*HEADER    PROTEIN FIBRIL                          05-APR-17   5XES              
*TITLE     TK9 NMR STRUCTURE IN SDS MICELLE                                      
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: THR-VAL-TYR-VAL-TYR-SER-ARG-VAL-LYS;                       
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: SARS CORONAVIRUS;                               
*SOURCE   4 ORGANISM_TAXID: 227859                                               
*KEYWDS    PROTEIN FIBRIL                                                        
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    A.GHOSH,A.BHUNIA                                                      
*REVDAT   1   18-APR-18 5XES    0                                                
# Restraints file 1: TK9_SDS.seq
THR
VAL
TYR
VAL
TYR
SER
ARG
VAL
LYS
# Restraints file 2: TK9_SDS.aco
# Torsion angle constraints 
# generated from HA secondary chemical shifts			
   2 VAL   PHI  -80   -60
   2 VAL   PSI  -40   -20
   3 TYR   PHI  -80   -60
   3 TYR   PSI  -40   -20
   4 VAL   PHI  -80   -60
   4 VAL   PSI  -40   -20
   5 TYR   PHI  -80   -60
   5 TYR   PSI  -40   -20
   6 SER   PHI  -80   -60
   6 SER   PSI  -40   -20
# Restraints file 3: TK9_SDS.upl
1 THR HB	1 THR H		3.3	2.0
1 THR QG2	1 THR H		3.8	2.0
1 THR HA	2 VAL H		3.6	2.0
1 THR HB        4 VAL H         4.6     2.0
2 VAL HA	4 VAL H		4.2	2.0
2 VAL HB	2 VAL H		3.5	2.0
2 VAL HB	3 TYR H		3.2	2.0
2 VAL QG1	2 VAL H		3.8	2.0
2 VAL QG2	2 VAL H		3.6	2.0
2 VAL HA        5 TYR H         4.3     2.0
2 VAL QG1       5 TYR H         5.3     2.0 
2 VAL QG2       5 TYR H         4.8     2.0
2 VAL QG2       3 TYR H         3.1     2.0  
2 VAL HA	3 TYR H		3.7	2.0
3 TYR QB	3 TYR H		3.7	2.0
3 TYR QB	4 VAL H		3.3	2.0
4 VAL HB	4 VAL H		3.5	2.0
4 VAL QG1	4 VAL H		3.6	2.0
4 VAL QG2	4 VAL H		3.6	2.0  
4 VAL HA	5 TYR H		3.5	2.0
4 VAL HB	5 TYR H		3.3	2.0
4 VAL HA        7 ARG H         3.7     2.0
5 TYR QB	5 TYR H	     	3.4	2.0
5 TYR QB	6 SER H		3.3	2.0
5 TYR HA	6 SER H		3.3	2.0
6 SER QB	6 SER H		3.0	2.0
6 SER QB	7 ARG H		3.3	2.0
3 TYR HA	6 SER H		3.2	2.0
3 TYR HA	4 VAL H		3.5	2.0
6 SER HA	7 ARG H		3.4	2.0
7 ARG QB	7 ARG H		3.0	2.0
7 ARG QB	8 VAL H		3.3	2.0
7 ARG QG	7 ARG H		3.4	2.0
7 ARG QD	7 ARG H		4.3 	2.0
7 ARG HA	8 VAL H		3.4	2.0
8 VAL HB	8 VAL H		3.0	2.0
8 VAL QG1	8 VAL H		3.6	2.0
8 VAL QG2	8 VAL H		3.6	2.0
7 ARG QB	8 VAL H		3.0	2.0
7 ARG QG	8 VAL H		3.4	2.0
8 VAL HA	9 LYS H		3.4	2.0
9 LYS QB 	9 LYS H		3.0	2.0
9 LYS QG	9 LYS H		3.6	2.0
9 LYS QD	9 LYS H		3.8	2.0
8 VAL HB	9 LYS H		3.0	2.0
8 VAL QG1	9 LYS H		3.8	2.0
8 VAL QG2	9 LYS H		3.8	2.0
1 THR H		2 VAL H		2.8	2.0
2 VAL H		3 TYR H		2.8	2.0
3 TYR H		4 VAL H		2.8	2.0
4 VAL H		5 TYR H		2.8	2.0
5 TYR H		6 SER H		2.8	2.0
6 SER H		7 ARG H		2.8	2.0
7 ARG H		8 VAL H		2.8	2.0
8 VAL H		9 LYS H		2.8	2.0
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   THR   1           H        THR   1   1.806   0.001   0.856
    2    HA   THR   1           HA       THR   1   1.405   0.162  -2.057
    3    HB   THR   1           HB       THR   1   4.120   0.698  -1.131
    4    HG1  THR   1           HG1      THR   1   3.012   1.592   0.656
    5   HG21  THR   1          1HG2      THR   1   4.113   2.113  -2.890
    6   HG22  THR   1          2HG2      THR   1   2.544   2.796  -2.463
    7   HG23  THR   1          3HG2      THR   1   2.633   1.263  -3.331
    8    H    VAL   2           H        VAL   2   3.668  -0.647  -3.117
    9    HA   VAL   2           HA       VAL   2   3.785  -3.473  -2.399
   10    HB   VAL   2           HB       VAL   2   5.296  -2.369  -4.720
   11   HG11  VAL   2          1HG1      VAL   2   5.397  -4.514  -5.298
   12   HG12  VAL   2          2HG1      VAL   2   4.650  -4.905  -3.748
   13   HG13  VAL   2          3HG1      VAL   2   3.646  -4.686  -5.182
   14   HG21  VAL   2          1HG2      VAL   2   3.158  -2.630  -6.072
   15   HG22  VAL   2          2HG2      VAL   2   2.301  -2.554  -4.533
   16   HG23  VAL   2          3HG2      VAL   2   3.286  -1.190  -5.062
   17    H    TYR   3           H        TYR   3   6.205  -1.068  -3.446
   18    HA   TYR   3           HA       TYR   3   8.429  -2.449  -2.478
   19    HB2  TYR   3          2HB       TYR   3   7.934   0.018  -3.764
   20    HB3  TYR   3          3HB       TYR   3   8.880   0.385  -2.326
   21    HD1  TYR   3           HD1      TYR   3  11.189   0.203  -2.421
   22    HD2  TYR   3           HD2      TYR   3   8.837  -1.951  -5.237
   23    HE1  TYR   3           HE1      TYR   3  13.238  -0.501  -3.584
   24    HE2  TYR   3           HE2      TYR   3  10.880  -2.663  -6.407
   25    HH   TYR   3           HH       TYR   3  13.148  -2.817  -6.225
   26    H    VAL   4           H        VAL   4   6.192  -0.300  -0.877
   27    HA   VAL   4           HA       VAL   4   7.760   0.186   1.443
   28    HB   VAL   4           HB       VAL   4   4.772   0.338   1.032
   29   HG11  VAL   4          1HG1      VAL   4   6.466   1.287   3.340
   30   HG12  VAL   4          2HG1      VAL   4   4.772   1.716   3.089
   31   HG13  VAL   4          3HG1      VAL   4   5.224   0.036   3.382
   32   HG21  VAL   4          1HG2      VAL   4   5.375   2.117  -0.190
   33   HG22  VAL   4          2HG2      VAL   4   5.711   2.885   1.362
   34   HG23  VAL   4          3HG2      VAL   4   7.017   2.122   0.454
   35    H    TYR   5           H        TYR   5   5.573  -2.360   0.474
   36    HA   TYR   5           HA       TYR   5   5.495  -3.519   3.133
   37    HB2  TYR   5          2HB       TYR   5   3.490  -3.611   1.721
   38    HB3  TYR   5          3HB       TYR   5   4.376  -4.532   0.510
   39    HD1  TYR   5           HD1      TYR   5   4.164  -6.831   0.525
   40    HD2  TYR   5           HD2      TYR   5   3.515  -4.692   4.145
   41    HE1  TYR   5           HE1      TYR   5   3.520  -8.926   1.640
   42    HE2  TYR   5           HE2      TYR   5   2.870  -6.781   5.271
   43    HH   TYR   5           HH       TYR   5   2.107  -9.587   3.642
   44    H    SER   6           H        SER   6   7.497  -3.646   0.410
   45    HA   SER   6           HA       SER   6   8.448  -6.350   0.933
   46    HB2  SER   6          2HB       SER   6   8.954  -4.314  -1.212
   47    HB3  SER   6          3HB       SER   6  10.086  -5.647  -0.983
   48    HG   SER   6           HG       SER   6   8.638  -7.022  -1.710
   49    H    ARG   7           H        ARG   7   9.185  -3.125   1.783
   50    HA   ARG   7           HA       ARG   7  11.973  -3.337   2.182
   51    HB2  ARG   7          2HB       ARG   7  11.819  -1.289   3.363
   52    HB3  ARG   7          3HB       ARG   7  10.591  -1.212   2.106
   53    HG2  ARG   7          2HG       ARG   7   9.326  -0.478   3.820
   54    HG3  ARG   7          3HG       ARG   7   9.105  -2.208   4.090
   55    HD2  ARG   7          2HD       ARG   7   9.850  -1.837   6.160
   56    HD3  ARG   7          3HD       ARG   7  11.446  -1.651   5.432
   57    HE   ARG   7           HE       ARG   7  10.081   0.804   5.316
   58   HH11  ARG   7          1HH1      ARG   7  11.571  -1.341   7.617
   59   HH12  ARG   7          2HH1      ARG   7  11.975  -0.077   8.731
   60   HH21  ARG   7          1HH2      ARG   7  10.608   2.477   6.773
   61   HH22  ARG   7          2HH2      ARG   7  11.426   2.095   8.250
   62    H    VAL   8           H        VAL   8   9.217  -4.286   4.095
   63    HA   VAL   8           HA       VAL   8  10.373  -4.517   6.616
   64    HB   VAL   8           HB       VAL   8   8.338  -6.431   5.474
   65   HG11  VAL   8          1HG1      VAL   8   7.622  -6.033   8.032
   66   HG12  VAL   8          2HG1      VAL   8   8.716  -7.319   7.519
   67   HG13  VAL   8          3HG1      VAL   8   9.366  -5.815   8.172
   68   HG21  VAL   8          1HG2      VAL   8   6.792  -4.680   6.715
   69   HG22  VAL   8          2HG2      VAL   8   8.107  -3.583   6.296
   70   HG23  VAL   8          3HG2      VAL   8   7.259  -4.467   5.027
   71    H    LYS   9           H        LYS   9  10.602  -6.603   3.815
   72    HA   LYS   9           HA       LYS   9  11.810  -8.792   5.221
   73    HB2  LYS   9          2HB       LYS   9  11.929  -8.274   2.252
   74    HB3  LYS   9          3HB       LYS   9  12.069  -9.818   3.082
   75    HG2  LYS   9          2HG       LYS   9   9.578  -8.129   3.041
   76    HG3  LYS   9          3HG       LYS   9   9.894  -9.480   1.950
   77    HD2  LYS   9          2HD       LYS   9  10.017  -9.825   4.928
   78    HD3  LYS   9          3HD       LYS   9   8.482  -9.912   4.061
   79    HE2  LYS   9          2HE       LYS   9   8.936 -12.059   3.686
   80    HE3  LYS   9          3HE       LYS   9  10.199 -11.515   2.583
   81    HZ1  LYS   9          1HZ       LYS   9  10.923 -13.117   4.343
   82    HZ2  LYS   9          2HZ       LYS   9  10.649 -11.902   5.487
   83    HZ3  LYS   9          3HZ       LYS   9  11.814 -11.680   4.281
  Start of MODEL    2
    1    H1   THR   1           H        THR   1   2.055  -1.521   1.139
    2    HA   THR   1           HA       THR   1   1.826  -1.272  -1.774
    3    HB   THR   1           HB       THR   1   4.320  -0.297  -0.639
    4    HG1  THR   1           HG1      THR   1   1.888   0.429   0.558
    5   HG21  THR   1          1HG2      THR   1   3.901   0.617  -2.687
    6   HG22  THR   1          2HG2      THR   1   3.156   1.863  -1.684
    7   HG23  THR   1          3HG2      THR   1   2.154   0.628  -2.446
    8    H    VAL   2           H        VAL   2   4.188  -1.531  -2.801
    9    HA   VAL   2           HA       VAL   2   4.898  -4.313  -2.294
   10    HB   VAL   2           HB       VAL   2   6.194  -2.722  -4.456
   11   HG11  VAL   2          1HG1      VAL   2   5.279  -5.556  -4.073
   12   HG12  VAL   2          2HG1      VAL   2   5.739  -4.929  -5.657
   13   HG13  VAL   2          3HG1      VAL   2   6.913  -4.951  -4.341
   14   HG21  VAL   2          1HG2      VAL   2   4.195  -3.306  -5.913
   15   HG22  VAL   2          2HG2      VAL   2   3.304  -3.549  -4.411
   16   HG23  VAL   2          3HG2      VAL   2   3.986  -1.967  -4.785
   17    H    TYR   3           H        TYR   3   6.774  -1.371  -3.047
   18    HA   TYR   3           HA       TYR   3   9.203  -2.359  -2.046
   19    HB2  TYR   3          2HB       TYR   3   8.223   0.454  -2.528
   20    HB3  TYR   3          3HB       TYR   3   9.864   0.095  -2.002
   21    HD1  TYR   3           HD1      TYR   3  11.206  -1.565  -3.490
   22    HD2  TYR   3           HD2      TYR   3   7.730   0.512  -4.797
   23    HE1  TYR   3           HE1      TYR   3  11.881  -1.918  -5.828
   24    HE2  TYR   3           HE2      TYR   3   8.396   0.163  -7.139
   25    HH   TYR   3           HH       TYR   3   9.771  -1.214  -8.477
   26    H    VAL   4           H        VAL   4   6.530  -0.730  -0.501
   27    HA   VAL   4           HA       VAL   4   7.875  -0.020   1.897
   28    HB   VAL   4           HB       VAL   4   4.934  -0.450   1.359
   29   HG11  VAL   4          1HG1      VAL   4   6.314   0.753   3.755
   30   HG12  VAL   4          2HG1      VAL   4   4.579   0.840   3.441
   31   HG13  VAL   4          3HG1      VAL   4   5.349  -0.722   3.720
   32   HG21  VAL   4          1HG2      VAL   4   6.354   1.425   0.213
   33   HG22  VAL   4          2HG2      VAL   4   4.768   1.798   0.888
   34   HG23  VAL   4          3HG2      VAL   4   6.228   2.205   1.790
   35    H    TYR   5           H        TYR   5   6.390  -2.939   0.739
   36    HA   TYR   5           HA       TYR   5   6.430  -4.167   3.383
   37    HB2  TYR   5          2HB       TYR   5   5.264  -4.876   0.733
   38    HB3  TYR   5          3HB       TYR   5   5.649  -6.190   1.839
   39    HD1  TYR   5           HD1      TYR   5   4.267  -2.774   2.450
   40    HD2  TYR   5           HD2      TYR   5   3.659  -6.976   2.721
   41    HE1  TYR   5           HE1      TYR   5   2.150  -2.384   3.639
   42    HE2  TYR   5           HE2      TYR   5   1.540  -6.599   3.910
   43    HH   TYR   5           HH       TYR   5   0.176  -3.397   4.265
   44    H    SER   6           H        SER   6   8.455  -3.819   0.697
   45    HA   SER   6           HA       SER   6   9.825  -6.326   0.875
   46    HB2  SER   6          2HB       SER   6  10.639  -3.718  -0.430
   47    HB3  SER   6          3HB       SER   6  11.488  -5.251  -0.624
   48    HG   SER   6           HG       SER   6   9.446  -4.371  -2.020
   49    H    ARG   7           H        ARG   7   9.925  -3.397   2.627
   50    HA   ARG   7           HA       ARG   7  12.651  -3.639   3.520
   51    HB2  ARG   7          2HB       ARG   7  12.241  -1.707   4.828
   52    HB3  ARG   7          3HB       ARG   7  11.354  -1.469   3.328
   53    HG2  ARG   7          2HG       ARG   7   9.377  -2.513   4.696
   54    HG3  ARG   7          3HG       ARG   7  10.335  -1.974   6.076
   55    HD2  ARG   7          2HD       ARG   7   9.715  -0.131   3.793
   56    HD3  ARG   7          3HD       ARG   7   8.565  -0.375   5.108
   57    HE   ARG   7           HE       ARG   7  10.978   0.221   6.303
   58   HH11  ARG   7          1HH1      ARG   7   8.787   1.770   4.085
   59   HH12  ARG   7          2HH1      ARG   7   9.196   3.374   4.598
   60   HH21  ARG   7          1HH2      ARG   7  11.525   2.327   6.987
   61   HH22  ARG   7          2HH2      ARG   7  10.754   3.690   6.248
   62    H    VAL   8           H        VAL   8   9.504  -4.664   4.616
   63    HA   VAL   8           HA       VAL   8  10.019  -5.173   7.304
   64    HB   VAL   8           HB       VAL   8   8.285  -6.890   5.529
   65   HG11  VAL   8          1HG1      VAL   8   6.978  -6.721   7.858
   66   HG12  VAL   8          2HG1      VAL   8   8.170  -7.976   7.514
   67   HG13  VAL   8          3HG1      VAL   8   8.632  -6.550   8.445
   68   HG21  VAL   8          1HG2      VAL   8   7.188  -4.994   5.061
   69   HG22  VAL   8          2HG2      VAL   8   6.606  -5.092   6.722
   70   HG23  VAL   8          3HG2      VAL   8   8.008  -4.094   6.337
   71    H    LYS   9           H        LYS   9  10.884  -6.989   4.442
   72    HA   LYS   9           HA       LYS   9  11.846  -9.242   6.015
   73    HB2  LYS   9          2HB       LYS   9  11.431  -8.700   3.110
   74    HB3  LYS   9          3HB       LYS   9  12.608  -9.924   3.569
   75    HG2  LYS   9          2HG       LYS   9  11.019 -11.404   4.026
   76    HG3  LYS   9          3HG       LYS   9  10.122 -10.246   5.010
   77    HD2  LYS   9          2HD       LYS   9   8.592 -10.546   3.354
   78    HD3  LYS   9          3HD       LYS   9   9.540  -9.259   2.606
   79    HE2  LYS   9          2HE       LYS   9  10.292 -10.606   0.982
   80    HE3  LYS   9          3HE       LYS   9  10.597 -11.934   2.101
   81    HZ1  LYS   9          1HZ       LYS   9   8.489 -11.653   0.286
   82    HZ2  LYS   9          2HZ       LYS   9   7.828 -11.615   1.842
   83    HZ3  LYS   9          3HZ       LYS   9   8.781 -12.927   1.361
  Start of MODEL    3
    1    H1   THR   1           H        THR   1   3.192   1.405  -1.091
    2    HA   THR   1           HA       THR   1   1.810  -0.574   0.211
    3    HB   THR   1           HB       THR   1   1.888  -0.420  -2.799
    4    HG1  THR   1           HG1      THR   1   0.572   1.300  -0.944
    5   HG21  THR   1          1HG2      THR   1   0.232  -1.901  -2.588
    6   HG22  THR   1          2HG2      THR   1  -0.726  -0.624  -1.838
    7   HG23  THR   1          3HG2      THR   1   0.219  -1.723  -0.834
    8    H    VAL   2           H        VAL   2   3.711  -1.206  -2.743
    9    HA   VAL   2           HA       VAL   2   3.982  -3.997  -1.935
   10    HB   VAL   2           HB       VAL   2   5.163  -2.965  -4.471
   11   HG11  VAL   2          1HG1      VAL   2   4.753  -5.461  -3.334
   12   HG12  VAL   2          2HG1      VAL   2   3.510  -5.339  -4.581
   13   HG13  VAL   2          3HG1      VAL   2   5.210  -5.126  -5.004
   14   HG21  VAL   2          1HG2      VAL   2   3.099  -1.838  -4.599
   15   HG22  VAL   2          2HG2      VAL   2   2.878  -3.320  -5.531
   16   HG23  VAL   2          3HG2      VAL   2   2.221  -3.198  -3.899
   17    H    TYR   3           H        TYR   3   6.195  -1.594  -3.374
   18    HA   TYR   3           HA       TYR   3   8.550  -2.903  -2.612
   19    HB2  TYR   3          2HB       TYR   3   8.273  -1.043  -4.331
   20    HB3  TYR   3          3HB       TYR   3   8.300   0.081  -2.977
   21    HD1  TYR   3           HD1      TYR   3  10.312   1.211  -2.968
   22    HD2  TYR   3           HD2      TYR   3  10.314  -2.968  -3.767
   23    HE1  TYR   3           HE1      TYR   3  12.771   1.230  -3.029
   24    HE2  TYR   3           HE2      TYR   3  12.773  -2.961  -3.828
   25    HH   TYR   3           HH       TYR   3  14.592  -0.791  -4.378
   26    H    VAL   4           H        VAL   4   6.513  -0.618  -0.918
   27    HA   VAL   4           HA       VAL   4   8.347   0.008   1.160
   28    HB   VAL   4           HB       VAL   4   5.333   0.184   1.089
   29   HG11  VAL   4          1HG1      VAL   4   6.049   0.044   3.386
   30   HG12  VAL   4          2HG1      VAL   4   7.293   1.266   3.110
   31   HG13  VAL   4          3HG1      VAL   4   5.587   1.707   3.024
   32   HG21  VAL   4          1HG2      VAL   4   6.001   1.746  -0.445
   33   HG22  VAL   4          2HG2      VAL   4   6.089   2.709   1.029
   34   HG23  VAL   4          3HG2      VAL   4   7.557   2.016   0.340
   35    H    TYR   5           H        TYR   5   6.199  -2.642   0.570
   36    HA   TYR   5           HA       TYR   5   6.261  -3.566   3.319
   37    HB2  TYR   5          2HB       TYR   5   4.779  -4.244   0.875
   38    HB3  TYR   5          3HB       TYR   5   5.208  -5.637   1.863
   39    HD1  TYR   5           HD1      TYR   5   4.309  -2.192   2.952
   40    HD2  TYR   5           HD2      TYR   5   3.188  -6.294   2.829
   41    HE1  TYR   5           HE1      TYR   5   2.413  -1.712   4.442
   42    HE2  TYR   5           HE2      TYR   5   1.288  -5.825   4.319
   43    HH   TYR   5           HH       TYR   5   0.927  -3.659   6.213
   44    H    SER   6           H        SER   6   8.193  -3.838   0.556
   45    HA   SER   6           HA       SER   6   9.184  -6.474   0.891
   46    HB2  SER   6          2HB       SER   6  10.359  -4.049  -0.483
   47    HB3  SER   6          3HB       SER   6  11.082  -5.656  -0.547
   48    HG   SER   6           HG       SER   6   9.699  -6.148  -2.036
   49    H    ARG   7           H        ARG   7   9.724  -3.554   2.577
   50    HA   ARG   7           HA       ARG   7  12.359  -4.166   3.531
   51    HB2  ARG   7          2HB       ARG   7  12.178  -2.206   4.849
   52    HB3  ARG   7          3HB       ARG   7  11.347  -1.849   3.341
   53    HG2  ARG   7          2HG       ARG   7   9.223  -2.591   4.626
   54    HG3  ARG   7          3HG       ARG   7  10.209  -2.311   6.062
   55    HD2  ARG   7          2HD       ARG   7   9.806  -0.274   3.879
   56    HD3  ARG   7          3HD       ARG   7   8.814  -0.359   5.334
   57    HE   ARG   7           HE       ARG   7  11.308  -0.218   6.335
   58   HH11  ARG   7          1HH1      ARG   7   9.616   1.671   3.951
   59   HH12  ARG   7          2HH1      ARG   7  10.479   3.131   4.305
   60   HH21  ARG   7          1HH2      ARG   7  12.451   1.698   6.811
   61   HH22  ARG   7          2HH2      ARG   7  12.092   3.145   5.931
   62    H    VAL   8           H        VAL   8   9.094  -4.795   4.578
   63    HA   VAL   8           HA       VAL   8   9.500  -5.381   7.268
   64    HB   VAL   8           HB       VAL   8   7.600  -6.864   5.452
   65   HG11  VAL   8          1HG1      VAL   8   7.309  -7.942   7.419
   66   HG12  VAL   8          2HG1      VAL   8   7.946  -6.602   8.374
   67   HG13  VAL   8          3HG1      VAL   8   6.290  -6.546   7.769
   68   HG21  VAL   8          1HG2      VAL   8   7.656  -4.061   6.270
   69   HG22  VAL   8          2HG2      VAL   8   6.738  -4.849   4.987
   70   HG23  VAL   8          3HG2      VAL   8   6.138  -4.879   6.645
   71    H    LYS   9           H        LYS   9  10.178  -7.277   4.406
   72    HA   LYS   9           HA       LYS   9  10.453  -9.815   5.463
   73    HB2  LYS   9          2HB       LYS   9  11.525  -8.368   3.138
   74    HB3  LYS   9          3HB       LYS   9  12.514  -9.723   3.666
   75    HG2  LYS   9          2HG       LYS   9  10.995 -11.261   3.022
   76    HG3  LYS   9          3HG       LYS   9   9.619 -10.237   3.436
   77    HD2  LYS   9          2HD       LYS   9   9.446 -10.195   1.160
   78    HD3  LYS   9          3HD       LYS   9  10.528  -8.820   1.391
   79    HE2  LYS   9          2HE       LYS   9  11.759  -9.900  -0.167
   80    HE3  LYS   9          3HE       LYS   9  12.337 -10.797   1.237
   81    HZ1  LYS   9          1HZ       LYS   9  11.536 -12.643   0.352
   82    HZ2  LYS   9          2HZ       LYS   9  11.007 -11.787  -1.008
   83    HZ3  LYS   9          3HZ       LYS   9   9.974 -11.994   0.316
  Start of MODEL    4
    1    H1   THR   1           H        THR   1   3.855   1.894  -1.729
    2    HA   THR   1           HA       THR   1   1.923   0.156  -0.573
    3    HB   THR   1           HB       THR   1   2.644   0.360  -3.500
    4    HG1  THR   1           HG1      THR   1   1.775   2.282  -3.456
    5   HG21  THR   1          1HG2      THR   1   0.247  -0.634  -1.984
    6   HG22  THR   1          2HG2      THR   1   1.193  -1.463  -3.220
    7   HG23  THR   1          3HG2      THR   1   0.132  -0.129  -3.669
    8    H    VAL   2           H        VAL   2   4.302  -0.618  -3.116
    9    HA   VAL   2           HA       VAL   2   4.312  -3.394  -2.217
   10    HB   VAL   2           HB       VAL   2   5.966  -2.474  -4.521
   11   HG11  VAL   2          1HG1      VAL   2   4.234  -4.794  -4.824
   12   HG12  VAL   2          2HG1      VAL   2   5.978  -4.645  -5.046
   13   HG13  VAL   2          3HG1      VAL   2   5.313  -4.918  -3.435
   14   HG21  VAL   2          1HG2      VAL   2   2.962  -2.576  -4.475
   15   HG22  VAL   2          2HG2      VAL   2   4.007  -1.272  -5.039
   16   HG23  VAL   2          3HG2      VAL   2   3.890  -2.770  -5.963
   17    H    TYR   3           H        TYR   3   6.844  -1.115  -3.285
   18    HA   TYR   3           HA       TYR   3   8.977  -2.487  -2.112
   19    HB2  TYR   3          2HB       TYR   3   8.588   0.348  -3.018
   20    HB3  TYR   3          3HB       TYR   3  10.073  -0.122  -2.198
   21    HD1  TYR   3           HD1      TYR   3  11.214  -2.307  -3.190
   22    HD2  TYR   3           HD2      TYR   3   8.529   0.213  -5.321
   23    HE1  TYR   3           HE1      TYR   3  12.127  -3.141  -5.316
   24    HE2  TYR   3           HE2      TYR   3   9.434  -0.615  -7.452
   25    HH   TYR   3           HH       TYR   3  10.650  -2.834  -8.198
   26    H    VAL   4           H        VAL   4   6.714  -0.192  -0.781
   27    HA   VAL   4           HA       VAL   4   8.175   0.441   1.571
   28    HB   VAL   4           HB       VAL   4   5.212   0.596   1.008
   29   HG11  VAL   4          1HG1      VAL   4   5.136   2.120   2.957
   30   HG12  VAL   4          2HG1      VAL   4   5.550   0.461   3.393
   31   HG13  VAL   4          3HG1      VAL   4   6.809   1.695   3.318
   32   HG21  VAL   4          1HG2      VAL   4   7.519   2.377   0.526
   33   HG22  VAL   4          2HG2      VAL   4   6.006   2.212  -0.365
   34   HG23  VAL   4          3HG2      VAL   4   6.050   3.141   1.133
   35    H    TYR   5           H        TYR   5   5.985  -2.136   0.687
   36    HA   TYR   5           HA       TYR   5   5.781  -3.104   3.416
   37    HB2  TYR   5          2HB       TYR   5   3.824  -3.267   1.958
   38    HB3  TYR   5          3HB       TYR   5   4.734  -4.256   0.821
   39    HD1  TYR   5           HD1      TYR   5   3.663  -6.324   0.836
   40    HD2  TYR   5           HD2      TYR   5   4.597  -4.450   4.539
   41    HE1  TYR   5           HE1      TYR   5   2.960  -8.354   2.033
   42    HE2  TYR   5           HE2      TYR   5   3.898  -6.475   5.747
   43    HH   TYR   5           HH       TYR   5   2.356  -9.154   4.105
   44    H    SER   6           H        SER   6   7.882  -3.456   0.790
   45    HA   SER   6           HA       SER   6   8.739  -6.144   1.483
   46    HB2  SER   6          2HB       SER   6   9.932  -4.222  -0.529
   47    HB3  SER   6          3HB       SER   6  10.262  -5.950  -0.401
   48    HG   SER   6           HG       SER   6   8.014  -6.287  -0.869
   49    H    ARG   7           H        ARG   7   9.506  -2.918   2.300
   50    HA   ARG   7           HA       ARG   7  12.217  -2.978   2.822
   51    HB2  ARG   7          2HB       ARG   7  11.875  -1.145   4.283
   52    HB3  ARG   7          3HB       ARG   7  10.628  -1.016   3.050
   53    HG2  ARG   7          2HG       ARG   7   9.084  -2.187   4.672
   54    HG3  ARG   7          3HG       ARG   7  10.333  -1.934   5.893
   55    HD2  ARG   7          2HD       ARG   7   9.525   0.419   4.289
   56    HD3  ARG   7          3HD       ARG   7   8.349  -0.195   5.451
   57    HE   ARG   7           HE       ARG   7  10.716   1.261   6.037
   58   HH11  ARG   7          1HH1      ARG   7   8.667  -1.290   7.225
   59   HH12  ARG   7          2HH1      ARG   7   9.092  -1.037   8.885
   60   HH21  ARG   7          1HH2      ARG   7  11.285   1.605   8.220
   61   HH22  ARG   7          2HH2      ARG   7  10.581   0.611   9.450
   62    H    VAL   8           H        VAL   8   9.597  -4.464   4.578
   63    HA   VAL   8           HA       VAL   8  10.804  -4.933   7.041
   64    HB   VAL   8           HB       VAL   8   8.957  -6.862   5.635
   65   HG11  VAL   8          1HG1      VAL   8   8.246  -6.889   8.233
   66   HG12  VAL   8          2HG1      VAL   8   9.428  -7.994   7.530
   67   HG13  VAL   8          3HG1      VAL   8   9.970  -6.550   8.385
   68   HG21  VAL   8          1HG2      VAL   8   7.192  -5.540   6.967
   69   HG22  VAL   8          2HG2      VAL   8   8.401  -4.257   7.010
   70   HG23  VAL   8          3HG2      VAL   8   7.798  -4.849   5.462
   71    H    LYS   9           H        LYS   9  11.205  -6.564   3.971
   72    HA   LYS   9           HA       LYS   9  13.340  -8.188   5.179
   73    HB2  LYS   9          2HB       LYS   9  12.737 -10.046   3.674
   74    HB3  LYS   9          3HB       LYS   9  11.441  -9.657   4.798
   75    HG2  LYS   9          2HG       LYS   9  11.069  -8.132   2.424
   76    HG3  LYS   9          3HG       LYS   9  11.336  -9.820   1.982
   77    HD2  LYS   9          2HD       LYS   9   9.512  -9.359   4.254
   78    HD3  LYS   9          3HD       LYS   9   8.933  -8.808   2.680
   79    HE2  LYS   9          2HE       LYS   9   9.941 -11.273   2.082
   80    HE3  LYS   9          3HE       LYS   9   9.312 -11.526   3.709
   81    HZ1  LYS   9          1HZ       LYS   9   7.167 -10.772   3.010
   82    HZ2  LYS   9          2HZ       LYS   9   7.677 -11.978   1.939
   83    HZ3  LYS   9          3HZ       LYS   9   7.746 -10.352   1.477
  Start of MODEL    5
    1    H1   THR   1           H        THR   1   2.006   0.596   0.999
    2    HA   THR   1           HA       THR   1   1.495   0.281  -1.828
    3    HB   THR   1           HB       THR   1   4.295   0.599  -0.991
    4    HG1  THR   1           HG1      THR   1   3.530   1.845   0.650
    5   HG21  THR   1          1HG2      THR   1   3.813   2.705  -2.518
    6   HG22  THR   1          2HG2      THR   1   2.389   1.764  -2.961
    7   HG23  THR   1          3HG2      THR   1   4.001   1.094  -3.210
    8    H    VAL   2           H        VAL   2   3.490  -0.826  -3.034
    9    HA   VAL   2           HA       VAL   2   3.464  -3.597  -2.114
   10    HB   VAL   2           HB       VAL   2   4.741  -2.800  -4.687
   11   HG11  VAL   2          1HG1      VAL   2   3.421  -5.167  -3.501
   12   HG12  VAL   2          2HG1      VAL   2   3.223  -4.928  -5.238
   13   HG13  VAL   2          3HG1      VAL   2   4.839  -5.061  -4.543
   14   HG21  VAL   2          1HG2      VAL   2   2.430  -2.960  -5.737
   15   HG22  VAL   2          2HG2      VAL   2   1.791  -2.698  -4.114
   16   HG23  VAL   2          3HG2      VAL   2   2.806  -1.470  -4.870
   17    H    TYR   3           H        TYR   3   5.911  -1.497  -3.646
   18    HA   TYR   3           HA       TYR   3   8.122  -3.007  -2.840
   19    HB2  TYR   3          2HB       TYR   3   7.685  -0.673  -4.329
   20    HB3  TYR   3          3HB       TYR   3   8.763  -0.190  -3.023
   21    HD1  TYR   3           HD1      TYR   3  11.010  -0.285  -3.502
   22    HD2  TYR   3           HD2      TYR   3   8.407  -3.078  -5.380
   23    HE1  TYR   3           HE1      TYR   3  12.921  -1.237  -4.723
   24    HE2  TYR   3           HE2      TYR   3  10.311  -4.038  -6.605
   25    HH   TYR   3           HH       TYR   3  12.549  -4.081  -6.790
   26    H    VAL   4           H        VAL   4   6.223  -0.658  -1.140
   27    HA   VAL   4           HA       VAL   4   8.113  -0.012   0.881
   28    HB   VAL   4           HB       VAL   4   5.098   0.161   0.893
   29   HG11  VAL   4          1HG1      VAL   4   5.880   0.042   3.170
   30   HG12  VAL   4          2HG1      VAL   4   7.112   1.265   2.847
   31   HG13  VAL   4          3HG1      VAL   4   5.402   1.700   2.806
   32   HG21  VAL   4          1HG2      VAL   4   7.264   2.183   0.349
   33   HG22  VAL   4          2HG2      VAL   4   6.036   1.598  -0.774
   34   HG23  VAL   4          3HG2      VAL   4   5.569   2.599   0.601
   35    H    TYR   5           H        TYR   5   5.896  -2.642   0.400
   36    HA   TYR   5           HA       TYR   5   5.921  -3.540   3.126
   37    HB2  TYR   5          2HB       TYR   5   4.728  -4.432   0.577
   38    HB3  TYR   5          3HB       TYR   5   5.112  -5.719   1.715
   39    HD1  TYR   5           HD1      TYR   5   3.916  -2.255   2.388
   40    HD2  TYR   5           HD2      TYR   5   3.048  -6.418   2.542
   41    HE1  TYR   5           HE1      TYR   5   1.845  -1.772   3.624
   42    HE2  TYR   5           HE2      TYR   5   0.975  -5.946   3.777
   43    HH   TYR   5           HH       TYR   5   0.086  -4.117   5.250
   44    H    SER   6           H        SER   6   8.082  -3.745   0.532
   45    HA   SER   6           HA       SER   6   9.256  -6.278   1.256
   46    HB2  SER   6          2HB       SER   6   9.220  -5.224  -1.089
   47    HB3  SER   6          3HB       SER   6  10.532  -4.196  -0.512
   48    HG   SER   6           HG       SER   6  11.446  -6.394   0.155
   49    H    ARG   7           H        ARG   7   9.554  -3.027   2.257
   50    HA   ARG   7           HA       ARG   7  12.211  -2.803   2.997
   51    HB2  ARG   7          2HB       ARG   7  11.546  -1.071   4.470
   52    HB3  ARG   7          3HB       ARG   7  10.399  -1.035   3.137
   53    HG2  ARG   7          2HG       ARG   7   8.848  -2.395   4.572
   54    HG3  ARG   7          3HG       ARG   7   9.967  -2.115   5.908
   55    HD2  ARG   7          2HD       ARG   7   9.287   0.329   4.491
   56    HD3  ARG   7          3HD       ARG   7   7.869  -0.482   5.153
   57    HE   ARG   7           HE       ARG   7   9.930   0.862   6.619
   58   HH11  ARG   7          1HH1      ARG   7   7.538  -1.664   6.755
   59   HH12  ARG   7          2HH1      ARG   7   7.382  -1.604   8.479
   60   HH21  ARG   7          1HH2      ARG   7   9.734   0.951   8.890
   61   HH22  ARG   7          2HH2      ARG   7   8.631  -0.115   9.693
   62    H    VAL   8           H        VAL   8   9.636  -4.626   4.481
   63    HA   VAL   8           HA       VAL   8  10.682  -5.047   7.026
   64    HB   VAL   8           HB       VAL   8   9.179  -7.114   5.419
   65   HG11  VAL   8          1HG1      VAL   8   9.856  -6.746   8.281
   66   HG12  VAL   8          2HG1      VAL   8   8.253  -7.378   7.901
   67   HG13  VAL   8          3HG1      VAL   8   9.694  -8.225   7.335
   68   HG21  VAL   8          1HG2      VAL   8   7.862  -5.183   5.206
   69   HG22  VAL   8          2HG2      VAL   8   7.161  -6.055   6.570
   70   HG23  VAL   8          3HG2      VAL   8   8.205  -4.662   6.856
   71    H    LYS   9           H        LYS   9  11.519  -6.504   3.959
   72    HA   LYS   9           HA       LYS   9  13.033  -8.668   5.018
   73    HB2  LYS   9          2HB       LYS   9  13.245  -7.343   2.308
   74    HB3  LYS   9          3HB       LYS   9  13.894  -8.919   2.741
   75    HG2  LYS   9          2HG       LYS   9  10.984  -8.150   2.639
   76    HG3  LYS   9          3HG       LYS   9  11.848  -9.172   1.487
   77    HD2  LYS   9          2HD       LYS   9  12.407 -10.571   3.640
   78    HD3  LYS   9          3HD       LYS   9  10.972  -9.765   4.277
   79    HE2  LYS   9          2HE       LYS   9   9.568 -10.903   2.916
   80    HE3  LYS   9          3HE       LYS   9  10.715 -10.925   1.576
   81    HZ1  LYS   9          1HZ       LYS   9  10.882 -13.081   2.115
   82    HZ2  LYS   9          2HZ       LYS   9  10.305 -12.861   3.689
   83    HZ3  LYS   9          3HZ       LYS   9  11.925 -12.535   3.330
  Start of MODEL    6
    1    H1   THR   1           H        THR   1   2.991   0.150   1.289
    2    HA   THR   1           HA       THR   1   1.953  -0.368  -1.403
    3    HB   THR   1           HB       THR   1   4.757   0.467  -1.186
    4    HG1  THR   1           HG1      THR   1   3.836   2.724  -0.750
    5   HG21  THR   1          1HG2      THR   1   2.351   1.044  -2.819
    6   HG22  THR   1          2HG2      THR   1   4.010   0.721  -3.321
    7   HG23  THR   1          3HG2      THR   1   3.568   2.315  -2.711
    8    H    VAL   2           H        VAL   2   4.018  -1.217  -2.818
    9    HA   VAL   2           HA       VAL   2   4.509  -3.883  -1.740
   10    HB   VAL   2           HB       VAL   2   5.422  -3.089  -4.465
   11   HG11  VAL   2          1HG1      VAL   2   5.871  -5.332  -3.732
   12   HG12  VAL   2          2HG1      VAL   2   4.183  -5.566  -3.273
   13   HG13  VAL   2          3HG1      VAL   2   4.620  -5.385  -4.973
   14   HG21  VAL   2          1HG2      VAL   2   3.080  -3.664  -5.275
   15   HG22  VAL   2          2HG2      VAL   2   2.553  -3.383  -3.616
   16   HG23  VAL   2          3HG2      VAL   2   3.297  -2.077  -4.538
   17    H    TYR   3           H        TYR   3   6.465  -1.560  -3.616
   18    HA   TYR   3           HA       TYR   3   8.941  -2.668  -2.934
   19    HB2  TYR   3          2HB       TYR   3   8.239   0.152  -3.767
   20    HB3  TYR   3          3HB       TYR   3   9.882  -0.472  -3.670
   21    HD1  TYR   3           HD1      TYR   3   7.267   0.180  -5.853
   22    HD2  TYR   3           HD2      TYR   3  10.176  -2.805  -4.995
   23    HE1  TYR   3           HE1      TYR   3   7.078  -0.658  -8.157
   24    HE2  TYR   3           HE2      TYR   3   9.995  -3.651  -7.297
   25    HH   TYR   3           HH       TYR   3   9.206  -3.186  -9.373
   26    H    VAL   4           H        VAL   4   6.932  -0.313  -1.302
   27    HA   VAL   4           HA       VAL   4   8.908   0.581   0.544
   28    HB   VAL   4           HB       VAL   4   5.893   0.688   0.684
   29   HG11  VAL   4          1HG1      VAL   4   7.964   1.996   2.442
   30   HG12  VAL   4          2HG1      VAL   4   6.247   2.404   2.436
   31   HG13  VAL   4          3HG1      VAL   4   6.770   0.792   2.925
   32   HG21  VAL   4          1HG2      VAL   4   7.993   2.665  -0.176
   33   HG22  VAL   4          2HG2      VAL   4   6.669   2.004  -1.134
   34   HG23  VAL   4          3HG2      VAL   4   6.329   3.121   0.188
   35    H    TYR   5           H        TYR   5   6.604  -2.054   0.496
   36    HA   TYR   5           HA       TYR   5   6.725  -2.714   3.242
   37    HB2  TYR   5          2HB       TYR   5   5.603  -3.864   0.811
   38    HB3  TYR   5          3HB       TYR   5   6.213  -5.096   1.909
   39    HD1  TYR   5           HD1      TYR   5   4.574  -1.825   2.633
   40    HD2  TYR   5           HD2      TYR   5   4.346  -6.065   2.894
   41    HE1  TYR   5           HE1      TYR   5   2.528  -1.626   3.984
   42    HE2  TYR   5           HE2      TYR   5   2.299  -5.878   4.245
   43    HH   TYR   5           HH       TYR   5   0.939  -4.485   5.343
   44    H    SER   6           H        SER   6   9.000  -3.015   0.759
   45    HA   SER   6           HA       SER   6  10.321  -5.393   1.443
   46    HB2  SER   6          2HB       SER   6  10.639  -3.718  -0.577
   47    HB3  SER   6          3HB       SER   6  11.884  -3.035   0.469
   48    HG   SER   6           HG       SER   6  12.756  -5.196   0.602
   49    H    ARG   7           H        ARG   7  10.124  -2.396   3.068
   50    HA   ARG   7           HA       ARG   7  12.548  -2.191   4.384
   51    HB2  ARG   7          2HB       ARG   7  11.222  -1.094   6.225
   52    HB3  ARG   7          3HB       ARG   7  10.955  -0.435   4.616
   53    HG2  ARG   7          2HG       ARG   7   8.783  -0.727   4.895
   54    HG3  ARG   7          3HG       ARG   7   9.049  -2.470   4.967
   55    HD2  ARG   7          2HD       ARG   7   8.888  -2.538   7.227
   56    HD3  ARG   7          3HD       ARG   7   9.620  -0.947   7.433
   57    HE   ARG   7           HE       ARG   7   7.525  -0.052   7.485
   58   HH11  ARG   7          1HH1      ARG   7   7.358  -3.185   5.977
   59   HH12  ARG   7          2HH1      ARG   7   5.629  -3.185   5.868
   60   HH21  ARG   7          1HH2      ARG   7   5.248  -0.040   7.347
   61   HH22  ARG   7          2HH2      ARG   7   4.430  -1.396   6.647
   62    H    VAL   8           H        VAL   8   9.943  -4.440   4.884
   63    HA   VAL   8           HA       VAL   8  10.692  -5.312   7.483
   64    HB   VAL   8           HB       VAL   8   9.086  -6.705   5.337
   65   HG11  VAL   8          1HG1      VAL   8   9.999  -8.364   6.830
   66   HG12  VAL   8          2HG1      VAL   8   9.489  -7.430   8.237
   67   HG13  VAL   8          3HG1      VAL   8   8.282  -8.155   7.174
   68   HG21  VAL   8          1HG2      VAL   8   7.504  -5.252   5.915
   69   HG22  VAL   8          2HG2      VAL   8   7.474  -6.010   7.508
   70   HG23  VAL   8          3HG2      VAL   8   8.497  -4.603   7.220
   71    H    LYS   9           H        LYS   9  10.815  -7.246   4.496
   72    HA   LYS   9           HA       LYS   9  13.483  -8.193   5.293
   73    HB2  LYS   9          2HB       LYS   9  12.842 -10.475   4.560
   74    HB3  LYS   9          3HB       LYS   9  11.932  -9.922   5.960
   75    HG2  LYS   9          2HG       LYS   9  10.222 -10.781   4.755
   76    HG3  LYS   9          3HG       LYS   9  10.233  -9.154   4.070
   77    HD2  LYS   9          2HD       LYS   9  11.144  -9.849   2.085
   78    HD3  LYS   9          3HD       LYS   9  11.963 -11.229   2.820
   79    HE2  LYS   9          2HE       LYS   9  10.200 -12.589   2.515
   80    HE3  LYS   9          3HE       LYS   9   9.037 -11.340   2.956
   81    HZ1  LYS   9          1HZ       LYS   9   9.530 -10.357   0.694
   82    HZ2  LYS   9          2HZ       LYS   9   8.643 -11.797   0.711
   83    HZ3  LYS   9          3HZ       LYS   9  10.289 -11.822   0.319
  Start of MODEL    7
    1    H1   THR   1           H        THR   1   2.153  -0.909   0.959
    2    HA   THR   1           HA       THR   1   1.840  -1.793  -1.747
    3    HB   THR   1           HB       THR   1   4.354  -0.427  -1.198
    4    HG1  THR   1           HG1      THR   1   2.974   1.578  -0.711
    5   HG21  THR   1          1HG2      THR   1   3.863   0.580  -3.149
    6   HG22  THR   1          2HG2      THR   1   2.221   0.974  -2.641
    7   HG23  THR   1          3HG2      THR   1   2.588  -0.631  -3.271
    8    H    VAL   2           H        VAL   2   4.267  -2.094  -2.821
    9    HA   VAL   2           HA       VAL   2   5.118  -4.671  -1.747
   10    HB   VAL   2           HB       VAL   2   6.277  -3.543  -4.252
   11   HG11  VAL   2          1HG1      VAL   2   6.635  -5.729  -4.818
   12   HG12  VAL   2          2HG1      VAL   2   6.679  -5.863  -3.059
   13   HG13  VAL   2          3HG1      VAL   2   5.217  -6.304  -3.942
   14   HG21  VAL   2          1HG2      VAL   2   4.273  -4.527  -5.470
   15   HG22  VAL   2          2HG2      VAL   2   3.434  -4.464  -3.920
   16   HG23  VAL   2          3HG2      VAL   2   4.027  -2.979  -4.662
   17    H    TYR   3           H        TYR   3   6.824  -1.890  -3.197
   18    HA   TYR   3           HA       TYR   3   9.314  -2.535  -2.041
   19    HB2  TYR   3          2HB       TYR   3   8.273   0.072  -3.163
   20    HB3  TYR   3          3HB       TYR   3   9.949  -0.203  -2.703
   21    HD1  TYR   3           HD1      TYR   3   7.595  -0.377  -5.337
   22    HD2  TYR   3           HD2      TYR   3  11.128  -2.225  -3.853
   23    HE1  TYR   3           HE1      TYR   3   8.051  -1.288  -7.575
   24    HE2  TYR   3           HE2      TYR   3  11.595  -3.140  -6.087
   25    HH   TYR   3           HH       TYR   3   9.411  -2.518  -8.821
   26    H    VAL   4           H        VAL   4   6.609  -0.618  -0.941
   27    HA   VAL   4           HA       VAL   4   7.961   0.723   1.169
   28    HB   VAL   4           HB       VAL   4   5.024   0.130   0.790
   29   HG11  VAL   4          1HG1      VAL   4   4.663   1.916   2.466
   30   HG12  VAL   4          2HG1      VAL   4   5.452   0.487   3.137
   31   HG13  VAL   4          3HG1      VAL   4   6.398   1.932   2.780
   32   HG21  VAL   4          1HG2      VAL   4   5.835   2.891   0.580
   33   HG22  VAL   4          2HG2      VAL   4   6.725   1.882  -0.561
   34   HG23  VAL   4          3HG2      VAL   4   4.961   1.886  -0.577
   35    H    TYR   5           H        TYR   5   6.355  -2.373   0.879
   36    HA   TYR   5           HA       TYR   5   6.581  -2.867   3.745
   37    HB2  TYR   5          2HB       TYR   5   5.224  -4.267   1.468
   38    HB3  TYR   5          3HB       TYR   5   5.554  -5.142   2.959
   39    HD1  TYR   5           HD1      TYR   5   3.674  -5.343   4.269
   40    HD2  TYR   5           HD2      TYR   5   4.307  -1.705   2.156
   41    HE1  TYR   5           HE1      TYR   5   1.629  -4.412   5.271
   42    HE2  TYR   5           HE2      TYR   5   2.265  -0.764   3.153
   43    HH   TYR   5           HH       TYR   5   0.910  -1.493   5.607
   44    H    SER   6           H        SER   6   8.369  -3.343   0.915
   45    HA   SER   6           HA       SER   6   9.607  -5.813   1.395
   46    HB2  SER   6          2HB       SER   6   9.859  -3.703  -0.480
   47    HB3  SER   6          3HB       SER   6  11.467  -3.997   0.180
   48    HG   SER   6           HG       SER   6  11.439  -6.015  -0.594
   49    H    ARG   7           H        ARG   7   9.918  -2.807   2.987
   50    HA   ARG   7           HA       ARG   7  12.538  -2.792   3.875
   51    HB2  ARG   7          2HB       ARG   7  11.631  -1.591   5.895
   52    HB3  ARG   7          3HB       ARG   7  11.148  -0.915   4.345
   53    HG2  ARG   7          2HG       ARG   7   9.038  -1.034   4.992
   54    HG3  ARG   7          3HG       ARG   7   9.177  -2.793   5.042
   55    HD2  ARG   7          2HD       ARG   7   8.520  -2.358   7.196
   56    HD3  ARG   7          3HD       ARG   7  10.274  -2.328   7.376
   57    HE   ARG   7           HE       ARG   7  10.143  -0.103   7.884
   58   HH11  ARG   7          1HH1      ARG   7   7.167  -1.098   6.377
   59   HH12  ARG   7          2HH1      ARG   7   6.362   0.407   6.673
   60   HH21  ARG   7          1HH2      ARG   7   9.094   1.883   8.280
   61   HH22  ARG   7          2HH2      ARG   7   7.459   2.103   7.755
   62    H    VAL   8           H        VAL   8   9.887  -4.827   4.839
   63    HA   VAL   8           HA       VAL   8  10.983  -5.751   7.290
   64    HB   VAL   8           HB       VAL   8   8.961  -7.033   5.448
   65   HG11  VAL   8          1HG1      VAL   8   8.358  -8.410   7.413
   66   HG12  VAL   8          2HG1      VAL   8   9.984  -8.743   6.812
   67   HG13  VAL   8          3HG1      VAL   8   9.762  -7.764   8.262
   68   HG21  VAL   8          1HG2      VAL   8   7.473  -6.287   7.457
   69   HG22  VAL   8          2HG2      VAL   8   8.787  -5.150   7.761
   70   HG23  VAL   8          3HG2      VAL   8   7.932  -5.117   6.219
   71    H    LYS   9           H        LYS   9  10.489  -7.695   4.349
   72    HA   LYS   9           HA       LYS   9  12.534  -9.543   5.080
   73    HB2  LYS   9          2HB       LYS   9  12.072 -10.606   2.937
   74    HB3  LYS   9          3HB       LYS   9  10.568 -10.208   3.758
   75    HG2  LYS   9          2HG       LYS   9  11.083  -7.980   2.203
   76    HG3  LYS   9          3HG       LYS   9  11.564  -9.338   1.183
   77    HD2  LYS   9          2HD       LYS   9   9.243 -10.295   2.125
   78    HD3  LYS   9          3HD       LYS   9   8.891  -8.567   2.194
   79    HE2  LYS   9          2HE       LYS   9   8.182  -9.150   0.065
   80    HE3  LYS   9          3HE       LYS   9   9.805  -8.526  -0.224
   81    HZ1  LYS   9          1HZ       LYS   9   9.594 -11.380   0.300
   82    HZ2  LYS   9          2HZ       LYS   9  10.580 -10.550  -0.796
   83    HZ3  LYS   9          3HZ       LYS   9   8.958 -10.846  -1.174
  Start of MODEL    8
    1    H1   THR   1           H        THR   1   2.017  -1.905   1.355
    2    HA   THR   1           HA       THR   1   1.349  -1.977  -1.472
    3    HB   THR   1           HB       THR   1   3.780  -0.521  -0.792
    4    HG1  THR   1           HG1      THR   1   1.352   0.141   0.550
    5   HG21  THR   1          1HG2      THR   1   2.879   1.097  -2.177
    6   HG22  THR   1          2HG2      THR   1   1.219   0.710  -1.724
    7   HG23  THR   1          3HG2      THR   1   2.113  -0.364  -2.799
    8    H    VAL   2           H        VAL   2   3.635  -1.743  -2.806
    9    HA   VAL   2           HA       VAL   2   4.842  -4.383  -2.492
   10    HB   VAL   2           HB       VAL   2   5.569  -2.571  -4.746
   11   HG11  VAL   2          1HG1      VAL   2   5.987  -4.523  -5.897
   12   HG12  VAL   2          2HG1      VAL   2   6.379  -5.002  -4.244
   13   HG13  VAL   2          3HG1      VAL   2   4.827  -5.455  -4.950
   14   HG21  VAL   2          1HG2      VAL   2   3.245  -2.197  -4.777
   15   HG22  VAL   2          2HG2      VAL   2   3.525  -3.472  -5.962
   16   HG23  VAL   2          3HG2      VAL   2   2.887  -3.875  -4.368
   17    H    TYR   3           H        TYR   3   6.092  -1.158  -3.377
   18    HA   TYR   3           HA       TYR   3   8.761  -1.713  -2.751
   19    HB2  TYR   3          2HB       TYR   3   7.392   0.417  -3.845
   20    HB3  TYR   3          3HB       TYR   3   7.994   1.079  -2.330
   21    HD1  TYR   3           HD1      TYR   3  10.566   0.360  -1.863
   22    HD2  TYR   3           HD2      TYR   3   8.735   0.719  -5.687
   23    HE1  TYR   3           HE1      TYR   3  12.778   0.697  -2.884
   24    HE2  TYR   3           HE2      TYR   3  10.942   1.055  -6.719
   25    HH   TYR   3           HH       TYR   3  13.746   0.280  -5.358
   26    H    VAL   4           H        VAL   4   6.094  -0.657  -0.758
   27    HA   VAL   4           HA       VAL   4   7.631   0.172   1.484
   28    HB   VAL   4           HB       VAL   4   4.754  -0.733   1.309
   29   HG11  VAL   4          1HG1      VAL   4   5.535  -1.039   3.571
   30   HG12  VAL   4          2HG1      VAL   4   6.241   0.578   3.582
   31   HG13  VAL   4          3HG1      VAL   4   4.490   0.379   3.503
   32   HG21  VAL   4          1HG2      VAL   4   4.352   1.743   1.579
   33   HG22  VAL   4          2HG2      VAL   4   6.074   1.973   1.276
   34   HG23  VAL   4          3HG2      VAL   4   5.050   1.247   0.037
   35    H    TYR   5           H        TYR   5   6.354  -2.903   0.408
   36    HA   TYR   5           HA       TYR   5   7.090  -4.206   2.909
   37    HB2  TYR   5          2HB       TYR   5   5.330  -4.818   0.660
   38    HB3  TYR   5          3HB       TYR   5   6.307  -6.196   1.153
   39    HD1  TYR   5           HD1      TYR   5   6.471  -6.141   3.969
   40    HD2  TYR   5           HD2      TYR   5   3.201  -4.946   1.523
   41    HE1  TYR   5           HE1      TYR   5   4.926  -6.572   5.833
   42    HE2  TYR   5           HE2      TYR   5   1.647  -5.373   3.381
   43    HH   TYR   5           HH       TYR   5   2.541  -7.082   6.168
   44    H    SER   6           H        SER   6   8.465  -3.491  -0.097
   45    HA   SER   6           HA       SER   6  10.100  -5.778  -0.465
   46    HB2  SER   6          2HB       SER   6   9.885  -3.079  -1.630
   47    HB3  SER   6          3HB       SER   6  11.506  -3.773  -1.677
   48    HG   SER   6           HG       SER   6   9.948  -4.245  -3.477
   49    H    ARG   7           H        ARG   7  10.242  -3.147   1.708
   50    HA   ARG   7           HA       ARG   7  13.099  -3.461   2.203
   51    HB2  ARG   7          2HB       ARG   7  12.724  -1.610   3.860
   52    HB3  ARG   7          3HB       ARG   7  12.350  -1.193   2.193
   53    HG2  ARG   7          2HG       ARG   7  10.050  -1.211   2.578
   54    HG3  ARG   7          3HG       ARG   7  10.218  -2.126   4.078
   55    HD2  ARG   7          2HD       ARG   7  11.469   0.576   3.834
   56    HD3  ARG   7          3HD       ARG   7   9.740   0.439   4.150
   57    HE   ARG   7           HE       ARG   7  11.256  -1.177   5.933
   58   HH11  ARG   7          1HH1      ARG   7  10.275   2.103   5.301
   59   HH12  ARG   7          2HH1      ARG   7  10.396   2.596   6.958
   60   HH21  ARG   7          1HH2      ARG   7  11.419  -0.540   8.117
   61   HH22  ARG   7          2HH2      ARG   7  11.047   1.093   8.559
   62    H    VAL   8           H        VAL   8  10.016  -4.310   3.571
   63    HA   VAL   8           HA       VAL   8  10.935  -4.955   6.183
   64    HB   VAL   8           HB       VAL   8   8.486  -5.886   4.680
   65   HG11  VAL   8          1HG1      VAL   8   9.005  -7.501   6.392
   66   HG12  VAL   8          2HG1      VAL   8   9.222  -6.220   7.586
   67   HG13  VAL   8          3HG1      VAL   8   7.624  -6.534   6.909
   68   HG21  VAL   8          1HG2      VAL   8   8.165  -3.626   4.996
   69   HG22  VAL   8          2HG2      VAL   8   7.461  -4.285   6.473
   70   HG23  VAL   8          3HG2      VAL   8   9.084  -3.596   6.501
   71    H    LYS   9           H        LYS   9   9.648  -7.239   3.775
   72    HA   LYS   9           HA       LYS   9  10.942  -9.472   4.920
   73    HB2  LYS   9          2HB       LYS   9   9.769  -9.099   2.159
   74    HB3  LYS   9          3HB       LYS   9  10.269 -10.645   2.832
   75    HG2  LYS   9          2HG       LYS   9   8.207  -8.904   4.148
   76    HG3  LYS   9          3HG       LYS   9   7.801 -10.110   2.925
   77    HD2  LYS   9          2HD       LYS   9   9.488 -11.381   4.793
   78    HD3  LYS   9          3HD       LYS   9   8.296 -10.469   5.722
   79    HE2  LYS   9          2HE       LYS   9   7.249 -11.984   3.421
   80    HE3  LYS   9          3HE       LYS   9   7.879 -12.953   4.752
   81    HZ1  LYS   9          1HZ       LYS   9   6.419 -11.693   6.256
   82    HZ2  LYS   9          2HZ       LYS   9   5.552 -12.549   5.083
   83    HZ3  LYS   9          3HZ       LYS   9   5.762 -10.878   4.927
  Start of MODEL    9
    1    H1   THR   1           H        THR   1   2.842   2.112  -0.099
    2    HA   THR   1           HA       THR   1   2.406   0.655  -2.317
    3    HB   THR   1           HB       THR   1   5.259   1.400  -1.854
    4    HG1  THR   1           HG1      THR   1   3.183   3.325  -2.189
    5   HG21  THR   1          1HG2      THR   1   3.456   1.029  -4.074
    6   HG22  THR   1          2HG2      THR   1   5.211   1.202  -4.076
    7   HG23  THR   1          3HG2      THR   1   4.183   2.634  -4.126
    8    H    VAL   2           H        VAL   2   3.619  -0.992  -3.471
    9    HA   VAL   2           HA       VAL   2   3.863  -3.385  -2.148
   10    HB   VAL   2           HB       VAL   2   5.374  -4.088  -4.076
   11   HG11  VAL   2          1HG1      VAL   2   3.500  -4.606  -5.177
   12   HG12  VAL   2          2HG1      VAL   2   2.654  -3.716  -3.910
   13   HG13  VAL   2          3HG1      VAL   2   3.075  -2.912  -5.423
   14   HG21  VAL   2          1HG2      VAL   2   4.849  -1.227  -4.857
   15   HG22  VAL   2          2HG2      VAL   2   6.411  -2.016  -4.637
   16   HG23  VAL   2          3HG2      VAL   2   5.378  -2.467  -5.993
   17    H    TYR   3           H        TYR   3   6.470  -1.099  -2.932
   18    HA   TYR   3           HA       TYR   3   8.602  -2.577  -1.909
   19    HB2  TYR   3          2HB       TYR   3   8.128   0.347  -2.354
   20    HB3  TYR   3          3HB       TYR   3   9.581  -0.177  -1.510
   21    HD1  TYR   3           HD1      TYR   3  11.405  -1.144  -2.689
   22    HD2  TYR   3           HD2      TYR   3   7.733  -0.393  -4.703
   23    HE1  TYR   3           HE1      TYR   3  12.505  -1.579  -4.845
   24    HE2  TYR   3           HE2      TYR   3   8.823  -0.828  -6.865
   25    HH   TYR   3           HH       TYR   3  11.300  -0.683  -7.738
   26    H    VAL   4           H        VAL   4   6.272  -0.502  -0.306
   27    HA   VAL   4           HA       VAL   4   7.534  -0.172   2.159
   28    HB   VAL   4           HB       VAL   4   4.560  -0.520   1.778
   29   HG11  VAL   4          1HG1      VAL   4   4.807  -0.344   4.039
   30   HG12  VAL   4          2HG1      VAL   4   6.308   0.576   3.917
   31   HG13  VAL   4          3HG1      VAL   4   4.760   1.369   3.622
   32   HG21  VAL   4          1HG2      VAL   4   4.582   1.992   1.509
   33   HG22  VAL   4          2HG2      VAL   4   6.322   1.864   1.252
   34   HG23  VAL   4          3HG2      VAL   4   5.206   1.069   0.142
   35    H    TYR   5           H        TYR   5   5.839  -2.909   0.820
   36    HA   TYR   5           HA       TYR   5   5.835  -4.307   3.378
   37    HB2  TYR   5          2HB       TYR   5   4.094  -4.349   1.255
   38    HB3  TYR   5          3HB       TYR   5   5.026  -5.819   0.995
   39    HD1  TYR   5           HD1      TYR   5   4.002  -7.708   1.811
   40    HD2  TYR   5           HD2      TYR   5   3.562  -4.063   3.961
   41    HE1  TYR   5           HE1      TYR   5   2.638  -8.873   3.494
   42    HE2  TYR   5           HE2      TYR   5   2.198  -5.218   5.651
   43    HH   TYR   5           HH       TYR   5   0.697  -7.930   5.262
   44    H    SER   6           H        SER   6   7.828  -3.935   0.671
   45    HA   SER   6           HA       SER   6   9.092  -6.548   0.952
   46    HB2  SER   6          2HB       SER   6   9.057  -4.424  -1.090
   47    HB3  SER   6          3HB       SER   6  10.626  -5.197  -0.864
   48    HG   SER   6           HG       SER   6   9.856  -6.782  -1.987
   49    H    ARG   7           H        ARG   7   9.452  -3.339   2.065
   50    HA   ARG   7           HA       ARG   7  12.240  -3.209   2.421
   51    HB2  ARG   7          2HB       ARG   7  11.838  -1.349   3.832
   52    HB3  ARG   7          3HB       ARG   7  10.572  -1.310   2.613
   53    HG2  ARG   7          2HG       ARG   7   9.125  -2.536   4.316
   54    HG3  ARG   7          3HG       ARG   7  10.364  -2.102   5.496
   55    HD2  ARG   7          2HD       ARG   7   9.617   0.173   3.884
   56    HD3  ARG   7          3HD       ARG   7   8.205  -0.544   4.659
   57    HE   ARG   7           HE       ARG   7  10.237  -0.303   6.568
   58   HH11  ARG   7          1HH1      ARG   7   8.143   1.710   4.648
   59   HH12  ARG   7          2HH1      ARG   7   8.115   3.004   5.800
   60   HH21  ARG   7          1HH2      ARG   7  10.208   1.394   8.092
   61   HH22  ARG   7          2HH2      ARG   7   9.291   2.824   7.758
   62    H    VAL   8           H        VAL   8   9.708  -4.751   4.255
   63    HA   VAL   8           HA       VAL   8  10.964  -5.094   6.714
   64    HB   VAL   8           HB       VAL   8   9.185  -7.141   5.391
   65   HG11  VAL   8          1HG1      VAL   8   8.471  -7.290   7.906
   66   HG12  VAL   8          2HG1      VAL   8   9.912  -8.133   7.335
   67   HG13  VAL   8          3HG1      VAL   8  10.067  -6.596   8.187
   68   HG21  VAL   8          1HG2      VAL   8   7.871  -5.265   5.180
   69   HG22  VAL   8          2HG2      VAL   8   7.417  -5.813   6.793
   70   HG23  VAL   8          3HG2      VAL   8   8.563  -4.487   6.603
   71    H    LYS   9           H        LYS   9  11.409  -6.785   3.686
   72    HA   LYS   9           HA       LYS   9  13.852  -7.963   4.661
   73    HB2  LYS   9          2HB       LYS   9  13.283 -10.260   4.281
   74    HB3  LYS   9          3HB       LYS   9  12.080  -9.583   5.371
   75    HG2  LYS   9          2HG       LYS   9  10.961  -9.161   2.902
   76    HG3  LYS   9          3HG       LYS   9  11.768 -10.720   2.711
   77    HD2  LYS   9          2HD       LYS   9  10.638 -11.484   4.798
   78    HD3  LYS   9          3HD       LYS   9   9.739  -9.965   4.812
   79    HE2  LYS   9          2HE       LYS   9   9.684 -12.055   2.637
   80    HE3  LYS   9          3HE       LYS   9   8.413 -11.751   3.821
   81    HZ1  LYS   9          1HZ       LYS   9   8.768  -9.320   2.724
   82    HZ2  LYS   9          2HZ       LYS   9   7.584 -10.427   2.242
   83    HZ3  LYS   9          3HZ       LYS   9   9.044 -10.328   1.393
  Start of MODEL   10
    1    H1   THR   1           H        THR   1   2.095   0.231   1.197
    2    HA   THR   1           HA       THR   1   1.509  -0.331  -1.537
    3    HB   THR   1           HB       THR   1   4.231   0.600  -1.022
    4    HG1  THR   1           HG1      THR   1   3.463   2.641  -0.161
    5   HG21  THR   1          1HG2      THR   1   2.473   0.800  -3.052
    6   HG22  THR   1          2HG2      THR   1   3.805   1.930  -2.809
    7   HG23  THR   1          3HG2      THR   1   2.184   2.343  -2.250
    8    H    VAL   2           H        VAL   2   3.671  -0.921  -2.891
    9    HA   VAL   2           HA       VAL   2   4.286  -3.652  -2.060
   10    HB   VAL   2           HB       VAL   2   5.240  -2.538  -4.656
   11   HG11  VAL   2          1HG1      VAL   2   5.690  -4.877  -3.861
   12   HG12  VAL   2          2HG1      VAL   2   3.958  -5.184  -4.003
   13   HG13  VAL   2          3HG1      VAL   2   4.899  -4.761  -5.433
   14   HG21  VAL   2          1HG2      VAL   2   3.057  -1.659  -4.717
   15   HG22  VAL   2          2HG2      VAL   2   2.971  -3.173  -5.617
   16   HG23  VAL   2          3HG2      VAL   2   2.368  -3.096  -3.961
   17    H    TYR   3           H        TYR   3   6.149  -1.038  -3.622
   18    HA   TYR   3           HA       TYR   3   8.665  -2.060  -2.919
   19    HB2  TYR   3          2HB       TYR   3   7.612   0.425  -4.075
   20    HB3  TYR   3          3HB       TYR   3   9.107   0.638  -3.170
   21    HD1  TYR   3           HD1      TYR   3   7.582  -1.384  -5.896
   22    HD2  TYR   3           HD2      TYR   3  11.162   0.108  -4.148
   23    HE1  TYR   3           HE1      TYR   3   8.861  -2.206  -7.829
   24    HE2  TYR   3           HE2      TYR   3  12.451  -0.710  -6.076
   25    HH   TYR   3           HH       TYR   3  12.261  -1.455  -8.236
   26    H    VAL   4           H        VAL   4   6.442   0.040  -1.222
   27    HA   VAL   4           HA       VAL   4   8.265   0.944   0.763
   28    HB   VAL   4           HB       VAL   4   5.249   0.781   0.802
   29   HG11  VAL   4          1HG1      VAL   4   7.145   2.147   2.708
   30   HG12  VAL   4          2HG1      VAL   4   5.398   2.393   2.675
   31   HG13  VAL   4          3HG1      VAL   4   6.059   0.807   3.073
   32   HG21  VAL   4          1HG2      VAL   4   5.742   3.377   0.642
   33   HG22  VAL   4          2HG2      VAL   4   7.226   2.802  -0.117
   34   HG23  VAL   4          3HG2      VAL   4   5.660   2.360  -0.796
   35    H    TYR   5           H        TYR   5   6.259  -1.891   0.411
   36    HA   TYR   5           HA       TYR   5   6.618  -2.716   3.161
   37    HB2  TYR   5          2HB       TYR   5   4.524  -3.221   1.950
   38    HB3  TYR   5          3HB       TYR   5   5.430  -4.222   0.821
   39    HD1  TYR   5           HD1      TYR   5   5.816  -6.483   1.287
   40    HD2  TYR   5           HD2      TYR   5   4.542  -3.898   4.417
   41    HE1  TYR   5           HE1      TYR   5   5.516  -8.428   2.762
   42    HE2  TYR   5           HE2      TYR   5   4.240  -5.836   5.902
   43    HH   TYR   5           HH       TYR   5   4.333  -9.069   4.745
   44    H    SER   6           H        SER   6   8.360  -2.944   0.271
   45    HA   SER   6           HA       SER   6   9.557  -5.478   0.526
   46    HB2  SER   6          2HB       SER   6   9.602  -3.750  -1.445
   47    HB3  SER   6          3HB       SER   6  11.051  -3.151  -0.638
   48    HG   SER   6           HG       SER   6  10.810  -5.903  -1.083
   49    H    ARG   7           H        ARG   7   9.966  -2.591   2.304
   50    HA   ARG   7           HA       ARG   7  12.619  -2.683   3.098
   51    HB2  ARG   7          2HB       ARG   7  12.004  -1.323   4.938
   52    HB3  ARG   7          3HB       ARG   7  10.890  -0.910   3.642
   53    HG2  ARG   7          2HG       ARG   7   9.326  -2.642   4.747
   54    HG3  ARG   7          3HG       ARG   7  10.377  -2.448   6.152
   55    HD2  ARG   7          2HD       ARG   7   9.865   0.147   5.335
   56    HD3  ARG   7          3HD       ARG   7   8.327  -0.682   5.099
   57    HE   ARG   7           HE       ARG   7   9.480  -1.254   7.646
   58   HH11  ARG   7          1HH1      ARG   7   7.648   1.105   5.858
   59   HH12  ARG   7          2HH1      ARG   7   6.880   1.766   7.263
   60   HH21  ARG   7          1HH2      ARG   7   8.474  -0.394   9.503
   61   HH22  ARG   7          2HH2      ARG   7   7.351   0.913   9.336
   62    H    VAL   8           H        VAL   8   9.929  -4.675   4.072
   63    HA   VAL   8           HA       VAL   8  11.123  -5.782   6.402
   64    HB   VAL   8           HB       VAL   8   8.920  -6.852   4.634
   65   HG11  VAL   8          1HG1      VAL   8   9.933  -8.690   5.822
   66   HG12  VAL   8          2HG1      VAL   8   9.865  -7.792   7.339
   67   HG13  VAL   8          3HG1      VAL   8   8.374  -8.312   6.554
   68   HG21  VAL   8          1HG2      VAL   8   8.081  -4.915   5.587
   69   HG22  VAL   8          2HG2      VAL   8   7.588  -6.149   6.747
   70   HG23  VAL   8          3HG2      VAL   8   8.990  -5.133   7.083
   71    H    LYS   9           H        LYS   9  10.339  -7.531   3.402
   72    HA   LYS   9           HA       LYS   9  13.024  -8.660   3.330
   73    HB2  LYS   9          2HB       LYS   9  12.291 -10.946   3.339
   74    HB3  LYS   9          3HB       LYS   9  11.650 -10.163   4.777
   75    HG2  LYS   9          2HG       LYS   9   9.628  -9.789   2.984
   76    HG3  LYS   9          3HG       LYS   9  10.256 -11.370   2.514
   77    HD2  LYS   9          2HD       LYS   9   9.731 -12.330   4.546
   78    HD3  LYS   9          3HD       LYS   9   9.768 -10.787   5.402
   79    HE2  LYS   9          2HE       LYS   9   7.724 -10.228   3.869
   80    HE3  LYS   9          3HE       LYS   9   7.604 -11.981   3.726
   81    HZ1  LYS   9          1HZ       LYS   9   6.543 -11.979   5.653
   82    HZ2  LYS   9          2HZ       LYS   9   6.799 -10.320   5.863
   83    HZ3  LYS   9          3HZ       LYS   9   7.949 -11.430   6.417
  Start of MODEL   11
    1    H1   THR   1           H        THR   1   3.052  -0.079  -0.018
    2    HA   THR   1           HA       THR   1   2.449  -2.678   0.209
    3    HB   THR   1           HB       THR   1   2.235  -1.361  -2.495
    4    HG1  THR   1           HG1      THR   1   0.420  -1.024  -0.329
    5   HG21  THR   1          1HG2      THR   1   1.346  -3.809  -1.510
    6   HG22  THR   1          2HG2      THR   1   0.800  -3.003  -2.981
    7   HG23  THR   1          3HG2      THR   1  -0.078  -2.770  -1.470
    8    H    VAL   2           H        VAL   2   4.286  -1.521  -2.627
    9    HA   VAL   2           HA       VAL   2   5.288  -4.225  -3.059
   10    HB   VAL   2           HB       VAL   2   6.105  -1.941  -4.794
   11   HG11  VAL   2          1HG1      VAL   2   5.284  -4.043  -6.357
   12   HG12  VAL   2          2HG1      VAL   2   6.942  -3.731  -5.842
   13   HG13  VAL   2          3HG1      VAL   2   5.929  -4.849  -4.928
   14   HG21  VAL   2          1HG2      VAL   2   3.822  -1.399  -4.612
   15   HG22  VAL   2          2HG2      VAL   2   3.958  -2.333  -6.102
   16   HG23  VAL   2          3HG2      VAL   2   3.333  -3.094  -4.638
   17    H    TYR   3           H        TYR   3   6.785  -0.985  -3.131
   18    HA   TYR   3           HA       TYR   3   9.310  -2.175  -2.273
   19    HB2  TYR   3          2HB       TYR   3   8.552   0.481  -3.461
   20    HB3  TYR   3          3HB       TYR   3  10.120   0.248  -2.695
   21    HD1  TYR   3           HD1      TYR   3   8.868   0.586  -5.748
   22    HD2  TYR   3           HD2      TYR   3  10.945  -2.387  -3.522
   23    HE1  TYR   3           HE1      TYR   3   9.744  -0.362  -7.842
   24    HE2  TYR   3           HE2      TYR   3  11.827  -3.342  -5.610
   25    HH   TYR   3           HH       TYR   3  11.123  -1.855  -8.753
   26    H    VAL   4           H        VAL   4   6.813   0.007  -1.171
   27    HA   VAL   4           HA       VAL   4   8.229   1.061   1.058
   28    HB   VAL   4           HB       VAL   4   5.260   0.865   0.539
   29   HG11  VAL   4          1HG1      VAL   4   6.763   2.377   2.671
   30   HG12  VAL   4          2HG1      VAL   4   5.054   2.600   2.294
   31   HG13  VAL   4          3HG1      VAL   4   5.627   1.051   2.915
   32   HG21  VAL   4          1HG2      VAL   4   5.468   3.254  -0.011
   33   HG22  VAL   4          2HG2      VAL   4   7.214   3.142   0.213
   34   HG23  VAL   4          3HG2      VAL   4   6.432   2.239  -1.084
   35    H    TYR   5           H        TYR   5   6.305  -1.806   0.528
   36    HA   TYR   5           HA       TYR   5   6.296  -2.457   3.371
   37    HB2  TYR   5          2HB       TYR   5   4.386  -2.857   1.561
   38    HB3  TYR   5          3HB       TYR   5   5.271  -4.359   1.317
   39    HD1  TYR   5           HD1      TYR   5   5.394  -6.033   3.093
   40    HD2  TYR   5           HD2      TYR   5   3.171  -2.443   3.609
   41    HE1  TYR   5           HE1      TYR   5   4.260  -7.023   5.038
   42    HE2  TYR   5           HE2      TYR   5   2.031  -3.422   5.556
   43    HH   TYR   5           HH       TYR   5   1.524  -6.014   6.280
   44    H    SER   6           H        SER   6   8.206  -2.989   0.631
   45    HA   SER   6           HA       SER   6   9.177  -5.597   1.242
   46    HB2  SER   6          2HB       SER   6   9.809  -3.465  -0.695
   47    HB3  SER   6          3HB       SER   6  11.176  -4.483  -0.242
   48    HG   SER   6           HG       SER   6  10.267  -6.156  -1.192
   49    H    ARG   7           H        ARG   7   9.790  -2.487   2.511
   50    HA   ARG   7           HA       ARG   7  12.437  -2.579   3.289
   51    HB2  ARG   7          2HB       ARG   7  11.911  -0.945   4.923
   52    HB3  ARG   7          3HB       ARG   7  10.786  -0.680   3.597
   53    HG2  ARG   7          2HG       ARG   7   9.150  -2.117   4.932
   54    HG3  ARG   7          3HG       ARG   7  10.255  -1.884   6.288
   55    HD2  ARG   7          2HD       ARG   7   9.406   0.516   4.761
   56    HD3  ARG   7          3HD       ARG   7   8.220  -0.244   5.821
   57    HE   ARG   7           HE       ARG   7  10.494   1.296   6.611
   58   HH11  ARG   7          1HH1      ARG   7   8.375  -1.298   7.561
   59   HH12  ARG   7          2HH1      ARG   7   8.645  -1.072   9.257
   60   HH21  ARG   7          1HH2      ARG   7  10.858   1.603   8.842
   61   HH22  ARG   7          2HH2      ARG   7  10.057   0.578   9.985
   62    H    VAL   8           H        VAL   8   9.697  -4.304   4.583
   63    HA   VAL   8           HA       VAL   8  10.904  -5.110   7.029
   64    HB   VAL   8           HB       VAL   8   8.616  -6.327   5.478
   65   HG11  VAL   8          1HG1      VAL   8   9.583  -8.018   6.899
   66   HG12  VAL   8          2HG1      VAL   8   9.592  -6.909   8.272
   67   HG13  VAL   8          3HG1      VAL   8   8.061  -7.471   7.601
   68   HG21  VAL   8          1HG2      VAL   8   7.875  -4.241   6.157
   69   HG22  VAL   8          2HG2      VAL   8   7.370  -5.270   7.497
   70   HG23  VAL   8          3HG2      VAL   8   8.819  -4.276   7.647
   71    H    LYS   9           H        LYS   9   9.974  -7.237   4.330
   72    HA   LYS   9           HA       LYS   9  11.663  -9.339   5.035
   73    HB2  LYS   9          2HB       LYS   9  10.459  -8.556   2.382
   74    HB3  LYS   9          3HB       LYS   9  11.381 -10.037   2.605
   75    HG2  LYS   9          2HG       LYS   9   9.786 -10.884   4.161
   76    HG3  LYS   9          3HG       LYS   9   8.933  -9.339   4.208
   77    HD2  LYS   9          2HD       LYS   9   7.589 -10.409   2.723
   78    HD3  LYS   9          3HD       LYS   9   8.797  -9.811   1.582
   79    HE2  LYS   9          2HE       LYS   9   9.899 -12.172   2.420
   80    HE3  LYS   9          3HE       LYS   9   8.177 -12.548   2.413
   81    HZ1  LYS   9          1HZ       LYS   9   9.704 -12.747   0.265
   82    HZ2  LYS   9          2HZ       LYS   9   9.210 -11.139   0.084
   83    HZ3  LYS   9          3HZ       LYS   9   8.056 -12.373   0.180
  Start of MODEL   12
    1    H1   THR   1           H        THR   1   3.315   1.846  -1.547
    2    HA   THR   1           HA       THR   1   1.962   0.038  -0.161
    3    HB   THR   1           HB       THR   1   1.994  -0.120  -3.178
    4    HG1  THR   1           HG1      THR   1   0.433   1.620  -1.551
    5   HG21  THR   1          1HG2      THR   1   0.272  -1.509  -2.929
    6   HG22  THR   1          2HG2      THR   1  -0.599  -0.274  -2.020
    7   HG23  THR   1          3HG2      THR   1   0.446  -1.416  -1.177
    8    H    VAL   2           H        VAL   2   3.690  -1.115  -3.060
    9    HA   VAL   2           HA       VAL   2   3.853  -3.773  -1.869
   10    HB   VAL   2           HB       VAL   2   4.972  -3.181  -4.569
   11   HG11  VAL   2          1HG1      VAL   2   5.093  -5.402  -4.496
   12   HG12  VAL   2          2HG1      VAL   2   4.111  -5.472  -3.032
   13   HG13  VAL   2          3HG1      VAL   2   3.334  -5.427  -4.615
   14   HG21  VAL   2          1HG2      VAL   2   2.626  -3.544  -5.480
   15   HG22  VAL   2          2HG2      VAL   2   2.050  -3.150  -3.860
   16   HG23  VAL   2          3HG2      VAL   2   2.969  -1.961  -4.783
   17    H    TYR   3           H        TYR   3   6.126  -1.735  -3.719
   18    HA   TYR   3           HA       TYR   3   8.437  -3.065  -2.858
   19    HB2  TYR   3          2HB       TYR   3   8.316  -1.563  -4.837
   20    HB3  TYR   3          3HB       TYR   3   8.206  -0.183  -3.750
   21    HD1  TYR   3           HD1      TYR   3  10.378  -3.197  -3.490
   22    HD2  TYR   3           HD2      TYR   3  10.178   1.005  -4.128
   23    HE1  TYR   3           HE1      TYR   3  12.833  -3.074  -3.408
   24    HE2  TYR   3           HE2      TYR   3  12.633   1.140  -4.049
   25    HH   TYR   3           HH       TYR   3  14.580  -1.441  -2.965
   26    H    VAL   4           H        VAL   4   6.588  -0.465  -1.435
   27    HA   VAL   4           HA       VAL   4   8.546   0.373   0.448
   28    HB   VAL   4           HB       VAL   4   5.540   0.669   0.485
   29   HG11  VAL   4          1HG1      VAL   4   7.638   1.947   2.234
   30   HG12  VAL   4          2HG1      VAL   4   5.946   2.443   2.163
   31   HG13  VAL   4          3HG1      VAL   4   6.371   0.832   2.743
   32   HG21  VAL   4          1HG2      VAL   4   7.687   2.050  -0.887
   33   HG22  VAL   4          2HG2      VAL   4   5.943   2.162  -1.123
   34   HG23  VAL   4          3HG2      VAL   4   6.730   3.143   0.113
   35    H    TYR   5           H        TYR   5   6.113  -2.136   0.417
   36    HA   TYR   5           HA       TYR   5   6.336  -2.686   3.239
   37    HB2  TYR   5          2HB       TYR   5   4.222  -3.079   2.046
   38    HB3  TYR   5          3HB       TYR   5   5.015  -4.280   1.031
   39    HD1  TYR   5           HD1      TYR   5   4.533  -6.460   1.574
   40    HD2  TYR   5           HD2      TYR   5   4.723  -3.580   4.699
   41    HE1  TYR   5           HE1      TYR   5   3.987  -8.211   3.212
   42    HE2  TYR   5           HE2      TYR   5   4.178  -5.323   6.347
   43    HH   TYR   5           HH       TYR   5   4.133  -8.682   5.521
   44    H    SER   6           H        SER   6   8.106  -3.470   0.467
   45    HA   SER   6           HA       SER   6   9.003  -6.071   1.225
   46    HB2  SER   6          2HB       SER   6  10.192  -4.056  -0.696
   47    HB3  SER   6          3HB       SER   6  10.725  -5.729  -0.534
   48    HG   SER   6           HG       SER   6   9.278  -5.768  -2.165
   49    H    ARG   7           H        ARG   7   9.797  -2.899   2.211
   50    HA   ARG   7           HA       ARG   7  12.493  -3.146   2.891
   51    HB2  ARG   7          2HB       ARG   7  12.198  -1.234   4.258
   52    HB3  ARG   7          3HB       ARG   7  11.072  -1.047   2.920
   53    HG2  ARG   7          2HG       ARG   7   9.660  -0.511   4.593
   54    HG3  ARG   7          3HG       ARG   7   9.455  -2.263   4.662
   55    HD2  ARG   7          2HD       ARG   7  10.735  -2.472   6.567
   56    HD3  ARG   7          3HD       ARG   7  11.627  -0.983   6.255
   57    HE   ARG   7           HE       ARG   7   9.176  -1.252   7.709
   58   HH11  ARG   7          1HH1      ARG   7  11.086   0.902   5.751
   59   HH12  ARG   7          2HH1      ARG   7  10.392   2.340   6.424
   60   HH21  ARG   7          1HH2      ARG   7   8.254   0.633   8.602
   61   HH22  ARG   7          2HH2      ARG   7   8.782   2.185   8.047
   62    H    VAL   8           H        VAL   8   9.617  -4.330   4.467
   63    HA   VAL   8           HA       VAL   8  10.787  -4.882   6.997
   64    HB   VAL   8           HB       VAL   8   8.354  -6.076   5.665
   65   HG11  VAL   8          1HG1      VAL   8   9.322  -6.313   8.511
   66   HG12  VAL   8          2HG1      VAL   8   7.727  -6.811   7.943
   67   HG13  VAL   8          3HG1      VAL   8   9.173  -7.616   7.333
   68   HG21  VAL   8          1HG2      VAL   8   8.798  -3.762   7.514
   69   HG22  VAL   8          2HG2      VAL   8   7.880  -3.824   6.010
   70   HG23  VAL   8          3HG2      VAL   8   7.244  -4.594   7.463
   71    H    LYS   9           H        LYS   9   9.585  -7.288   4.665
   72    HA   LYS   9           HA       LYS   9  11.249  -9.344   5.694
   73    HB2  LYS   9          2HB       LYS   9  10.384 -10.710   3.907
   74    HB3  LYS   9          3HB       LYS   9   9.070  -9.736   4.555
   75    HG2  LYS   9          2HG       LYS   9   9.438  -8.138   2.666
   76    HG3  LYS   9          3HG       LYS   9  10.572  -9.306   1.984
   77    HD2  LYS   9          2HD       LYS   9   7.889 -10.312   2.744
   78    HD3  LYS   9          3HD       LYS   9   7.981  -9.254   1.334
   79    HE2  LYS   9          2HE       LYS   9  10.031 -11.350   1.423
   80    HE3  LYS   9          3HE       LYS   9   8.378 -11.952   1.301
   81    HZ1  LYS   9          1HZ       LYS   9   8.686  -9.807  -0.478
   82    HZ2  LYS   9          2HZ       LYS   9   8.375 -11.431  -0.835
   83    HZ3  LYS   9          3HZ       LYS   9   9.971 -10.880  -0.724
  Start of MODEL   13
    1    H1   THR   1           H        THR   1   2.556   0.103   1.393
    2    HA   THR   1           HA       THR   1   1.539  -0.140  -1.355
    3    HB   THR   1           HB       THR   1   4.398   0.430  -1.046
    4    HG1  THR   1           HG1      THR   1   3.636   2.750  -0.540
    5   HG21  THR   1          1HG2      THR   1   2.590   2.326  -2.395
    6   HG22  THR   1          2HG2      THR   1   2.561   0.677  -3.021
    7   HG23  THR   1          3HG2      THR   1   4.078   1.574  -2.968
    8    H    VAL   2           H        VAL   2   3.575  -1.110  -2.747
    9    HA   VAL   2           HA       VAL   2   3.799  -3.849  -1.760
   10    HB   VAL   2           HB       VAL   2   4.829  -3.047  -4.440
   11   HG11  VAL   2          1HG1      VAL   2   4.922  -5.381  -3.473
   12   HG12  VAL   2          2HG1      VAL   2   3.166  -5.421  -3.636
   13   HG13  VAL   2          3HG1      VAL   2   4.182  -5.233  -5.066
   14   HG21  VAL   2          1HG2      VAL   2   1.931  -3.119  -3.649
   15   HG22  VAL   2          2HG2      VAL   2   2.802  -1.851  -4.512
   16   HG23  VAL   2          3HG2      VAL   2   2.462  -3.387  -5.309
   17    H    TYR   3           H        TYR   3   5.983  -1.642  -3.522
   18    HA   TYR   3           HA       TYR   3   8.341  -2.985  -2.832
   19    HB2  TYR   3          2HB       TYR   3   7.638  -0.715  -4.346
   20    HB3  TYR   3          3HB       TYR   3   8.824  -0.164  -3.168
   21    HD1  TYR   3           HD1      TYR   3   8.230  -2.515  -5.950
   22    HD2  TYR   3           HD2      TYR   3  11.117  -0.802  -3.336
   23    HE1  TYR   3           HE1      TYR   3  10.033  -3.439  -7.346
   24    HE2  TYR   3           HE2      TYR   3  12.928  -1.720  -4.725
   25    HH   TYR   3           HH       TYR   3  12.265  -3.893  -7.406
   26    H    VAL   4           H        VAL   4   6.494  -0.539  -1.155
   27    HA   VAL   4           HA       VAL   4   8.489   0.188   0.731
   28    HB   VAL   4           HB       VAL   4   5.480   0.403   0.888
   29   HG11  VAL   4          1HG1      VAL   4   7.626   1.519   2.683
   30   HG12  VAL   4          2HG1      VAL   4   5.959   2.099   2.668
   31   HG13  VAL   4          3HG1      VAL   4   6.310   0.431   3.124
   32   HG21  VAL   4          1HG2      VAL   4   7.482   2.590   0.381
   33   HG22  VAL   4          2HG2      VAL   4   6.725   1.671  -0.920
   34   HG23  VAL   4          3HG2      VAL   4   5.732   2.639   0.168
   35    H    TYR   5           H        TYR   5   6.152  -2.394   0.551
   36    HA   TYR   5           HA       TYR   5   6.389  -3.149   3.313
   37    HB2  TYR   5          2HB       TYR   5   4.841  -3.999   0.988
   38    HB3  TYR   5          3HB       TYR   5   5.380  -5.352   1.975
   39    HD1  TYR   5           HD1      TYR   5   3.671  -6.096   3.330
   40    HD2  TYR   5           HD2      TYR   5   4.164  -1.906   2.778
   41    HE1  TYR   5           HE1      TYR   5   1.835  -5.678   4.912
   42    HE2  TYR   5           HE2      TYR   5   2.330  -1.476   4.359
   43    HH   TYR   5           HH       TYR   5   1.183  -2.586   6.195
   44    H    SER   6           H        SER   6   8.277  -3.596   0.543
   45    HA   SER   6           HA       SER   6   9.331  -6.173   1.019
   46    HB2  SER   6          2HB       SER   6   9.555  -4.977  -1.140
   47    HB3  SER   6          3HB       SER   6  10.654  -3.831  -0.373
   48    HG   SER   6           HG       SER   6  12.187  -5.214  -0.696
   49    H    ARG   7           H        ARG   7   9.808  -3.175   2.584
   50    HA   ARG   7           HA       ARG   7  12.452  -3.536   3.526
   51    HB2  ARG   7          2HB       ARG   7  12.036  -1.707   4.972
   52    HB3  ARG   7          3HB       ARG   7  11.114  -1.382   3.511
   53    HG2  ARG   7          2HG       ARG   7   9.143  -2.452   4.758
   54    HG3  ARG   7          3HG       ARG   7  10.126  -2.224   6.206
   55    HD2  ARG   7          2HD       ARG   7  10.144   0.116   5.950
   56    HD3  ARG   7          3HD       ARG   7   9.563   0.018   4.288
   57    HE   ARG   7           HE       ARG   7   7.422  -0.091   5.083
   58   HH11  ARG   7          1HH1      ARG   7   9.635  -0.775   7.682
   59   HH12  ARG   7          2HH1      ARG   7   8.407  -0.772   8.903
   60   HH21  ARG   7          1HH2      ARG   7   5.795  -0.083   6.683
   61   HH22  ARG   7          2HH2      ARG   7   6.223  -0.379   8.334
   62    H    VAL   8           H        VAL   8   9.344  -4.692   4.604
   63    HA   VAL   8           HA       VAL   8  10.127  -5.460   7.224
   64    HB   VAL   8           HB       VAL   8   7.868  -6.460   5.486
   65   HG11  VAL   8          1HG1      VAL   8   8.392  -8.142   7.134
   66   HG12  VAL   8          2HG1      VAL   8   8.415  -6.928   8.414
   67   HG13  VAL   8          3HG1      VAL   8   6.903  -7.318   7.595
   68   HG21  VAL   8          1HG2      VAL   8   7.401  -4.231   5.919
   69   HG22  VAL   8          2HG2      VAL   8   6.575  -5.058   7.240
   70   HG23  VAL   8          3HG2      VAL   8   8.134  -4.282   7.522
   71    H    LYS   9           H        LYS   9   9.189  -7.655   4.582
   72    HA   LYS   9           HA       LYS   9   9.876  -9.763   4.058
   73    HB2  LYS   9          2HB       LYS   9  12.400  -8.256   4.582
   74    HB3  LYS   9          3HB       LYS   9  12.500  -9.994   4.328
   75    HG2  LYS   9          2HG       LYS   9  11.185  -8.083   2.410
   76    HG3  LYS   9          3HG       LYS   9  12.858  -8.633   2.281
   77    HD2  LYS   9          2HD       LYS   9  11.745 -11.011   2.435
   78    HD3  LYS   9          3HD       LYS   9  10.319 -10.141   1.862
   79    HE2  LYS   9          2HE       LYS   9  11.126 -10.399  -0.197
   80    HE3  LYS   9          3HE       LYS   9  12.373  -9.232   0.237
   81    HZ1  LYS   9          1HZ       LYS   9  12.686 -12.115   0.806
   82    HZ2  LYS   9          2HZ       LYS   9  13.882 -10.922   0.729
   83    HZ3  LYS   9          3HZ       LYS   9  13.128 -11.456  -0.688
  Start of MODEL   14
    1    H1   THR   1           H        THR   1   3.545   1.795  -0.979
    2    HA   THR   1           HA       THR   1   2.103  -0.124   0.462
    3    HB   THR   1           HB       THR   1   2.026   0.352  -2.524
    4    HG1  THR   1           HG1      THR   1   1.508   2.275  -1.606
    5   HG21  THR   1          1HG2      THR   1   0.863  -1.661  -2.070
    6   HG22  THR   1          2HG2      THR   1  -0.374  -0.410  -2.192
    7   HG23  THR   1          3HG2      THR   1   0.133  -0.996  -0.609
    8    H    VAL   2           H        VAL   2   3.637  -0.736  -2.696
    9    HA   VAL   2           HA       VAL   2   3.958  -3.540  -1.961
   10    HB   VAL   2           HB       VAL   2   4.834  -2.492  -4.611
   11   HG11  VAL   2          1HG1      VAL   2   3.142  -4.902  -4.188
   12   HG12  VAL   2          2HG1      VAL   2   4.446  -4.624  -5.344
   13   HG13  VAL   2          3HG1      VAL   2   4.821  -4.950  -3.651
   14   HG21  VAL   2          1HG2      VAL   2   2.795  -1.323  -4.465
   15   HG22  VAL   2          2HG2      VAL   2   2.427  -2.785  -5.380
   16   HG23  VAL   2          3HG2      VAL   2   1.982  -2.675  -3.677
   17    H    TYR   3           H        TYR   3   6.025  -1.159  -3.635
   18    HA   TYR   3           HA       TYR   3   8.428  -2.525  -3.196
   19    HB2  TYR   3          2HB       TYR   3   7.646  -0.205  -4.524
   20    HB3  TYR   3          3HB       TYR   3   8.781   0.359  -3.303
   21    HD1  TYR   3           HD1      TYR   3   8.516  -2.479  -5.732
   22    HD2  TYR   3           HD2      TYR   3  10.976   0.512  -3.970
   23    HE1  TYR   3           HE1      TYR   3  10.390  -3.191  -7.156
   24    HE2  TYR   3           HE2      TYR   3  12.858  -0.191  -5.390
   25    HH   TYR   3           HH       TYR   3  13.324  -1.366  -7.380
   26    H    VAL   4           H        VAL   4   6.638  -0.298  -1.196
   27    HA   VAL   4           HA       VAL   4   8.726   0.310   0.633
   28    HB   VAL   4           HB       VAL   4   5.727   0.425   0.978
   29   HG11  VAL   4          1HG1      VAL   4   6.218   1.906   2.900
   30   HG12  VAL   4          2HG1      VAL   4   6.758   0.245   3.151
   31   HG13  VAL   4          3HG1      VAL   4   7.927   1.501   2.739
   32   HG21  VAL   4          1HG2      VAL   4   6.423   1.942  -0.718
   33   HG22  VAL   4          2HG2      VAL   4   6.152   2.892   0.743
   34   HG23  VAL   4          3HG2      VAL   4   7.795   2.489   0.245
   35    H    TYR   5           H        TYR   5   6.417  -2.296   0.360
   36    HA   TYR   5           HA       TYR   5   6.688  -3.300   2.999
   37    HB2  TYR   5          2HB       TYR   5   5.405  -4.136   0.505
   38    HB3  TYR   5          3HB       TYR   5   6.008  -5.485   1.461
   39    HD1  TYR   5           HD1      TYR   5   4.576  -2.246   2.612
   40    HD2  TYR   5           HD2      TYR   5   4.095  -6.466   2.363
   41    HE1  TYR   5           HE1      TYR   5   2.592  -2.099   4.060
   42    HE2  TYR   5           HE2      TYR   5   2.109  -6.331   3.808
   43    HH   TYR   5           HH       TYR   5   1.044  -3.238   5.182
   44    H    SER   6           H        SER   6   8.774  -3.308   0.337
   45    HA   SER   6           HA       SER   6  10.094  -5.790   0.768
   46    HB2  SER   6          2HB       SER   6  10.261  -4.644  -1.378
   47    HB3  SER   6          3HB       SER   6  11.052  -3.268  -0.609
   48    HG   SER   6           HG       SER   6  12.163  -5.828  -0.324
   49    H    ARG   7           H        ARG   7  10.170  -2.777   2.376
   50    HA   ARG   7           HA       ARG   7  12.778  -2.649   3.335
   51    HB2  ARG   7          2HB       ARG   7  11.969  -1.173   5.003
   52    HB3  ARG   7          3HB       ARG   7  10.936  -0.927   3.601
   53    HG2  ARG   7          2HG       ARG   7   9.269  -2.453   4.650
   54    HG3  ARG   7          3HG       ARG   7  10.284  -2.479   6.094
   55    HD2  ARG   7          2HD       ARG   7  10.117   0.123   5.892
   56    HD3  ARG   7          3HD       ARG   7   8.683  -0.243   4.933
   57    HE   ARG   7           HE       ARG   7   8.687  -1.642   7.415
   58   HH11  ARG   7          1HH1      ARG   7   8.053   1.451   5.949
   59   HH12  ARG   7          2HH1      ARG   7   6.920   1.941   7.164
   60   HH21  ARG   7          1HH2      ARG   7   7.197  -1.008   9.022
   61   HH22  ARG   7          2HH2      ARG   7   6.435   0.542   8.912
   62    H    VAL   8           H        VAL   8  10.116  -4.687   4.292
   63    HA   VAL   8           HA       VAL   8  11.187  -5.532   6.786
   64    HB   VAL   8           HB       VAL   8   9.165  -6.853   4.974
   65   HG11  VAL   8          1HG1      VAL   8   8.547  -8.169   6.981
   66   HG12  VAL   8          2HG1      VAL   8  10.163  -8.539   6.376
   67   HG13  VAL   8          3HG1      VAL   8   9.965  -7.521   7.803
   68   HG21  VAL   8          1HG2      VAL   8   8.200  -4.868   5.707
   69   HG22  VAL   8          2HG2      VAL   8   7.643  -6.044   6.897
   70   HG23  VAL   8          3HG2      VAL   8   8.976  -4.959   7.288
   71    H    LYS   9           H        LYS   9  10.697  -7.564   3.905
   72    HA   LYS   9           HA       LYS   9  12.455  -9.578   4.615
   73    HB2  LYS   9          2HB       LYS   9  11.848  -8.653   1.801
   74    HB3  LYS   9          3HB       LYS   9  12.437 -10.242   2.271
   75    HG2  LYS   9          2HG       LYS   9   9.766  -9.056   2.999
   76    HG3  LYS   9          3HG       LYS   9  10.062 -10.302   1.784
   77    HD2  LYS   9          2HD       LYS   9  11.147 -11.603   3.751
   78    HD3  LYS   9          3HD       LYS   9  10.236 -10.484   4.769
   79    HE2  LYS   9          2HE       LYS   9   8.197 -11.157   3.398
   80    HE3  LYS   9          3HE       LYS   9   9.188 -12.475   2.775
   81    HZ1  LYS   9          1HZ       LYS   9   9.184 -13.544   4.762
   82    HZ2  LYS   9          2HZ       LYS   9   7.692 -12.760   4.901
   83    HZ3  LYS   9          3HZ       LYS   9   9.056 -12.125   5.675
  Start of MODEL   15
    1    H1   THR   1           H        THR   1   2.448   0.064   1.728
    2    HA   THR   1           HA       THR   1   1.494  -0.462  -0.847
    3    HB   THR   1           HB       THR   1   4.369   0.039  -0.779
    4    HG1  THR   1           HG1      THR   1   4.172   2.066   0.279
    5   HG21  THR   1          1HG2      THR   1   2.187   1.913  -1.652
    6   HG22  THR   1          2HG2      THR   1   2.639   0.506  -2.615
    7   HG23  THR   1          3HG2      THR   1   3.828   1.763  -2.277
    8    H    VAL   2           H        VAL   2   3.312  -1.324  -2.527
    9    HA   VAL   2           HA       VAL   2   3.613  -4.141  -1.830
   10    HB   VAL   2           HB       VAL   2   4.356  -3.092  -4.520
   11   HG11  VAL   2          1HG1      VAL   2   4.524  -5.507  -3.801
   12   HG12  VAL   2          2HG1      VAL   2   2.760  -5.526  -3.756
   13   HG13  VAL   2          3HG1      VAL   2   3.601  -5.206  -5.273
   14   HG21  VAL   2          1HG2      VAL   2   1.904  -3.337  -5.151
   15   HG22  VAL   2          2HG2      VAL   2   1.559  -3.228  -3.425
   16   HG23  VAL   2          3HG2      VAL   2   2.350  -1.887  -4.253
   17    H    TYR   3           H        TYR   3   5.624  -1.787  -3.606
   18    HA   TYR   3           HA       TYR   3   8.023  -3.208  -3.284
   19    HB2  TYR   3          2HB       TYR   3   7.871  -1.557  -5.012
   20    HB3  TYR   3          3HB       TYR   3   7.489  -0.290  -3.853
   21    HD1  TYR   3           HD1      TYR   3   9.190   1.074  -3.049
   22    HD2  TYR   3           HD2      TYR   3  10.194  -2.699  -4.741
   23    HE1  TYR   3           HE1      TYR   3  11.578   1.638  -2.875
   24    HE2  TYR   3           HE2      TYR   3  12.585  -2.146  -4.570
   25    HH   TYR   3           HH       TYR   3  13.955  -0.400  -2.891
   26    H    VAL   4           H        VAL   4   6.418  -0.841  -1.269
   27    HA   VAL   4           HA       VAL   4   8.619  -0.294   0.444
   28    HB   VAL   4           HB       VAL   4   5.651   0.009   0.913
   29   HG11  VAL   4          1HG1      VAL   4   6.767  -0.161   3.045
   30   HG12  VAL   4          2HG1      VAL   4   7.985   1.012   2.539
   31   HG13  VAL   4          3HG1      VAL   4   6.310   1.518   2.760
   32   HG21  VAL   4          1HG2      VAL   4   6.142   2.412   0.532
   33   HG22  VAL   4          2HG2      VAL   4   7.790   1.970   0.086
   34   HG23  VAL   4          3HG2      VAL   4   6.432   1.405  -0.887
   35    H    TYR   5           H        TYR   5   6.144  -2.759   0.372
   36    HA   TYR   5           HA       TYR   5   6.500  -3.693   3.030
   37    HB2  TYR   5          2HB       TYR   5   4.978  -4.471   0.673
   38    HB3  TYR   5          3HB       TYR   5   5.594  -5.866   1.552
   39    HD1  TYR   5           HD1      TYR   5   3.723  -6.763   2.614
   40    HD2  TYR   5           HD2      TYR   5   4.445  -2.578   2.871
   41    HE1  TYR   5           HE1      TYR   5   1.889  -6.552   4.240
   42    HE2  TYR   5           HE2      TYR   5   2.615  -2.356   4.498
   43    HH   TYR   5           HH       TYR   5   0.878  -5.188   5.709
   44    H    SER   6           H        SER   6   8.415  -3.930   0.252
   45    HA   SER   6           HA       SER   6   9.564  -6.475   0.543
   46    HB2  SER   6          2HB       SER   6   9.800  -4.904  -1.436
   47    HB3  SER   6          3HB       SER   6  11.001  -4.026  -0.491
   48    HG   SER   6           HG       SER   6  12.391  -5.605  -0.766
   49    H    ARG   7           H        ARG   7   9.876  -3.644   2.427
   50    HA   ARG   7           HA       ARG   7  12.473  -4.290   3.511
   51    HB2  ARG   7          2HB       ARG   7  12.259  -2.325   4.816
   52    HB3  ARG   7          3HB       ARG   7  11.545  -1.944   3.255
   53    HG2  ARG   7          2HG       ARG   7   9.323  -2.667   4.431
   54    HG3  ARG   7          3HG       ARG   7  10.233  -2.314   5.901
   55    HD2  ARG   7          2HD       ARG   7  10.400  -0.286   3.768
   56    HD3  ARG   7          3HD       ARG   7   8.816  -0.477   4.520
   57    HE   ARG   7           HE       ARG   7  10.887  -0.277   6.464
   58   HH11  ARG   7          1HH1      ARG   7   8.921   1.589   4.279
   59   HH12  ARG   7          2HH1      ARG   7   9.026   3.042   5.218
   60   HH21  ARG   7          1HH2      ARG   7  11.033   1.629   7.709
   61   HH22  ARG   7          2HH2      ARG   7  10.228   3.063   7.168
   62    H    VAL   8           H        VAL   8   9.125  -4.821   4.327
   63    HA   VAL   8           HA       VAL   8   9.522  -5.539   7.048
   64    HB   VAL   8           HB       VAL   8   7.284  -6.241   5.144
   65   HG11  VAL   8          1HG1      VAL   8   7.348  -7.880   6.912
   66   HG12  VAL   8          2HG1      VAL   8   7.478  -6.611   8.131
   67   HG13  VAL   8          3HG1      VAL   8   5.997  -6.781   7.188
   68   HG21  VAL   8          1HG2      VAL   8   7.193  -3.939   5.426
   69   HG22  VAL   8          2HG2      VAL   8   6.110  -4.526   6.689
   70   HG23  VAL   8          3HG2      VAL   8   7.749  -4.020   7.098
   71    H    LYS   9           H        LYS   9   8.444  -7.705   4.436
   72    HA   LYS   9           HA       LYS   9   8.824  -9.915   4.045
   73    HB2  LYS   9          2HB       LYS   9  11.511  -8.972   5.006
   74    HB3  LYS   9          3HB       LYS   9  11.249 -10.655   4.570
   75    HG2  LYS   9          2HG       LYS   9  10.725  -8.329   2.734
   76    HG3  LYS   9          3HG       LYS   9  12.216  -9.275   2.753
   77    HD2  LYS   9          2HD       LYS   9   9.779 -10.889   2.576
   78    HD3  LYS   9          3HD       LYS   9  10.025  -9.807   1.203
   79    HE2  LYS   9          2HE       LYS   9  12.061 -11.763   2.267
   80    HE3  LYS   9          3HE       LYS   9  11.035 -12.031   0.859
   81    HZ1  LYS   9          1HZ       LYS   9  12.054  -9.946  -0.071
   82    HZ2  LYS   9          2HZ       LYS   9  13.092 -11.276   0.047
   83    HZ3  LYS   9          3HZ       LYS   9  13.189 -10.025   1.181
  Start of MODEL   16
    1    H1   THR   1           H        THR   1   2.739  -0.630   1.679
    2    HA   THR   1           HA       THR   1   1.412  -1.190  -0.871
    3    HB   THR   1           HB       THR   1   4.152  -0.159  -0.999
    4    HG1  THR   1           HG1      THR   1   3.733   1.807  -0.071
    5   HG21  THR   1          1HG2      THR   1   2.644   1.644  -2.275
    6   HG22  THR   1          2HG2      THR   1   1.508   0.295  -2.262
    7   HG23  THR   1          3HG2      THR   1   3.098   0.103  -3.000
    8    H    VAL   2           H        VAL   2   3.401  -1.814  -2.543
    9    HA   VAL   2           HA       VAL   2   4.151  -4.490  -1.659
   10    HB   VAL   2           HB       VAL   2   4.785  -3.496  -4.398
   11   HG11  VAL   2          1HG1      VAL   2   4.461  -5.736  -5.027
   12   HG12  VAL   2          2HG1      VAL   2   5.293  -5.817  -3.473
   13   HG13  VAL   2          3HG1      VAL   2   3.554  -6.105  -3.561
   14   HG21  VAL   2          1HG2      VAL   2   2.424  -4.175  -5.054
   15   HG22  VAL   2          2HG2      VAL   2   2.019  -4.022  -3.344
   16   HG23  VAL   2          3HG2      VAL   2   2.604  -2.620  -4.240
   17    H    TYR   3           H        TYR   3   5.800  -1.948  -3.547
   18    HA   TYR   3           HA       TYR   3   8.387  -2.925  -3.138
   19    HB2  TYR   3          2HB       TYR   3   7.637  -1.209  -4.848
   20    HB3  TYR   3          3HB       TYR   3   7.687  -0.018  -3.554
   21    HD1  TYR   3           HD1      TYR   3   9.981  -2.794  -4.567
   22    HD2  TYR   3           HD2      TYR   3   9.510   1.367  -3.816
   23    HE1  TYR   3           HE1      TYR   3  12.381  -2.454  -4.982
   24    HE2  TYR   3           HE2      TYR   3  11.909   1.719  -4.230
   25    HH   TYR   3           HH       TYR   3  14.143  -0.662  -4.229
   26    H    VAL   4           H        VAL   4   6.387  -0.805  -1.199
   27    HA   VAL   4           HA       VAL   4   8.446   0.114   0.533
   28    HB   VAL   4           HB       VAL   4   5.457  -0.028   0.943
   29   HG11  VAL   4          1HG1      VAL   4   5.842   1.603   2.765
   30   HG12  VAL   4          2HG1      VAL   4   6.537   0.016   3.099
   31   HG13  VAL   4          3HG1      VAL   4   7.577   1.346   2.589
   32   HG21  VAL   4          1HG2      VAL   4   7.314   1.952  -0.253
   33   HG22  VAL   4          2HG2      VAL   4   5.657   1.540  -0.698
   34   HG23  VAL   4          3HG2      VAL   4   5.965   2.570   0.701
   35    H    TYR   5           H        TYR   5   6.348  -2.687   0.502
   36    HA   TYR   5           HA       TYR   5   6.869  -3.492   3.187
   37    HB2  TYR   5          2HB       TYR   5   5.388  -4.523   0.886
   38    HB3  TYR   5          3HB       TYR   5   6.147  -5.792   1.840
   39    HD1  TYR   5           HD1      TYR   5   4.385  -6.802   2.985
   40    HD2  TYR   5           HD2      TYR   5   4.682  -2.558   2.966
   41    HE1  TYR   5           HE1      TYR   5   2.552  -6.672   4.619
   42    HE2  TYR   5           HE2      TYR   5   2.850  -2.416   4.601
   43    HH   TYR   5           HH       TYR   5   0.823  -3.991   5.233
   44    H    SER   6           H        SER   6   8.695  -3.587   0.342
   45    HA   SER   6           HA       SER   6  10.141  -5.987   0.712
   46    HB2  SER   6          2HB       SER   6  10.070  -3.965  -1.203
   47    HB3  SER   6          3HB       SER   6  11.701  -3.870  -0.537
   48    HG   SER   6           HG       SER   6  11.135  -5.436  -2.366
   49    H    ARG   7           H        ARG   7  10.224  -2.984   2.337
   50    HA   ARG   7           HA       ARG   7  12.934  -2.997   3.182
   51    HB2  ARG   7          2HB       ARG   7  12.336  -1.232   4.644
   52    HB3  ARG   7          3HB       ARG   7  11.339  -1.025   3.210
   53    HG2  ARG   7          2HG       ARG   7   9.514  -2.247   4.456
   54    HG3  ARG   7          3HG       ARG   7  10.518  -2.081   5.898
   55    HD2  ARG   7          2HD       ARG   7  10.556   0.394   5.457
   56    HD3  ARG   7          3HD       ARG   7   9.344   0.117   4.207
   57    HE   ARG   7           HE       ARG   7   8.268  -1.047   6.408
   58   HH11  ARG   7          1HH1      ARG   7   9.558   2.116   5.733
   59   HH12  ARG   7          2HH1      ARG   7   8.522   2.922   6.863
   60   HH21  ARG   7          1HH2      ARG   7   6.899   0.004   7.899
   61   HH22  ARG   7          2HH2      ARG   7   7.011   1.720   8.096
   62    H    VAL   8           H        VAL   8  10.025  -4.528   4.344
   63    HA   VAL   8           HA       VAL   8  10.968  -5.190   6.940
   64    HB   VAL   8           HB       VAL   8   8.810  -6.471   5.259
   65   HG11  VAL   8          1HG1      VAL   8   9.584  -8.068   6.893
   66   HG12  VAL   8          2HG1      VAL   8   9.486  -6.857   8.173
   67   HG13  VAL   8          3HG1      VAL   8   8.015  -7.438   7.392
   68   HG21  VAL   8          1HG2      VAL   8   7.413  -5.238   7.081
   69   HG22  VAL   8          2HG2      VAL   8   8.864  -4.251   7.260
   70   HG23  VAL   8          3HG2      VAL   8   8.044  -4.337   5.702
   71    H    LYS   9           H        LYS   9  10.246  -7.488   4.319
   72    HA   LYS   9           HA       LYS   9  12.254  -9.306   5.363
   73    HB2  LYS   9          2HB       LYS   9  11.369 -10.900   3.742
   74    HB3  LYS   9          3HB       LYS   9  10.064 -10.180   4.675
   75    HG2  LYS   9          2HG       LYS   9   9.956  -8.513   2.657
   76    HG3  LYS   9          3HG       LYS   9  10.760  -9.831   1.803
   77    HD2  LYS   9          2HD       LYS   9   8.610 -10.900   3.349
   78    HD3  LYS   9          3HD       LYS   9   8.009  -9.545   2.390
   79    HE2  LYS   9          2HE       LYS   9   9.474 -10.774   0.522
   80    HE3  LYS   9          3HE       LYS   9   9.079 -12.169   1.526
   81    HZ1  LYS   9          1HZ       LYS   9   6.736 -11.617   1.301
   82    HZ2  LYS   9          2HZ       LYS   9   7.443 -11.850  -0.217
   83    HZ3  LYS   9          3HZ       LYS   9   7.118 -10.284   0.333
  Start of MODEL   17
    1    H1   THR   1           H        THR   1   0.351  -0.607  -0.053
    2    HA   THR   1           HA       THR   1   1.973  -0.644  -1.859
    3    HB   THR   1           HB       THR   1   2.538   1.154  -0.475
    4    HG1  THR   1           HG1      THR   1   4.353   0.449  -1.687
    5   HG21  THR   1          1HG2      THR   1   3.641   0.916   1.711
    6   HG22  THR   1          2HG2      THR   1   3.565  -0.838   1.550
    7   HG23  THR   1          3HG2      THR   1   2.078   0.101   1.676
    8    H    VAL   2           H        VAL   2   3.735  -1.616  -2.823
    9    HA   VAL   2           HA       VAL   2   4.493  -4.202  -1.693
   10    HB   VAL   2           HB       VAL   2   5.441  -3.314  -4.376
   11   HG11  VAL   2          1HG1      VAL   2   4.688  -5.877  -3.034
   12   HG12  VAL   2          2HG1      VAL   2   4.715  -5.771  -4.795
   13   HG13  VAL   2          3HG1      VAL   2   6.180  -5.446  -3.868
   14   HG21  VAL   2          1HG2      VAL   2   2.594  -3.981  -3.681
   15   HG22  VAL   2          2HG2      VAL   2   3.207  -2.587  -4.570
   16   HG23  VAL   2          3HG2      VAL   2   3.244  -4.188  -5.307
   17    H    TYR   3           H        TYR   3   6.217  -1.640  -3.485
   18    HA   TYR   3           HA       TYR   3   8.790  -2.365  -2.818
   19    HB2  TYR   3          2HB       TYR   3   7.494  -0.055  -3.942
   20    HB3  TYR   3          3HB       TYR   3   8.768   0.457  -2.841
   21    HD1  TYR   3           HD1      TYR   3   8.016  -0.760  -6.107
   22    HD2  TYR   3           HD2      TYR   3  11.098  -0.570  -3.179
   23    HE1  TYR   3           HE1      TYR   3   9.692  -1.208  -7.850
   24    HE2  TYR   3           HE2      TYR   3  12.783  -1.016  -4.915
   25    HH   TYR   3           HH       TYR   3  13.148  -1.455  -7.057
   26    H    VAL   4           H        VAL   4   6.821   0.105  -1.158
   27    HA   VAL   4           HA       VAL   4   8.599   0.620   0.929
   28    HB   VAL   4           HB       VAL   4   5.592   0.726   1.160
   29   HG11  VAL   4          1HG1      VAL   4   6.335   2.791   2.569
   30   HG12  VAL   4          2HG1      VAL   4   6.411   1.173   3.270
   31   HG13  VAL   4          3HG1      VAL   4   7.876   1.938   2.655
   32   HG21  VAL   4          1HG2      VAL   4   7.342   2.166  -0.611
   33   HG22  VAL   4          2HG2      VAL   4   5.584   2.225  -0.484
   34   HG23  VAL   4          3HG2      VAL   4   6.577   3.270   0.532
   35    H    TYR   5           H        TYR   5   6.513  -2.069   0.385
   36    HA   TYR   5           HA       TYR   5   6.617  -2.950   3.155
   37    HB2  TYR   5          2HB       TYR   5   4.532  -3.284   1.944
   38    HB3  TYR   5          3HB       TYR   5   5.370  -4.209   0.703
   39    HD1  TYR   5           HD1      TYR   5   4.866  -4.242   4.409
   40    HD2  TYR   5           HD2      TYR   5   5.276  -6.510   0.832
   41    HE1  TYR   5           HE1      TYR   5   4.454  -6.308   5.678
   42    HE2  TYR   5           HE2      TYR   5   4.863  -8.582   2.092
   43    HH   TYR   5           HH       TYR   5   3.981  -8.513   5.504
   44    H    SER   6           H        SER   6   8.456  -3.259   0.333
   45    HA   SER   6           HA       SER   6   9.438  -5.895   0.628
   46    HB2  SER   6          2HB       SER   6  10.828  -3.526  -0.645
   47    HB3  SER   6          3HB       SER   6  11.187  -5.229  -0.926
   48    HG   SER   6           HG       SER   6   8.567  -4.389  -1.353
   49    H    ARG   7           H        ARG   7  10.034  -3.008   2.353
   50    HA   ARG   7           HA       ARG   7  12.672  -3.684   3.267
   51    HB2  ARG   7          2HB       ARG   7  12.558  -1.723   4.591
   52    HB3  ARG   7          3HB       ARG   7  11.722  -1.340   3.092
   53    HG2  ARG   7          2HG       ARG   7   9.601  -2.070   4.435
   54    HG3  ARG   7          3HG       ARG   7  10.623  -1.724   5.832
   55    HD2  ARG   7          2HD       ARG   7  11.046   0.531   4.923
   56    HD3  ARG   7          3HD       ARG   7   9.955   0.174   3.584
   57    HE   ARG   7           HE       ARG   7   8.174   0.528   4.982
   58   HH11  ARG   7          1HH1      ARG   7  11.074   0.187   6.878
   59   HH12  ARG   7          2HH1      ARG   7  10.315   0.656   8.363
   60   HH21  ARG   7          1HH2      ARG   7   7.163   1.147   6.931
   61   HH22  ARG   7          2HH2      ARG   7   8.090   1.201   8.392
   62    H    VAL   8           H        VAL   8   9.401  -4.227   4.346
   63    HA   VAL   8           HA       VAL   8   9.817  -4.829   7.030
   64    HB   VAL   8           HB       VAL   8   7.863  -6.260   5.229
   65   HG11  VAL   8          1HG1      VAL   8   7.698  -7.332   7.251
   66   HG12  VAL   8          2HG1      VAL   8   8.153  -5.898   8.173
   67   HG13  VAL   8          3HG1      VAL   8   6.536  -6.026   7.481
   68   HG21  VAL   8          1HG2      VAL   8   7.421  -4.019   4.769
   69   HG22  VAL   8          2HG2      VAL   8   6.302  -4.396   6.078
   70   HG23  VAL   8          3HG2      VAL   8   7.787  -3.508   6.417
   71    H    LYS   9           H        LYS   9  10.424  -6.735   4.160
   72    HA   LYS   9           HA       LYS   9  10.972  -9.144   5.676
   73    HB2  LYS   9          2HB       LYS   9  10.835  -8.416   2.792
   74    HB3  LYS   9          3HB       LYS   9  11.830  -9.796   3.237
   75    HG2  LYS   9          2HG       LYS   9  10.058 -11.096   3.631
   76    HG3  LYS   9          3HG       LYS   9   9.181  -9.812   4.467
   77    HD2  LYS   9          2HD       LYS   9   8.100  -9.151   2.593
   78    HD3  LYS   9          3HD       LYS   9   9.488  -9.475   1.552
   79    HE2  LYS   9          2HE       LYS   9   8.542 -11.373   0.898
   80    HE3  LYS   9          3HE       LYS   9   8.578 -11.959   2.560
   81    HZ1  LYS   9          1HZ       LYS   9   6.368 -11.988   2.349
   82    HZ2  LYS   9          2HZ       LYS   9   6.363 -10.950   1.014
   83    HZ3  LYS   9          3HZ       LYS   9   6.450 -10.314   2.580
  Start of MODEL   18
    1    H1   THR   1           H        THR   1   2.699  -0.245  -3.668
    2    HA   THR   1           HA       THR   1   4.017   0.436  -1.200
    3    HB   THR   1           HB       THR   1   2.298  -1.777  -0.787
    4    HG1  THR   1           HG1      THR   1   0.369  -0.622  -1.756
    5   HG21  THR   1          1HG2      THR   1   2.638   0.085   0.759
    6   HG22  THR   1          2HG2      THR   1   0.925  -0.116   0.389
    7   HG23  THR   1          3HG2      THR   1   1.846   1.181  -0.372
    8    H    VAL   2           H        VAL   2   4.178  -2.122  -3.526
    9    HA   VAL   2           HA       VAL   2   5.103  -4.274  -2.096
   10    HB   VAL   2           HB       VAL   2   6.526  -4.793  -4.145
   11   HG11  VAL   2          1HG1      VAL   2   4.211  -4.652  -5.580
   12   HG12  VAL   2          2HG1      VAL   2   4.603  -5.918  -4.414
   13   HG13  VAL   2          3HG1      VAL   2   3.617  -4.540  -3.923
   14   HG21  VAL   2          1HG2      VAL   2   6.992  -2.604  -4.958
   15   HG22  VAL   2          2HG2      VAL   2   5.954  -3.389  -6.147
   16   HG23  VAL   2          3HG2      VAL   2   5.277  -2.200  -5.035
   17    H    TYR   3           H        TYR   3   7.019  -1.548  -3.334
   18    HA   TYR   3           HA       TYR   3   9.503  -2.473  -2.359
   19    HB2  TYR   3          2HB       TYR   3   8.768   0.420  -2.797
   20    HB3  TYR   3          3HB       TYR   3  10.360  -0.321  -2.918
   21    HD1  TYR   3           HD1      TYR   3  10.858  -1.849  -4.833
   22    HD2  TYR   3           HD2      TYR   3   7.283   0.450  -4.647
   23    HE1  TYR   3           HE1      TYR   3  10.522  -2.187  -7.246
   24    HE2  TYR   3           HE2      TYR   3   6.936   0.118  -7.059
   25    HH   TYR   3           HH       TYR   3   7.615  -1.527  -8.808
   26    H    VAL   4           H        VAL   4   6.920  -0.599  -0.927
   27    HA   VAL   4           HA       VAL   4   8.387   0.316   1.335
   28    HB   VAL   4           HB       VAL   4   5.412   0.012   0.913
   29   HG11  VAL   4          1HG1      VAL   4   6.927   1.367   3.140
   30   HG12  VAL   4          2HG1      VAL   4   5.195   1.541   2.850
   31   HG13  VAL   4          3HG1      VAL   4   5.865  -0.033   3.280
   32   HG21  VAL   4          1HG2      VAL   4   5.379   2.292   0.350
   33   HG22  VAL   4          2HG2      VAL   4   7.013   2.555   0.958
   34   HG23  VAL   4          3HG2      VAL   4   6.762   1.632  -0.524
   35    H    TYR   5           H        TYR   5   6.729  -2.628   0.546
   36    HA   TYR   5           HA       TYR   5   6.720  -3.547   3.308
   37    HB2  TYR   5          2HB       TYR   5   5.093  -4.071   1.128
   38    HB3  TYR   5          3HB       TYR   5   6.057  -5.536   1.277
   39    HD1  TYR   5           HD1      TYR   5   3.393  -3.542   2.710
   40    HD2  TYR   5           HD2      TYR   5   5.990  -6.843   3.393
   41    HE1  TYR   5           HE1      TYR   5   1.931  -4.308   4.534
   42    HE2  TYR   5           HE2      TYR   5   4.534  -7.619   5.217
   43    HH   TYR   5           HH       TYR   5   1.674  -5.766   6.199
   44    H    SER   6           H        SER   6   8.790  -3.582   0.634
   45    HA   SER   6           HA       SER   6  10.040  -6.082   0.886
   46    HB2  SER   6          2HB       SER   6  10.622  -3.523  -0.435
   47    HB3  SER   6          3HB       SER   6  12.061  -4.432   0.026
   48    HG   SER   6           HG       SER   6  11.675  -5.564  -1.693
   49    H    ARG   7           H        ARG   7  10.116  -3.323   2.897
   50    HA   ARG   7           HA       ARG   7  12.686  -3.826   4.080
   51    HB2  ARG   7          2HB       ARG   7  12.213  -2.011   5.527
   52    HB3  ARG   7          3HB       ARG   7  11.525  -1.575   3.969
   53    HG2  ARG   7          2HG       ARG   7   9.341  -2.587   4.947
   54    HG3  ARG   7          3HG       ARG   7  10.144  -2.341   6.499
   55    HD2  ARG   7          2HD       ARG   7  10.132  -0.091   4.558
   56    HD3  ARG   7          3HD       ARG   7   8.624  -0.475   5.387
   57    HE   ARG   7           HE       ARG   7  10.810  -0.282   7.203
   58   HH11  ARG   7          1HH1      ARG   7   8.547   1.601   5.345
   59   HH12  ARG   7          2HH1      ARG   7   8.607   2.966   6.411
   60   HH21  ARG   7          1HH2      ARG   7  10.897   1.507   8.614
   61   HH22  ARG   7          2HH2      ARG   7   9.945   2.911   8.270
   62    H    VAL   8           H        VAL   8   9.385  -4.768   4.691
   63    HA   VAL   8           HA       VAL   8   9.543  -5.566   7.352
   64    HB   VAL   8           HB       VAL   8   7.970  -7.004   5.215
   65   HG11  VAL   8          1HG1      VAL   8   7.842  -6.852   8.194
   66   HG12  VAL   8          2HG1      VAL   8   6.367  -7.131   7.268
   67   HG13  VAL   8          3HG1      VAL   8   7.719  -8.256   7.135
   68   HG21  VAL   8          1HG2      VAL   8   6.136  -5.390   5.936
   69   HG22  VAL   8          2HG2      VAL   8   7.425  -4.412   6.637
   70   HG23  VAL   8          3HG2      VAL   8   7.410  -4.740   4.904
   71    H    LYS   9           H        LYS   9  10.680  -7.138   4.442
   72    HA   LYS   9           HA       LYS   9  11.811  -9.287   6.110
   73    HB2  LYS   9          2HB       LYS   9  11.559 -10.822   4.218
   74    HB3  LYS   9          3HB       LYS   9  10.004 -10.175   4.722
   75    HG2  LYS   9          2HG       LYS   9  11.419  -8.731   2.563
   76    HG3  LYS   9          3HG       LYS   9  10.755 -10.319   2.173
   77    HD2  LYS   9          2HD       LYS   9   8.645  -9.295   3.444
   78    HD3  LYS   9          3HD       LYS   9   9.368  -7.791   2.867
   79    HE2  LYS   9          2HE       LYS   9   7.798  -8.536   1.225
   80    HE3  LYS   9          3HE       LYS   9   9.420  -8.778   0.578
   81    HZ1  LYS   9          1HZ       LYS   9   8.090 -10.986   1.990
   82    HZ2  LYS   9          2HZ       LYS   9   9.255 -11.044   0.765
   83    HZ3  LYS   9          3HZ       LYS   9   7.653 -10.649   0.390
  Start of MODEL   19
    1    H1   THR   1           H        THR   1   2.076   0.605  -3.249
    2    HA   THR   1           HA       THR   1   3.591   0.735  -0.889
    3    HB   THR   1           HB       THR   1   1.542  -1.258  -0.628
    4    HG1  THR   1           HG1      THR   1   0.501   1.145  -1.683
    5   HG21  THR   1          1HG2      THR   1   2.245   1.395   0.444
    6   HG22  THR   1          2HG2      THR   1   1.730  -0.068   1.284
    7   HG23  THR   1          3HG2      THR   1   0.534   0.979   0.521
    8    H    VAL   2           H        VAL   2   3.150  -1.816  -3.241
    9    HA   VAL   2           HA       VAL   2   3.921  -4.065  -1.868
   10    HB   VAL   2           HB       VAL   2   4.993  -4.811  -4.056
   11   HG11  VAL   2          1HG1      VAL   2   2.296  -3.863  -4.763
   12   HG12  VAL   2          2HG1      VAL   2   2.963  -5.497  -4.757
   13   HG13  VAL   2          3HG1      VAL   2   2.418  -4.760  -3.249
   14   HG21  VAL   2          1HG2      VAL   2   5.670  -2.724  -4.981
   15   HG22  VAL   2          2HG2      VAL   2   4.392  -3.360  -6.016
   16   HG23  VAL   2          3HG2      VAL   2   4.035  -2.072  -4.866
   17    H    TYR   3           H        TYR   3   6.046  -1.665  -3.404
   18    HA   TYR   3           HA       TYR   3   8.469  -2.937  -2.698
   19    HB2  TYR   3          2HB       TYR   3   7.890  -0.937  -4.370
   20    HB3  TYR   3          3HB       TYR   3   8.398   0.025  -2.987
   21    HD1  TYR   3           HD1      TYR   3   9.570  -2.993  -4.866
   22    HD2  TYR   3           HD2      TYR   3  10.612   0.649  -2.930
   23    HE1  TYR   3           HE1      TYR   3  11.921  -3.336  -5.500
   24    HE2  TYR   3           HE2      TYR   3  12.966   0.317  -3.559
   25    HH   TYR   3           HH       TYR   3  14.470  -1.440  -4.198
   26    H    VAL   4           H        VAL   4   6.375  -0.684  -1.037
   27    HA   VAL   4           HA       VAL   4   8.214   0.063   0.999
   28    HB   VAL   4           HB       VAL   4   5.194   0.133   0.964
   29   HG11  VAL   4          1HG1      VAL   4   5.948   0.080   3.254
   30   HG12  VAL   4          2HG1      VAL   4   7.140   1.340   2.928
   31   HG13  VAL   4          3HG1      VAL   4   5.418   1.714   2.855
   32   HG21  VAL   4          1HG2      VAL   4   7.329   2.143   0.313
   33   HG22  VAL   4          2HG2      VAL   4   5.982   1.605  -0.690
   34   HG23  VAL   4          3HG2      VAL   4   5.682   2.625   0.717
   35    H    TYR   5           H        TYR   5   6.066  -2.635   0.544
   36    HA   TYR   5           HA       TYR   5   6.248  -3.496   3.304
   37    HB2  TYR   5          2HB       TYR   5   4.742  -4.321   0.899
   38    HB3  TYR   5          3HB       TYR   5   5.162  -5.618   2.011
   39    HD1  TYR   5           HD1      TYR   5   3.541  -6.151   3.551
   40    HD2  TYR   5           HD2      TYR   5   3.865  -2.113   2.250
   41    HE1  TYR   5           HE1      TYR   5   1.638  -5.542   4.986
   42    HE2  TYR   5           HE2      TYR   5   1.964  -1.493   3.682
   43    HH   TYR   5           HH       TYR   5   0.319  -2.255   4.990
   44    H    SER   6           H        SER   6   8.094  -3.808   0.487
   45    HA   SER   6           HA       SER   6   9.190  -6.410   1.056
   46    HB2  SER   6          2HB       SER   6   9.998  -4.246  -0.896
   47    HB3  SER   6          3HB       SER   6  10.808  -5.808  -0.777
   48    HG   SER   6           HG       SER   6   9.316  -6.457  -2.099
   49    H    ARG   7           H        ARG   7   9.778  -3.208   2.086
   50    HA   ARG   7           HA       ARG   7  12.501  -3.154   2.567
   51    HB2  ARG   7          2HB       ARG   7  12.085  -1.428   4.136
   52    HB3  ARG   7          3HB       ARG   7  10.818  -1.292   2.924
   53    HG2  ARG   7          2HG       ARG   7   9.328  -2.586   4.467
   54    HG3  ARG   7          3HG       ARG   7  10.589  -2.439   5.693
   55    HD2  ARG   7          2HD       ARG   7  10.429  -0.040   5.643
   56    HD3  ARG   7          3HD       ARG   7   9.304  -0.104   4.288
   57    HE   ARG   7           HE       ARG   7   8.221  -1.565   6.417
   58   HH11  ARG   7          1HH1      ARG   7   8.995   1.720   5.564
   59   HH12  ARG   7          2HH1      ARG   7   7.751   2.409   6.553
   60   HH21  ARG   7          1HH2      ARG   7   6.579  -0.671   7.723
   61   HH22  ARG   7          2HH2      ARG   7   6.377   1.048   7.782
   62    H    VAL   8           H        VAL   8   9.982  -4.871   4.258
   63    HA   VAL   8           HA       VAL   8  11.241  -5.419   6.678
   64    HB   VAL   8           HB       VAL   8   9.478  -7.356   5.179
   65   HG11  VAL   8          1HG1      VAL   8   8.787  -7.615   7.748
   66   HG12  VAL   8          2HG1      VAL   8  10.083  -8.556   7.006
   67   HG13  VAL   8          3HG1      VAL   8  10.467  -7.121   7.957
   68   HG21  VAL   8          1HG2      VAL   8   8.890  -4.721   6.229
   69   HG22  VAL   8          2HG2      VAL   8   7.898  -5.783   5.230
   70   HG23  VAL   8          3HG2      VAL   8   7.897  -5.968   6.984
   71    H    LYS   9           H        LYS   9  11.688  -6.846   3.514
   72    HA   LYS   9           HA       LYS   9  14.014  -8.294   4.545
   73    HB2  LYS   9          2HB       LYS   9  13.429 -10.304   3.278
   74    HB3  LYS   9          3HB       LYS   9  12.194  -9.932   4.473
   75    HG2  LYS   9          2HG       LYS   9  11.723  -8.776   1.819
   76    HG3  LYS   9          3HG       LYS   9  11.700 -10.540   1.883
   77    HD2  LYS   9          2HD       LYS   9  10.202 -10.054   4.025
   78    HD3  LYS   9          3HD       LYS   9   9.874  -8.563   3.139
   79    HE2  LYS   9          2HE       LYS   9   8.216  -9.897   2.303
   80    HE3  LYS   9          3HE       LYS   9   9.496 -10.231   1.138
   81    HZ1  LYS   9          1HZ       LYS   9   8.147 -12.127   2.417
   82    HZ2  LYS   9          2HZ       LYS   9   9.442 -11.936   3.488
   83    HZ3  LYS   9          3HZ       LYS   9   9.735 -12.331   1.870
  Start of MODEL   20
    1    H1   THR   1           H        THR   1   3.093   1.593  -0.012
    2    HA   THR   1           HA       THR   1   2.067   0.203  -2.307
    3    HB   THR   1           HB       THR   1   4.894   0.724  -2.500
    4    HG1  THR   1           HG1      THR   1   3.321   2.992  -1.802
    5   HG21  THR   1          1HG2      THR   1   2.701   0.807  -4.125
    6   HG22  THR   1          2HG2      THR   1   4.282   1.474  -4.532
    7   HG23  THR   1          3HG2      THR   1   3.026   2.521  -3.872
    8    H    VAL   2           H        VAL   2   2.874  -1.680  -3.252
    9    HA   VAL   2           HA       VAL   2   3.428  -3.829  -1.637
   10    HB   VAL   2           HB       VAL   2   4.432  -4.902  -3.719
   11   HG11  VAL   2          1HG1      VAL   2   1.753  -3.654  -4.241
   12   HG12  VAL   2          2HG1      VAL   2   2.322  -5.271  -4.660
   13   HG13  VAL   2          3HG1      VAL   2   1.981  -4.863  -2.978
   14   HG21  VAL   2          1HG2      VAL   2   5.303  -2.998  -4.853
   15   HG22  VAL   2          2HG2      VAL   2   3.974  -3.622  -5.830
   16   HG23  VAL   2          3HG2      VAL   2   3.735  -2.190  -4.829
   17    H    TYR   3           H        TYR   3   5.772  -1.815  -3.393
   18    HA   TYR   3           HA       TYR   3   8.074  -3.211  -2.585
   19    HB2  TYR   3          2HB       TYR   3   7.864  -1.471  -4.437
   20    HB3  TYR   3          3HB       TYR   3   7.975  -0.253  -3.170
   21    HD1  TYR   3           HD1      TYR   3   9.790  -3.062  -4.768
   22    HD2  TYR   3           HD2      TYR   3  10.064   0.365  -2.261
   23    HE1  TYR   3           HE1      TYR   3  12.244  -3.193  -4.868
   24    HE2  TYR   3           HE2      TYR   3  12.519   0.244  -2.354
   25    HH   TYR   3           HH       TYR   3  14.274  -1.163  -2.875
   26    H    VAL   4           H        VAL   4   6.192  -0.689  -1.051
   27    HA   VAL   4           HA       VAL   4   8.088  -0.015   0.955
   28    HB   VAL   4           HB       VAL   4   5.088   0.329   0.902
   29   HG11  VAL   4          1HG1      VAL   4   7.138   1.445   2.811
   30   HG12  VAL   4          2HG1      VAL   4   5.460   1.981   2.710
   31   HG13  VAL   4          3HG1      VAL   4   5.831   0.326   3.195
   32   HG21  VAL   4          1HG2      VAL   4   7.294   2.329   0.419
   33   HG22  VAL   4          2HG2      VAL   4   6.355   1.538  -0.847
   34   HG23  VAL   4          3HG2      VAL   4   5.559   2.619   0.296
   35    H    TYR   5           H        TYR   5   5.643  -2.487   0.655
   36    HA   TYR   5           HA       TYR   5   5.737  -3.225   3.442
   37    HB2  TYR   5          2HB       TYR   5   3.807  -3.519   1.637
   38    HB3  TYR   5          3HB       TYR   5   4.614  -5.061   1.378
   39    HD1  TYR   5           HD1      TYR   5   4.389  -6.839   2.936
   40    HD2  TYR   5           HD2      TYR   5   2.887  -2.976   3.896
   41    HE1  TYR   5           HE1      TYR   5   3.211  -7.786   4.876
   42    HE2  TYR   5           HE2      TYR   5   1.706  -3.912   5.839
   43    HH   TYR   5           HH       TYR   5   2.100  -6.072   7.368
   44    H    SER   6           H        SER   6   7.616  -3.843   0.699
   45    HA   SER   6           HA       SER   6   8.489  -6.485   1.442
   46    HB2  SER   6          2HB       SER   6   8.609  -6.113  -0.868
   47    HB3  SER   6          3HB       SER   6   9.309  -4.506  -0.669
   48    HG   SER   6           HG       SER   6  11.164  -5.448  -0.876
   49    H    ARG   7           H        ARG   7   9.306  -3.282   2.303
   50    HA   ARG   7           HA       ARG   7  12.012  -3.402   2.851
   51    HB2  ARG   7          2HB       ARG   7  11.692  -1.574   4.322
   52    HB3  ARG   7          3HB       ARG   7  10.462  -1.409   3.077
   53    HG2  ARG   7          2HG       ARG   7   8.890  -2.585   4.688
   54    HG3  ARG   7          3HG       ARG   7  10.126  -2.311   5.917
   55    HD2  ARG   7          2HD       ARG   7   9.543   0.079   4.372
   56    HD3  ARG   7          3HD       ARG   7   8.116  -0.559   5.187
   57    HE   ARG   7           HE       ARG   7  10.173  -0.535   7.048
   58   HH11  ARG   7          1HH1      ARG   7   8.374   1.758   5.145
   59   HH12  ARG   7          2HH1      ARG   7   8.535   3.041   6.299
   60   HH21  ARG   7          1HH2      ARG   7  10.393   1.145   8.575
   61   HH22  ARG   7          2HH2      ARG   7   9.685   2.691   8.249
   62    H    VAL   8           H        VAL   8   9.342  -4.846   4.567
   63    HA   VAL   8           HA       VAL   8  10.511  -5.359   7.039
   64    HB   VAL   8           HB       VAL   8   8.643  -7.240   5.596
   65   HG11  VAL   8          1HG1      VAL   8   9.252  -8.349   7.514
   66   HG12  VAL   8          2HG1      VAL   8   9.490  -6.859   8.430
   67   HG13  VAL   8          3HG1      VAL   8   7.858  -7.434   8.087
   68   HG21  VAL   8          1HG2      VAL   8   7.128  -5.659   7.290
   69   HG22  VAL   8          2HG2      VAL   8   8.225  -4.519   6.511
   70   HG23  VAL   8          3HG2      VAL   8   7.185  -5.553   5.531
   71    H    LYS   9           H        LYS   9  10.927  -6.963   3.959
   72    HA   LYS   9           HA       LYS   9  12.941  -8.716   5.206
   73    HB2  LYS   9          2HB       LYS   9  12.396 -10.418   3.496
   74    HB3  LYS   9          3HB       LYS   9  11.040 -10.073   4.562
   75    HG2  LYS   9          2HG       LYS   9   9.873  -9.944   2.659
   76    HG3  LYS   9          3HG       LYS   9  10.567  -8.325   2.546
   77    HD2  LYS   9          2HD       LYS   9  11.263  -9.026   0.523
   78    HD3  LYS   9          3HD       LYS   9  12.548  -9.813   1.443
   79    HE2  LYS   9          2HE       LYS   9  11.864 -11.703   0.466
   80    HE3  LYS   9          3HE       LYS   9  10.500 -11.636   1.581
   81    HZ1  LYS   9          1HZ       LYS   9   9.099 -10.852  -0.035
   82    HZ2  LYS   9          2HZ       LYS   9  10.097 -11.857  -0.959
   83    HZ3  LYS   9          3HZ       LYS   9  10.342 -10.183  -0.968