*HEADER    BIOSYNTHETIC PROTEIN                    25-FEB-20   6VY8              
*TITLE     NMR SOLUTION STRUCTURE OF A TRIAZOLE BRIDGED TRYPSIN INHIBITOR BASED  
*TITLE    2 ON THE FRAMEWORK OF SFTI-1                                           
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: TRYPSIN INHIBITOR GLY-ARG-RVJ-THR-LYS-SER-ILE-PRO-PRO-ILE- 
*COMPND   3 2AG-PHE-PRO-ASP;                                                     
*COMPND   4 CHAIN: A;                                                            
*COMPND   5 ENGINEERED: 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    TRIAZOLE, DISULFIDE MIMETIC, INHIBITOR, BIOSYNTHETIC PROTEIN          
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    A.M.WHITE,P.J.HARVEY,T.DUREK,D.J.CRAIK                                
*REVDAT   2   15-NOV-23 6VY8    1                                                
*REVDAT   1   01-JUL-20 6VY8    0                                                
# Restraints file 1: restraints.tbl
!distance restraints
assign (resid  11 and name   HN)   (resid  11 and name  HB2)   2.905    1.105    1.105  
assign (resid  11 and name   HN)   (resid  11 and name  HB1)   2.905    1.105    1.105  
assign (resid  10 and name   HA)   (resid  11 and name   HN)   2.130    0.330    0.330  
assign (resid  10 and name   HN)   (resid  10 and name   HB)   2.580    0.780    0.780  
assign (resid  13 and name   HA)   (resid  14 and name   HN)   2.565    0.765    0.765  
assign (resid   1 and name   HN)   (resid  14 and name   HA)   2.690    0.890    0.890  
assign (resid   2 and name  HB2)   (resid   3 and name   HN)   3.030    1.230    1.230  
assign (resid   2 and name  HB1)   (resid   3 and name   HN)   3.030    1.230    1.230  
assign (resid   2 and name   HA)   (resid   3 and name   HN)   2.145    0.345    0.345  
assign (resid   3 and name   HA)   (resid  11 and name   HN)   3.110    1.310    1.310  
assign (resid   4 and name   HA)   (resid   5 and name   HN)   2.145    0.345    0.345  
assign (resid   4 and name   HB)   (resid   5 and name   HN)   2.875    1.075    1.075  
assign (resid   5 and name   HN)   (resid   5 and name  HB2)   2.765    0.965    0.965  
assign (resid   5 and name   HN)   (resid   5 and name  HB1)   2.765    0.965    0.965  
assign (resid   6 and name   HN)   (resid   6 and name   HA)   2.365    0.565    0.565  
assign (resid   6 and name   HN)   (resid   6 and name  HB2)   2.920    1.120    1.120  
assign (resid   6 and name   HN)   (resid   6 and name  HB1)   2.920    1.120    1.120  
assign (resid   5 and name   HA)   (resid   6 and name   HN)   2.455    0.655    0.655  
assign (resid   6 and name   HA)   (resid   7 and name   HN)   2.365    0.565    0.565  
assign (resid   7 and name   HA)   (resid   8 and name   HA)   2.470    0.670    0.670  
assign (resid   5 and name   HN)   (resid   6 and name   HN)   2.720    0.920    0.920  
assign (resid   1 and name   HN)   (resid  14 and name   HN)   2.565    0.765    0.765  
assign (resid  12 and name  HB2)   (resid  14 and name   HN)   2.720    0.920    0.920  
assign (resid  12 and name  HB1)   (resid  14 and name   HN)   2.720    0.920    0.920  
assign (resid   9 and name   HA)   (resid  10 and name   HN)   2.160    0.360    0.360  
assign (resid   4 and name   HB)   (resid   6 and name   HN)   2.875    1.075    1.075  
assign (resid   9 and name  HB1)   (resid  10 and name   HN)   2.955    1.155    1.155  
assign (resid   9 and name  HB2)   (resid  10 and name   HN)   2.955    1.155    1.155  
assign (resid   3 and name   HA)   (resid   4 and name   HN)   2.455    0.655    0.655  
assign (resid   3 and name   HA)   (resid  11 and name   HA)   2.315    0.515    0.515  
assign (resid  10 and name   HN)   (resid  10 and name HG12)   3.650    1.850    1.850  
assign (resid   8 and name   HA)   (resid   9 and name  HD2)   2.455    0.655    0.655  
assign (resid   8 and name   HA)   (resid   9 and name  HD1)   2.455    0.655    0.655  
assign (resid  11 and name   HD)   (resid  10 and name   HA)   3.650    1.850    1.850  
assign (resid  11 and name   HD)   (resid  11 and name   HA)   3.650    1.850    1.850  
assign (resid  11 and name   HD)   (resid  11 and name   HN)   3.355    1.555    1.555  
assign (resid  10 and name HG11)   (resid  11 and name   HN)   3.650    1.850    1.850  
assign (resid  10 and name HG12)   (resid  11 and name   HN)   3.650    1.850    1.850  
assign (resid  12 and name   HA)   (resid  12 and name  HD#)   4.340    2.540    2.540  
assign (resid  11 and name   HA)   (resid  12 and name  HD#)   4.405    2.605    2.605  
assign (resid  10 and name   HN)   (resid  10 and name HG11)   3.650    1.850    1.850  
assign (resid  10 and name   HN)   (resid  10 and name HG2#)   3.940    2.140    2.140  
assign (resid   7 and name   HN)   (resid   7 and name HG2#)   3.895    2.095    2.095  
assign (resid   4 and name HG2#)   (resid   5 and name   HN)   3.695    1.895    1.895  
assign (resid   5 and name   HN)   (resid   7 and name HG2#)   4.160    2.360    2.360  
assign (resid  10 and name HG2#)   (resid  11 and name   HN)   3.805    2.005    2.005  
assign (resid   4 and name HG2#)   (resid   6 and name   HN)   3.820    2.020    2.020  
assign (resid  10 and name HG2#)   (resid  12 and name  HD#)   4.665    2.865    2.865  
assign (resid   7 and name HG2#)   (resid   8 and name   HA)   3.120    1.320    1.320  
assign (resid   7 and name   HA)   (resid   7 and name HG2#)   2.980    1.180    1.180  
assign (resid   7 and name HG2#)   (resid   7 and name HG11)   2.610    0.810    0.810  
assign (resid   7 and name HG2#)   (resid   7 and name HG12)   2.610    0.810    0.810  
assign (resid   1 and name   HN)   (resid   1 and name  HA#)   2.115    0.315    0.315  
assign (resid   1 and name   HN)   (resid  12 and name  HB#)   3.500    1.700    1.700  
assign (resid   2 and name   HA)   (resid   2 and name  HG#)   2.735    0.935    0.935  
assign (resid   2 and name  HB#)   (resid   2 and name   HE)   3.195    1.395    1.395  
assign (resid   2 and name  HB#)   (resid   3 and name   HN)   2.665    0.865    0.865  
assign (resid   2 and name  HB#)   (resid  12 and name  HD#)   4.145    2.345    2.345  
assign (resid   2 and name  HG#)   (resid   3 and name   HN)   3.570    1.770    1.770  
assign (resid   3 and name   HN)   (resid   3 and name  HB#)   2.480    0.680    0.680  
assign (resid   3 and name  HB#)   (resid  11 and name  HB#)   2.585    0.785    0.785  
assign (resid  11 and name   HD)   (resid   9 and name  HB#)   2.540    0.740    0.740  
assign (resid  11 and name   HD)   (resid   9 and name  HG#)   2.560    0.760    0.760  
assign (resid  11 and name   HD)   (resid  11 and name  HB#)   2.455    0.655    0.655  
assign (resid   4 and name HG2#)   (resid   6 and name  HB#)   3.410    1.610    1.610  
assign (resid   5 and name   HN)   (resid   5 and name  HB#)   2.350    0.550    0.550  
assign (resid   5 and name   HN)   (resid   5 and name  HG#)   3.425    1.625    1.625  
assign (resid   5 and name   HN)   (resid   5 and name  HD#)   2.575    0.775    0.775  
assign (resid   6 and name   HN)   (resid   6 and name  HB#)   2.575    0.775    0.775  
assign (resid   6 and name  HB#)   (resid   7 and name   HN)   2.620    0.820    0.820  
assign (resid   7 and name   HN)   (resid   7 and name HG1#)   3.060    1.260    1.260  
assign (resid   8 and name   HA)   (resid   9 and name  HD#)   2.240    0.440    0.440  
assign (resid  10 and name   HN)   (resid  10 and name HG1#)   3.290    1.490    1.490  
assign (resid  11 and name   HN)   (resid  11 and name  HB#)   2.475    0.675    0.675  
assign (resid  12 and name   HA)   (resid  13 and name  HD#)   2.265    0.465    0.465  
assign (resid  12 and name  HB#)   (resid  13 and name  HD#)   2.425    0.625    0.625  
assign (resid  12 and name  HB#)   (resid  14 and name   HN)   2.485    0.685    0.685  
assign (resid  12 and name  HD#)   (resid  13 and name  HD#)   4.285    2.485    2.485  
assign (resid  13 and name  HD#)   (resid  14 and name   HN)   3.235    1.435    1.435  
assign (resid  14 and name   HN)   (resid  14 and name  HB#)   2.505    0.705    0.705  


!dihedral restraints
assign (resid 3     and name C    ) (resid 4     and name N    ) (resid 4     and name CA   ) (resid 4     and name C    )    1.0 -121.8   38.3 2
assign (resid 4     and name N    ) (resid 4     and name CA   ) (resid 4     and name C    ) (resid 5     and name N    )    1.0  134.5   26.0 2
assign (resid 6     and name C    ) (resid 7     and name N    ) (resid 7     and name CA   ) (resid 7     and name C    )    1.0  -94.2   43.1 2
assign (resid 7     and name N    ) (resid 7     and name CA   ) (resid 7     and name C    ) (resid 8     and name N    )    1.0  136.5   32.9 2
assign (resid 8     and name N    ) (resid 8     and name CA   ) (resid 8     and name C    ) (resid 9     and name N    )    1.0  145.6   21.6 2
assign (resid 9     and name C    ) (resid 10    and name N    ) (resid 10    and name CA   ) (resid 10    and name C    )    1.0 -114.1   27.1 2
assign (resid 10    and name N    ) (resid 10    and name CA   ) (resid 10    and name C    ) (resid 11    and name N    )    1.0  128.2   20.0 2
assign (resid 11    and name C    ) (resid 12    and name N    ) (resid 12    and name CA   ) (resid 12    and name C    )    1.0  -90.7   33.0 2
assign (resid 12    and name N    ) (resid 12    and name CA   ) (resid 12    and name C    ) (resid 13    and name N    )    1.0  147.9   26.0 2

!HBonds
assign (resid  10 and name     )   (resid   4 and name  OG1)   1.900    0.100    0.100  
assign (resid  10 and name    N)   (resid   4 and name  OG1)   2.400    0.600    0.600  

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   GLY   1           H        GLY   1  -7.541  -1.223   1.101
    2    HA2  GLY   1           HA2      GLY   1  -6.838  -3.136   2.543
    3    HA3  GLY   1           HA3      GLY   1  -7.672  -4.156   1.386
    4    H    ARG   2           H        ARG   2  -6.434  -2.083  -0.633
    5    HA   ARG   2           HA       ARG   2  -4.148  -3.784  -1.161
    6    HB2  ARG   2           HB2      ARG   2  -5.354  -1.493  -2.643
    7    HB3  ARG   2           HB3      ARG   2  -3.933  -2.351  -3.200
    8    HG2  ARG   2           HG2      ARG   2  -5.173  -4.371  -3.505
    9    HG3  ARG   2           HG3      ARG   2  -6.586  -3.679  -2.700
   10    HD2  ARG   2           HD2      ARG   2  -5.386  -2.650  -5.270
   11    HD3  ARG   2           HD3      ARG   2  -6.812  -3.689  -5.161
   12    HE   ARG   2           HE       ARG   2  -7.556  -1.751  -3.575
   13   HH11  ARG   2          1HH1      ARG   2  -6.245  -1.557  -6.857
   14   HH12  ARG   2          2HH1      ARG   2  -6.832   0.026  -7.112
   15   HH21  ARG   2          1HH2      ARG   2  -8.314   0.328  -3.934
   16   HH22  ARG   2          2HH2      ARG   2  -8.056   1.137  -5.436
   17    H    RVJ   3           H        AZA   3  -2.391  -3.348  -0.102
   18    HA   RVJ   3           HA       AZA   3  -1.268  -0.691  -0.346
   19    HB3  RVJ   3           HB3      AZA   3  -1.225  -2.197   2.287
   20    HB2  RVJ   3           HB2      AZA   3  -2.176  -0.782   1.967
   21    H    THR   4           H        THR   4   0.261  -1.050  -1.684
   22    HA   THR   4           HA       THR   4   1.801  -3.478  -1.605
   23    HB   THR   4           HB       THR   4   2.237  -1.021  -3.285
   24    HG1  THR   4           HG3      THR   4   0.794  -2.106  -4.797
   25   HG21  THR   4          HG21      THR   4   2.859  -3.949  -3.771
   26   HG22  THR   4          HG22      THR   4   4.036  -2.704  -3.362
   27   HG23  THR   4          HG23      THR   4   3.184  -2.638  -4.905
   28    H    LYS   5           H        LYS   5   3.768  -3.666  -0.680
   29    HA   LYS   5           HA       LYS   5   4.599  -1.537   1.057
   30    HB2  LYS   5           HB2      LYS   5   5.492  -4.389   0.774
   31    HB3  LYS   5           HB3      LYS   5   6.054  -3.285   2.025
   32    HG2  LYS   5           HG2      LYS   5   3.921  -3.130   3.004
   33    HG3  LYS   5           HG3      LYS   5   3.145  -3.874   1.607
   34    HD2  LYS   5           HD2      LYS   5   4.200  -5.926   2.054
   35    HD3  LYS   5           HD3      LYS   5   5.093  -5.264   3.440
   36    HE2  LYS   5           HE2      LYS   5   2.909  -4.752   4.523
   37    HE3  LYS   5           HE3      LYS   5   2.083  -5.507   3.167
   38    HZ1  LYS   5           HZ1      LYS   5   3.922  -6.894   5.050
   39    HZ2  LYS   5           HZ2      LYS   5   3.098  -7.621   3.770
   40    HZ3  LYS   5           HZ3      LYS   5   2.245  -6.980   5.059
   41    H    SER   6           H        SER   6   5.283  -1.989  -1.987
   42    HA   SER   6           HA       SER   6   8.160  -1.686  -1.994
   43    HB2  SER   6           HB2      SER   6   6.811  -2.673  -3.933
   44    HB3  SER   6           HB3      SER   6   6.177  -1.041  -4.180
   45    HG   SER   6           HG       SER   6   8.908  -1.773  -4.286
   46    H    ILE   7           H        ILE   7   9.184   0.334  -2.271
   47    HA   ILE   7           HA       ILE   7   7.478   2.483  -1.299
   48    HB   ILE   7           HB       ILE   7   9.501   3.729  -0.652
   49   HG12  ILE   7          HG12      ILE   7  11.060   1.307  -1.594
   50   HG13  ILE   7          HG13      ILE   7  11.027   2.859  -2.430
   51   HG21  ILE   7          HG21      ILE   7   9.450   0.881   0.326
   52   HG22  ILE   7          HG22      ILE   7   8.518   2.229   0.973
   53   HG23  ILE   7          HG23      ILE   7  10.275   2.210   1.132
   54   HD11  ILE   7          HD11      ILE   7  12.078   3.901  -0.474
   55   HD12  ILE   7          HD12      ILE   7  13.059   2.593  -1.134
   56   HD13  ILE   7          HD13      ILE   7  12.113   2.332   0.331
   57    HA   PRO   8           HA       PRO   8   7.372   4.650  -1.068
   58    HB2  PRO   8           HB2      PRO   8   5.534   6.381  -2.028
   59    HB3  PRO   8           HB3      PRO   8   7.254   6.784  -1.980
   60    HG2  PRO   8           HG2      PRO   8   5.600   5.822  -4.276
   61    HG3  PRO   8           HG3      PRO   8   6.821   7.106  -4.238
   62    HD2  PRO   8           HD2      PRO   8   7.319   4.588  -5.167
   63    HD3  PRO   8           HD3      PRO   8   8.562   5.617  -4.433
   64    HA   PRO   9           HA       PRO   9   4.129   1.646  -1.097
   65    HB2  PRO   9           HB2      PRO   9   3.187   1.959   1.409
   66    HB3  PRO   9           HB3      PRO   9   4.745   1.201   1.062
   67    HG2  PRO   9           HG2      PRO   9   4.138   3.991   1.908
   68    HG3  PRO   9           HG3      PRO   9   5.398   2.896   2.514
   69    HD2  PRO   9           HD2      PRO   9   5.942   4.834   0.698
   70    HD3  PRO   9           HD3      PRO   9   6.790   3.277   0.700
   71    H    ILE  10           H        ILE  10   2.262   1.828  -2.122
   72    HA   ILE  10           HA       ILE  10   0.590   4.089  -1.582
   73    HB   ILE  10           HB       ILE  10  -0.552   3.277  -3.650
   74   HG12  ILE  10          HG12      ILE  10   1.972   1.630  -4.005
   75   HG13  ILE  10          HG13      ILE  10   0.358   0.989  -3.736
   76   HG21  ILE  10          HG21      ILE  10   2.316   4.207  -3.873
   77   HG22  ILE  10          HG22      ILE  10   0.897   5.232  -3.666
   78   HG23  ILE  10          HG23      ILE  10   1.123   4.331  -5.167
   79   HD11  ILE  10          HD11      ILE  10   1.252   2.563  -6.144
   80   HD12  ILE  10          HD12      ILE  10  -0.357   1.884  -5.892
   81   HD13  ILE  10          HD13      ILE  10   1.035   0.815  -6.070
   82    H1A  2AG  11           HD       PRG  11   0.934   2.714   2.366
   83    HB2  2AG  11           HB2      PRG  11  -1.719   2.768   2.295
   84    HB3  2AG  11           HB3      PRG  11  -2.591   1.247   2.262
   85    HA   2AG  11           HA       PRG  11  -2.159   1.073  -0.167
   86    H    2AG  11           H        PRG  11  -0.953   3.719  -0.155
   87    H    PHE  12           H        PHE  12  -4.127   0.918  -0.446
   88    HA   PHE  12           HA       PHE  12  -5.833   3.297  -0.487
   89    HB2  PHE  12           HB2      PHE  12  -6.164   0.638  -1.920
   90    HB3  PHE  12           HB3      PHE  12  -7.137   2.084  -2.160
   91    HD1  PHE  12           HD1      PHE  12  -6.106   4.080  -3.224
   92    HD2  PHE  12           HD2      PHE  12  -4.103   0.338  -3.060
   93    HE1  PHE  12           HE3      PHE  12  -4.569   4.833  -4.990
   94    HE2  PHE  12           HE2      PHE  12  -2.564   1.073  -4.827
   95    HZ   PHE  12           HZ       PHE  12  -2.790   3.325  -5.793
   96    HA   PRO  13           HA       PRO  13  -7.793   1.701   3.091
   97    HB2  PRO  13           HB2      PRO  13 -10.348   2.597   2.777
   98    HB3  PRO  13           HB3      PRO  13  -8.997   3.636   3.239
   99    HG2  PRO  13           HG2      PRO  13 -10.233   3.220   0.546
  100    HG3  PRO  13           HG3      PRO  13  -9.715   4.731   1.315
  101    HD2  PRO  13           HD2      PRO  13  -8.216   3.509  -0.552
  102    HD3  PRO  13           HD3      PRO  13  -7.481   4.360   0.817
  103    H    ASP  14           H        ASP  14  -8.862   0.668   0.078
  104    HA   ASP  14           HA       ASP  14 -10.890  -1.129   1.029
  105    HB2  ASP  14           HB2      ASP  14 -11.014  -1.974  -1.256
  106    HB3  ASP  14           HB3      ASP  14 -11.030  -0.215  -1.246
  Start of MODEL    2
    1    H1   GLY   1           H        GLY   1  -7.378  -1.234   0.899
    2    HA2  GLY   1           HA2      GLY   1  -7.148  -2.935   2.736
    3    HA3  GLY   1           HA3      GLY   1  -7.858  -4.066   1.585
    4    H    ARG   2           H        ARG   2  -6.387  -2.470  -0.474
    5    HA   ARG   2           HA       ARG   2  -4.011  -4.090  -0.398
    6    HB2  ARG   2           HB2      ARG   2  -5.307  -2.449  -2.551
    7    HB3  ARG   2           HB3      ARG   2  -3.738  -3.222  -2.753
    8    HG2  ARG   2           HG2      ARG   2  -4.708  -5.398  -2.393
    9    HG3  ARG   2           HG3      ARG   2  -6.266  -4.668  -2.024
   10    HD2  ARG   2           HD2      ARG   2  -4.886  -4.274  -4.658
   11    HD3  ARG   2           HD3      ARG   2  -5.989  -5.617  -4.344
   12    HE   ARG   2           HE       ARG   2  -7.497  -3.611  -3.590
   13   HH11  ARG   2          1HH1      ARG   2  -5.404  -3.662  -6.427
   14   HH12  ARG   2          2HH1      ARG   2  -6.522  -2.856  -7.435
   15   HH21  ARG   2          1HH2      ARG   2  -9.001  -2.555  -4.912
   16   HH22  ARG   2          2HH2      ARG   2  -8.660  -2.210  -6.554
   17    H    RVJ   3           H        AZA   3  -2.054  -3.419  -0.134
   18    HA   RVJ   3           HA       AZA   3  -1.294  -0.666  -0.336
   19    HB3  RVJ   3           HB3      AZA   3  -0.981  -2.209   2.259
   20    HB2  RVJ   3           HB2      AZA   3  -2.071  -0.884   2.032
   21    H    THR   4           H        THR   4   0.571  -0.635  -1.367
   22    HA   THR   4           HA       THR   4   1.923  -3.105  -1.820
   23    HB   THR   4           HB       THR   4   3.390  -1.572  -3.244
   24    HG1  THR   4           HG3      THR   4   2.536   0.470  -3.654
   25   HG21  THR   4          HG21      THR   4   0.420  -1.707  -3.786
   26   HG22  THR   4          HG22      THR   4   1.607  -2.942  -4.210
   27   HG23  THR   4          HG23      THR   4   1.655  -1.362  -4.992
   28    H    LYS   5           H        LYS   5   3.906  -3.709  -1.037
   29    HA   LYS   5           HA       LYS   5   5.071  -2.060   1.027
   30    HB2  LYS   5           HB2      LYS   5   6.467  -4.032   1.474
   31    HB3  LYS   5           HB3      LYS   5   4.756  -4.420   1.483
   32    HG2  LYS   5           HG2      LYS   5   5.123  -5.133  -0.969
   33    HG3  LYS   5           HG3      LYS   5   6.832  -5.105  -0.542
   34    HD2  LYS   5           HD2      LYS   5   6.411  -6.653   1.295
   35    HD3  LYS   5           HD3      LYS   5   4.695  -6.618   0.857
   36    HE2  LYS   5           HE2      LYS   5   5.800  -8.635  -0.005
   37    HE3  LYS   5           HE3      LYS   5   5.165  -7.622  -1.290
   38    HZ1  LYS   5           HZ1      LYS   5   7.352  -8.442  -1.819
   39    HZ2  LYS   5           HZ2      LYS   5   8.008  -7.777  -0.432
   40    HZ3  LYS   5           HZ3      LYS   5   7.417  -6.769  -1.656
   41    H    SER   6           H        SER   6   5.264  -2.014  -2.113
   42    HA   SER   6           HA       SER   6   8.123  -1.729  -2.393
   43    HB2  SER   6           HB2      SER   6   5.899  -1.203  -4.383
   44    HB3  SER   6           HB3      SER   6   7.620  -1.389  -4.742
   45    HG   SER   6           HG       SER   6   6.823  -3.372  -5.117
   46    H    ILE   7           H        ILE   7   9.054   0.189  -1.946
   47    HA   ILE   7           HA       ILE   7   7.327   2.401  -1.273
   48    HB   ILE   7           HB       ILE   7   9.354   3.525  -0.405
   49   HG12  ILE   7          HG12      ILE   7  10.792   0.984  -1.229
   50   HG13  ILE   7          HG13      ILE   7  10.994   2.558  -1.989
   51   HG21  ILE   7          HG21      ILE   7   8.947   0.693   0.528
   52   HG22  ILE   7          HG22      ILE   7   8.061   2.112   1.080
   53   HG23  ILE   7          HG23      ILE   7   9.778   1.944   1.446
   54   HD11  ILE   7          HD11      ILE   7  12.832   2.040  -0.479
   55   HD12  ILE   7          HD12      ILE   7  11.693   1.863   0.856
   56   HD13  ILE   7          HD13      ILE   7  11.916   3.437   0.089
   57    HA   PRO   8           HA       PRO   8   7.445   4.684  -0.923
   58    HB2  PRO   8           HB2      PRO   8   5.777   6.328  -2.716
   59    HB3  PRO   8           HB3      PRO   8   6.853   6.852  -1.420
   60    HG2  PRO   8           HG2      PRO   8   7.468   7.281  -3.991
   61    HG3  PRO   8           HG3      PRO   8   8.710   6.881  -2.791
   62    HD2  PRO   8           HD2      PRO   8   7.391   5.091  -4.803
   63    HD3  PRO   8           HD3      PRO   8   9.113   5.223  -4.382
   64    HA   PRO   9           HA       PRO   9   4.150   1.811  -1.348
   65    HB2  PRO   9           HB2      PRO   9   3.063   1.979   1.090
   66    HB3  PRO   9           HB3      PRO   9   4.673   1.299   0.830
   67    HG2  PRO   9           HG2      PRO   9   3.898   4.023   1.766
   68    HG3  PRO   9           HG3      PRO   9   5.158   2.945   2.393
   69    HD2  PRO   9           HD2      PRO   9   5.682   5.010   0.683
   70    HD3  PRO   9           HD3      PRO   9   6.662   3.535   0.754
   71    H    ILE  10           H        ILE  10   2.009   1.676  -1.812
   72    HA   ILE  10           HA       ILE  10   0.395   4.127  -1.596
   73    HB   ILE  10           HB       ILE  10   0.220   2.011  -3.769
   74   HG12  ILE  10          HG12      ILE  10   1.316   4.816  -3.997
   75   HG13  ILE  10          HG13      ILE  10   2.313   3.367  -3.941
   76   HG21  ILE  10          HG21      ILE  10  -1.883   3.147  -3.284
   77   HG22  ILE  10          HG22      ILE  10  -1.267   3.629  -4.866
   78   HG23  ILE  10          HG23      ILE  10  -1.094   4.712  -3.484
   79   HD11  ILE  10          HD11      ILE  10   0.278   4.035  -6.055
   80   HD12  ILE  10          HD12      ILE  10   1.298   2.596  -6.022
   81   HD13  ILE  10          HD13      ILE  10   2.025   4.193  -6.213
   82    H1A  2AG  11           HD       PRG  11   0.687   2.883   2.361
   83    HB2  2AG  11           HB2      PRG  11  -1.945   2.667   2.359
   84    HB3  2AG  11           HB3      PRG  11  -2.668   1.074   2.256
   85    HA   2AG  11           HA       PRG  11  -2.357   1.042  -0.156
   86    H    2AG  11           H        PRG  11  -1.189   3.716  -0.111
   87    H    PHE  12           H        PHE  12  -4.399   1.002  -0.399
   88    HA   PHE  12           HA       PHE  12  -5.912   3.510  -0.105
   89    HB2  PHE  12           HB2      PHE  12  -6.435   1.097  -1.869
   90    HB3  PHE  12           HB3      PHE  12  -7.543   2.445  -1.688
   91    HD1  PHE  12           HD1      PHE  12  -4.722   1.143  -3.448
   92    HD2  PHE  12           HD2      PHE  12  -6.743   4.744  -2.416
   93    HE1  PHE  12           HE3      PHE  12  -3.604   2.302  -5.300
   94    HE2  PHE  12           HE2      PHE  12  -5.622   5.907  -4.272
   95    HZ   PHE  12           HZ       PHE  12  -4.054   4.683  -5.716
   96    HA   PRO  13           HA       PRO  13  -8.335   1.605   3.142
   97    HB2  PRO  13           HB2      PRO  13 -10.887   2.400   2.385
   98    HB3  PRO  13           HB3      PRO  13  -9.750   3.376   3.322
   99    HG2  PRO  13           HG2      PRO  13 -10.364   3.466   0.402
  100    HG3  PRO  13           HG3      PRO  13 -10.045   4.800   1.522
  101    HD2  PRO  13           HD2      PRO  13  -8.179   3.946  -0.203
  102    HD3  PRO  13           HD3      PRO  13  -7.749   4.500   1.427
  103    H    ASP  14           H        ASP  14  -8.805   0.974  -0.090
  104    HA   ASP  14           HA       ASP  14 -10.674  -1.024  -0.408
  105    HB2  ASP  14           HB2      ASP  14  -9.340  -0.023  -2.213
  106    HB3  ASP  14           HB3      ASP  14  -7.893  -0.786  -1.583
  Start of MODEL    3
    1    H1   GLY   1           H        GLY   1  -7.523  -0.984   0.999
    2    HA2  GLY   1           HA2      GLY   1  -6.573  -2.494   2.592
    3    HA3  GLY   1           HA3      GLY   1  -7.668  -3.740   2.003
    4    H    ARG   2           H        ARG   2  -5.644  -1.548   0.142
    5    HA   ARG   2           HA       ARG   2  -4.097  -3.854  -0.796
    6    HB2  ARG   2           HB2      ARG   2  -4.982  -1.563  -2.558
    7    HB3  ARG   2           HB3      ARG   2  -4.128  -3.007  -3.065
    8    HG2  ARG   2           HG2      ARG   2  -6.107  -4.356  -2.535
    9    HG3  ARG   2           HG3      ARG   2  -6.962  -2.892  -2.050
   10    HD2  ARG   2           HD2      ARG   2  -6.506  -2.014  -4.380
   11    HD3  ARG   2           HD3      ARG   2  -5.975  -3.642  -4.793
   12    HE   ARG   2           HE       ARG   2  -8.558  -3.479  -3.548
   13   HH11  ARG   2          1HH1      ARG   2  -6.831  -3.604  -6.640
   14   HH12  ARG   2          2HH1      ARG   2  -8.223  -3.953  -7.557
   15   HH21  ARG   2          1HH2      ARG   2 -10.464  -3.940  -4.828
   16   HH22  ARG   2          2HH2      ARG   2 -10.314  -4.127  -6.525
   17    H    RVJ   3           H        AZA   3  -2.148  -3.409   0.067
   18    HA   RVJ   3           HA       AZA   3  -1.133  -0.691  -0.254
   19    HB3  RVJ   3           HB3      AZA   3  -0.583  -2.456   2.141
   20    HB2  RVJ   3           HB2      AZA   3  -1.740  -1.174   2.150
   21    H    THR   4           H        THR   4   0.764  -0.427  -1.065
   22    HA   THR   4           HA       THR   4   2.009  -2.736  -2.261
   23    HB   THR   4           HB       THR   4   2.960   0.131  -2.344
   24    HG1  THR   4           HG3      THR   4   0.600  -0.735  -3.078
   25   HG21  THR   4          HG21      THR   4   4.471  -1.589  -3.299
   26   HG22  THR   4          HG22      THR   4   3.831  -0.527  -4.545
   27   HG23  THR   4          HG23      THR   4   3.158  -2.142  -4.337
   28    H    LYS   5           H        LYS   5   3.901  -3.654  -1.614
   29    HA   LYS   5           HA       LYS   5   4.937  -2.943   1.001
   30    HB2  LYS   5           HB2      LYS   5   5.338  -5.372  -0.769
   31    HB3  LYS   5           HB3      LYS   5   6.261  -5.114   0.694
   32    HG2  LYS   5           HG2      LYS   5   4.469  -6.672   1.124
   33    HG3  LYS   5           HG3      LYS   5   4.167  -5.178   1.998
   34    HD2  LYS   5           HD2      LYS   5   2.578  -4.501   0.233
   35    HD3  LYS   5           HD3      LYS   5   2.868  -6.031  -0.590
   36    HE2  LYS   5           HE2      LYS   5   0.803  -6.099   0.728
   37    HE3  LYS   5           HE3      LYS   5   1.997  -7.247   1.329
   38    HZ1  LYS   5           HZ1      LYS   5   1.504  -4.566   2.516
   39    HZ2  LYS   5           HZ2      LYS   5   2.504  -5.790   3.145
   40    HZ3  LYS   5           HZ3      LYS   5   0.840  -6.006   3.069
   41    H    SER   6           H        SER   6   5.499  -1.811  -1.843
   42    HA   SER   6           HA       SER   6   8.367  -1.572  -1.435
   43    HB2  SER   6           HB2      SER   6   7.737  -2.923  -3.492
   44    HB3  SER   6           HB3      SER   6   6.908  -1.493  -4.101
   45    HG   SER   6           HG       SER   6   9.624  -1.406  -3.342
   46    H    ILE   7           H        ILE   7   9.130   0.587  -1.954
   47    HA   ILE   7           HA       ILE   7   7.041   2.525  -1.363
   48    HB   ILE   7           HB       ILE   7   8.836   4.041  -0.685
   49   HG12  ILE   7          HG12      ILE   7  10.731   1.774  -1.381
   50   HG13  ILE   7          HG13      ILE   7  10.537   3.235  -2.340
   51   HG21  ILE   7          HG21      ILE   7   9.651   2.715   1.247
   52   HG22  ILE   7          HG22      ILE   7   9.061   1.254   0.442
   53   HG23  ILE   7          HG23      ILE   7   7.924   2.485   0.953
   54   HD11  ILE   7          HD11      ILE   7  11.539   3.085   0.489
   55   HD12  ILE   7          HD12      ILE   7  11.336   4.562  -0.450
   56   HD13  ILE   7          HD13      ILE   7  12.519   3.352  -0.955
   57    HA   PRO   8           HA       PRO   8   6.961   4.958  -1.366
   58    HB2  PRO   8           HB2      PRO   8   4.959   5.993  -3.275
   59    HB3  PRO   8           HB3      PRO   8   6.022   6.891  -2.188
   60    HG2  PRO   8           HG2      PRO   8   6.420   6.902  -4.834
   61    HG3  PRO   8           HG3      PRO   8   7.777   6.896  -3.694
   62    HD2  PRO   8           HD2      PRO   8   6.606   4.610  -5.243
   63    HD3  PRO   8           HD3      PRO   8   8.313   5.038  -4.991
   64    HA   PRO   9           HA       PRO   9   3.932   1.777  -1.154
   65    HB2  PRO   9           HB2      PRO   9   3.314   1.900   1.426
   66    HB3  PRO   9           HB3      PRO   9   4.902   1.363   0.860
   67    HG2  PRO   9           HG2      PRO   9   4.063   3.976   1.999
   68    HG3  PRO   9           HG3      PRO   9   5.565   3.080   2.294
   69    HD2  PRO   9           HD2      PRO   9   5.308   5.203   0.497
   70    HD3  PRO   9           HD3      PRO   9   6.592   3.983   0.448
   71    H    ILE  10           H        ILE  10   2.154   2.153  -2.167
   72    HA   ILE  10           HA       ILE  10   0.335   4.214  -1.198
   73    HB   ILE  10           HB       ILE  10   0.095   2.515  -3.708
   74   HG12  ILE  10          HG12      ILE  10   0.992   5.388  -3.381
   75   HG13  ILE  10          HG13      ILE  10   2.039   4.038  -3.800
   76   HG21  ILE  10          HG21      ILE  10  -1.431   4.960  -2.796
   77   HG22  ILE  10          HG22      ILE  10  -2.060   3.315  -2.871
   78   HG23  ILE  10          HG23      ILE  10  -1.626   4.161  -4.356
   79   HD11  ILE  10          HD11      ILE  10   1.495   5.361  -5.754
   80   HD12  ILE  10          HD12      ILE  10  -0.227   5.125  -5.455
   81   HD13  ILE  10          HD13      ILE  10   0.789   3.750  -5.889
   82    H1A  2AG  11           HD       PRG  11   0.879   2.702   2.531
   83    HB2  2AG  11           HB2      PRG  11  -1.783   2.399   2.598
   84    HB3  2AG  11           HB3      PRG  11  -2.448   0.782   2.439
   85    HA   2AG  11           HA       PRG  11  -2.152   0.890  -0.001
   86    H    2AG  11           H        PRG  11  -1.144   3.608   0.226
   87    H    PHE  12           H        PHE  12  -3.996   0.846  -0.649
   88    HA   PHE  12           HA       PHE  12  -5.741   3.142  -0.657
   89    HB2  PHE  12           HB2      PHE  12  -6.074   0.344  -1.753
   90    HB3  PHE  12           HB3      PHE  12  -7.219   1.651  -1.992
   91    HD1  PHE  12           HD1      PHE  12  -3.897   0.351  -2.877
   92    HD2  PHE  12           HD2      PHE  12  -6.767   3.423  -3.548
   93    HE1  PHE  12           HE3      PHE  12  -2.681   1.041  -4.890
   94    HE2  PHE  12           HE2      PHE  12  -5.552   4.119  -5.562
   95    HZ   PHE  12           HZ       PHE  12  -3.507   2.937  -6.240
   96    HA   PRO  13           HA       PRO  13  -8.227   2.010   2.935
   97    HB2  PRO  13           HB2      PRO  13 -10.541   2.908   1.298
   98    HB3  PRO  13           HB3      PRO  13 -10.037   3.458   2.894
   99    HG2  PRO  13           HG2      PRO  13  -9.629   5.003   0.796
  100    HG3  PRO  13           HG3      PRO  13  -8.367   4.845   2.032
  101    HD2  PRO  13           HD2      PRO  13  -8.544   3.555  -0.668
  102    HD3  PRO  13           HD3      PRO  13  -7.149   4.298   0.145
  103    H    ASP  14           H        ASP  14  -8.799   0.842  -0.163
  104    HA   ASP  14           HA       ASP  14 -10.874  -1.058   0.285
  105    HB2  ASP  14           HB2      ASP  14 -10.206  -0.291  -1.963
  106    HB3  ASP  14           HB3      ASP  14  -8.649  -1.085  -1.767
  Start of MODEL    4
    1    H1   GLY   1           H        GLY   1  -7.743  -0.722   1.042
    2    HA2  GLY   1           HA2      GLY   1  -6.461  -2.039   2.617
    3    HA3  GLY   1           HA3      GLY   1  -7.058  -3.472   1.749
    4    H    ARG   2           H        ARG   2  -5.107  -4.124   0.902
    5    HA   ARG   2           HA       ARG   2  -3.459  -4.247  -0.628
    6    HB2  ARG   2           HB2      ARG   2  -5.049  -2.186  -2.105
    7    HB3  ARG   2           HB3      ARG   2  -3.745  -3.171  -2.759
    8    HG2  ARG   2           HG2      ARG   2  -5.071  -5.177  -2.524
    9    HG3  ARG   2           HG3      ARG   2  -6.343  -4.271  -1.698
   10    HD2  ARG   2           HD2      ARG   2  -5.446  -3.808  -4.538
   11    HD3  ARG   2           HD3      ARG   2  -6.874  -4.726  -4.067
   12    HE   ARG   2           HE       ARG   2  -7.590  -2.562  -2.970
   13   HH11  ARG   2          1HH1      ARG   2  -5.506  -2.563  -5.850
   14   HH12  ARG   2          2HH1      ARG   2  -6.163  -1.142  -6.487
   15   HH21  ARG   2          1HH2      ARG   2  -8.511  -0.526  -3.912
   16   HH22  ARG   2          2HH2      ARG   2  -7.856   0.013  -5.382
   17    H    RVJ   3           H        AZA   3  -2.077  -3.386   0.754
   18    HA   RVJ   3           HA       AZA   3  -1.137  -0.716   0.054
   19    HB3  RVJ   3           HB3      AZA   3  -0.489  -2.233   2.590
   20    HB2  RVJ   3           HB2      AZA   3  -1.787  -1.102   2.496
   21    H    THR   4           H        THR   4   0.715  -0.583  -0.964
   22    HA   THR   4           HA       THR   4   1.816  -3.068  -1.809
   23    HB   THR   4           HB       THR   4   3.167  -1.599  -3.340
   24    HG1  THR   4           HG3      THR   4   2.881   0.530  -3.319
   25   HG21  THR   4          HG21      THR   4   1.212  -0.857  -4.671
   26   HG22  THR   4          HG22      THR   4   0.176  -1.149  -3.276
   27   HG23  THR   4          HG23      THR   4   1.010  -2.495  -4.051
   28    H    LYS   5           H        LYS   5   4.020  -3.633  -1.728
   29    HA   LYS   5           HA       LYS   5   5.365  -2.599   0.636
   30    HB2  LYS   5           HB2      LYS   5   5.980  -5.076  -0.983
   31    HB3  LYS   5           HB3      LYS   5   6.753  -4.620   0.523
   32    HG2  LYS   5           HG2      LYS   5   3.878  -5.459   0.134
   33    HG3  LYS   5           HG3      LYS   5   5.145  -6.361   0.961
   34    HD2  LYS   5           HD2      LYS   5   5.296  -4.444   2.586
   35    HD3  LYS   5           HD3      LYS   5   3.877  -3.772   1.774
   36    HE2  LYS   5           HE2      LYS   5   3.170  -4.962   3.773
   37    HE3  LYS   5           HE3      LYS   5   2.612  -5.817   2.342
   38    HZ1  LYS   5           HZ1      LYS   5   4.439  -7.384   2.601
   39    HZ2  LYS   5           HZ2      LYS   5   3.532  -7.327   4.013
   40    HZ3  LYS   5           HZ3      LYS   5   5.012  -6.548   3.940
   41    H    SER   6           H        SER   6   5.305  -2.102  -2.503
   42    HA   SER   6           HA       SER   6   8.124  -1.629  -2.923
   43    HB2  SER   6           HB2      SER   6   5.717  -1.009  -4.649
   44    HB3  SER   6           HB3      SER   6   7.401  -0.901  -5.169
   45    HG   SER   6           HG       SER   6   7.473  -3.180  -4.396
   46    H    ILE   7           H        ILE   7   9.032   0.191  -2.174
   47    HA   ILE   7           HA       ILE   7   7.334   2.301  -1.201
   48    HB   ILE   7           HB       ILE   7   9.318   3.368  -0.292
   49   HG12  ILE   7          HG12      ILE   7  10.944   1.147  -1.564
   50   HG13  ILE   7          HG13      ILE   7  10.862   2.797  -2.171
   51   HG21  ILE   7          HG21      ILE   7  10.045   1.600   1.252
   52   HG22  ILE   7          HG22      ILE   7   9.286   0.403   0.202
   53   HG23  ILE   7          HG23      ILE   7   8.295   1.614   1.015
   54   HD11  ILE   7          HD11      ILE   7  11.872   3.617  -0.116
   55   HD12  ILE   7          HD12      ILE   7  12.895   2.393  -0.872
   56   HD13  ILE   7          HD13      ILE   7  11.908   1.978   0.530
   57    HA   PRO   8           HA       PRO   8   7.398   4.429  -0.618
   58    HB2  PRO   8           HB2      PRO   8   5.672   6.383  -1.416
   59    HB3  PRO   8           HB3      PRO   8   7.383   6.694  -1.105
   60    HG2  PRO   8           HG2      PRO   8   5.973   6.292  -3.706
   61    HG3  PRO   8           HG3      PRO   8   7.265   7.428  -3.291
   62    HD2  PRO   8           HD2      PRO   8   7.708   5.104  -4.637
   63    HD3  PRO   8           HD3      PRO   8   8.920   5.855  -3.590
   64    HA   PRO   9           HA       PRO   9   3.960   1.791  -1.395
   65    HB2  PRO   9           HB2      PRO   9   2.988   1.526   1.059
   66    HB3  PRO   9           HB3      PRO   9   4.600   0.915   0.655
   67    HG2  PRO   9           HG2      PRO   9   3.811   3.450   2.012
   68    HG3  PRO   9           HG3      PRO   9   5.076   2.295   2.485
   69    HD2  PRO   9           HD2      PRO   9   5.624   4.585   1.083
   70    HD3  PRO   9           HD3      PRO   9   6.583   3.100   0.924
   71    H    ILE  10           H        ILE  10   1.873   1.925  -1.907
   72    HA   ILE  10           HA       ILE  10   0.336   4.219  -0.952
   73    HB   ILE  10           HB       ILE  10   0.249   2.884  -3.695
   74   HG12  ILE  10          HG12      ILE  10   0.291   5.283  -4.528
   75   HG13  ILE  10          HG13      ILE  10   0.600   5.778  -2.875
   76   HG21  ILE  10          HG21      ILE  10  -2.040   3.034  -2.954
   77   HG22  ILE  10          HG22      ILE  10  -1.748   4.208  -4.239
   78   HG23  ILE  10          HG23      ILE  10  -1.826   4.739  -2.559
   79   HD11  ILE  10          HD11      ILE  10   2.630   5.750  -4.173
   80   HD12  ILE  10          HD12      ILE  10   2.372   4.057  -4.590
   81   HD13  ILE  10          HD13      ILE  10   2.700   4.513  -2.919
   82    H1A  2AG  11           HD       PRG  11   0.388   3.083   2.449
   83    HB2  2AG  11           HB2      PRG  11  -2.314   2.439   2.500
   84    HB3  2AG  11           HB3      PRG  11  -2.747   0.754   2.269
   85    HA   2AG  11           HA       PRG  11  -2.315   0.901  -0.120
   86    H    2AG  11           H        PRG  11  -1.409   3.655   0.180
   87    H    PHE  12           H        PHE  12  -4.415   0.641  -0.398
   88    HA   PHE  12           HA       PHE  12  -5.943   3.071  -0.896
   89    HB2  PHE  12           HB2      PHE  12  -6.456   0.182  -1.653
   90    HB3  PHE  12           HB3      PHE  12  -7.463   1.536  -2.133
   91    HD1  PHE  12           HD1      PHE  12  -4.251  -0.163  -2.635
   92    HD2  PHE  12           HD2      PHE  12  -6.756   3.048  -3.877
   93    HE1  PHE  12           HE3      PHE  12  -2.883   0.119  -4.647
   94    HE2  PHE  12           HE2      PHE  12  -5.383   3.339  -5.891
   95    HZ   PHE  12           HZ       PHE  12  -3.450   1.876  -6.286
   96    HA   PRO  13           HA       PRO  13  -8.795   2.380   2.500
   97    HB2  PRO  13           HB2      PRO  13 -11.155   2.846   0.827
   98    HB3  PRO  13           HB3      PRO  13 -10.487   3.858   2.108
   99    HG2  PRO  13           HG2      PRO  13 -10.380   4.589  -0.482
  100    HG3  PRO  13           HG3      PRO  13  -9.103   5.003   0.675
  101    HD2  PRO  13           HD2      PRO  13  -9.166   2.815  -1.368
  102    HD3  PRO  13           HD3      PRO  13  -7.847   3.935  -0.953
  103    H    ASP  14           H        ASP  14  -8.920   0.504  -0.256
  104    HA   ASP  14           HA       ASP  14 -11.003  -1.372   0.605
  105    HB2  ASP  14           HB2      ASP  14  -8.923  -1.867  -1.530
  106    HB3  ASP  14           HB3      ASP  14 -10.493  -2.625  -1.363
  Start of MODEL    5
    1    H1   GLY   1           H        GLY   1  -7.356  -1.004   0.818
    2    HA2  GLY   1           HA2      GLY   1  -6.936  -2.591   2.753
    3    HA3  GLY   1           HA3      GLY   1  -7.557  -3.815   1.655
    4    H    ARG   2           H        ARG   2  -6.407  -2.600  -0.656
    5    HA   ARG   2           HA       ARG   2  -3.979  -3.992  -0.749
    6    HB2  ARG   2           HB2      ARG   2  -4.946  -1.825  -2.574
    7    HB3  ARG   2           HB3      ARG   2  -3.600  -2.893  -2.915
    8    HG2  ARG   2           HG2      ARG   2  -5.150  -4.816  -2.861
    9    HG3  ARG   2           HG3      ARG   2  -6.483  -3.684  -2.611
   10    HD2  ARG   2           HD2      ARG   2  -6.324  -4.294  -4.959
   11    HD3  ARG   2           HD3      ARG   2  -5.956  -2.585  -4.715
   12    HE   ARG   2           HE       ARG   2  -3.895  -4.653  -5.084
   13   HH11  ARG   2          1HH1      ARG   2  -5.225  -1.449  -5.909
   14   HH12  ARG   2          2HH1      ARG   2  -3.845  -1.002  -6.817
   15   HH21  ARG   2          1HH2      ARG   2  -2.086  -4.015  -6.408
   16   HH22  ARG   2          2HH2      ARG   2  -2.082  -2.460  -7.116
   17    H    RVJ   3           H        AZA   3  -2.367  -3.429   0.484
   18    HA   RVJ   3           HA       AZA   3  -1.217  -0.795   0.021
   19    HB3  RVJ   3           HB3      AZA   3  -1.099  -2.218   2.695
   20    HB2  RVJ   3           HB2      AZA   3  -2.165  -0.896   2.362
   21    H    THR   4           H        THR   4   0.383  -1.065  -1.199
   22    HA   THR   4           HA       THR   4   1.633  -3.655  -1.412
   23    HB   THR   4           HB       THR   4   2.191  -1.142  -3.002
   24    HG1  THR   4           HG3      THR   4  -0.065  -2.454  -2.774
   25   HG21  THR   4          HG21      THR   4   3.804  -2.997  -3.300
   26   HG22  THR   4          HG22      THR   4   2.838  -2.749  -4.753
   27   HG23  THR   4          HG23      THR   4   2.469  -4.089  -3.668
   28    H    LYS   5           H        LYS   5   3.798  -4.112  -1.012
   29    HA   LYS   5           HA       LYS   5   5.258  -2.138   0.472
   30    HB2  LYS   5           HB2      LYS   5   5.559  -5.143   0.269
   31    HB3  LYS   5           HB3      LYS   5   6.823  -4.132   0.941
   32    HG2  LYS   5           HG2      LYS   5   5.518  -5.083   2.728
   33    HG3  LYS   5           HG3      LYS   5   5.252  -3.347   2.679
   34    HD2  LYS   5           HD2      LYS   5   3.134  -3.796   1.402
   35    HD3  LYS   5           HD3      LYS   5   3.397  -5.514   1.677
   36    HE2  LYS   5           HE2      LYS   5   3.313  -5.135   4.096
   37    HE3  LYS   5           HE3      LYS   5   3.062  -3.416   3.818
   38    HZ1  LYS   5           HZ1      LYS   5   1.222  -5.623   3.078
   39    HZ2  LYS   5           HZ2      LYS   5   1.005  -4.053   2.575
   40    HZ3  LYS   5           HZ3      LYS   5   0.951  -4.416   4.219
   41    H    SER   6           H        SER   6   5.614  -0.944  -1.214
   42    HA   SER   6           HA       SER   6   8.066  -1.457  -2.584
   43    HB2  SER   6           HB2      SER   6   5.530  -0.498  -3.991
   44    HB3  SER   6           HB3      SER   6   7.126  -0.649  -4.724
   45    HG   SER   6           HG       SER   6   6.401  -2.927  -3.555
   46    H    ILE   7           H        ILE   7   8.837   0.810  -3.167
   47    HA   ILE   7           HA       ILE   7   7.455   2.662  -1.392
   48    HB   ILE   7           HB       ILE   7   9.676   3.683  -0.868
   49   HG12  ILE   7          HG12      ILE   7  10.758   1.208  -2.260
   50   HG13  ILE   7          HG13      ILE   7  10.895   2.848  -2.877
   51   HG21  ILE   7          HG21      ILE   7   8.620   2.134   0.674
   52   HG22  ILE   7          HG22      ILE   7  10.361   1.822   0.679
   53   HG23  ILE   7          HG23      ILE   7   9.262   0.764  -0.209
   54   HD11  ILE   7          HD11      ILE   7  12.972   2.106  -1.871
   55   HD12  ILE   7          HD12      ILE   7  12.140   1.782  -0.351
   56   HD13  ILE   7          HD13      ILE   7  12.280   3.437  -0.943
   57    HA   PRO   8           HA       PRO   8   7.197   4.802  -0.903
   58    HB2  PRO   8           HB2      PRO   8   5.087   6.353  -1.611
   59    HB3  PRO   8           HB3      PRO   8   6.741   6.978  -1.558
   60    HG2  PRO   8           HG2      PRO   8   5.156   6.020  -3.916
   61    HG3  PRO   8           HG3      PRO   8   6.159   7.475  -3.769
   62    HD2  PRO   8           HD2      PRO   8   7.049   5.241  -4.989
   63    HD3  PRO   8           HD3      PRO   8   8.128   6.296  -4.058
   64    HA   PRO   9           HA       PRO   9   4.132   1.639  -0.877
   65    HB2  PRO   9           HB2      PRO   9   3.212   1.829   1.633
   66    HB3  PRO   9           HB3      PRO   9   4.846   1.259   1.265
   67    HG2  PRO   9           HG2      PRO   9   3.927   3.941   2.168
   68    HG3  PRO   9           HG3      PRO   9   5.334   3.011   2.720
   69    HD2  PRO   9           HD2      PRO   9   5.519   5.045   0.891
   70    HD3  PRO   9           HD3      PRO   9   6.632   3.662   0.933
   71    H    ILE  10           H        ILE  10   2.383   1.827  -1.996
   72    HA   ILE  10           HA       ILE  10   0.507   3.959  -1.411
   73    HB   ILE  10           HB       ILE  10   0.607   2.026  -3.749
   74   HG12  ILE  10          HG12      ILE  10   1.258   4.980  -3.583
   75   HG13  ILE  10          HG13      ILE  10   2.443   3.688  -3.696
   76   HG21  ILE  10          HG21      ILE  10  -1.126   3.458  -4.746
   77   HG22  ILE  10          HG22      ILE  10  -1.177   4.421  -3.269
   78   HG23  ILE  10          HG23      ILE  10  -1.691   2.734  -3.239
   79   HD11  ILE  10          HD11      ILE  10   2.104   4.790  -5.825
   80   HD12  ILE  10          HD12      ILE  10   0.387   4.388  -5.772
   81   HD13  ILE  10          HD13      ILE  10   1.590   3.104  -5.902
   82    H1A  2AG  11           HD       PRG  11   0.673   2.854   2.534
   83    HB2  2AG  11           HB2      PRG  11  -1.984   2.693   2.367
   84    HB3  2AG  11           HB3      PRG  11  -2.734   1.109   2.330
   85    HA   2AG  11           HA       PRG  11  -2.200   0.888  -0.052
   86    H    2AG  11           H        PRG  11  -1.070   3.570  -0.069
   87    H    PHE  12           H        PHE  12  -4.117   0.804  -0.593
   88    HA   PHE  12           HA       PHE  12  -5.746   3.222  -0.757
   89    HB2  PHE  12           HB2      PHE  12  -6.205   0.422  -1.828
   90    HB3  PHE  12           HB3      PHE  12  -7.285   1.780  -2.080
   91    HD1  PHE  12           HD1      PHE  12  -4.192   0.158  -3.094
   92    HD2  PHE  12           HD2      PHE  12  -6.625   3.620  -3.568
   93    HE1  PHE  12           HE3      PHE  12  -2.981   0.728  -5.153
   94    HE2  PHE  12           HE2      PHE  12  -5.412   4.193  -5.628
   95    HZ   PHE  12           HZ       PHE  12  -3.590   2.744  -6.425
   96    HA   PRO  13           HA       PRO  13  -8.176   2.007   2.816
   97    HB2  PRO  13           HB2      PRO  13 -10.634   2.964   2.044
   98    HB3  PRO  13           HB3      PRO  13  -9.344   3.991   2.678
   99    HG2  PRO  13           HG2      PRO  13 -10.131   3.480  -0.163
  100    HG3  PRO  13           HG3      PRO  13  -9.690   5.010   0.616
  101    HD2  PRO  13           HD2      PRO  13  -7.955   3.666  -0.923
  102    HD3  PRO  13           HD3      PRO  13  -7.422   4.546   0.520
  103    H    ASP  14           H        ASP  14  -8.640   0.878  -0.272
  104    HA   ASP  14           HA       ASP  14 -10.752  -0.998   0.031
  105    HB2  ASP  14           HB2      ASP  14 -10.049  -0.486  -2.190
  106    HB3  ASP  14           HB3      ASP  14  -8.371  -0.867  -1.821
  Start of MODEL    6
    1    H1   GLY   1           H        GLY   1  -7.734  -1.271   0.605
    2    HA2  GLY   1           HA2      GLY   1  -7.495  -3.379   1.856
    3    HA3  GLY   1           HA3      GLY   1  -8.556  -4.101   0.644
    4    H    ARG   2           H        ARG   2  -5.647  -2.076   0.670
    5    HA   ARG   2           HA       ARG   2  -4.114  -3.962  -0.761
    6    HB2  ARG   2           HB2      ARG   2  -3.888  -2.709  -2.874
    7    HB3  ARG   2           HB3      ARG   2  -5.523  -3.295  -2.634
    8    HG2  ARG   2           HG2      ARG   2  -6.232  -1.056  -1.936
    9    HG3  ARG   2           HG3      ARG   2  -4.587  -0.463  -2.167
   10    HD2  ARG   2           HD2      ARG   2  -5.944   0.091  -4.096
   11    HD3  ARG   2           HD3      ARG   2  -4.720  -1.098  -4.540
   12    HE   ARG   2           HE       ARG   2  -7.477  -1.902  -3.893
   13   HH11  ARG   2          1HH1      ARG   2  -4.757  -1.859  -6.208
   14   HH12  ARG   2          2HH1      ARG   2  -5.526  -2.926  -7.283
   15   HH21  ARG   2          1HH2      ARG   2  -8.481  -3.319  -5.383
   16   HH22  ARG   2          2HH2      ARG   2  -7.673  -3.797  -6.808
   17    H    RVJ   3           H        AZA   3  -2.039  -3.525  -0.347
   18    HA   RVJ   3           HA       AZA   3  -1.103  -0.852  -0.301
   19    HB3  RVJ   3           HB3      AZA   3  -0.788  -2.492   2.221
   20    HB2  RVJ   3           HB2      AZA   3  -1.813  -1.101   2.066
   21    H    THR   4           H        THR   4   0.536  -0.860  -1.492
   22    HA   THR   4           HA       THR   4   2.151  -3.242  -1.733
   23    HB   THR   4           HB       THR   4   2.550  -0.577  -3.061
   24    HG1  THR   4           HG3      THR   4   0.632  -2.515  -3.382
   25   HG21  THR   4          HG21      THR   4   3.641  -1.922  -4.832
   26   HG22  THR   4          HG22      THR   4   3.323  -3.385  -3.901
   27   HG23  THR   4          HG23      THR   4   4.423  -2.159  -3.268
   28    H    LYS   5           H        LYS   5   4.003  -3.450  -0.656
   29    HA   LYS   5           HA       LYS   5   4.711  -1.406   1.285
   30    HB2  LYS   5           HB2      LYS   5   5.711  -4.256   1.020
   31    HB3  LYS   5           HB3      LYS   5   6.236  -3.151   2.271
   32    HG2  LYS   5           HG2      LYS   5   4.626  -4.668   3.212
   33    HG3  LYS   5           HG3      LYS   5   3.878  -3.079   3.106
   34    HD2  LYS   5           HD2      LYS   5   2.672  -3.735   1.114
   35    HD3  LYS   5           HD3      LYS   5   3.511  -5.280   1.083
   36    HE2  LYS   5           HE2      LYS   5   1.712  -4.378   3.323
   37    HE3  LYS   5           HE3      LYS   5   1.174  -5.356   1.961
   38    HZ1  LYS   5           HZ1      LYS   5   3.218  -6.133   3.980
   39    HZ2  LYS   5           HZ2      LYS   5   2.815  -7.021   2.607
   40    HZ3  LYS   5           HZ3      LYS   5   1.654  -6.764   3.786
   41    H    SER   6           H        SER   6   5.594  -2.090  -1.689
   42    HA   SER   6           HA       SER   6   8.416  -1.499  -1.441
   43    HB2  SER   6           HB2      SER   6   7.438  -3.012  -3.264
   44    HB3  SER   6           HB3      SER   6   6.752  -1.532  -3.958
   45    HG   SER   6           HG       SER   6   9.492  -1.890  -3.418
   46    H    ILE   7           H        ILE   7   9.272   0.463  -1.909
   47    HA   ILE   7           HA       ILE   7   7.387   2.631  -1.530
   48    HB   ILE   7           HB       ILE   7   9.336   4.088  -1.093
   49   HG12  ILE   7          HG12      ILE   7  10.975   1.573  -1.521
   50   HG13  ILE   7          HG13      ILE   7  10.962   2.968  -2.594
   51   HG21  ILE   7          HG21      ILE   7  10.043   2.999   1.001
   52   HG22  ILE   7          HG22      ILE   7   9.344   1.485   0.429
   53   HG23  ILE   7          HG23      ILE   7   8.302   2.860   0.753
   54   HD11  ILE   7          HD11      ILE   7  11.901   4.331  -0.805
   55   HD12  ILE   7          HD12      ILE   7  12.929   2.946  -1.177
   56   HD13  ILE   7          HD13      ILE   7  11.907   2.927   0.260
   57    HA   PRO   8           HA       PRO   8   7.241   4.920  -1.734
   58    HB2  PRO   8           HB2      PRO   8   5.220   5.929  -3.577
   59    HB3  PRO   8           HB3      PRO   8   6.468   6.828  -2.712
   60    HG2  PRO   8           HG2      PRO   8   6.508   6.492  -5.402
   61    HG3  PRO   8           HG3      PRO   8   7.980   6.638  -4.426
   62    HD2  PRO   8           HD2      PRO   8   6.663   4.184  -5.524
   63    HD3  PRO   8           HD3      PRO   8   8.387   4.617  -5.494
   64    HA   PRO   9           HA       PRO   9   4.217   1.751  -1.185
   65    HB2  PRO   9           HB2      PRO   9   3.402   2.285   1.307
   66    HB3  PRO   9           HB3      PRO   9   5.030   1.683   0.971
   67    HG2  PRO   9           HG2      PRO   9   4.093   4.444   1.494
   68    HG3  PRO   9           HG3      PRO   9   5.519   3.615   2.150
   69    HD2  PRO   9           HD2      PRO   9   5.661   5.361   0.032
   70    HD3  PRO   9           HD3      PRO   9   6.789   4.013   0.245
   71    H    ILE  10           H        ILE  10   2.257   1.564  -1.826
   72    HA   ILE  10           HA       ILE  10   0.445   3.864  -1.684
   73    HB   ILE  10           HB       ILE  10   0.656   1.709  -3.812
   74   HG12  ILE  10          HG12      ILE  10   1.206   4.681  -3.971
   75   HG13  ILE  10          HG13      ILE  10   2.437   3.433  -3.858
   76   HG21  ILE  10          HG21      ILE  10  -1.672   2.367  -3.464
   77   HG22  ILE  10          HG22      ILE  10  -1.077   2.961  -5.015
   78   HG23  ILE  10          HG23      ILE  10  -1.230   4.065  -3.647
   79   HD11  ILE  10          HD11      ILE  10   2.185   4.233  -6.124
   80   HD12  ILE  10          HD12      ILE  10   0.477   3.791  -6.106
   81   HD13  ILE  10          HD13      ILE  10   1.716   2.539  -6.002
   82    H1A  2AG  11           HD       PRG  11   1.238   2.494   2.220
   83    HB2  2AG  11           HB2      PRG  11  -1.437   2.426   2.445
   84    HB3  2AG  11           HB3      PRG  11  -2.248   0.877   2.429
   85    HA   2AG  11           HA       PRG  11  -2.219   0.825  -0.004
   86    H    2AG  11           H        PRG  11  -0.957   3.464  -0.127
   87    H    PHE  12           H        PHE  12  -4.331   0.943  -0.027
   88    HA   PHE  12           HA       PHE  12  -5.634   3.456   0.765
   89    HB2  PHE  12           HB2      PHE  12  -6.357   1.696  -1.598
   90    HB3  PHE  12           HB3      PHE  12  -7.373   2.992  -0.995
   91    HD1  PHE  12           HD1      PHE  12  -4.924   2.122  -3.342
   92    HD2  PHE  12           HD2      PHE  12  -6.182   5.351  -0.865
   93    HE1  PHE  12           HE3      PHE  12  -3.761   3.703  -4.811
   94    HE2  PHE  12           HE2      PHE  12  -5.016   6.934  -2.335
   95    HZ   PHE  12           HZ       PHE  12  -3.804   6.113  -4.312
   96    HA   PRO  13           HA       PRO  13  -8.138   0.886   3.447
   97    HB2  PRO  13           HB2      PRO  13 -10.512   2.259   3.382
   98    HB3  PRO  13           HB3      PRO  13  -9.110   2.773   4.326
   99    HG2  PRO  13           HG2      PRO  13 -10.021   3.700   1.631
  100    HG3  PRO  13           HG3      PRO  13  -9.444   4.663   3.000
  101    HD2  PRO  13           HD2      PRO  13  -7.844   4.119   0.927
  102    HD3  PRO  13           HD3      PRO  13  -7.214   4.148   2.585
  103    H    ASP  14           H        ASP  14  -8.573   1.065   0.247
  104    HA   ASP  14           HA       ASP  14 -10.958  -0.349  -0.329
  105    HB2  ASP  14           HB2      ASP  14  -9.761   0.783  -2.090
  106    HB3  ASP  14           HB3      ASP  14  -8.300  -0.134  -1.759
  Start of MODEL    7
    1    H1   GLY   1           H        GLY   1  -7.473  -0.882   1.239
    2    HA2  GLY   1           HA2      GLY   1  -6.955  -2.480   2.949
    3    HA3  GLY   1           HA3      GLY   1  -7.895  -3.676   2.062
    4    H    ARG   2           H        ARG   2  -6.488  -2.176  -0.292
    5    HA   ARG   2           HA       ARG   2  -4.409  -4.176  -0.548
    6    HB2  ARG   2           HB2      ARG   2  -6.011  -3.586  -2.370
    7    HB3  ARG   2           HB3      ARG   2  -5.211  -2.009  -2.429
    8    HG2  ARG   2           HG2      ARG   2  -4.394  -3.384  -4.228
    9    HG3  ARG   2           HG3      ARG   2  -3.108  -3.140  -3.042
   10    HD2  ARG   2           HD2      ARG   2  -3.504  -5.351  -2.123
   11    HD3  ARG   2           HD3      ARG   2  -4.876  -5.578  -3.207
   12    HE   ARG   2           HE       ARG   2  -2.640  -4.989  -4.743
   13   HH11  ARG   2          1HH1      ARG   2  -3.730  -7.664  -2.631
   14   HH12  ARG   2          2HH1      ARG   2  -2.879  -8.841  -3.497
   15   HH21  ARG   2          1HH2      ARG   2  -1.495  -6.662  -5.921
   16   HH22  ARG   2          2HH2      ARG   2  -1.596  -8.272  -5.402
   17    H    RVJ   3           H        AZA   3  -2.501  -3.750   0.019
   18    HA   RVJ   3           HA       AZA   3  -1.316  -1.136  -0.308
   19    HB3  RVJ   3           HB3      AZA   3  -1.186  -2.542   2.373
   20    HB2  RVJ   3           HB2      AZA   3  -2.152  -1.143   2.050
   21    H    THR   4           H        THR   4   0.261  -1.457  -1.520
   22    HA   THR   4           HA       THR   4   1.752  -3.953  -1.457
   23    HB   THR   4           HB       THR   4   1.914  -1.591  -3.343
   24    HG1  THR   4           HG3      THR   4   0.228  -3.795  -3.114
   25   HG21  THR   4          HG21      THR   4   3.865  -3.125  -3.412
   26   HG22  THR   4          HG22      THR   4   2.918  -3.217  -4.898
   27   HG23  THR   4          HG23      THR   4   2.768  -4.482  -3.678
   28    H    LYS   5           H        LYS   5   3.966  -3.968  -0.914
   29    HA   LYS   5           HA       LYS   5   4.764  -1.667   0.617
   30    HB2  LYS   5           HB2      LYS   5   6.116  -4.359   0.435
   31    HB3  LYS   5           HB3      LYS   5   6.472  -3.076   1.577
   32    HG2  LYS   5           HG2      LYS   5   3.999  -4.789   1.447
   33    HG3  LYS   5           HG3      LYS   5   5.226  -4.778   2.707
   34    HD2  LYS   5           HD2      LYS   5   3.328  -2.508   2.056
   35    HD3  LYS   5           HD3      LYS   5   3.176  -3.633   3.398
   36    HE2  LYS   5           HE2      LYS   5   5.485  -1.728   3.004
   37    HE3  LYS   5           HE3      LYS   5   4.093  -1.426   4.036
   38    HZ1  LYS   5           HZ1      LYS   5   5.910  -2.238   5.340
   39    HZ2  LYS   5           HZ2      LYS   5   6.097  -3.601   4.375
   40    HZ3  LYS   5           HZ3      LYS   5   4.722  -3.425   5.315
   41    H    SER   6           H        SER   6   4.832  -0.688  -1.502
   42    HA   SER   6           HA       SER   6   7.276  -1.085  -2.965
   43    HB2  SER   6           HB2      SER   6   6.161   0.766  -4.316
   44    HB3  SER   6           HB3      SER   6   5.295  -0.776  -4.267
   45    HG   SER   6           HG       SER   6   4.710   1.672  -3.081
   46    H    ILE   7           H        ILE   7   8.284   1.198  -3.461
   47    HA   ILE   7           HA       ILE   7   8.011   2.945  -1.182
   48    HB   ILE   7           HB       ILE   7  10.500   3.402  -1.239
   49   HG12  ILE   7          HG12      ILE   7  10.615   0.854  -2.883
   50   HG13  ILE   7          HG13      ILE   7  10.925   2.463  -3.527
   51   HG21  ILE   7          HG21      ILE   7   9.612   0.606  -0.537
   52   HG22  ILE   7          HG22      ILE   7   9.568   2.014   0.509
   53   HG23  ILE   7          HG23      ILE   7  11.124   1.330   0.013
   54   HD11  ILE   7          HD11      ILE   7  12.861   2.646  -2.042
   55   HD12  ILE   7          HD12      ILE   7  12.978   1.247  -3.110
   56   HD13  ILE   7          HD13      ILE   7  12.524   1.032  -1.421
   57    HA   PRO   8           HA       PRO   8   7.352   4.851  -0.749
   58    HB2  PRO   8           HB2      PRO   8   5.164   6.283  -1.394
   59    HB3  PRO   8           HB3      PRO   8   6.774   7.016  -1.340
   60    HG2  PRO   8           HG2      PRO   8   5.227   6.009  -3.701
   61    HG3  PRO   8           HG3      PRO   8   6.107   7.538  -3.527
   62    HD2  PRO   8           HD2      PRO   8   7.149   5.415  -4.817
   63    HD3  PRO   8           HD3      PRO   8   8.156   6.536  -3.883
   64    HA   PRO   9           HA       PRO   9   4.462   1.496  -0.732
   65    HB2  PRO   9           HB2      PRO   9   3.193   1.944   1.638
   66    HB3  PRO   9           HB3      PRO   9   4.840   1.316   1.532
   67    HG2  PRO   9           HG2      PRO   9   3.907   4.108   2.023
   68    HG3  PRO   9           HG3      PRO   9   5.197   3.207   2.842
   69    HD2  PRO   9           HD2      PRO   9   5.727   5.021   0.916
   70    HD3  PRO   9           HD3      PRO   9   6.706   3.554   1.119
   71    H    ILE  10           H        ILE  10   2.591   1.179  -1.705
   72    HA   ILE  10           HA       ILE  10   0.725   3.442  -1.940
   73    HB   ILE  10           HB       ILE  10   0.849   0.924  -3.624
   74   HG12  ILE  10          HG12      ILE  10   1.867   3.683  -4.331
   75   HG13  ILE  10          HG13      ILE  10   2.899   2.333  -3.865
   76   HG21  ILE  10          HG21      ILE  10  -0.598   3.545  -4.034
   77   HG22  ILE  10          HG22      ILE  10  -1.337   2.006  -3.591
   78   HG23  ILE  10          HG23      ILE  10  -0.577   2.195  -5.171
   79   HD11  ILE  10          HD11      ILE  10   1.097   2.436  -6.275
   80   HD12  ILE  10          HD12      ILE  10   2.128   1.081  -5.814
   81   HD13  ILE  10          HD13      ILE  10   2.850   2.620  -6.277
   82    H1A  2AG  11           HD       PRG  11   0.927   2.370   2.270
   83    HB2  2AG  11           HB2      PRG  11  -1.693   2.405   2.198
   84    HB3  2AG  11           HB3      PRG  11  -2.564   0.883   2.165
   85    HA   2AG  11           HA       PRG  11  -2.167   0.672  -0.238
   86    H    2AG  11           H        PRG  11  -0.817   3.248  -0.352
   87    H    PHE  12           H        PHE  12  -4.177   0.728  -0.499
   88    HA   PHE  12           HA       PHE  12  -5.539   3.324  -0.618
   89    HB2  PHE  12           HB2      PHE  12  -6.269   0.645  -1.841
   90    HB3  PHE  12           HB3      PHE  12  -7.213   2.114  -1.998
   91    HD1  PHE  12           HD1      PHE  12  -4.326   0.249  -3.162
   92    HD2  PHE  12           HD2      PHE  12  -6.383   3.963  -3.381
   93    HE1  PHE  12           HE3      PHE  12  -3.091   0.809  -5.208
   94    HE2  PHE  12           HE2      PHE  12  -5.154   4.532  -5.421
   95    HZ   PHE  12           HZ       PHE  12  -3.501   2.952  -6.346
   96    HA   PRO  13           HA       PRO  13  -8.085   2.132   2.931
   97    HB2  PRO  13           HB2      PRO  13 -10.416   3.116   1.365
   98    HB3  PRO  13           HB3      PRO  13  -9.852   3.621   2.960
   99    HG2  PRO  13           HG2      PRO  13  -9.498   5.193   0.850
  100    HG3  PRO  13           HG3      PRO  13  -8.237   5.039   2.086
  101    HD2  PRO  13           HD2      PRO  13  -8.390   3.801  -0.634
  102    HD3  PRO  13           HD3      PRO  13  -6.998   4.509   0.212
  103    H    ASP  14           H        ASP  14  -8.541   1.056  -0.177
  104    HA   ASP  14           HA       ASP  14 -10.683  -0.774  -0.078
  105    HB2  ASP  14           HB2      ASP  14  -9.568   0.027  -2.151
  106    HB3  ASP  14           HB3      ASP  14  -8.135  -0.884  -1.708
  Start of MODEL    8
    1    H1   GLY   1           H        GLY   1  -7.927  -0.981   0.406
    2    HA2  GLY   1           HA2      GLY   1  -8.217  -3.335  -1.300
    3    HA3  GLY   1           HA3      GLY   1  -7.225  -2.011  -1.883
    4    H    ARG   2           H        ARG   2  -5.172  -2.511  -1.657
    5    HA   ARG   2           HA       ARG   2  -4.322  -3.670   0.917
    6    HB2  ARG   2           HB2      ARG   2  -2.566  -4.897  -0.197
    7    HB3  ARG   2           HB3      ARG   2  -4.089  -5.294  -0.977
    8    HG2  ARG   2           HG2      ARG   2  -3.569  -3.867  -2.847
    9    HG3  ARG   2           HG3      ARG   2  -2.123  -3.272  -2.036
   10    HD2  ARG   2           HD2      ARG   2  -1.499  -4.910  -3.695
   11    HD3  ARG   2           HD3      ARG   2  -1.190  -5.550  -2.089
   12    HE   ARG   2           HE       ARG   2  -3.624  -6.515  -2.577
   13   HH11  ARG   2          1HH1      ARG   2  -0.774  -6.494  -4.661
   14   HH12  ARG   2          2HH1      ARG   2  -1.140  -7.991  -5.396
   15   HH21  ARG   2          1HH2      ARG   2  -4.129  -8.529  -3.597
   16   HH22  ARG   2          2HH2      ARG   2  -3.122  -9.159  -4.807
   17    H    RVJ   3           H        AZA   3  -1.988  -3.227   1.318
   18    HA   RVJ   3           HA       AZA   3  -1.143  -0.644   0.245
   19    HB3  RVJ   3           HB3      AZA   3  -0.394  -1.863   2.914
   20    HB2  RVJ   3           HB2      AZA   3  -1.654  -0.696   2.743
   21    H    THR   4           H        THR   4   0.708  -0.599  -0.822
   22    HA   THR   4           HA       THR   4   1.865  -3.149  -1.338
   23    HB   THR   4           HB       THR   4   3.303  -1.791  -2.951
   24    HG1  THR   4           HG3      THR   4   2.647   0.308  -3.330
   25   HG21  THR   4          HG21      THR   4   1.450  -1.477  -4.545
   26   HG22  THR   4          HG22      THR   4   0.293  -1.629  -3.223
   27   HG23  THR   4          HG23      THR   4   1.295  -3.007  -3.680
   28    H    LYS   5           H        LYS   5   3.983  -3.711  -1.054
   29    HA   LYS   5           HA       LYS   5   5.304  -2.416   1.202
   30    HB2  LYS   5           HB2      LYS   5   5.757  -5.132  -0.047
   31    HB3  LYS   5           HB3      LYS   5   6.521  -4.531   1.417
   32    HG2  LYS   5           HG2      LYS   5   3.594  -5.139   1.022
   33    HG3  LYS   5           HG3      LYS   5   4.746  -6.041   2.013
   34    HD2  LYS   5           HD2      LYS   5   5.054  -4.019   3.414
   35    HD3  LYS   5           HD3      LYS   5   3.838  -3.213   2.415
   36    HE2  LYS   5           HE2      LYS   5   2.161  -4.830   3.105
   37    HE3  LYS   5           HE3      LYS   5   3.362  -5.688   4.071
   38    HZ1  LYS   5           HZ1      LYS   5   2.476  -2.889   4.517
   39    HZ2  LYS   5           HZ2      LYS   5   3.606  -3.702   5.448
   40    HZ3  LYS   5           HZ3      LYS   5   1.992  -4.217   5.419
   41    H    SER   6           H        SER   6   5.367  -1.623  -1.699
   42    HA   SER   6           HA       SER   6   8.280  -1.579  -2.052
   43    HB2  SER   6           HB2      SER   6   6.118  -1.100  -4.102
   44    HB3  SER   6           HB3      SER   6   7.844  -1.288  -4.398
   45    HG   SER   6           HG       SER   6   7.605  -3.462  -3.578
   46    H    ILE   7           H        ILE   7   9.128   0.490  -1.843
   47    HA   ILE   7           HA       ILE   7   7.176   2.625  -1.536
   48    HB   ILE   7           HB       ILE   7   8.990   3.990  -0.553
   49   HG12  ILE   7          HG12      ILE   7  10.685   1.487  -0.782
   50   HG13  ILE   7          HG13      ILE   7  10.891   2.945  -1.747
   51   HG21  ILE   7          HG21      ILE   7   9.213   2.740   1.554
   52   HG22  ILE   7          HG22      ILE   7   8.635   1.290   0.732
   53   HG23  ILE   7          HG23      ILE   7   7.567   2.676   0.916
   54   HD11  ILE   7          HD11      ILE   7  11.213   2.735   1.238
   55   HD12  ILE   7          HD12      ILE   7  11.412   4.203   0.281
   56   HD13  ILE   7          HD13      ILE   7  12.511   2.844   0.049
   57    HA   PRO   8           HA       PRO   8   7.204   5.053  -1.531
   58    HB2  PRO   8           HB2      PRO   8   5.638   6.094  -3.820
   59    HB3  PRO   8           HB3      PRO   8   6.441   6.984  -2.522
   60    HG2  PRO   8           HG2      PRO   8   7.417   7.012  -5.005
   61    HG3  PRO   8           HG3      PRO   8   8.494   6.963  -3.597
   62    HD2  PRO   8           HD2      PRO   8   7.653   4.728  -5.410
   63    HD3  PRO   8           HD3      PRO   8   9.265   5.105  -4.767
   64    HA   PRO   9           HA       PRO   9   4.042   1.945  -1.883
   65    HB2  PRO   9           HB2      PRO   9   3.134   1.991   0.605
   66    HB3  PRO   9           HB3      PRO   9   4.785   1.466   0.252
   67    HG2  PRO   9           HG2      PRO   9   3.814   4.049   1.370
   68    HG3  PRO   9           HG3      PRO   9   5.284   3.143   1.761
   69    HD2  PRO   9           HD2      PRO   9   5.102   5.338   0.012
   70    HD3  PRO   9           HD3      PRO   9   6.472   4.219   0.145
   71    H    ILE  10           H        ILE  10   1.802   1.677  -1.867
   72    HA   ILE  10           HA       ILE  10   0.204   4.076  -1.466
   73    HB   ILE  10           HB       ILE  10   0.490   3.714  -3.918
   74   HG12  ILE  10          HG12      ILE  10  -1.929   3.581  -4.554
   75   HG13  ILE  10          HG13      ILE  10  -2.289   3.143  -2.888
   76   HG21  ILE  10          HG21      ILE  10  -0.491   1.753  -5.041
   77   HG22  ILE  10          HG22      ILE  10  -0.777   1.023  -3.462
   78   HG23  ILE  10          HG23      ILE  10   0.871   1.335  -3.999
   79   HD11  ILE  10          HD11      ILE  10  -2.699   5.499  -3.303
   80   HD12  ILE  10          HD12      ILE  10  -1.020   5.714  -3.797
   81   HD13  ILE  10          HD13      ILE  10  -1.403   5.280  -2.132
   82    H1A  2AG  11           HD       PRG  11   0.606   3.363   2.284
   83    HB2  2AG  11           HB2      PRG  11  -1.981   2.856   2.503
   84    HB3  2AG  11           HB3      PRG  11  -2.503   1.183   2.635
   85    HA   2AG  11           HA       PRG  11  -2.220   0.885   0.222
   86    H    2AG  11           H        PRG  11  -1.506   3.680  -0.128
   87    H    PHE  12           H        PHE  12  -4.089   0.546  -0.335
   88    HA   PHE  12           HA       PHE  12  -6.028   2.702  -0.365
   89    HB2  PHE  12           HB2      PHE  12  -6.309  -0.162  -1.290
   90    HB3  PHE  12           HB3      PHE  12  -7.431   1.153  -1.594
   91    HD1  PHE  12           HD1      PHE  12  -6.798   2.962  -3.176
   92    HD2  PHE  12           HD2      PHE  12  -4.390  -0.509  -2.631
   93    HE1  PHE  12           HE3      PHE  12  -5.656   3.416  -5.299
   94    HE2  PHE  12           HE2      PHE  12  -3.246  -0.052  -4.751
   95    HZ   PHE  12           HZ       PHE  12  -3.880   1.912  -6.089
   96    HA   PRO  13           HA       PRO  13  -7.568   1.051   3.576
   97    HB2  PRO  13           HB2      PRO  13  -9.886   2.806   3.031
   98    HB3  PRO  13           HB3      PRO  13  -8.776   2.829   4.404
   99    HG2  PRO  13           HG2      PRO  13  -8.716   4.757   2.542
  100    HG3  PRO  13           HG3      PRO  13  -7.234   4.163   3.309
  101    HD2  PRO  13           HD2      PRO  13  -8.350   3.515   0.600
  102    HD3  PRO  13           HD3      PRO  13  -6.674   3.846   1.098
  103    H    ASP  14           H        ASP  14  -8.944   1.044   0.534
  104    HA   ASP  14           HA       ASP  14 -11.033  -0.916   1.213
  105    HB2  ASP  14           HB2      ASP  14 -11.990  -0.333  -1.008
  106    HB3  ASP  14           HB3      ASP  14 -11.910   1.045   0.084
  Start of MODEL    9
    1    H1   GLY   1           H        GLY   1  -7.801  -0.971   0.512
    2    HA2  GLY   1           HA2      GLY   1  -8.337  -3.071  -1.439
    3    HA3  GLY   1           HA3      GLY   1  -7.584  -1.595  -2.026
    4    H    ARG   2           H        ARG   2  -5.540  -2.025  -2.415
    5    HA   ARG   2           HA       ARG   2  -4.048  -3.931  -0.775
    6    HB2  ARG   2           HB2      ARG   2  -2.323  -3.795  -2.507
    7    HB3  ARG   2           HB3      ARG   2  -3.894  -4.162  -3.204
    8    HG2  ARG   2           HG2      ARG   2  -4.122  -1.847  -3.950
    9    HG3  ARG   2           HG3      ARG   2  -2.599  -1.439  -3.178
   10    HD2  ARG   2           HD2      ARG   2  -2.854  -3.498  -5.358
   11    HD3  ARG   2           HD3      ARG   2  -2.503  -1.800  -5.672
   12    HE   ARG   2           HE       ARG   2  -0.632  -2.632  -3.836
   13   HH11  ARG   2          1HH1      ARG   2  -1.513  -3.621  -7.127
   14   HH12  ARG   2          2HH1      ARG   2   0.073  -4.089  -7.550
   15   HH21  ARG   2          1HH2      ARG   2   1.569  -3.237  -4.477
   16   HH22  ARG   2          2HH2      ARG   2   1.857  -3.841  -6.035
   17    H    RVJ   3           H        AZA   3  -2.049  -3.470   0.162
   18    HA   RVJ   3           HA       AZA   3  -0.906  -0.878  -0.096
   19    HB3  RVJ   3           HB3      AZA   3  -1.435  -1.932   2.706
   20    HB2  RVJ   3           HB2      AZA   3  -2.315  -0.612   1.979
   21    H    THR   4           H        THR   4   0.624  -1.914  -1.234
   22    HA   THR   4           HA       THR   4   2.092  -3.987   0.107
   23    HB   THR   4           HB       THR   4   3.452  -3.866  -2.076
   24    HG1  THR   4           HG3      THR   4   2.924  -2.100  -3.114
   25   HG21  THR   4          HG21      THR   4   1.764  -5.174  -3.300
   26   HG22  THR   4          HG22      THR   4   0.520  -4.608  -2.183
   27   HG23  THR   4          HG23      THR   4   1.825  -5.642  -1.600
   28    H    LYS   5           H        LYS   5   4.329  -3.801   0.527
   29    HA   LYS   5           HA       LYS   5   5.110  -1.246   1.520
   30    HB2  LYS   5           HB2      LYS   5   6.435  -3.960   1.474
   31    HB3  LYS   5           HB3      LYS   5   6.984  -2.565   2.393
   32    HG2  LYS   5           HG2      LYS   5   5.096  -2.602   3.795
   33    HG3  LYS   5           HG3      LYS   5   4.247  -3.726   2.742
   34    HD2  LYS   5           HD2      LYS   5   4.959  -4.953   4.643
   35    HD3  LYS   5           HD3      LYS   5   5.966  -5.413   3.277
   36    HE2  LYS   5           HE2      LYS   5   6.837  -3.370   5.328
   37    HE3  LYS   5           HE3      LYS   5   7.129  -5.083   5.549
   38    HZ1  LYS   5           HZ1      LYS   5   8.248  -3.330   3.409
   39    HZ2  LYS   5           HZ2      LYS   5   8.380  -5.009   3.407
   40    HZ3  LYS   5           HZ3      LYS   5   9.074  -4.126   4.648
   41    H    SER   6           H        SER   6   4.829  -1.048  -1.113
   42    HA   SER   6           HA       SER   6   7.193  -1.457  -2.645
   43    HB2  SER   6           HB2      SER   6   4.860   0.409  -3.128
   44    HB3  SER   6           HB3      SER   6   5.940  -0.299  -4.333
   45    HG   SER   6           HG       SER   6   5.149  -2.338  -3.693
   46    H    ILE   7           H        ILE   7   8.077   0.704  -3.687
   47    HA   ILE   7           HA       ILE   7   8.037   2.793  -1.695
   48    HB   ILE   7           HB       ILE   7  10.459   3.315  -2.212
   49   HG12  ILE   7          HG12      ILE   7  10.448   0.523  -3.404
   50   HG13  ILE   7          HG13      ILE   7  10.652   2.013  -4.320
   51   HG21  ILE   7          HG21      ILE   7   9.825   0.685  -0.898
   52   HG22  ILE   7          HG22      ILE   7   9.833   2.269  -0.137
   53   HG23  ILE   7          HG23      ILE   7  11.346   1.559  -0.712
   54   HD11  ILE   7          HD11      ILE   7  12.776   0.885  -3.952
   55   HD12  ILE   7          HD12      ILE   7  12.523   0.958  -2.209
   56   HD13  ILE   7          HD13      ILE   7  12.743   2.445  -3.129
   57    HA   PRO   8           HA       PRO   8   7.286   4.568  -1.361
   58    HB2  PRO   8           HB2      PRO   8   5.000   5.965  -2.537
   59    HB3  PRO   8           HB3      PRO   8   6.277   6.605  -1.499
   60    HG2  PRO   8           HG2      PRO   8   6.089   7.289  -4.093
   61    HG3  PRO   8           HG3      PRO   8   7.656   7.107  -3.284
   62    HD2  PRO   8           HD2      PRO   8   6.216   5.166  -5.060
   63    HD3  PRO   8           HD3      PRO   8   7.925   5.653  -5.084
   64    HA   PRO   9           HA       PRO   9   4.153   1.438  -1.095
   65    HB2  PRO   9           HB2      PRO   9   3.191   1.861   1.395
   66    HB3  PRO   9           HB3      PRO   9   4.810   1.209   1.116
   67    HG2  PRO   9           HG2      PRO   9   3.966   3.992   1.754
   68    HG3  PRO   9           HG3      PRO   9   5.323   3.066   2.423
   69    HD2  PRO   9           HD2      PRO   9   5.654   4.923   0.445
   70    HD3  PRO   9           HD3      PRO   9   6.680   3.484   0.590
   71    H    ILE  10           H        ILE  10   2.268   1.436  -2.066
   72    HA   ILE  10           HA       ILE  10   0.530   3.776  -1.831
   73    HB   ILE  10           HB       ILE  10   0.536   1.543  -3.891
   74   HG12  ILE  10          HG12      ILE  10   1.369   4.444  -4.134
   75   HG13  ILE  10          HG13      ILE  10   2.462   3.067  -4.089
   76   HG21  ILE  10          HG21      ILE  10  -1.111   2.896  -5.105
   77   HG22  ILE  10          HG22      ILE  10  -1.116   4.066  -3.787
   78   HG23  ILE  10          HG23      ILE  10  -1.720   2.431  -3.514
   79   HD11  ILE  10          HD11      ILE  10   0.415   3.638  -6.216
   80   HD12  ILE  10          HD12      ILE  10   1.518   2.260  -6.189
   81   HD13  ILE  10          HD13      ILE  10   2.153   3.897  -6.353
   82    H1A  2AG  11           HD       PRG  11   0.719   2.950   2.357
   83    HB2  2AG  11           HB2      PRG  11  -1.882   2.940   2.082
   84    HB3  2AG  11           HB3      PRG  11  -2.745   1.423   2.242
   85    HA   2AG  11           HA       PRG  11  -2.183   0.888  -0.091
   86    H    2AG  11           H        PRG  11  -1.041   3.551  -0.371
   87    H    PHE  12           H        PHE  12  -4.179   0.636  -0.197
   88    HA   PHE  12           HA       PHE  12  -6.010   2.928  -0.255
   89    HB2  PHE  12           HB2      PHE  12  -6.328   0.133  -1.398
   90    HB3  PHE  12           HB3      PHE  12  -7.545   1.395  -1.449
   91    HD1  PHE  12           HD1      PHE  12  -4.301   0.290  -2.780
   92    HD2  PHE  12           HD2      PHE  12  -7.450   3.131  -3.057
   93    HE1  PHE  12           HE3      PHE  12  -3.432   1.045  -4.958
   94    HE2  PHE  12           HE2      PHE  12  -6.593   3.884  -5.206
   95    HZ   PHE  12           HZ       PHE  12  -4.580   2.848  -6.171
   96    HA   PRO  13           HA       PRO  13  -7.082   1.137   3.751
   97    HB2  PRO  13           HB2      PRO  13  -9.601   2.644   3.349
   98    HB3  PRO  13           HB3      PRO  13  -8.459   2.709   4.695
   99    HG2  PRO  13           HG2      PRO  13  -8.599   4.696   2.934
  100    HG3  PRO  13           HG3      PRO  13  -7.042   4.173   3.597
  101    HD2  PRO  13           HD2      PRO  13  -8.236   3.614   0.909
  102    HD3  PRO  13           HD3      PRO  13  -6.554   3.970   1.362
  103    H    ASP  14           H        ASP  14  -8.977   1.030   0.943
  104    HA   ASP  14           HA       ASP  14 -10.561  -1.251   1.944
  105    HB2  ASP  14           HB2      ASP  14 -12.267  -0.625   0.361
  106    HB3  ASP  14           HB3      ASP  14 -11.835   0.795   1.306
  Start of MODEL   10
    1    H1   GLY   1           H        GLY   1  -7.490  -1.177   0.709
    2    HA2  GLY   1           HA2      GLY   1  -7.752  -2.898   2.665
    3    HA3  GLY   1           HA3      GLY   1  -8.206  -3.934   1.322
    4    H    ARG   2           H        ARG   2  -6.361  -3.072  -0.602
    5    HA   ARG   2           HA       ARG   2  -4.111  -4.517   0.468
    6    HB2  ARG   2           HB2      ARG   2  -5.080  -5.159  -1.691
    7    HB3  ARG   2           HB3      ARG   2  -4.643  -3.586  -2.344
    8    HG2  ARG   2           HG2      ARG   2  -3.096  -5.326  -3.083
    9    HG3  ARG   2           HG3      ARG   2  -2.276  -4.122  -2.090
   10    HD2  ARG   2           HD2      ARG   2  -1.568  -6.403  -1.528
   11    HD3  ARG   2           HD3      ARG   2  -2.372  -5.617  -0.174
   12    HE   ARG   2           HE       ARG   2  -4.065  -7.246  -1.845
   13   HH11  ARG   2          1HH1      ARG   2  -2.117  -7.109   1.113
   14   HH12  ARG   2          2HH1      ARG   2  -2.756  -8.539   1.773
   15   HH21  ARG   2          1HH2      ARG   2  -4.957  -9.235  -0.899
   16   HH22  ARG   2          2HH2      ARG   2  -4.392  -9.755   0.609
   17    H    RVJ   3           H        AZA   3  -2.167  -3.812   0.787
   18    HA   RVJ   3           HA       AZA   3  -1.510  -1.050   0.126
   19    HB3  RVJ   3           HB3      AZA   3  -0.507  -2.703   2.445
   20    HB2  RVJ   3           HB2      AZA   3  -1.636  -1.412   2.586
   21    H    THR   4           H        THR   4  -0.022  -0.844  -1.381
   22    HA   THR   4           HA       THR   4   1.611  -3.092  -2.148
   23    HB   THR   4           HB       THR   4   1.879  -0.274  -3.044
   24    HG1  THR   4           HG3      THR   4  -0.181  -0.419  -3.651
   25   HG21  THR   4          HG21      THR   4   3.497  -1.860  -3.916
   26   HG22  THR   4          HG22      THR   4   2.443  -1.321  -5.221
   27   HG23  THR   4          HG23      THR   4   2.200  -2.908  -4.491
   28    H    LYS   5           H        LYS   5   3.464  -3.425  -1.069
   29    HA   LYS   5           HA       LYS   5   4.457  -1.440   0.785
   30    HB2  LYS   5           HB2      LYS   5   5.848  -3.246   1.620
   31    HB3  LYS   5           HB3      LYS   5   4.186  -3.787   1.436
   32    HG2  LYS   5           HG2      LYS   5   4.828  -4.746  -0.768
   33    HG3  LYS   5           HG3      LYS   5   6.511  -4.393  -0.363
   34    HD2  LYS   5           HD2      LYS   5   6.190  -5.766   1.687
   35    HD3  LYS   5           HD3      LYS   5   4.568  -6.121   1.044
   36    HE2  LYS   5           HE2      LYS   5   5.519  -7.121  -0.939
   37    HE3  LYS   5           HE3      LYS   5   7.147  -6.731  -0.392
   38    HZ1  LYS   5           HZ1      LYS   5   5.267  -8.611   0.917
   39    HZ2  LYS   5           HZ2      LYS   5   6.795  -8.200   1.495
   40    HZ3  LYS   5           HZ3      LYS   5   6.647  -9.024   0.035
   41    H    SER   6           H        SER   6   4.899  -1.757  -2.323
   42    HA   SER   6           HA       SER   6   7.743  -1.548  -2.585
   43    HB2  SER   6           HB2      SER   6   5.601  -0.686  -4.546
   44    HB3  SER   6           HB3      SER   6   7.278  -1.108  -4.897
   45    HG   SER   6           HG       SER   6   5.820  -2.787  -5.388
   46    H    ILE   7           H        ILE   7   8.743   0.221  -1.821
   47    HA   ILE   7           HA       ILE   7   7.271   2.578  -1.155
   48    HB   ILE   7           HB       ILE   7   9.407   3.471  -0.274
   49   HG12  ILE   7          HG12      ILE   7  10.593   0.854  -1.239
   50   HG13  ILE   7          HG13      ILE   7  10.910   2.426  -1.957
   51   HG21  ILE   7          HG21      ILE   7   9.706   1.800   1.507
   52   HG22  ILE   7          HG22      ILE   7   8.805   0.628   0.549
   53   HG23  ILE   7          HG23      ILE   7   7.999   2.068   1.155
   54   HD11  ILE   7          HD11      ILE   7  11.933   3.148   0.146
   55   HD12  ILE   7          HD12      ILE   7  12.731   1.731  -0.536
   56   HD13  ILE   7          HD13      ILE   7  11.626   1.551   0.828
   57    HA   PRO   8           HA       PRO   8   7.449   4.943  -0.839
   58    HB2  PRO   8           HB2      PRO   8   5.703   6.402  -2.729
   59    HB3  PRO   8           HB3      PRO   8   6.733   7.048  -1.448
   60    HG2  PRO   8           HG2      PRO   8   7.382   7.372  -4.014
   61    HG3  PRO   8           HG3      PRO   8   8.624   7.051  -2.790
   62    HD2  PRO   8           HD2      PRO   8   7.364   5.155  -4.746
   63    HD3  PRO   8           HD3      PRO   8   9.077   5.349  -4.315
   64    HA   PRO   9           HA       PRO   9   4.354   1.864  -0.998
   65    HB2  PRO   9           HB2      PRO   9   3.351   2.068   1.475
   66    HB3  PRO   9           HB3      PRO   9   4.998   1.488   1.193
   67    HG2  PRO   9           HG2      PRO   9   4.052   4.211   1.932
   68    HG3  PRO   9           HG3      PRO   9   5.353   3.268   2.682
   69    HD2  PRO   9           HD2      PRO   9   5.877   5.180   0.840
   70    HD3  PRO   9           HD3      PRO   9   6.844   3.696   0.929
   71    H    ILE  10           H        ILE  10   2.450   1.886  -1.955
   72    HA   ILE  10           HA       ILE  10   0.673   4.062  -1.386
   73    HB   ILE  10           HB       ILE  10  -0.301   3.322  -3.598
   74   HG12  ILE  10          HG12      ILE  10   2.446   2.076  -3.893
   75   HG13  ILE  10          HG13      ILE  10   0.892   1.251  -3.909
   76   HG21  ILE  10          HG21      ILE  10   2.391   4.700  -3.529
   77   HG22  ILE  10          HG22      ILE  10   0.822   5.465  -3.289
   78   HG23  ILE  10          HG23      ILE  10   1.246   4.799  -4.867
   79   HD11  ILE  10          HD11      ILE  10   0.325   2.361  -5.999
   80   HD12  ILE  10          HD12      ILE  10   1.821   1.434  -6.135
   81   HD13  ILE  10          HD13      ILE  10   1.883   3.189  -5.976
   82    H1A  2AG  11           HD       PRG  11   1.022   2.467   1.981
   83    HB2  2AG  11           HB2      PRG  11  -1.726   2.137   2.242
   84    HB3  2AG  11           HB3      PRG  11  -2.349   0.520   1.964
   85    HA   2AG  11           HA       PRG  11  -1.803   0.683  -0.413
   86    H    2AG  11           H        PRG  11  -0.774   3.342   0.049
   87    H    PHE  12           H        PHE  12  -3.937   0.371  -0.295
   88    HA   PHE  12           HA       PHE  12  -5.413   2.823  -0.779
   89    HB2  PHE  12           HB2      PHE  12  -6.041   0.002  -1.664
   90    HB3  PHE  12           HB3      PHE  12  -6.841   1.478  -2.193
   91    HD1  PHE  12           HD1      PHE  12  -5.532   3.149  -3.557
   92    HD2  PHE  12           HD2      PHE  12  -4.074  -0.759  -2.709
   93    HE1  PHE  12           HE3      PHE  12  -3.892   3.364  -5.370
   94    HE2  PHE  12           HE2      PHE  12  -2.433  -0.546  -4.526
   95    HZ   PHE  12           HZ       PHE  12  -2.339   1.523  -5.857
   96    HA   PRO  13           HA       PRO  13  -7.784   1.926   2.929
   97    HB2  PRO  13           HB2      PRO  13 -10.031   3.228   1.492
   98    HB3  PRO  13           HB3      PRO  13  -9.292   3.656   3.039
   99    HG2  PRO  13           HG2      PRO  13  -8.870   5.155   0.879
  100    HG3  PRO  13           HG3      PRO  13  -7.581   4.856   2.052
  101    HD2  PRO  13           HD2      PRO  13  -8.027   3.597  -0.625
  102    HD3  PRO  13           HD3      PRO  13  -6.521   4.152   0.143
  103    H    ASP  14           H        ASP  14  -8.593   1.127  -0.229
  104    HA   ASP  14           HA       ASP  14 -10.860  -0.454  -0.108
  105    HB2  ASP  14           HB2      ASP  14  -8.388  -0.830  -1.800
  106    HB3  ASP  14           HB3      ASP  14  -9.945  -1.590  -2.104
  Start of MODEL   11
    1    H1   GLY   1           H        GLY   1  -8.294  -2.264   0.889
    2    HA2  GLY   1           HA2      GLY   1  -8.501  -3.275  -1.600
    3    HA3  GLY   1           HA3      GLY   1  -7.692  -1.730  -1.847
    4    H    ARG   2           H        ARG   2  -5.569  -1.799  -1.809
    5    HA   ARG   2           HA       ARG   2  -4.237  -4.018  -0.393
    6    HB2  ARG   2           HB2      ARG   2  -2.606  -4.075  -2.239
    7    HB3  ARG   2           HB3      ARG   2  -4.236  -4.434  -2.796
    8    HG2  ARG   2           HG2      ARG   2  -4.450  -2.136  -3.625
    9    HG3  ARG   2           HG3      ARG   2  -2.819  -1.790  -3.062
   10    HD2  ARG   2           HD2      ARG   2  -3.522  -3.880  -5.112
   11    HD3  ARG   2           HD3      ARG   2  -2.960  -2.253  -5.487
   12    HE   ARG   2           HE       ARG   2  -1.166  -3.647  -3.754
   13   HH11  ARG   2          1HH1      ARG   2  -2.120  -3.321  -7.138
   14   HH12  ARG   2          2HH1      ARG   2  -0.599  -3.776  -7.755
   15   HH21  ARG   2          1HH2      ARG   2   0.896  -4.235  -4.579
   16   HH22  ARG   2          2HH2      ARG   2   1.180  -4.310  -6.271
   17    H    RVJ   3           H        AZA   3  -2.066  -3.562   0.262
   18    HA   RVJ   3           HA       AZA   3  -0.988  -0.941  -0.103
   19    HB3  RVJ   3           HB3      AZA   3  -1.262  -2.029   2.713
   20    HB2  RVJ   3           HB2      AZA   3  -2.226  -0.728   2.075
   21    H    THR   4           H        THR   4   0.483  -1.880  -1.344
   22    HA   THR   4           HA       THR   4   2.122  -4.013  -0.301
   23    HB   THR   4           HB       THR   4   2.415  -2.457  -2.886
   24    HG1  THR   4           HG3      THR   4   0.672  -4.513  -2.083
   25   HG21  THR   4          HG21      THR   4   3.219  -5.277  -2.110
   26   HG22  THR   4          HG22      THR   4   4.322  -3.909  -2.258
   27   HG23  THR   4          HG23      THR   4   3.487  -4.526  -3.684
   28    H    LYS   5           H        LYS   5   4.298  -3.685   0.364
   29    HA   LYS   5           HA       LYS   5   4.852  -0.963   1.058
   30    HB2  LYS   5           HB2      LYS   5   6.046  -3.559   2.056
   31    HB3  LYS   5           HB3      LYS   5   6.674  -1.984   2.500
   32    HG2  LYS   5           HG2      LYS   5   5.289  -2.778   4.292
   33    HG3  LYS   5           HG3      LYS   5   4.450  -1.447   3.504
   34    HD2  LYS   5           HD2      LYS   5   3.098  -3.101   2.249
   35    HD3  LYS   5           HD3      LYS   5   3.914  -4.391   3.134
   36    HE2  LYS   5           HE2      LYS   5   3.041  -3.549   5.221
   37    HE3  LYS   5           HE3      LYS   5   2.313  -2.180   4.382
   38    HZ1  LYS   5           HZ1      LYS   5   1.561  -5.044   4.051
   39    HZ2  LYS   5           HZ2      LYS   5   0.936  -3.793   3.136
   40    HZ3  LYS   5           HZ3      LYS   5   0.650  -3.838   4.795
   41    H    SER   6           H        SER   6   5.113  -0.829  -1.254
   42    HA   SER   6           HA       SER   6   7.762  -1.506  -2.164
   43    HB2  SER   6           HB2      SER   6   5.473  -0.058  -3.507
   44    HB3  SER   6           HB3      SER   6   6.942  -0.617  -4.306
   45    HG   SER   6           HG       SER   6   6.363  -2.733  -3.737
   46    H    ILE   7           H        ILE   7   8.400   0.793  -3.595
   47    HA   ILE   7           HA       ILE   7   8.116   2.877  -1.626
   48    HB   ILE   7           HB       ILE   7  10.513   3.560  -2.044
   49   HG12  ILE   7          HG12      ILE   7  10.714   0.787  -3.277
   50   HG13  ILE   7          HG13      ILE   7  10.819   2.289  -4.180
   51   HG21  ILE   7          HG21      ILE   7  11.443   1.775  -0.535
   52   HG22  ILE   7          HG22      ILE   7   9.940   0.867  -0.801
   53   HG23  ILE   7          HG23      ILE   7   9.886   2.420  -0.008
   54   HD11  ILE   7          HD11      ILE   7  13.010   1.332  -3.811
   55   HD12  ILE   7          HD12      ILE   7  12.738   1.334  -2.069
   56   HD13  ILE   7          HD13      ILE   7  12.857   2.861  -2.945
   57    HA   PRO   8           HA       PRO   8   7.257   4.591  -1.374
   58    HB2  PRO   8           HB2      PRO   8   4.910   5.895  -2.398
   59    HB3  PRO   8           HB3      PRO   8   6.307   6.637  -1.616
   60    HG2  PRO   8           HG2      PRO   8   5.643   6.987  -4.261
   61    HG3  PRO   8           HG3      PRO   8   7.275   7.178  -3.608
   62    HD2  PRO   8           HD2      PRO   8   6.078   4.872  -5.079
   63    HD3  PRO   8           HD3      PRO   8   7.713   5.562  -5.195
   64    HA   PRO   9           HA       PRO   9   4.152   1.417  -1.139
   65    HB2  PRO   9           HB2      PRO   9   3.267   1.736   1.375
   66    HB3  PRO   9           HB3      PRO   9   4.890   1.130   1.019
   67    HG2  PRO   9           HG2      PRO   9   4.018   3.861   1.826
   68    HG3  PRO   9           HG3      PRO   9   5.430   2.941   2.382
   69    HD2  PRO   9           HD2      PRO   9   5.556   4.903   0.453
   70    HD3  PRO   9           HD3      PRO   9   6.695   3.547   0.557
   71    H    ILE  10           H        ILE  10   2.351   1.588  -2.222
   72    HA   ILE  10           HA       ILE  10   0.564   3.837  -1.703
   73    HB   ILE  10           HB       ILE  10   0.571   1.870  -4.022
   74   HG12  ILE  10          HG12      ILE  10   1.329   4.795  -3.939
   75   HG13  ILE  10          HG13      ILE  10   2.486   3.474  -3.976
   76   HG21  ILE  10          HG21      ILE  10  -1.095   3.376  -5.044
   77   HG22  ILE  10          HG22      ILE  10  -1.105   4.355  -3.577
   78   HG23  ILE  10          HG23      ILE  10  -1.691   2.693  -3.528
   79   HD11  ILE  10          HD11      ILE  10   1.629   2.823  -6.184
   80   HD12  ILE  10          HD12      ILE  10   2.224   4.483  -6.163
   81   HD13  ILE  10          HD13      ILE  10   0.489   4.167  -6.120
   82    H1A  2AG  11           HD       PRG  11   0.736   2.898   2.188
   83    HB2  2AG  11           HB2      PRG  11  -1.906   2.804   2.010
   84    HB3  2AG  11           HB3      PRG  11  -2.707   1.250   2.122
   85    HA   2AG  11           HA       PRG  11  -2.141   0.803  -0.234
   86    H    2AG  11           H        PRG  11  -1.081   3.506  -0.436
   87    H    PHE  12           H        PHE  12  -4.233   0.590   0.069
   88    HA   PHE  12           HA       PHE  12  -5.933   2.947  -0.231
   89    HB2  PHE  12           HB2      PHE  12  -6.370   0.146  -1.329
   90    HB3  PHE  12           HB3      PHE  12  -7.510   1.475  -1.457
   91    HD1  PHE  12           HD1      PHE  12  -7.098   3.318  -3.018
   92    HD2  PHE  12           HD2      PHE  12  -4.392   0.043  -2.728
   93    HE1  PHE  12           HE3      PHE  12  -6.061   3.987  -5.135
   94    HE2  PHE  12           HE2      PHE  12  -3.352   0.716  -4.854
   95    HZ   PHE  12           HZ       PHE  12  -4.182   2.689  -6.056
   96    HA   PRO  13           HA       PRO  13  -7.324   1.500   3.815
   97    HB2  PRO  13           HB2      PRO  13  -9.812   2.951   3.085
   98    HB3  PRO  13           HB3      PRO  13  -8.799   3.128   4.520
   99    HG2  PRO  13           HG2      PRO  13  -8.738   4.969   2.622
  100    HG3  PRO  13           HG3      PRO  13  -7.237   4.454   3.411
  101    HD2  PRO  13           HD2      PRO  13  -8.316   3.703   0.719
  102    HD3  PRO  13           HD3      PRO  13  -6.651   4.100   1.210
  103    H    ASP  14           H        ASP  14  -8.965   1.060   0.913
  104    HA   ASP  14           HA       ASP  14 -10.100  -1.439   1.861
  105    HB2  ASP  14           HB2      ASP  14 -12.001   0.183   1.823
  106    HB3  ASP  14           HB3      ASP  14 -11.613   0.566   0.151
  Start of MODEL   12
    1    H1   GLY   1           H        GLY   1  -7.920  -0.604  -0.005
    2    HA2  GLY   1           HA2      GLY   1  -7.887  -2.470  -2.258
    3    HA3  GLY   1           HA3      GLY   1  -6.758  -1.121  -2.152
    4    H    ARG   2           H        ARG   2  -4.851  -1.652  -1.437
    5    HA   ARG   2           HA       ARG   2  -4.547  -3.406   0.843
    6    HB2  ARG   2           HB2      ARG   2  -4.579  -4.725  -1.390
    7    HB3  ARG   2           HB3      ARG   2  -3.069  -3.909  -1.748
    8    HG2  ARG   2           HG2      ARG   2  -2.678  -6.145  -0.912
    9    HG3  ARG   2           HG3      ARG   2  -2.061  -4.946   0.231
   10    HD2  ARG   2           HD2      ARG   2  -3.304  -6.831   1.290
   11    HD3  ARG   2           HD3      ARG   2  -3.958  -5.240   1.671
   12    HE   ARG   2           HE       ARG   2  -5.214  -6.475  -0.588
   13   HH11  ARG   2          1HH1      ARG   2  -5.238  -6.390   2.954
   14   HH12  ARG   2          2HH1      ARG   2  -6.892  -6.786   3.088
   15   HH21  ARG   2          1HH2      ARG   2  -7.467  -7.043  -0.392
   16   HH22  ARG   2          2HH2      ARG   2  -8.182  -7.166   1.152
   17    H    RVJ   3           H        AZA   3  -2.159  -3.222   1.524
   18    HA   RVJ   3           HA       AZA   3  -0.999  -0.769   0.473
   19    HB3  RVJ   3           HB3      AZA   3  -0.555  -1.928   3.230
   20    HB2  RVJ   3           HB2      AZA   3  -1.676  -0.657   2.877
   21    H    THR   4           H        THR   4   0.688  -0.939  -0.679
   22    HA   THR   4           HA       THR   4   2.039  -3.441  -0.852
   23    HB   THR   4           HB       THR   4   3.294  -2.243  -2.695
   24    HG1  THR   4           HG3      THR   4   2.569  -0.282  -3.312
   25   HG21  THR   4          HG21      THR   4   1.316  -3.606  -3.160
   26   HG22  THR   4          HG22      THR   4   1.358  -2.188  -4.211
   27   HG23  THR   4          HG23      THR   4   0.279  -2.224  -2.816
   28    H    LYS   5           H        LYS   5   4.341  -3.670  -0.619
   29    HA   LYS   5           HA       LYS   5   5.391  -1.810   1.363
   30    HB2  LYS   5           HB2      LYS   5   5.844  -4.705   0.938
   31    HB3  LYS   5           HB3      LYS   5   7.230  -3.780   1.487
   32    HG2  LYS   5           HG2      LYS   5   6.037  -4.763   3.371
   33    HG3  LYS   5           HG3      LYS   5   5.982  -3.007   3.433
   34    HD2  LYS   5           HD2      LYS   5   3.822  -3.811   4.045
   35    HD3  LYS   5           HD3      LYS   5   3.682  -3.148   2.419
   36    HE2  LYS   5           HE2      LYS   5   3.857  -5.428   1.505
   37    HE3  LYS   5           HE3      LYS   5   3.956  -6.051   3.146
   38    HZ1  LYS   5           HZ1      LYS   5   1.632  -4.580   2.015
   39    HZ2  LYS   5           HZ2      LYS   5   1.759  -5.114   3.587
   40    HZ3  LYS   5           HZ3      LYS   5   1.701  -6.235   2.332
   41    H    SER   6           H        SER   6   5.578  -2.184  -1.765
   42    HA   SER   6           HA       SER   6   8.373  -1.536  -2.146
   43    HB2  SER   6           HB2      SER   6   6.047  -1.381  -4.078
   44    HB3  SER   6           HB3      SER   6   7.756  -1.381  -4.507
   45    HG   SER   6           HG       SER   6   7.779  -3.474  -3.342
   46    H    ILE   7           H        ILE   7   9.135   0.577  -2.624
   47    HA   ILE   7           HA       ILE   7   7.300   2.681  -1.780
   48    HB   ILE   7           HB       ILE   7   9.312   4.105  -1.511
   49   HG12  ILE   7          HG12      ILE   7  10.864   1.568  -2.118
   50   HG13  ILE   7          HG13      ILE   7  10.725   2.936  -3.209
   51   HG21  ILE   7          HG21      ILE   7   8.424   2.909   0.393
   52   HG22  ILE   7          HG22      ILE   7  10.186   2.939   0.486
   53   HG23  ILE   7          HG23      ILE   7   9.353   1.476  -0.041
   54   HD11  ILE   7          HD11      ILE   7  11.889   4.341  -1.573
   55   HD12  ILE   7          HD12      ILE   7  12.854   2.948  -2.060
   56   HD13  ILE   7          HD13      ILE   7  12.033   2.950  -0.499
   57    HA   PRO   8           HA       PRO   8   7.005   4.911  -1.865
   58    HB2  PRO   8           HB2      PRO   8   4.885   5.903  -3.655
   59    HB3  PRO   8           HB3      PRO   8   5.986   6.824  -2.627
   60    HG2  PRO   8           HG2      PRO   8   6.237   6.864  -5.289
   61    HG3  PRO   8           HG3      PRO   8   7.660   6.870  -4.229
   62    HD2  PRO   8           HD2      PRO   8   6.413   4.570  -5.699
   63    HD3  PRO   8           HD3      PRO   8   8.128   5.033  -5.590
   64    HA   PRO   9           HA       PRO   9   4.050   1.674  -1.369
   65    HB2  PRO   9           HB2      PRO   9   3.228   2.172   1.126
   66    HB3  PRO   9           HB3      PRO   9   4.874   1.628   0.774
   67    HG2  PRO   9           HG2      PRO   9   3.880   4.384   1.368
   68    HG3  PRO   9           HG3      PRO   9   5.347   3.574   1.946
   69    HD2  PRO   9           HD2      PRO   9   5.290   5.361  -0.145
   70    HD3  PRO   9           HD3      PRO   9   6.521   4.099   0.060
   71    H    ILE  10           H        ILE  10   1.996   1.346  -1.895
   72    HA   ILE  10           HA       ILE  10   0.145   3.622  -1.790
   73    HB   ILE  10           HB       ILE  10   0.015   1.109  -3.515
   74   HG12  ILE  10          HG12      ILE  10   0.037   2.822  -5.440
   75   HG13  ILE  10          HG13      ILE  10   0.618   3.975  -4.256
   76   HG21  ILE  10          HG21      ILE  10  -2.202   1.755  -2.868
   77   HG22  ILE  10          HG22      ILE  10  -1.955   2.089  -4.582
   78   HG23  ILE  10          HG23      ILE  10  -1.913   3.408  -3.412
   79   HD11  ILE  10          HD11      ILE  10   1.976   1.418  -5.066
   80   HD12  ILE  10          HD12      ILE  10   2.577   2.562  -3.867
   81   HD13  ILE  10          HD13      ILE  10   2.442   3.046  -5.557
   82    H1A  2AG  11           HD       PRG  11   0.974   3.136   2.449
   83    HB2  2AG  11           HB2      PRG  11  -1.593   2.900   2.625
   84    HB3  2AG  11           HB3      PRG  11  -2.288   1.322   2.922
   85    HA   2AG  11           HA       PRG  11  -2.227   0.799   0.551
   86    H    2AG  11           H        PRG  11  -1.255   3.473  -0.123
   87    H    PHE  12           H        PHE  12  -4.210   0.822  -0.036
   88    HA   PHE  12           HA       PHE  12  -5.843   3.100   0.820
   89    HB2  PHE  12           HB2      PHE  12  -6.322   1.211  -1.503
   90    HB3  PHE  12           HB3      PHE  12  -7.480   2.407  -0.945
   91    HD1  PHE  12           HD1      PHE  12  -5.489   1.804  -3.545
   92    HD2  PHE  12           HD2      PHE  12  -5.994   4.825  -0.588
   93    HE1  PHE  12           HE3      PHE  12  -4.501   3.465  -5.067
   94    HE2  PHE  12           HE2      PHE  12  -5.008   6.480  -2.105
   95    HZ   PHE  12           HZ       PHE  12  -4.264   5.803  -4.348
   96    HA   PRO  13           HA       PRO  13  -7.796   0.122   3.555
   97    HB2  PRO  13           HB2      PRO  13 -10.196   1.840   3.263
   98    HB3  PRO  13           HB3      PRO  13  -9.339   1.361   4.732
   99    HG2  PRO  13           HG2      PRO  13  -9.140   3.849   3.793
  100    HG3  PRO  13           HG3      PRO  13  -7.746   3.023   4.510
  101    HD2  PRO  13           HD2      PRO  13  -8.376   3.503   1.620
  102    HD3  PRO  13           HD3      PRO  13  -6.821   3.585   2.479
  103    H    ASP  14           H        ASP  14  -9.204   1.293   0.698
  104    HA   ASP  14           HA       ASP  14 -11.107  -0.910   0.408
  105    HB2  ASP  14           HB2      ASP  14 -10.476   1.405  -1.436
  106    HB3  ASP  14           HB3      ASP  14 -11.669   0.159  -1.773
  Start of MODEL   13
    1    H1   GLY   1           H        GLY   1  -7.844  -0.914   0.760
    2    HA2  GLY   1           HA2      GLY   1  -8.437  -3.533  -0.372
    3    HA3  GLY   1           HA3      GLY   1  -7.908  -2.252  -1.446
    4    H    ARG   2           H        ARG   2  -5.941  -2.648  -2.034
    5    HA   ARG   2           HA       ARG   2  -4.151  -4.175  -0.351
    6    HB2  ARG   2           HB2      ARG   2  -3.935  -3.194  -3.170
    7    HB3  ARG   2           HB3      ARG   2  -2.612  -3.978  -2.330
    8    HG2  ARG   2           HG2      ARG   2  -4.002  -5.970  -2.048
    9    HG3  ARG   2           HG3      ARG   2  -5.297  -5.171  -2.949
   10    HD2  ARG   2           HD2      ARG   2  -3.953  -6.671  -4.371
   11    HD3  ARG   2           HD3      ARG   2  -3.889  -4.991  -4.897
   12    HE   ARG   2           HE       ARG   2  -1.724  -5.464  -3.183
   13   HH11  ARG   2          1HH1      ARG   2  -2.781  -6.543  -6.378
   14   HH12  ARG   2          2HH1      ARG   2  -1.209  -6.647  -7.024
   15   HH21  ARG   2          1HH2      ARG   2   0.413  -5.577  -4.059
   16   HH22  ARG   2          2HH2      ARG   2   0.655  -6.102  -5.667
   17    H    RVJ   3           H        AZA   3  -2.020  -3.605   0.016
   18    HA   RVJ   3           HA       AZA   3  -1.237  -0.880  -0.427
   19    HB3  RVJ   3           HB3      AZA   3  -0.935  -2.262   2.249
   20    HB2  RVJ   3           HB2      AZA   3  -2.053  -0.978   1.941
   21    H    THR   4           H        THR   4   0.564  -0.832  -1.394
   22    HA   THR   4           HA       THR   4   2.087  -3.246  -1.772
   23    HB   THR   4           HB       THR   4   2.631  -0.449  -2.759
   24    HG1  THR   4           HG3      THR   4   1.555  -1.574  -4.705
   25   HG21  THR   4          HG21      THR   4   3.366  -3.160  -3.873
   26   HG22  THR   4          HG22      THR   4   4.472  -2.050  -3.060
   27   HG23  THR   4          HG23      THR   4   3.769  -1.610  -4.615
   28    H    LYS   5           H        LYS   5   4.093  -3.639  -0.888
   29    HA   LYS   5           HA       LYS   5   4.811  -2.014   1.387
   30    HB2  LYS   5           HB2      LYS   5   6.010  -4.617   0.428
   31    HB3  LYS   5           HB3      LYS   5   6.310  -3.853   1.981
   32    HG2  LYS   5           HG2      LYS   5   3.662  -4.940   1.031
   33    HG3  LYS   5           HG3      LYS   5   4.741  -5.704   2.200
   34    HD2  LYS   5           HD2      LYS   5   4.456  -3.801   3.714
   35    HD3  LYS   5           HD3      LYS   5   3.435  -3.020   2.497
   36    HE2  LYS   5           HE2      LYS   5   1.772  -4.726   2.706
   37    HE3  LYS   5           HE3      LYS   5   2.806  -5.670   3.775
   38    HZ1  LYS   5           HZ1      LYS   5   1.751  -2.962   4.438
   39    HZ2  LYS   5           HZ2      LYS   5   2.579  -4.006   5.478
   40    HZ3  LYS   5           HZ3      LYS   5   1.059  -4.404   4.917
   41    H    SER   6           H        SER   6   5.682  -2.309  -1.703
   42    HA   SER   6           HA       SER   6   8.429  -1.441  -1.466
   43    HB2  SER   6           HB2      SER   6   6.636  -1.470  -3.910
   44    HB3  SER   6           HB3      SER   6   8.391  -1.270  -3.908
   45    HG   SER   6           HG       SER   6   7.038  -3.529  -2.868
   46    H    ILE   7           H        ILE   7   9.174   0.643  -1.635
   47    HA   ILE   7           HA       ILE   7   7.153   2.683  -1.188
   48    HB   ILE   7           HB       ILE   7   9.004   4.123  -0.434
   49   HG12  ILE   7          HG12      ILE   7  10.794   1.731  -0.949
   50   HG13  ILE   7          HG13      ILE   7  10.746   3.176  -1.954
   51   HG21  ILE   7          HG21      ILE   7   7.899   2.674   1.188
   52   HG22  ILE   7          HG22      ILE   7   9.608   2.860   1.575
   53   HG23  ILE   7          HG23      ILE   7   9.035   1.380   0.812
   54   HD11  ILE   7          HD11      ILE   7  12.639   3.201  -0.450
   55   HD12  ILE   7          HD12      ILE   7  11.561   3.044   0.938
   56   HD13  ILE   7          HD13      ILE   7  11.515   4.501  -0.057
   57    HA   PRO   8           HA       PRO   8   7.035   5.067  -1.235
   58    HB2  PRO   8           HB2      PRO   8   5.210   6.100  -3.297
   59    HB3  PRO   8           HB3      PRO   8   6.194   7.000  -2.143
   60    HG2  PRO   8           HG2      PRO   8   6.753   6.947  -4.781
   61    HG3  PRO   8           HG3      PRO   8   8.017   7.070  -3.545
   62    HD2  PRO   8           HD2      PRO   8   7.151   4.709  -5.158
   63    HD3  PRO   8           HD3      PRO   8   8.774   5.197  -4.652
   64    HA   PRO   9           HA       PRO   9   4.139   1.761  -1.114
   65    HB2  PRO   9           HB2      PRO   9   3.018   2.262   1.284
   66    HB3  PRO   9           HB3      PRO   9   4.675   1.672   1.126
   67    HG2  PRO   9           HG2      PRO   9   3.687   4.448   1.585
   68    HG3  PRO   9           HG3      PRO   9   5.040   3.606   2.364
   69    HD2  PRO   9           HD2      PRO   9   5.367   5.380   0.327
   70    HD3  PRO   9           HD3      PRO   9   6.471   4.019   0.610
   71    H    ILE  10           H        ILE  10   2.365   1.637  -2.252
   72    HA   ILE  10           HA       ILE  10   0.416   3.823  -2.240
   73    HB   ILE  10           HB       ILE  10   0.629   1.397  -4.060
   74   HG12  ILE  10          HG12      ILE  10   1.321   4.285  -4.656
   75   HG13  ILE  10          HG13      ILE  10   2.498   3.020  -4.353
   76   HG21  ILE  10          HG21      ILE  10  -1.017   2.555  -5.471
   77   HG22  ILE  10          HG22      ILE  10  -1.144   3.834  -4.266
   78   HG23  ILE  10          HG23      ILE  10  -1.664   2.198  -3.869
   79   HD11  ILE  10          HD11      ILE  10   0.551   3.141  -6.647
   80   HD12  ILE  10          HD12      ILE  10   1.702   1.838  -6.356
   81   HD13  ILE  10          HD13      ILE  10   2.283   3.462  -6.727
   82    H1A  2AG  11           HD       PRG  11   0.639   2.864   1.918
   83    HB2  2AG  11           HB2      PRG  11  -1.970   2.623   1.837
   84    HB3  2AG  11           HB3      PRG  11  -2.690   1.026   1.837
   85    HA   2AG  11           HA       PRG  11  -2.230   0.800  -0.557
   86    H    2AG  11           H        PRG  11  -1.198   3.520  -0.730
   87    H    PHE  12           H        PHE  12  -4.287   0.546  -0.357
   88    HA   PHE  12           HA       PHE  12  -5.995   2.919  -0.534
   89    HB2  PHE  12           HB2      PHE  12  -6.541   0.086  -1.492
   90    HB3  PHE  12           HB3      PHE  12  -7.591   1.474  -1.717
   91    HD1  PHE  12           HD1      PHE  12  -4.653  -0.280  -2.933
   92    HD2  PHE  12           HD2      PHE  12  -6.958   3.282  -3.278
   93    HE1  PHE  12           HE3      PHE  12  -3.527   0.238  -5.046
   94    HE2  PHE  12           HE2      PHE  12  -5.835   3.802  -5.399
   95    HZ   PHE  12           HZ       PHE  12  -4.114   2.287  -6.287
   96    HA   PRO  13           HA       PRO  13  -6.971   1.680   3.586
   97    HB2  PRO  13           HB2      PRO  13  -9.414   2.920   3.851
   98    HB3  PRO  13           HB3      PRO  13  -7.857   3.741   4.004
   99    HG2  PRO  13           HG2      PRO  13  -9.708   3.614   1.660
  100    HG3  PRO  13           HG3      PRO  13  -8.767   4.985   2.273
  101    HD2  PRO  13           HD2      PRO  13  -8.006   3.568   0.116
  102    HD3  PRO  13           HD3      PRO  13  -6.823   4.264   1.238
  103    H    ASP  14           H        ASP  14  -9.048   0.985   1.014
  104    HA   ASP  14           HA       ASP  14 -10.540  -1.011   2.600
  105    HB2  ASP  14           HB2      ASP  14 -12.228  -0.969   0.827
  106    HB3  ASP  14           HB3      ASP  14 -11.947   0.652   1.455
  Start of MODEL   14
    1    H1   GLY   1           H        GLY   1  -7.764  -0.815  -0.100
    2    HA2  GLY   1           HA2      GLY   1  -7.944  -3.193  -1.750
    3    HA3  GLY   1           HA3      GLY   1  -6.758  -1.978  -2.220
    4    H    ARG   2           H        ARG   2  -4.785  -2.440  -1.520
    5    HA   ARG   2           HA       ARG   2  -4.472  -3.573   1.181
    6    HB2  ARG   2           HB2      ARG   2  -2.834  -4.275  -1.248
    7    HB3  ARG   2           HB3      ARG   2  -2.724  -4.997   0.341
    8    HG2  ARG   2           HG2      ARG   2  -4.839  -6.082   0.092
    9    HG3  ARG   2           HG3      ARG   2  -5.164  -5.212  -1.409
   10    HD2  ARG   2           HD2      ARG   2  -2.996  -7.249  -0.935
   11    HD3  ARG   2           HD3      ARG   2  -4.457  -7.477  -1.895
   12    HE   ARG   2           HE       ARG   2  -2.543  -5.382  -2.630
   13   HH11  ARG   2          1HH1      ARG   2  -4.240  -8.347  -3.534
   14   HH12  ARG   2          2HH1      ARG   2  -3.565  -8.411  -5.093
   15   HH21  ARG   2          1HH2      ARG   2  -1.675  -5.426  -4.742
   16   HH22  ARG   2          2HH2      ARG   2  -2.062  -6.688  -5.817
   17    H    RVJ   3           H        AZA   3  -2.020  -3.393   1.673
   18    HA   RVJ   3           HA       AZA   3  -1.006  -0.824   0.724
   19    HB3  RVJ   3           HB3      AZA   3  -0.584  -2.067   3.450
   20    HB2  RVJ   3           HB2      AZA   3  -1.669  -0.757   3.128
   21    H    THR   4           H        THR   4   0.400  -1.291  -0.760
   22    HA   THR   4           HA       THR   4   2.133  -3.556  -0.444
   23    HB   THR   4           HB       THR   4   1.301  -3.001  -2.685
   24    HG1  THR   4           HG3      THR   4   3.007  -3.981  -3.128
   25   HG21  THR   4          HG21      THR   4   2.954  -0.476  -2.436
   26   HG22  THR   4          HG22      THR   4   1.196  -0.553  -2.545
   27   HG23  THR   4          HG23      THR   4   2.188  -1.040  -3.920
   28    H    LYS   5           H        LYS   5   4.289  -3.450  -0.054
   29    HA   LYS   5           HA       LYS   5   5.226  -0.941   1.084
   30    HB2  LYS   5           HB2      LYS   5   6.322  -3.749   1.226
   31    HB3  LYS   5           HB3      LYS   5   6.994  -2.354   2.065
   32    HG2  LYS   5           HG2      LYS   5   5.159  -2.151   3.473
   33    HG3  LYS   5           HG3      LYS   5   4.136  -3.139   2.430
   34    HD2  LYS   5           HD2      LYS   5   5.461  -5.040   2.906
   35    HD3  LYS   5           HD3      LYS   5   6.508  -4.115   4.004
   36    HE2  LYS   5           HE2      LYS   5   4.538  -3.618   5.410
   37    HE3  LYS   5           HE3      LYS   5   3.525  -4.542   4.316
   38    HZ1  LYS   5           HZ1      LYS   5   4.838  -6.517   4.877
   39    HZ2  LYS   5           HZ2      LYS   5   4.066  -5.871   6.198
   40    HZ3  LYS   5           HZ3      LYS   5   5.720  -5.624   6.005
   41    H    SER   6           H        SER   6   5.073  -2.035  -1.836
   42    HA   SER   6           HA       SER   6   7.778  -1.717  -2.761
   43    HB2  SER   6           HB2      SER   6   5.194  -1.505  -4.337
   44    HB3  SER   6           HB3      SER   6   6.800  -1.897  -4.960
   45    HG   SER   6           HG       SER   6   4.996  -3.439  -3.508
   46    H    ILE   7           H        ILE   7   8.697   0.246  -2.687
   47    HA   ILE   7           HA       ILE   7   7.187   2.499  -1.957
   48    HB   ILE   7           HB       ILE   7   9.259   3.807  -2.073
   49   HG12  ILE   7          HG12      ILE   7  10.519   1.248  -3.106
   50   HG13  ILE   7          HG13      ILE   7  10.267   2.708  -4.052
   51   HG21  ILE   7          HG21      ILE   7  10.484   2.536  -0.367
   52   HG22  ILE   7          HG22      ILE   7   9.509   1.115  -0.743
   53   HG23  ILE   7          HG23      ILE   7   8.747   2.557  -0.069
   54   HD11  ILE   7          HD11      ILE   7  12.027   2.475  -1.622
   55   HD12  ILE   7          HD12      ILE   7  11.811   3.919  -2.616
   56   HD13  ILE   7          HD13      ILE   7  12.574   2.481  -3.297
   57    HA   PRO   8           HA       PRO   8   7.031   4.584  -1.843
   58    HB2  PRO   8           HB2      PRO   8   4.931   6.206  -2.387
   59    HB3  PRO   8           HB3      PRO   8   6.594   6.671  -2.755
   60    HG2  PRO   8           HG2      PRO   8   4.481   5.609  -4.577
   61    HG3  PRO   8           HG3      PRO   8   5.671   6.889  -4.865
   62    HD2  PRO   8           HD2      PRO   8   5.939   4.324  -5.784
   63    HD3  PRO   8           HD3      PRO   8   7.310   5.396  -5.449
   64    HA   PRO   9           HA       PRO   9   3.942   1.582  -0.929
   65    HB2  PRO   9           HB2      PRO   9   3.525   2.026   1.684
   66    HB3  PRO   9           HB3      PRO   9   5.035   1.334   1.074
   67    HG2  PRO   9           HG2      PRO   9   4.381   4.116   1.847
   68    HG3  PRO   9           HG3      PRO   9   5.826   3.178   2.283
   69    HD2  PRO   9           HD2      PRO   9   5.862   4.988   0.229
   70    HD3  PRO   9           HD3      PRO   9   6.839   3.507   0.199
   71    H    ILE  10           H        ILE  10   2.071   1.865  -1.777
   72    HA   ILE  10           HA       ILE  10   0.419   4.115  -0.910
   73    HB   ILE  10           HB       ILE  10  -0.043   2.268  -3.286
   74   HG12  ILE  10          HG12      ILE  10   1.064   5.093  -3.258
   75   HG13  ILE  10          HG13      ILE  10   2.017   3.644  -3.545
   76   HG21  ILE  10          HG21      ILE  10  -1.673   3.974  -3.971
   77   HG22  ILE  10          HG22      ILE  10  -1.303   4.913  -2.528
   78   HG23  ILE  10          HG23      ILE  10  -2.073   3.332  -2.376
   79   HD11  ILE  10          HD11      ILE  10   0.732   3.206  -5.575
   80   HD12  ILE  10          HD12      ILE  10   1.494   4.796  -5.617
   81   HD13  ILE  10          HD13      ILE  10  -0.230   4.654  -5.276
   82    H1A  2AG  11           HD       PRG  11   1.209   2.960   2.871
   83    HB2  2AG  11           HB2      PRG  11  -1.525   2.788   3.056
   84    HB3  2AG  11           HB3      PRG  11  -2.241   1.190   3.190
   85    HA   2AG  11           HA       PRG  11  -1.825   0.873   0.749
   86    H    2AG  11           H        PRG  11  -0.910   3.617   0.662
   87    H    PHE  12           H        PHE  12  -3.543   0.693  -0.240
   88    HA   PHE  12           HA       PHE  12  -5.582   2.736  -0.325
   89    HB2  PHE  12           HB2      PHE  12  -5.675  -0.107  -1.357
   90    HB3  PHE  12           HB3      PHE  12  -6.733   1.210  -1.809
   91    HD1  PHE  12           HD1      PHE  12  -3.515  -0.406  -2.331
   92    HD2  PHE  12           HD2      PHE  12  -5.948   2.927  -3.371
   93    HE1  PHE  12           HE3      PHE  12  -2.102   0.005  -4.290
   94    HE2  PHE  12           HE2      PHE  12  -4.532   3.355  -5.322
   95    HZ   PHE  12           HZ       PHE  12  -2.603   1.889  -5.794
   96    HA   PRO  13           HA       PRO  13  -7.615   0.591   3.158
   97    HB2  PRO  13           HB2      PRO  13  -9.791   2.219   3.309
   98    HB3  PRO  13           HB3      PRO  13  -8.227   2.638   4.006
   99    HG2  PRO  13           HG2      PRO  13  -9.460   3.569   1.448
  100    HG3  PRO  13           HG3      PRO  13  -8.505   4.480   2.628
  101    HD2  PRO  13           HD2      PRO  13  -7.509   3.508   0.281
  102    HD3  PRO  13           HD3      PRO  13  -6.514   3.793   1.723
  103    H    ASP  14           H        ASP  14  -8.631   1.340   0.065
  104    HA   ASP  14           HA       ASP  14 -10.971  -0.407  -0.002
  105    HB2  ASP  14           HB2      ASP  14 -11.226   0.437  -2.297
  106    HB3  ASP  14           HB3      ASP  14 -11.120   1.752  -1.133
  Start of MODEL   15
    1    H1   GLY   1           H        GLY   1  -7.682  -1.081   0.924
    2    HA2  GLY   1           HA2      GLY   1  -6.934  -2.825   2.365
    3    HA3  GLY   1           HA3      GLY   1  -8.023  -3.929   1.526
    4    H    ARG   2           H        ARG   2  -5.713  -1.623   0.238
    5    HA   ARG   2           HA       ARG   2  -4.111  -3.828  -0.811
    6    HB2  ARG   2           HB2      ARG   2  -5.188  -1.529  -2.416
    7    HB3  ARG   2           HB3      ARG   2  -3.918  -2.592  -2.970
    8    HG2  ARG   2           HG2      ARG   2  -6.693  -3.562  -2.283
    9    HG3  ARG   2           HG3      ARG   2  -6.210  -3.062  -3.901
   10    HD2  ARG   2           HD2      ARG   2  -6.065  -5.465  -3.762
   11    HD3  ARG   2           HD3      ARG   2  -4.438  -4.807  -3.858
   12    HE   ARG   2           HE       ARG   2  -5.352  -5.277  -1.178
   13   HH11  ARG   2          1HH1      ARG   2  -3.885  -6.840  -3.994
   14   HH12  ARG   2          2HH1      ARG   2  -3.095  -8.047  -3.104
   15   HH21  ARG   2          1HH2      ARG   2  -4.268  -6.920   0.062
   16   HH22  ARG   2          2HH2      ARG   2  -3.304  -8.083  -0.726
   17    H    RVJ   3           H        AZA   3  -2.352  -3.420   0.236
   18    HA   RVJ   3           HA       AZA   3  -1.086  -0.813  -0.122
   19    HB3  RVJ   3           HB3      AZA   3  -0.859  -2.452   2.409
   20    HB2  RVJ   3           HB2      AZA   3  -1.937  -1.106   2.255
   21    H    THR   4           H        THR   4   0.910  -0.917  -0.866
   22    HA   THR   4           HA       THR   4   2.008  -3.582  -1.170
   23    HB   THR   4           HB       THR   4   1.606  -2.460  -3.286
   24    HG1  THR   4           HG3      THR   4   3.392  -3.744  -3.342
   25   HG21  THR   4          HG21      THR   4   3.476  -0.295  -2.288
   26   HG22  THR   4          HG22      THR   4   1.741  -0.117  -2.549
   27   HG23  THR   4          HG23      THR   4   2.813  -0.400  -3.920
   28    H    LYS   5           H        LYS   5   4.210  -3.963  -0.723
   29    HA   LYS   5           HA       LYS   5   5.393  -2.195   1.225
   30    HB2  LYS   5           HB2      LYS   5   7.008  -4.037   1.522
   31    HB3  LYS   5           HB3      LYS   5   5.343  -4.584   1.671
   32    HG2  LYS   5           HG2      LYS   5   5.523  -5.251  -0.773
   33    HG3  LYS   5           HG3      LYS   5   7.262  -5.035  -0.573
   34    HD2  LYS   5           HD2      LYS   5   7.201  -6.635   1.310
   35    HD3  LYS   5           HD3      LYS   5   5.466  -6.817   0.994
   36    HE2  LYS   5           HE2      LYS   5   6.744  -8.661  -0.018
   37    HE3  LYS   5           HE3      LYS   5   5.916  -7.676  -1.223
   38    HZ1  LYS   5           HZ1      LYS   5   8.167  -8.202  -1.902
   39    HZ2  LYS   5           HZ2      LYS   5   8.785  -7.513  -0.514
   40    HZ3  LYS   5           HZ3      LYS   5   8.035  -6.537  -1.656
   41    H    SER   6           H        SER   6   5.245  -2.163  -1.920
   42    HA   SER   6           HA       SER   6   7.928  -1.649  -2.742
   43    HB2  SER   6           HB2      SER   6   6.198  -2.353  -4.323
   44    HB3  SER   6           HB3      SER   6   5.231  -0.938  -3.916
   45    HG   SER   6           HG       SER   6   6.154  -0.390  -5.687
   46    H    ILE   7           H        ILE   7   8.760   0.467  -3.142
   47    HA   ILE   7           HA       ILE   7   7.369   2.516  -1.600
   48    HB   ILE   7           HB       ILE   7   9.583   3.614  -1.166
   49   HG12  ILE   7          HG12      ILE   7  10.732   0.993  -2.170
   50   HG13  ILE   7          HG13      ILE   7  10.857   2.541  -2.998
   51   HG21  ILE   7          HG21      ILE   7   8.516   2.308   0.565
   52   HG22  ILE   7          HG22      ILE   7  10.263   2.080   0.636
   53   HG23  ILE   7          HG23      ILE   7   9.240   0.831  -0.070
   54   HD11  ILE   7          HD11      ILE   7  12.921   1.979  -1.835
   55   HD12  ILE   7          HD12      ILE   7  12.043   1.871  -0.310
   56   HD13  ILE   7          HD13      ILE   7  12.180   3.422  -1.140
   57    HA   PRO   8           HA       PRO   8   7.225   4.682  -1.304
   58    HB2  PRO   8           HB2      PRO   8   5.131   6.130  -2.733
   59    HB3  PRO   8           HB3      PRO   8   6.430   6.777  -1.729
   60    HG2  PRO   8           HG2      PRO   8   6.355   7.125  -4.406
   61    HG3  PRO   8           HG3      PRO   8   7.873   6.982  -3.504
   62    HD2  PRO   8           HD2      PRO   8   6.426   4.911  -5.108
   63    HD3  PRO   8           HD3      PRO   8   8.161   5.292  -5.064
   64    HA   PRO   9           HA       PRO   9   3.870   1.789  -1.256
   65    HB2  PRO   9           HB2      PRO   9   3.321   1.751   1.334
   66    HB3  PRO   9           HB3      PRO   9   4.854   1.135   0.702
   67    HG2  PRO   9           HG2      PRO   9   4.234   3.717   2.024
   68    HG3  PRO   9           HG3      PRO   9   5.652   2.676   2.256
   69    HD2  PRO   9           HD2      PRO   9   5.615   4.927   0.620
   70    HD3  PRO   9           HD3      PRO   9   6.758   3.578   0.454
   71    H    ILE  10           H        ILE  10   2.058   2.363  -2.108
   72    HA   ILE  10           HA       ILE  10   0.453   4.438  -0.797
   73    HB   ILE  10           HB       ILE  10  -0.018   3.236  -3.543
   74   HG12  ILE  10          HG12      ILE  10   1.183   5.922  -2.822
   75   HG13  ILE  10          HG13      ILE  10   2.066   4.565  -3.514
   76   HG21  ILE  10          HG21      ILE  10  -1.577   5.122  -3.806
   77   HG22  ILE  10          HG22      ILE  10  -1.227   5.629  -2.153
   78   HG23  ILE  10          HG23      ILE  10  -2.028   4.086  -2.450
   79   HD11  ILE  10          HD11      ILE  10   0.713   4.705  -5.533
   80   HD12  ILE  10          HD12      ILE  10   1.512   6.245  -5.207
   81   HD13  ILE  10          HD13      ILE  10  -0.197   6.040  -4.838
   82    H1A  2AG  11           HD       PRG  11   0.962   2.595   2.468
   83    HB2  2AG  11           HB2      PRG  11  -1.789   2.381   2.665
   84    HB3  2AG  11           HB3      PRG  11  -2.506   0.800   2.407
   85    HA   2AG  11           HA       PRG  11  -2.055   0.995  -0.007
   86    H    2AG  11           H        PRG  11  -0.925   3.600   0.590
   87    H    PHE  12           H        PHE  12  -4.028   0.927  -0.526
   88    HA   PHE  12           HA       PHE  12  -5.685   3.318  -0.249
   89    HB2  PHE  12           HB2      PHE  12  -6.109   0.819  -1.908
   90    HB3  PHE  12           HB3      PHE  12  -7.173   2.217  -1.896
   91    HD1  PHE  12           HD1      PHE  12  -6.172   4.458  -2.614
   92    HD2  PHE  12           HD2      PHE  12  -4.318   0.705  -3.382
   93    HE1  PHE  12           HE3      PHE  12  -4.844   5.482  -4.408
   94    HE2  PHE  12           HE2      PHE  12  -2.990   1.728  -5.173
   95    HZ   PHE  12           HZ       PHE  12  -3.248   4.120  -5.686
   96    HA   PRO  13           HA       PRO  13  -8.156   1.515   2.981
   97    HB2  PRO  13           HB2      PRO  13 -10.557   2.717   2.456
   98    HB3  PRO  13           HB3      PRO  13  -9.202   3.552   3.221
   99    HG2  PRO  13           HG2      PRO  13 -10.057   3.575   0.348
  100    HG3  PRO  13           HG3      PRO  13  -9.561   4.932   1.375
  101    HD2  PRO  13           HD2      PRO  13  -7.882   3.836  -0.397
  102    HD3  PRO  13           HD3      PRO  13  -7.308   4.420   1.180
  103    H    ASP  14           H        ASP  14  -8.556   0.830  -0.222
  104    HA   ASP  14           HA       ASP  14 -10.868  -0.877  -0.174
  105    HB2  ASP  14           HB2      ASP  14 -10.005   0.053  -2.296
  106    HB3  ASP  14           HB3      ASP  14  -8.496  -0.818  -2.073
  Start of MODEL   16
    1    H1   GLY   1           H        GLY   1  -7.845  -0.981   0.491
    2    HA2  GLY   1           HA2      GLY   1  -8.582  -3.740   0.180
    3    HA3  GLY   1           HA3      GLY   1  -8.165  -2.916  -1.308
    4    H    ARG   2           H        ARG   2  -6.023  -2.433  -1.724
    5    HA   ARG   2           HA       ARG   2  -4.253  -4.118  -0.110
    6    HB2  ARG   2           HB2      ARG   2  -3.907  -3.234  -2.966
    7    HB3  ARG   2           HB3      ARG   2  -2.809  -4.270  -2.076
    8    HG2  ARG   2           HG2      ARG   2  -4.644  -5.931  -1.856
    9    HG3  ARG   2           HG3      ARG   2  -5.639  -4.896  -2.882
   10    HD2  ARG   2           HD2      ARG   2  -3.010  -6.176  -3.635
   11    HD3  ARG   2           HD3      ARG   2  -4.607  -6.652  -4.207
   12    HE   ARG   2           HE       ARG   2  -4.375  -4.021  -4.887
   13   HH11  ARG   2          1HH1      ARG   2  -2.488  -6.916  -5.578
   14   HH12  ARG   2          2HH1      ARG   2  -1.948  -6.406  -7.107
   15   HH21  ARG   2          1HH2      ARG   2  -3.605  -3.272  -6.999
   16   HH22  ARG   2          2HH2      ARG   2  -2.612  -4.292  -7.939
   17    H    RVJ   3           H        AZA   3  -2.218  -3.545   0.348
   18    HA   RVJ   3           HA       AZA   3  -1.256  -0.890  -0.280
   19    HB3  RVJ   3           HB3      AZA   3  -1.094  -2.115   2.490
   20    HB2  RVJ   3           HB2      AZA   3  -2.107  -0.772   2.082
   21    H    THR   4           H        THR   4   0.367  -1.267  -1.489
   22    HA   THR   4           HA       THR   4   1.796  -3.749  -1.352
   23    HB   THR   4           HB       THR   4   2.429  -1.343  -3.024
   24    HG1  THR   4           HG3      THR   4   0.490  -3.402  -3.537
   25   HG21  THR   4          HG21      THR   4   3.999  -3.235  -3.112
   26   HG22  THR   4          HG22      THR   4   3.156  -3.056  -4.650
   27   HG23  THR   4          HG23      THR   4   2.674  -4.322  -3.523
   28    H    LYS   5           H        LYS   5   3.707  -3.982  -0.304
   29    HA   LYS   5           HA       LYS   5   4.818  -1.641   0.971
   30    HB2  LYS   5           HB2      LYS   5   5.562  -4.547   1.438
   31    HB3  LYS   5           HB3      LYS   5   6.284  -3.186   2.263
   32    HG2  LYS   5           HG2      LYS   5   4.756  -3.921   3.835
   33    HG3  LYS   5           HG3      LYS   5   3.846  -2.656   3.019
   34    HD2  LYS   5           HD2      LYS   5   2.388  -4.530   3.299
   35    HD3  LYS   5           HD3      LYS   5   2.817  -4.460   1.588
   36    HE2  LYS   5           HE2      LYS   5   4.536  -6.191   1.962
   37    HE3  LYS   5           HE3      LYS   5   4.097  -6.243   3.662
   38    HZ1  LYS   5           HZ1      LYS   5   2.313  -6.992   1.399
   39    HZ2  LYS   5           HZ2      LYS   5   1.917  -7.068   3.042
   40    HZ3  LYS   5           HZ3      LYS   5   3.131  -8.045   2.429
   41    H    SER   6           H        SER   6   5.414  -0.829  -0.932
   42    HA   SER   6           HA       SER   6   8.164  -1.351  -1.569
   43    HB2  SER   6           HB2      SER   6   5.992  -1.169  -3.705
   44    HB3  SER   6           HB3      SER   6   7.729  -1.329  -3.986
   45    HG   SER   6           HG       SER   6   7.068  -3.262  -2.391
   46    H    ILE   7           H        ILE   7   9.081   0.689  -1.964
   47    HA   ILE   7           HA       ILE   7   7.185   2.812  -1.343
   48    HB   ILE   7           HB       ILE   7   9.096   4.091  -0.458
   49   HG12  ILE   7          HG12      ILE   7  10.675   1.573  -1.051
   50   HG13  ILE   7          HG13      ILE   7  10.848   3.099  -1.904
   51   HG21  ILE   7          HG21      ILE   7   7.785   2.682   1.037
   52   HG22  ILE   7          HG22      ILE   7   9.484   2.628   1.521
   53   HG23  ILE   7          HG23      ILE   7   8.771   1.289   0.619
   54   HD11  ILE   7          HD11      ILE   7  12.638   2.753  -0.288
   55   HD12  ILE   7          HD12      ILE   7  11.449   2.636   1.012
   56   HD13  ILE   7          HD13      ILE   7  11.656   4.152   0.138
   57    HA   PRO   8           HA       PRO   8   7.262   5.176  -1.241
   58    HB2  PRO   8           HB2      PRO   8   5.589   6.431  -3.347
   59    HB3  PRO   8           HB3      PRO   8   6.514   7.207  -2.059
   60    HG2  PRO   8           HG2      PRO   8   7.323   7.348  -4.591
   61    HG3  PRO   8           HG3      PRO   8   8.491   7.144  -3.273
   62    HD2  PRO   8           HD2      PRO   8   7.381   5.071  -5.141
   63    HD3  PRO   8           HD3      PRO   8   9.060   5.334  -4.628
   64    HA   PRO   9           HA       PRO   9   4.224   2.023  -1.212
   65    HB2  PRO   9           HB2      PRO   9   3.026   2.527   1.149
   66    HB3  PRO   9           HB3      PRO   9   4.664   1.882   1.021
   67    HG2  PRO   9           HG2      PRO   9   3.765   4.676   1.546
   68    HG3  PRO   9           HG3      PRO   9   5.101   3.774   2.280
   69    HD2  PRO   9           HD2      PRO   9   5.403   5.611   0.274
   70    HD3  PRO   9           HD3      PRO   9   6.534   4.273   0.562
   71    H    ILE  10           H        ILE  10   2.426   1.736  -2.211
   72    HA   ILE  10           HA       ILE  10   0.425   3.877  -2.319
   73    HB   ILE  10           HB       ILE  10   0.717   1.406  -4.064
   74   HG12  ILE  10          HG12      ILE  10   1.353   4.275  -4.729
   75   HG13  ILE  10          HG13      ILE  10   2.567   3.064  -4.337
   76   HG21  ILE  10          HG21      ILE  10  -0.922   2.512  -5.524
   77   HG22  ILE  10          HG22      ILE  10  -1.048   3.839  -4.374
   78   HG23  ILE  10          HG23      ILE  10  -1.589   2.223  -3.915
   79   HD11  ILE  10          HD11      ILE  10   0.684   3.016  -6.681
   80   HD12  ILE  10          HD12      ILE  10   1.889   1.782  -6.303
   81   HD13  ILE  10          HD13      ILE  10   2.403   3.417  -6.723
   82    H1A  2AG  11           HD       PRG  11   0.869   2.830   1.852
   83    HB2  2AG  11           HB2      PRG  11  -1.757   2.769   1.835
   84    HB3  2AG  11           HB3      PRG  11  -2.571   1.222   1.913
   85    HA   2AG  11           HA       PRG  11  -2.056   0.840  -0.463
   86    H    2AG  11           H        PRG  11  -0.990   3.540  -0.652
   87    H    PHE  12           H        PHE  12  -4.081   0.559  -0.357
   88    HA   PHE  12           HA       PHE  12  -5.830   2.883  -0.358
   89    HB2  PHE  12           HB2      PHE  12  -6.298   0.134  -1.553
   90    HB3  PHE  12           HB3      PHE  12  -7.403   1.494  -1.589
   91    HD1  PHE  12           HD1      PHE  12  -7.018   3.397  -3.059
   92    HD2  PHE  12           HD2      PHE  12  -4.371   0.070  -3.047
   93    HE1  PHE  12           HE3      PHE  12  -6.034   4.179  -5.165
   94    HE2  PHE  12           HE2      PHE  12  -3.378   0.854  -5.157
   95    HZ   PHE  12           HZ       PHE  12  -4.208   2.908  -6.216
   96    HA   PRO  13           HA       PRO  13  -6.758   0.928   3.585
   97    HB2  PRO  13           HB2      PRO  13  -9.103   2.712   3.574
   98    HB3  PRO  13           HB3      PRO  13  -7.791   2.616   4.752
   99    HG2  PRO  13           HG2      PRO  13  -8.019   4.691   3.057
  100    HG3  PRO  13           HG3      PRO  13  -6.441   4.059   3.558
  101    HD2  PRO  13           HD2      PRO  13  -7.909   3.646   0.978
  102    HD3  PRO  13           HD3      PRO  13  -6.174   3.883   1.285
  103    H    ASP  14           H        ASP  14  -8.773   1.280   0.899
  104    HA   ASP  14           HA       ASP  14 -10.962  -0.361   1.820
  105    HB2  ASP  14           HB2      ASP  14 -10.287   0.626  -0.953
  106    HB3  ASP  14           HB3      ASP  14 -11.746  -0.253  -0.535
  Start of MODEL   17
    1    H1   GLY   1           H        GLY   1  -7.837  -0.728   0.181
    2    HA2  GLY   1           HA2      GLY   1  -7.985  -3.088  -1.543
    3    HA3  GLY   1           HA3      GLY   1  -7.038  -1.693  -2.032
    4    H    ARG   2           H        ARG   2  -4.994  -2.287  -1.887
    5    HA   ARG   2           HA       ARG   2  -4.141  -3.788   0.495
    6    HB2  ARG   2           HB2      ARG   2  -2.833  -3.631  -2.213
    7    HB3  ARG   2           HB3      ARG   2  -2.350  -4.648  -0.871
    8    HG2  ARG   2           HG2      ARG   2  -4.402  -5.925  -1.076
    9    HG3  ARG   2           HG3      ARG   2  -4.939  -4.873  -2.387
   10    HD2  ARG   2           HD2      ARG   2  -2.502  -6.647  -2.389
   11    HD3  ARG   2           HD3      ARG   2  -4.001  -6.909  -3.280
   12    HE   ARG   2           HE       ARG   2  -3.298  -4.544  -4.216
   13   HH11  ARG   2          1HH1      ARG   2  -1.324  -7.442  -3.756
   14   HH12  ARG   2          2HH1      ARG   2  -0.288  -7.150  -5.061
   15   HH21  ARG   2          1HH2      ARG   2  -1.848  -4.100  -6.008
   16   HH22  ARG   2          2HH2      ARG   2  -0.592  -5.190  -6.385
   17    H    RVJ   3           H        AZA   3  -1.909  -3.352   1.094
   18    HA   RVJ   3           HA       AZA   3  -0.928  -0.726   0.331
   19    HB3  RVJ   3           HB3      AZA   3  -0.607  -2.009   3.060
   20    HB2  RVJ   3           HB2      AZA   3  -1.797  -0.798   2.722
   21    H    THR   4           H        THR   4   0.826  -0.950  -0.782
   22    HA   THR   4           HA       THR   4   2.041  -3.540  -0.845
   23    HB   THR   4           HB       THR   4   1.621  -2.423  -2.978
   24    HG1  THR   4           HG3      THR   4   3.300  -3.728  -3.260
   25   HG21  THR   4          HG21      THR   4   2.925  -0.441  -3.660
   26   HG22  THR   4          HG22      THR   4   3.614  -0.349  -2.040
   27   HG23  THR   4          HG23      THR   4   1.886  -0.089  -2.278
   28    H    LYS   5           H        LYS   5   4.306  -3.886  -0.711
   29    HA   LYS   5           HA       LYS   5   5.577  -2.372   1.432
   30    HB2  LYS   5           HB2      LYS   5   6.609  -4.835   0.014
   31    HB3  LYS   5           HB3      LYS   5   7.160  -4.200   1.553
   32    HG2  LYS   5           HG2      LYS   5   4.456  -5.413   1.012
   33    HG3  LYS   5           HG3      LYS   5   5.800  -6.210   1.826
   34    HD2  LYS   5           HD2      LYS   5   5.683  -4.527   3.612
   35    HD3  LYS   5           HD3      LYS   5   4.347  -3.748   2.753
   36    HE2  LYS   5           HE2      LYS   5   2.980  -5.739   2.999
   37    HE3  LYS   5           HE3      LYS   5   4.315  -6.586   3.772
   38    HZ1  LYS   5           HZ1      LYS   5   4.219  -5.025   5.593
   39    HZ2  LYS   5           HZ2      LYS   5   2.710  -5.751   5.395
   40    HZ3  LYS   5           HZ3      LYS   5   2.963  -4.180   4.870
   41    H    SER   6           H        SER   6   5.376  -2.269  -1.756
   42    HA   SER   6           HA       SER   6   8.102  -1.634  -2.481
   43    HB2  SER   6           HB2      SER   6   6.484  -2.721  -4.067
   44    HB3  SER   6           HB3      SER   6   5.529  -1.237  -4.023
   45    HG   SER   6           HG       SER   6   7.551  -1.858  -5.577
   46    H    ILE   7           H        ILE   7   8.799   0.454  -2.994
   47    HA   ILE   7           HA       ILE   7   7.219   2.560  -1.718
   48    HB   ILE   7           HB       ILE   7   9.392   3.856  -1.622
   49   HG12  ILE   7          HG12      ILE   7  10.606   1.149  -2.246
   50   HG13  ILE   7          HG13      ILE   7  10.623   2.535  -3.323
   51   HG21  ILE   7          HG21      ILE   7   8.473   2.837   0.353
   52   HG22  ILE   7          HG22      ILE   7  10.226   2.651   0.358
   53   HG23  ILE   7          HG23      ILE   7   9.196   1.288  -0.078
   54   HD11  ILE   7          HD11      ILE   7  11.995   3.758  -1.709
   55   HD12  ILE   7          HD12      ILE   7  12.761   2.250  -2.210
   56   HD13  ILE   7          HD13      ILE   7  11.971   2.360  -0.635
   57    HA   PRO   8           HA       PRO   8   7.055   4.741  -1.604
   58    HB2  PRO   8           HB2      PRO   8   5.011   6.314  -2.474
   59    HB3  PRO   8           HB3      PRO   8   6.698   6.828  -2.555
   60    HG2  PRO   8           HG2      PRO   8   4.954   5.717  -4.703
   61    HG3  PRO   8           HG3      PRO   8   6.133   7.038  -4.785
   62    HD2  PRO   8           HD2      PRO   8   6.643   4.516  -5.673
   63    HD3  PRO   8           HD3      PRO   8   7.901   5.602  -5.059
   64    HA   PRO   9           HA       PRO   9   3.831   1.764  -1.248
   65    HB2  PRO   9           HB2      PRO   9   3.232   1.969   1.339
   66    HB3  PRO   9           HB3      PRO   9   4.807   1.360   0.816
   67    HG2  PRO   9           HG2      PRO   9   4.027   4.054   1.779
   68    HG3  PRO   9           HG3      PRO   9   5.464   3.108   2.221
   69    HD2  PRO   9           HD2      PRO   9   5.517   5.117   0.323
   70    HD3  PRO   9           HD3      PRO   9   6.624   3.730   0.309
   71    H    ILE  10           H        ILE  10   1.892   2.028  -2.025
   72    HA   ILE  10           HA       ILE  10   0.301   4.205  -0.944
   73    HB   ILE  10           HB       ILE  10   0.621   4.425  -3.394
   74   HG12  ILE  10          HG12      ILE  10  -2.226   3.623  -2.754
   75   HG13  ILE  10          HG13      ILE  10  -1.507   5.170  -2.328
   76   HG21  ILE  10          HG21      ILE  10   0.968   2.122  -4.005
   77   HG22  ILE  10          HG22      ILE  10  -0.356   2.808  -4.955
   78   HG23  ILE  10          HG23      ILE  10  -0.705   1.737  -3.599
   79   HD11  ILE  10          HD11      ILE  10  -1.916   4.113  -5.119
   80   HD12  ILE  10          HD12      ILE  10  -1.193   5.666  -4.704
   81   HD13  ILE  10          HD13      ILE  10  -2.885   5.351  -4.319
   82    H1A  2AG  11           HD       PRG  11   0.724   3.169   2.536
   83    HB2  2AG  11           HB2      PRG  11  -1.992   2.725   2.656
   84    HB3  2AG  11           HB3      PRG  11  -2.561   1.068   2.672
   85    HA   2AG  11           HA       PRG  11  -2.136   0.896   0.255
   86    H    2AG  11           H        PRG  11  -1.306   3.677   0.306
   87    H    PHE  12           H        PHE  12  -4.029   0.705  -0.468
   88    HA   PHE  12           HA       PHE  12  -5.896   2.932  -0.423
   89    HB2  PHE  12           HB2      PHE  12  -6.234   0.127  -1.508
   90    HB3  PHE  12           HB3      PHE  12  -7.306   1.485  -1.798
   91    HD1  PHE  12           HD1      PHE  12  -4.244  -0.188  -2.778
   92    HD2  PHE  12           HD2      PHE  12  -6.569   3.349  -3.243
   93    HE1  PHE  12           HE3      PHE  12  -2.987   0.371  -4.806
   94    HE2  PHE  12           HE2      PHE  12  -5.315   3.909  -5.263
   95    HZ   PHE  12           HZ       PHE  12  -3.519   2.423  -6.055
   96    HA   PRO  13           HA       PRO  13  -7.587   1.377   3.395
   97    HB2  PRO  13           HB2      PRO  13 -10.067   2.563   3.237
   98    HB3  PRO  13           HB3      PRO  13  -8.609   3.402   3.774
   99    HG2  PRO  13           HG2      PRO  13  -9.933   3.435   1.095
  100    HG3  PRO  13           HG3      PRO  13  -9.183   4.768   1.990
  101    HD2  PRO  13           HD2      PRO  13  -7.949   3.529  -0.063
  102    HD3  PRO  13           HD3      PRO  13  -7.046   4.169   1.325
  103    H    ASP  14           H        ASP  14  -9.170   1.122   0.417
  104    HA   ASP  14           HA       ASP  14 -10.857  -1.126   1.283
  105    HB2  ASP  14           HB2      ASP  14 -12.035  -0.778  -0.855
  106    HB3  ASP  14           HB3      ASP  14 -12.008   0.690   0.118
  Start of MODEL   18
    1    H1   GLY   1           H        GLY   1  -7.910  -1.043   0.593
    2    HA2  GLY   1           HA2      GLY   1  -8.329  -3.486  -0.900
    3    HA3  GLY   1           HA3      GLY   1  -7.440  -2.203  -1.712
    4    H    ARG   2           H        ARG   2  -5.466  -3.053  -1.781
    5    HA   ARG   2           HA       ARG   2  -4.317  -4.326   0.594
    6    HB2  ARG   2           HB2      ARG   2  -2.670  -5.217  -0.858
    7    HB3  ARG   2           HB3      ARG   2  -4.169  -5.301  -1.777
    8    HG2  ARG   2           HG2      ARG   2  -3.546  -3.247  -2.981
    9    HG3  ARG   2           HG3      ARG   2  -2.057  -3.164  -2.054
   10    HD2  ARG   2           HD2      ARG   2  -1.500  -5.443  -3.012
   11    HD3  ARG   2           HD3      ARG   2  -2.869  -5.193  -4.103
   12    HE   ARG   2           HE       ARG   2  -0.901  -3.069  -4.014
   13   HH11  ARG   2          1HH1      ARG   2  -2.043  -5.929  -5.818
   14   HH12  ARG   2          2HH1      ARG   2  -1.142  -5.520  -7.209
   15   HH21  ARG   2          1HH2      ARG   2   0.279  -2.566  -5.927
   16   HH22  ARG   2          2HH2      ARG   2   0.182  -3.601  -7.274
   17    H    RVJ   3           H        AZA   3  -2.037  -3.719   1.098
   18    HA   RVJ   3           HA       AZA   3  -1.447  -0.981   0.313
   19    HB3  RVJ   3           HB3      AZA   3  -0.449  -2.438   2.756
   20    HB2  RVJ   3           HB2      AZA   3  -1.622  -1.172   2.782
   21    H    THR   4           H        THR   4  -0.066  -0.820  -1.234
   22    HA   THR   4           HA       THR   4   1.717  -3.000  -1.836
   23    HB   THR   4           HB       THR   4   1.721  -0.249  -2.965
   24    HG1  THR   4           HG3      THR   4  -0.310  -0.649  -3.532
   25   HG21  THR   4          HG21      THR   4   2.321  -2.937  -4.217
   26   HG22  THR   4          HG22      THR   4   3.499  -1.712  -3.734
   27   HG23  THR   4          HG23      THR   4   2.394  -1.393  -5.067
   28    H    LYS   5           H        LYS   5   3.435  -3.116  -0.663
   29    HA   LYS   5           HA       LYS   5   4.209  -0.993   1.128
   30    HB2  LYS   5           HB2      LYS   5   5.095  -3.841   0.866
   31    HB3  LYS   5           HB3      LYS   5   5.578  -2.751   2.157
   32    HG2  LYS   5           HG2      LYS   5   3.399  -2.662   3.042
   33    HG3  LYS   5           HG3      LYS   5   2.703  -3.367   1.583
   34    HD2  LYS   5           HD2      LYS   5   3.735  -5.434   2.001
   35    HD3  LYS   5           HD3      LYS   5   4.635  -4.805   3.382
   36    HE2  LYS   5           HE2      LYS   5   1.625  -4.984   3.187
   37    HE3  LYS   5           HE3      LYS   5   2.647  -6.144   4.029
   38    HZ1  LYS   5           HZ1      LYS   5   3.373  -4.343   5.509
   39    HZ2  LYS   5           HZ2      LYS   5   1.700  -4.540   5.560
   40    HZ3  LYS   5           HZ3      LYS   5   2.345  -3.258   4.734
   41    H    SER   6           H        SER   6   5.132  -1.918  -1.808
   42    HA   SER   6           HA       SER   6   7.956  -1.573  -1.530
   43    HB2  SER   6           HB2      SER   6   6.812  -2.866  -3.424
   44    HB3  SER   6           HB3      SER   6   6.445  -1.266  -4.102
   45    HG   SER   6           HG       SER   6   9.002  -2.256  -3.464
   46    H    ILE   7           H        ILE   7   9.055   0.216  -1.723
   47    HA   ILE   7           HA       ILE   7   7.585   2.656  -1.299
   48    HB   ILE   7           HB       ILE   7   9.753   3.712  -0.785
   49   HG12  ILE   7          HG12      ILE   7  10.960   0.992  -1.373
   50   HG13  ILE   7          HG13      ILE   7  11.132   2.403  -2.407
   51   HG21  ILE   7          HG21      ILE   7   9.298   1.055   0.564
   52   HG22  ILE   7          HG22      ILE   7   8.545   2.587   0.996
   53   HG23  ILE   7          HG23      ILE   7  10.281   2.364   1.214
   54   HD11  ILE   7          HD11      ILE   7  12.337   3.551  -0.623
   55   HD12  ILE   7          HD12      ILE   7  13.116   2.022  -1.044
   56   HD13  ILE   7          HD13      ILE   7  12.131   2.144   0.416
   57    HA   PRO   8           HA       PRO   8   7.544   4.818  -1.383
   58    HB2  PRO   8           HB2      PRO   8   5.831   6.440  -2.773
   59    HB3  PRO   8           HB3      PRO   8   7.524   6.859  -2.498
   60    HG2  PRO   8           HG2      PRO   8   6.233   5.686  -4.920
   61    HG3  PRO   8           HG3      PRO   8   7.483   6.939  -4.814
   62    HD2  PRO   8           HD2      PRO   8   8.039   4.357  -5.435
   63    HD3  PRO   8           HD3      PRO   8   9.173   5.397  -4.550
   64    HA   PRO   9           HA       PRO   9   4.318   1.835  -1.503
   65    HB2  PRO   9           HB2      PRO   9   3.319   2.106   0.965
   66    HB3  PRO   9           HB3      PRO   9   4.926   1.430   0.682
   67    HG2  PRO   9           HG2      PRO   9   4.132   4.166   1.514
   68    HG3  PRO   9           HG3      PRO   9   5.449   3.155   2.134
   69    HD2  PRO   9           HD2      PRO   9   5.844   5.155   0.296
   70    HD3  PRO   9           HD3      PRO   9   6.876   3.714   0.406
   71    H    ILE  10           H        ILE  10   2.184   1.645  -1.778
   72    HA   ILE  10           HA       ILE  10   0.524   4.001  -1.478
   73    HB   ILE  10           HB       ILE  10   1.098   4.095  -3.816
   74   HG12  ILE  10          HG12      ILE  10  -1.103   3.766  -4.956
   75   HG13  ILE  10          HG13      ILE  10  -1.675   2.919  -3.526
   76   HG21  ILE  10          HG21      ILE  10   0.317   1.213  -4.081
   77   HG22  ILE  10          HG22      ILE  10   1.938   1.891  -4.204
   78   HG23  ILE  10          HG23      ILE  10   0.720   2.287  -5.419
   79   HD11  ILE  10          HD11      ILE  10  -2.457   5.221  -3.588
   80   HD12  ILE  10          HD12      ILE  10  -0.789   5.794  -3.632
   81   HD13  ILE  10          HD13      ILE  10  -1.395   4.949  -2.207
   82    H1A  2AG  11           HD       PRG  11   0.969   2.741   1.972
   83    HB2  2AG  11           HB2      PRG  11  -1.769   2.380   2.279
   84    HB3  2AG  11           HB3      PRG  11  -2.373   0.738   2.171
   85    HA   2AG  11           HA       PRG  11  -1.910   0.699  -0.232
   86    H    2AG  11           H        PRG  11  -0.921   3.421  -0.061
   87    H    PHE  12           H        PHE  12  -3.984   0.294  -0.066
   88    HA   PHE  12           HA       PHE  12  -5.761   2.582  -0.413
   89    HB2  PHE  12           HB2      PHE  12  -6.122  -0.305  -1.258
   90    HB3  PHE  12           HB3      PHE  12  -7.204   1.032  -1.623
   91    HD1  PHE  12           HD1      PHE  12  -4.070  -0.623  -2.466
   92    HD2  PHE  12           HD2      PHE  12  -6.588   2.700  -3.285
   93    HE1  PHE  12           HE3      PHE  12  -2.825  -0.201  -4.548
   94    HE2  PHE  12           HE2      PHE  12  -5.364   3.129  -5.347
   95    HZ   PHE  12           HZ       PHE  12  -3.465   1.678  -5.993
   96    HA   PRO  13           HA       PRO  13  -7.311   1.144   3.594
   97    HB2  PRO  13           HB2      PRO  13  -9.609   2.907   3.063
   98    HB3  PRO  13           HB3      PRO  13  -8.423   2.992   4.368
   99    HG2  PRO  13           HG2      PRO  13  -8.462   4.798   2.381
  100    HG3  PRO  13           HG3      PRO  13  -6.950   4.254   3.127
  101    HD2  PRO  13           HD2      PRO  13  -8.171   3.431   0.519
  102    HD3  PRO  13           HD3      PRO  13  -6.477   3.790   0.922
  103    H    ASP  14           H        ASP  14  -8.813   0.970   0.593
  104    HA   ASP  14           HA       ASP  14 -10.890  -0.888   1.602
  105    HB2  ASP  14           HB2      ASP  14 -10.890   0.509  -1.086
  106    HB3  ASP  14           HB3      ASP  14 -12.195  -0.417  -0.369
  Start of MODEL   19
    1    H1   GLY   1           H        GLY   1  -8.622  -0.364  -0.368
    2    HA2  GLY   1           HA2      GLY   1  -8.407  -3.031  -1.369
    3    HA3  GLY   1           HA3      GLY   1  -7.735  -1.571  -2.068
    4    H    ARG   2           H        ARG   2  -5.905  -2.723  -2.569
    5    HA   ARG   2           HA       ARG   2  -4.355  -4.159  -0.649
    6    HB2  ARG   2           HB2      ARG   2  -2.689  -4.359  -2.457
    7    HB3  ARG   2           HB3      ARG   2  -4.301  -4.841  -2.960
    8    HG2  ARG   2           HG2      ARG   2  -4.597  -2.702  -4.109
    9    HG3  ARG   2           HG3      ARG   2  -3.000  -2.191  -3.570
   10    HD2  ARG   2           HD2      ARG   2  -3.502  -4.622  -5.281
   11    HD3  ARG   2           HD3      ARG   2  -3.097  -3.037  -5.931
   12    HE   ARG   2           HE       ARG   2  -1.077  -3.444  -4.247
   13   HH11  ARG   2          1HH1      ARG   2  -2.456  -5.619  -6.671
   14   HH12  ARG   2          2HH1      ARG   2  -0.992  -6.412  -7.000
   15   HH21  ARG   2          1HH2      ARG   2   0.923  -4.483  -4.720
   16   HH22  ARG   2          2HH2      ARG   2   0.975  -5.776  -5.845
   17    H    RVJ   3           H        AZA   3  -2.130  -3.734  -0.135
   18    HA   RVJ   3           HA       AZA   3  -1.197  -1.045  -0.455
   19    HB3  RVJ   3           HB3      AZA   3  -1.260  -2.413   2.243
   20    HB2  RVJ   3           HB2      AZA   3  -2.172  -1.001   1.796
   21    H    THR   4           H        THR   4   0.448  -1.296  -1.624
   22    HA   THR   4           HA       THR   4   2.244  -3.528  -1.140
   23    HB   THR   4           HB       THR   4   2.489  -1.370  -3.176
   24    HG1  THR   4           HG3      THR   4   0.668  -3.368  -2.878
   25   HG21  THR   4          HG21      THR   4   3.401  -4.262  -3.156
   26   HG22  THR   4          HG22      THR   4   4.428  -2.850  -2.915
   27   HG23  THR   4          HG23      THR   4   3.669  -3.130  -4.481
   28    H    LYS   5           H        LYS   5   3.834  -3.129   0.237
   29    HA   LYS   5           HA       LYS   5   4.287  -0.493   1.272
   30    HB2  LYS   5           HB2      LYS   5   5.480  -3.152   1.965
   31    HB3  LYS   5           HB3      LYS   5   5.755  -1.661   2.855
   32    HG2  LYS   5           HG2      LYS   5   3.491  -1.556   3.539
   33    HG3  LYS   5           HG3      LYS   5   3.036  -2.859   2.435
   34    HD2  LYS   5           HD2      LYS   5   4.371  -4.374   3.570
   35    HD3  LYS   5           HD3      LYS   5   4.988  -3.153   4.700
   36    HE2  LYS   5           HE2      LYS   5   2.619  -2.820   5.476
   37    HE3  LYS   5           HE3      LYS   5   2.140  -4.166   4.444
   38    HZ1  LYS   5           HZ1      LYS   5   2.443  -4.948   6.676
   39    HZ2  LYS   5           HZ2      LYS   5   4.012  -4.318   6.752
   40    HZ3  LYS   5           HZ3      LYS   5   3.660  -5.581   5.711
   41    H    SER   6           H        SER   6   5.432  -1.934  -1.306
   42    HA   SER   6           HA       SER   6   8.240  -1.372  -1.116
   43    HB2  SER   6           HB2      SER   6   7.016  -2.988  -2.772
   44    HB3  SER   6           HB3      SER   6   6.696  -1.473  -3.645
   45    HG   SER   6           HG       SER   6   9.259  -2.403  -2.922
   46    H    ILE   7           H        ILE   7   9.063   0.495  -1.325
   47    HA   ILE   7           HA       ILE   7   7.389   2.800  -1.261
   48    HB   ILE   7           HB       ILE   7   9.461   4.161  -1.025
   49   HG12  ILE   7          HG12      ILE   7  10.871   1.482  -1.224
   50   HG13  ILE   7          HG13      ILE   7  10.946   2.754  -2.434
   51   HG21  ILE   7          HG21      ILE   7  10.122   3.206   1.153
   52   HG22  ILE   7          HG22      ILE   7   9.238   1.732   0.751
   53   HG23  ILE   7          HG23      ILE   7   8.373   3.253   0.943
   54   HD11  ILE   7          HD11      ILE   7  12.047   4.208  -0.809
   55   HD12  ILE   7          HD12      ILE   7  12.947   2.714  -1.077
   56   HD13  ILE   7          HD13      ILE   7  11.980   2.913   0.386
   57    HA   PRO   8           HA       PRO   8   6.958   4.893  -1.597
   58    HB2  PRO   8           HB2      PRO   8   4.939   5.654  -3.565
   59    HB3  PRO   8           HB3      PRO   8   6.002   6.696  -2.620
   60    HG2  PRO   8           HG2      PRO   8   6.299   6.405  -5.281
   61    HG3  PRO   8           HG3      PRO   8   7.685   6.635  -4.199
   62    HD2  PRO   8           HD2      PRO   8   6.624   4.097  -5.392
   63    HD3  PRO   8           HD3      PRO   8   8.305   4.661  -5.273
   64    HA   PRO   9           HA       PRO   9   4.158   1.520  -1.081
   65    HB2  PRO   9           HB2      PRO   9   3.195   2.107   1.370
   66    HB3  PRO   9           HB3      PRO   9   4.830   1.494   1.092
   67    HG2  PRO   9           HG2      PRO   9   3.911   4.273   1.599
   68    HG3  PRO   9           HG3      PRO   9   5.345   3.440   2.228
   69    HD2  PRO   9           HD2      PRO   9   5.404   5.197   0.110
   70    HD3  PRO   9           HD3      PRO   9   6.580   3.893   0.346
   71    H    ILE  10           H        ILE  10   2.545   1.552  -2.357
   72    HA   ILE  10           HA       ILE  10   0.464   3.581  -2.278
   73    HB   ILE  10           HB       ILE  10   0.788   1.149  -4.065
   74   HG12  ILE  10          HG12      ILE  10   1.245   4.080  -4.663
   75   HG13  ILE  10          HG13      ILE  10   2.510   2.885  -4.415
   76   HG21  ILE  10          HG21      ILE  10  -1.194   3.418  -4.242
   77   HG22  ILE  10          HG22      ILE  10  -1.560   1.737  -3.857
   78   HG23  ILE  10          HG23      ILE  10  -0.972   2.166  -5.465
   79   HD11  ILE  10          HD11      ILE  10   2.163   3.363  -6.784
   80   HD12  ILE  10          HD12      ILE  10   0.479   2.863  -6.640
   81   HD13  ILE  10          HD13      ILE  10   1.770   1.686  -6.408
   82    H1A  2AG  11           HD       PRG  11   0.993   2.437   2.004
   83    HB2  2AG  11           HB2      PRG  11  -1.619   2.526   1.883
   84    HB3  2AG  11           HB3      PRG  11  -2.528   1.035   1.993
   85    HA   2AG  11           HA       PRG  11  -2.149   0.634  -0.405
   86    H    2AG  11           H        PRG  11  -0.950   3.295  -0.655
   87    H    PHE  12           H        PHE  12  -4.261   0.540  -0.043
   88    HA   PHE  12           HA       PHE  12  -5.720   3.071   0.088
   89    HB2  PHE  12           HB2      PHE  12  -6.625   0.509  -1.277
   90    HB3  PHE  12           HB3      PHE  12  -7.541   1.999  -1.164
   91    HD1  PHE  12           HD1      PHE  12  -5.008   0.221  -2.998
   92    HD2  PHE  12           HD2      PHE  12  -6.721   4.055  -2.316
   93    HE1  PHE  12           HE3      PHE  12  -3.969   1.052  -5.062
   94    HE2  PHE  12           HE2      PHE  12  -5.692   4.888  -4.380
   95    HZ   PHE  12           HZ       PHE  12  -4.311   3.390  -5.756
   96    HA   PRO  13           HA       PRO  13  -7.046   1.529   3.985
   97    HB2  PRO  13           HB2      PRO  13  -9.699   2.485   3.871
   98    HB3  PRO  13           HB3      PRO  13  -8.314   3.310   4.584
   99    HG2  PRO  13           HG2      PRO  13  -9.600   3.715   1.955
  100    HG3  PRO  13           HG3      PRO  13  -8.692   4.855   2.951
  101    HD2  PRO  13           HD2      PRO  13  -7.688   3.750   0.682
  102    HD3  PRO  13           HD3      PRO  13  -6.674   4.230   2.058
  103    H    ASP  14           H        ASP  14  -9.153   1.069   1.319
  104    HA   ASP  14           HA       ASP  14 -10.290  -1.342   2.574
  105    HB2  ASP  14           HB2      ASP  14 -11.916   0.139   1.507
  106    HB3  ASP  14           HB3      ASP  14 -11.051   0.012  -0.020
  Start of MODEL   20
    1    H1   GLY   1           H        GLY   1  -7.673  -1.385   0.191
    2    HA2  GLY   1           HA2      GLY   1  -7.970  -4.040   1.074
    3    HA3  GLY   1           HA3      GLY   1  -8.070  -3.977  -0.674
    4    H    ARG   2           H        ARG   2  -6.047  -2.181  -1.312
    5    HA   ARG   2           HA       ARG   2  -3.790  -3.902  -0.539
    6    HB2  ARG   2           HB2      ARG   2  -4.410  -4.078  -2.846
    7    HB3  ARG   2           HB3      ARG   2  -4.222  -2.333  -3.057
    8    HG2  ARG   2           HG2      ARG   2  -1.793  -2.651  -2.469
    9    HG3  ARG   2           HG3      ARG   2  -2.076  -4.387  -2.556
   10    HD2  ARG   2           HD2      ARG   2  -2.520  -2.420  -4.804
   11    HD3  ARG   2           HD3      ARG   2  -1.122  -3.472  -4.641
   12    HE   ARG   2           HE       ARG   2  -3.432  -5.053  -4.632
   13   HH11  ARG   2          1HH1      ARG   2  -1.614  -3.015  -6.879
   14   HH12  ARG   2          2HH1      ARG   2  -2.074  -3.860  -8.276
   15   HH21  ARG   2          1HH2      ARG   2  -4.113  -6.208  -6.575
   16   HH22  ARG   2          2HH2      ARG   2  -3.548  -5.704  -8.096
   17    H    RVJ   3           H        AZA   3  -2.143  -3.138   0.387
   18    HA   RVJ   3           HA       AZA   3  -1.208  -0.429  -0.135
   19    HB3  RVJ   3           HB3      AZA   3  -1.040  -1.779   2.586
   20    HB2  RVJ   3           HB2      AZA   3  -2.117  -0.469   2.225
   21    H    THR   4           H        THR   4   0.644  -0.545  -1.103
   22    HA   THR   4           HA       THR   4   1.798  -3.158  -1.259
   23    HB   THR   4           HB       THR   4   1.522  -1.902  -3.331
   24    HG1  THR   4           HG3      THR   4   3.230  -2.759  -4.100
   25   HG21  THR   4          HG21      THR   4   1.872   0.378  -2.505
   26   HG22  THR   4          HG22      THR   4   2.952   0.032  -3.858
   27   HG23  THR   4          HG23      THR   4   3.574   0.012  -2.208
   28    H    LYS   5           H        LYS   5   3.746  -3.751  -0.661
   29    HA   LYS   5           HA       LYS   5   5.010  -2.138   1.337
   30    HB2  LYS   5           HB2      LYS   5   6.544  -4.197   1.589
   31    HB3  LYS   5           HB3      LYS   5   4.879  -4.322   2.115
   32    HG2  LYS   5           HG2      LYS   5   5.509  -6.361   1.020
   33    HG3  LYS   5           HG3      LYS   5   4.355  -5.525  -0.000
   34    HD2  LYS   5           HD2      LYS   5   6.202  -4.754  -1.431
   35    HD3  LYS   5           HD3      LYS   5   7.355  -5.591  -0.389
   36    HE2  LYS   5           HE2      LYS   5   6.287  -7.729  -0.894
   37    HE3  LYS   5           HE3      LYS   5   5.098  -6.906  -1.899
   38    HZ1  LYS   5           HZ1      LYS   5   6.922  -6.200  -3.352
   39    HZ2  LYS   5           HZ2      LYS   5   6.819  -7.857  -3.280
   40    HZ3  LYS   5           HZ3      LYS   5   8.029  -7.059  -2.433
   41    H    SER   6           H        SER   6   5.202  -2.095  -1.805
   42    HA   SER   6           HA       SER   6   8.078  -1.762  -1.977
   43    HB2  SER   6           HB2      SER   6   6.747  -2.848  -3.824
   44    HB3  SER   6           HB3      SER   6   5.977  -1.267  -4.069
   45    HG   SER   6           HG       SER   6   7.604  -0.705  -5.181
   46    H    ILE   7           H        ILE   7   8.979   0.183  -2.097
   47    HA   ILE   7           HA       ILE   7   7.252   2.448  -1.425
   48    HB   ILE   7           HB       ILE   7   9.256   3.706  -0.775
   49   HG12  ILE   7          HG12      ILE   7  10.854   1.221  -1.462
   50   HG13  ILE   7          HG13      ILE   7  10.830   2.686  -2.438
   51   HG21  ILE   7          HG21      ILE   7   9.184   0.947   0.435
   52   HG22  ILE   7          HG22      ILE   7   8.200   2.328   0.916
   53   HG23  ILE   7          HG23      ILE   7   9.946   2.359   1.167
   54   HD11  ILE   7          HD11      ILE   7  12.830   2.561  -1.075
   55   HD12  ILE   7          HD12      ILE   7  11.846   2.426   0.384
   56   HD13  ILE   7          HD13      ILE   7  11.820   3.914  -0.563
   57    HA   PRO   8           HA       PRO   8   7.328   4.857  -1.507
   58    HB2  PRO   8           HB2      PRO   8   5.460   6.264  -2.924
   59    HB3  PRO   8           HB3      PRO   8   7.149   6.763  -2.805
   60    HG2  PRO   8           HG2      PRO   8   5.776   5.260  -5.000
   61    HG3  PRO   8           HG3      PRO   8   6.895   6.630  -5.120
   62    HD2  PRO   8           HD2      PRO   8   7.717   4.120  -5.535
   63    HD3  PRO   8           HD3      PRO   8   8.749   5.308  -4.713
   64    HA   PRO   9           HA       PRO   9   4.010   1.926  -1.232
   65    HB2  PRO   9           HB2      PRO   9   3.273   2.240   1.296
   66    HB3  PRO   9           HB3      PRO   9   4.859   1.579   0.876
   67    HG2  PRO   9           HG2      PRO   9   4.091   4.321   1.712
   68    HG3  PRO   9           HG3      PRO   9   5.483   3.361   2.262
   69    HD2  PRO   9           HD2      PRO   9   5.659   5.309   0.300
   70    HD3  PRO   9           HD3      PRO   9   6.764   3.926   0.410
   71    H    ILE  10           H        ILE  10   2.252   2.284  -2.262
   72    HA   ILE  10           HA       ILE  10   0.503   4.463  -1.439
   73    HB   ILE  10           HB       ILE  10   0.936   4.513  -3.838
   74   HG12  ILE  10          HG12      ILE  10  -1.363   4.325  -4.774
   75   HG13  ILE  10          HG13      ILE  10  -1.862   3.480  -3.317
   76   HG21  ILE  10          HG21      ILE  10   0.325   2.696  -5.364
   77   HG22  ILE  10          HG22      ILE  10  -0.045   1.676  -3.973
   78   HG23  ILE  10          HG23      ILE  10   1.604   2.242  -4.236
   79   HD11  ILE  10          HD11      ILE  10  -1.378   5.480  -1.997
   80   HD12  ILE  10          HD12      ILE  10  -2.543   5.813  -3.276
   81   HD13  ILE  10          HD13      ILE  10  -0.866   6.320  -3.460
   82    H1A  2AG  11           HD       PRG  11   0.765   3.291   2.171
   83    HB2  2AG  11           HB2      PRG  11  -1.964   3.092   2.142
   84    HB3  2AG  11           HB3      PRG  11  -2.684   1.495   2.146
   85    HA   2AG  11           HA       PRG  11  -2.128   1.250  -0.242
   86    H    2AG  11           H        PRG  11  -1.286   4.023  -0.323
   87    H    PHE  12           H        PHE  12  -4.125   0.834  -0.340
   88    HA   PHE  12           HA       PHE  12  -6.063   3.015  -0.398
   89    HB2  PHE  12           HB2      PHE  12  -6.182   0.268  -1.679
   90    HB3  PHE  12           HB3      PHE  12  -7.394   1.530  -1.835
   91    HD1  PHE  12           HD1      PHE  12  -7.078   3.356  -3.379
   92    HD2  PHE  12           HD2      PHE  12  -4.040   0.427  -2.830
   93    HE1  PHE  12           HE3      PHE  12  -5.943   4.158  -5.400
   94    HE2  PHE  12           HE2      PHE  12  -2.894   1.231  -4.855
   95    HZ   PHE  12           HZ       PHE  12  -3.845   3.094  -6.142
   96    HA   PRO  13           HA       PRO  13  -7.232   0.952   3.433
   97    HB2  PRO  13           HB2      PRO  13  -9.621   2.254   3.781
   98    HB3  PRO  13           HB3      PRO  13  -8.056   2.949   4.208
   99    HG2  PRO  13           HG2      PRO  13  -9.709   3.390   1.756
  100    HG3  PRO  13           HG3      PRO  13  -8.815   4.570   2.728
  101    HD2  PRO  13           HD2      PRO  13  -7.871   3.633   0.405
  102    HD3  PRO  13           HD3      PRO  13  -6.786   4.010   1.762
  103    H    ASP  14           H        ASP  14  -8.818   0.919   0.507
  104    HA   ASP  14           HA       ASP  14 -11.046  -0.721   1.143
  105    HB2  ASP  14           HB2      ASP  14 -11.034   0.752  -0.819
  106    HB3  ASP  14           HB3      ASP  14  -9.722  -0.182  -1.516