD       PHE  12  -3.215  -0.885  -2.131
   86    HD2  PHE  12          2HD       PHE  12  -4.687   1.889  -5.002
   87    HE1  PHE  12          1HE       PHE  12  -1.188  -1.205  -3.477
   88    HE2  PHE  12          2HE       PHE  12  -2.658   1.583  -6.341
   89    HZ   PHE  12           HZ       PHE  12  -0.903   0.028  -5.583
   90    HA   PRO  13           HA       PRO  13  -8.670   3.553   0.366
   91    HB2  PRO  13          2HB       PRO  13 -10.207   3.498  -2.175
   92    HB3  PRO  13          1HB       PRO  13 -10.147   4.743  -0.925
   93    HG2  PRO  13          2HG       PRO  13  -8.855   5.101  -3.202
   94    HG3  PRO  13          1HG       PRO  13  -8.105   5.574  -1.663
   95    HD2  PRO  13          2HD       PRO  13  -7.577   3.193  -3.386
   96    HD3  PRO  13          1HD       PRO  13  -6.447   4.218  -2.482
   97    H    ASN  14           H        ASN  14  -8.636   0.877  -1.769
   98    HA   ASN  14           HA       ASN  14 -11.100  -0.259  -0.813
   99    HB2  ASN  14          2HB       ASN  14 -10.481  -2.289  -2.085
  100    HB3  ASN  14          1HB       ASN  14 -10.401  -0.828  -3.061
  101   HD21  ASN  14          1HD2      ASN  14  -8.508  -0.231  -3.934
  102   HD22  ASN  14          2HD2      ASN  14  -7.060  -1.167  -3.830
  Start of MODEL   19
    1    H1   GLY   1           H        GLY   1  -8.150  -0.046   0.535
    2    HA2  GLY   1          2HA       GLY   1  -7.729  -0.863   2.701
    3    HA3  GLY   1          1HA       GLY   1  -8.825  -2.196   2.389
    4    H    LYS   2           H        LYS   2  -5.949  -0.976   0.701
    5    HA   LYS   2           HA       LYS   2  -4.615  -3.519   1.247
    6    HB2  LYS   2          2HB       LYS   2  -4.945  -2.365  -1.537
    7    HB3  LYS   2          1HB       LYS   2  -3.847  -3.666  -1.115
    8    HG2  LYS   2          2HG       LYS   2  -5.729  -5.084  -0.509
    9    HG3  LYS   2          1HG       LYS   2  -6.848  -3.768  -0.856
   10    HD2  LYS   2          2HD       LYS   2  -6.779  -5.340  -2.716
   11    HD3  LYS   2          1HD       LYS   2  -6.119  -3.777  -3.197
   12    HE2  LYS   2          2HE       LYS   2  -3.850  -4.645  -2.928
   13    HE3  LYS   2          1HE       LYS   2  -4.498  -6.193  -2.391
   14    HZ1  LYS   2          1HZ       LYS   2  -5.537  -6.434  -4.581
   15    HZ2  LYS   2          2HZ       LYS   2  -3.870  -6.291  -4.723
   16    HZ3  LYS   2          3HZ       LYS   2  -4.849  -4.987  -5.097
   17    H    CYS   3           H        CYS   3  -2.762  -2.918   2.192
   18    HA   CYS   3           HA       CYS   3  -1.411  -0.543   1.136
   19    HB2  CYS   3          2HB       CYS   3  -1.099  -1.900   3.826
   20    HB3  CYS   3          1HB       CYS   3  -0.096  -0.574   3.259
   21    H    LEU   4           H        LEU   4   0.493  -0.728   0.218
   22    HA   LEU   4           HA       LEU   4   1.529  -3.410  -0.208
   23    HB2  LEU   4          2HB       LEU   4   2.604  -0.794  -1.221
   24    HB3  LEU   4          1HB       LEU   4   3.129  -2.393  -1.710
   25    HG   LEU   4           HG       LEU   4   0.473  -1.260  -2.011
   26   HD11  LEU   4          1HD1      LEU   4   2.094  -0.112  -3.485
   27   HD12  LEU   4          2HD1      LEU   4   1.075  -1.133  -4.499
   28   HD13  LEU   4          3HD1      LEU   4   2.698  -1.664  -4.063
   29   HD21  LEU   4          1HD2      LEU   4   1.604  -3.843  -3.067
   30   HD22  LEU   4          2HD2      LEU   4   0.080  -3.164  -3.627
   31   HD23  LEU   4          3HD2      LEU   4   0.265  -3.624  -1.937
   32    H    PHE   5           H        PHE   5   3.365  -4.094   0.420
   33    HA   PHE   5           HA       PHE   5   4.656  -2.772   2.640
   34    HB2  PHE   5          2HB       PHE   5   4.396  -5.274   2.600
   35    HB3  PHE   5          1HB       PHE   5   5.468  -5.334   1.213
   36    HD1  PHE   5          1HD       PHE   5   5.307  -4.429   4.805
   37    HD2  PHE   5          2HD       PHE   5   7.801  -5.442   1.509
   38    HE1  PHE   5          1HE       PHE   5   7.227  -4.649   6.325
   39    HE2  PHE   5          2HE       PHE   5   9.723  -5.663   3.027
   40    HZ   PHE   5           HZ       PHE   5   9.432  -5.267   5.437
   41    H    SER   6           H        SER   6   4.928  -0.979   1.195
   42    HA   SER   6           HA       SER   6   7.510  -1.078  -0.187
   43    HB2  SER   6          2HB       SER   6   5.507  -0.932  -1.723
   44    HB3  SER   6          1HB       SER   6   5.091   0.584  -0.939
   45    HG   SER   6           HG       SER   6   6.542   1.555  -2.107
   46    H    ASN   7           H        ASN   7   8.448   1.144  -0.253
   47    HA   ASN   7           HA       ASN   7   7.611   2.851   1.985
   48    HB2  ASN   7          2HB       ASN   7  10.454   2.185   1.122
   49    HB3  ASN   7          1HB       ASN   7  10.036   3.403   2.313
   50   HD21  ASN   7          1HD2      ASN   7   7.974   1.814   3.628
   51   HD22  ASN   7          2HD2      ASN   7   8.801   0.554   4.456
   52    HA   PRO   8           HA       PRO   8   6.777   4.767   2.218
   53    HB2  PRO   8          2HB       PRO   8   4.753   6.213   1.133
   54    HB3  PRO   8          1HB       PRO   8   6.305   6.936   1.576
   55    HG2  PRO   8          2HG       PRO   8   5.356   6.006  -1.105
   56    HG3  PRO   8          1HG       PRO   8   6.161   7.528  -0.674
   57    HD2  PRO   8          2HD       PRO   8   7.516   5.478  -1.755
   58    HD3  PRO   8          1HD       PRO   8   8.242   6.536  -0.529
   59    HA   PRO   9           HA       PRO   9   3.842   1.499   1.447
   60    HB2  PRO   9          2HB       PRO   9   2.157   2.328   3.662
   61    HB3  PRO   9          1HB       PRO   9   3.268   0.959   3.581
   62    HG2  PRO   9          2HG       PRO   9   3.707   3.135   5.165
   63    HG3  PRO   9          1HG       PRO   9   5.011   2.155   4.476
   64    HD2  PRO   9          2HD       PRO   9   3.908   4.773   3.530
   65    HD3  PRO   9          1HD       PRO   9   5.599   4.246   3.661
   66    H    ILE  10           H        ILE  10   2.732   1.885  -0.360
   67    HA   ILE  10           HA       ILE  10   0.739   3.905  -0.639
   68    HB   ILE  10           HB       ILE  10   1.158   1.413  -2.322
   69   HG12  ILE  10          2HG1      ILE  10   2.226   4.215  -2.756
   70   HG13  ILE  10          1HG1      ILE  10   3.181   2.841  -2.212
   71   HG21  ILE  10          1HG2      ILE  10  -1.041   2.411  -2.662
   72   HG22  ILE  10          2HG2      ILE  10  -0.030   2.667  -4.085
   73   HG23  ILE  10          3HG2      ILE  10  -0.300   3.986  -2.944
   74   HD11  ILE  10          1HD1      ILE  10   1.796   3.084  -4.878
   75   HD12  ILE  10          2HD1      ILE  10   2.776   1.717  -4.345
   76   HD13  ILE  10          3HD1      ILE  10   3.520   3.294  -4.584
   77    H    CYS  11           H        CYS  11  -1.175   3.808   0.289
   78    HA   CYS  11           HA       CYS  11  -2.359   1.184   0.756
   79    HB2  CYS  11          2HB       CYS  11  -2.682   3.748   2.318
   80    HB3  CYS  11          1HB       CYS  11  -3.694   2.327   2.550
   81    H    PHE  12           H        PHE  12  -3.767   0.742  -0.607
   82    HA   PHE  12           HA       PHE  12  -5.022   2.670  -2.286
   83    HB2  PHE  12          2HB       PHE  12  -5.425  -0.310  -1.994
   84    HB3  PHE  12          1HB       PHE  12  -6.141   0.677  -3.252
   85    HD1  PHE  12          1HD       PHE  12  -2.980  -0.722  -1.961
   86    HD2  PHE  12          2HD       PHE  12  -4.884   1.315  -5.167
   87    HE1  PHE  12          1HE       PHE  12  -1.031  -1.149  -3.385
   88    HE2  PHE  12          2HE       PHE  12  -2.928   0.887  -6.591
   89    HZ   PHE  12           HZ       PHE  12  -1.000  -0.340  -5.703
   90    HA   PRO  13           HA       PRO  13  -8.568   3.404   0.299
   91    HB2  PRO  13          2HB       PRO  13 -10.242   3.786  -2.073
   92    HB3  PRO  13          1HB       PRO  13  -9.737   4.960  -0.860
   93    HG2  PRO  13          2HG       PRO  13  -8.762   5.004  -3.366
   94    HG3  PRO  13          1HG       PRO  13  -7.783   5.471  -1.966
   95    HD2  PRO  13          2HD       PRO  13  -7.790   2.902  -3.506
   96    HD3  PRO  13          1HD       PRO  13  -6.422   3.852  -2.881
   97    H    ASN  14           H        ASN  14  -8.447   0.669  -1.563
   98    HA   ASN  14           HA       ASN  14 -11.104  -0.180  -0.716
   99    HB2  ASN  14          2HB       ASN  14 -10.770  -2.195  -2.159
  100    HB3  ASN  14          1HB       ASN  14 -10.703  -0.690  -3.055
  101   HD21  ASN  14          1HD2      ASN  14  -9.667  -3.322  -3.716
  102   HD22  ASN  14          2HD2      ASN  14  -7.986  -3.106  -4.028
  Start of MODEL   20
    1    H1   GLY   1           H        GLY   1  -9.952  -2.280   0.960
    2    HA2  GLY   1          2HA       GLY   1  -8.444  -1.110   3.159
    3    HA3  GLY   1          1HA       GLY   1  -9.434  -2.559   3.253
    4    H    LYS   2           H        LYS   2  -6.514  -1.475   1.563
    5    HA   LYS   2           HA       LYS   2  -4.893  -3.505   2.750
    6    HB2  LYS   2          2HB       LYS   2  -6.105  -4.846   1.056
    7    HB3  LYS   2          1HB       LYS   2  -5.577  -3.715  -0.175
    8    HG2  LYS   2          2HG       LYS   2  -3.294  -4.378   0.092
    9    HG3  LYS   2          1HG       LYS   2  -3.703  -5.382   1.476
   10    HD2  LYS   2          2HD       LYS   2  -3.372  -6.794  -0.451
   11    HD3  LYS   2          1HD       LYS   2  -5.069  -6.822  -0.006
   12    HE2  LYS   2          2HE       LYS   2  -3.986  -5.044  -2.199
   13    HE3  LYS   2          1HE       LYS   2  -4.509  -6.692  -2.502
   14    HZ1  LYS   2          1HZ       LYS   2  -6.259  -5.154  -3.031
   15    HZ2  LYS   2          2HZ       LYS   2  -6.250  -4.447  -1.537
   16    HZ3  LYS   2          3HZ       LYS   2  -6.743  -6.048  -1.707
   17    H    CYS   3           H        CYS   3  -2.763  -2.920   2.627
   18    HA   CYS   3           HA       CYS   3  -2.125  -0.655   0.888
   19    HB2  CYS   3          2HB       CYS   3  -0.868  -1.416   3.539
   20    HB3  CYS   3          1HB       CYS   3  -0.397  -0.053   2.535
   21    H    LEU   4           H        LEU   4  -0.112  -0.699  -0.123
   22    HA   LEU   4           HA       LEU   4   0.979  -3.368  -0.587
   23    HB2  LEU   4          2HB       LEU   4   0.397  -1.899  -2.492
   24    HB3  LEU   4          1HB       LEU   4   1.546  -0.715  -1.909
   25    HG   LEU   4           HG       LEU   4   3.363  -2.377  -2.264
   26   HD11  LEU   4          1HD1      LEU   4   2.065  -4.412  -2.159
   27   HD12  LEU   4          2HD1      LEU   4   2.915  -4.298  -3.702
   28   HD13  LEU   4          3HD1      LEU   4   1.188  -3.953  -3.620
   29   HD21  LEU   4          1HD2      LEU   4   3.411  -2.145  -4.704
   30   HD22  LEU   4          2HD2      LEU   4   2.948  -0.650  -3.902
   31   HD23  LEU   4          3HD2      LEU   4   1.718  -1.644  -4.686
   32    H    PHE   5           H        PHE   5   2.977  -3.949   0.134
   33    HA   PHE   5           HA       PHE   5   4.283  -2.286   2.032
   34    HB2  PHE   5          2HB       PHE   5   4.233  -4.785   2.205
   35    HB3  PHE   5          1HB       PHE   5   5.270  -4.868   0.784
   36    HD1  PHE   5          1HD       PHE   5   7.638  -4.422   0.946
   37    HD2  PHE   5          2HD       PHE   5   5.090  -3.903   4.318
   38    HE1  PHE   5          1HE       PHE   5   9.602  -4.238   2.403
   39    HE2  PHE   5          2HE       PHE   5   7.049  -3.715   5.771
   40    HZ   PHE   5           HZ       PHE   5   9.311  -3.881   4.821
   41    H    SER   6           H        SER   6   5.386  -0.613   1.431
   42    HA   SER   6           HA       SER   6   7.501  -0.803  -0.489
   43    HB2  SER   6          2HB       SER   6   5.412  -0.186  -1.835
   44    HB3  SER   6          1HB       SER   6   5.277   1.254  -0.833
   45    HG   SER   6           HG       SER   6   7.207   0.584  -2.760
   46    H    ASN   7           H        ASN   7   8.458   1.625  -0.428
   47    HA   ASN   7           HA       ASN   7   8.111   2.710   2.267
   48    HB2  ASN   7          2HB       ASN   7  10.776   2.047   0.986
   49    HB3  ASN   7          1HB       ASN   7  10.589   2.943   2.483
   50   HD21  ASN   7          1HD2      ASN   7  10.552  -0.120   0.947
   51   HD22  ASN   7          2HD2      ASN   7  10.485  -1.092   2.377
   52    HA   PRO   8           HA       PRO   8   7.134   4.458   2.849
   53    HB2  PRO   8          2HB       PRO   8   5.295   6.260   1.423
   54    HB3  PRO   8          1HB       PRO   8   6.068   6.488   2.991
   55    HG2  PRO   8          2HG       PRO   8   6.787   7.940   0.862
   56    HG3  PRO   8          1HG       PRO   8   7.982   7.403   2.058
   57    HD2  PRO   8          2HD       PRO   8   7.331   6.213  -0.620
   58    HD3  PRO   8          1HD       PRO   8   8.920   6.580   0.088
   59    HA   PRO   9           HA       PRO   9   4.274   1.439   1.267
   60    HB2  PRO   9          2HB       PRO   9   2.238   2.293   3.203
   61    HB3  PRO   9          1HB       PRO   9   3.094   0.753   3.085
   62    HG2  PRO   9          2HG       PRO   9   3.585   2.513   5.064
   63    HG3  PRO   9          1HG       PRO   9   4.856   1.484   4.386
   64    HD2  PRO   9          2HD       PRO   9   4.280   4.366   3.878
   65    HD3  PRO   9          1HD       PRO   9   5.839   3.532   4.062
   66    H    ILE  10           H        ILE  10   2.210   1.174   0.192
   67    HA   ILE  10           HA       ILE  10   0.996   3.752  -0.578
   68    HB   ILE  10           HB       ILE  10   1.103   1.289  -2.379
   69   HG12  ILE  10          2HG1      ILE  10   2.816   3.797  -2.516
   70   HG13  ILE  10          1HG1      ILE  10   3.395   2.216  -2.017
   71   HG21  ILE  10          1HG2      ILE  10   0.329   4.138  -2.942
   72   HG22  ILE  10          2HG2      ILE  10  -0.767   2.764  -2.781
   73   HG23  ILE  10          3HG2      ILE  10   0.387   2.819  -4.114
   74   HD11  ILE  10          1HD1      ILE  10   4.038   2.681  -4.300
   75   HD12  ILE  10          2HD1      ILE  10   2.356   2.962  -4.741
   76   HD13  ILE  10          3HD1      ILE  10   2.880   1.350  -4.265
   77    H    CYS  11           H        CYS  11  -0.877   3.789   0.539
   78    HA   CYS  11           HA       CYS  11  -2.337   1.307   0.775
   79    HB2  CYS  11          2HB       CYS  11  -2.760   3.997   2.083
   80    HB3  CYS  11          1HB       CYS  11  -3.843   2.622   2.303
   81    H    PHE  12           H        PHE  12  -3.846   0.759  -0.505
   82    HA   PHE  12           HA       PHE  12  -4.566   2.473  -2.686
   83    HB2  PHE  12          2HB       PHE  12  -5.464  -0.338  -1.993
   84    HB3  PHE  12          1HB       PHE  12  -5.700   0.466  -3.534
   85    HD1  PHE  12          1HD       PHE  12  -3.276   1.446  -4.485
   86    HD2  PHE  12          2HD       PHE  12  -3.872  -1.948  -1.980
   87    HE1  PHE  12          1HE       PHE  12  -1.191   0.475  -5.312
   88    HE2  PHE  12          2HE       PHE  12  -1.771  -2.920  -2.805
   89    HZ   PHE  12           HZ       PHE  12  -0.432  -1.709  -4.474
   90    HA   PRO  13           HA       PRO  13  -8.609   3.799  -1.304
   91    HB2  PRO  13          2HB       PRO  13  -9.914   2.437  -3.601
   92    HB3  PRO  13          1HB       PRO  13  -9.989   4.135  -3.116
   93    HG2  PRO  13          2HG       PRO  13  -8.541   3.437  -5.214
   94    HG3  PRO  13          1HG       PRO  13  -7.912   4.627  -4.058
   95    HD2  PRO  13          2HD       PRO  13  -7.252   1.714  -4.318
   96    HD3  PRO  13          1HD       PRO  13  -6.158   3.093  -4.071
   97    H    ASN  14           H        ASN  14  -8.071   0.409  -1.763
   98    HA   ASN  14           HA       ASN  14 -10.537  -0.266  -0.422
   99    HB2  ASN  14          2HB       ASN  14  -9.948  -2.618  -0.980
  100    HB3  ASN  14          1HB       ASN  14 -10.113  -1.620  -2.410
  101   HD21  ASN  14          1HD2      ASN  14  -8.317  -1.249  -3.695
  102   HD22  ASN  14          2HD2      ASN  14  -6.840  -2.114  -3.487