*HEADER    ANTIMICROBIAL PROTEIN                   12-JUN-14   2MQ5              
*TITLE     CYSTEINE DELETED PROTEGRIN-1 (CDP-1): ANTI-BACTERIAL ACTIVITY, OUTER- 
*TITLE    2 MEMBRANE DISRUPTION AND SELECTIVITY                                  
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: LR10 PEPTIDE FROM CYSTEINE DELETED PROTEGRIN-1;            
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES                                                       
*KEYWDS    RANDOM COIL, ANTIMICROBIAL PROTEIN                                    
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    H.MOHANRAM, S.BHATTACHARJYA                                           
*REVDAT   1   30-JUL-14 2MQ5    0                                                


1 LEU HA 2 TYR H  2.8 2.0
1 LEU QB 2 TYR H  3.0 2.0
1 LEU QG 2 TYR H  3.2 2.0
1 LEU QQD 2 TYR H  3.5 2.0
2 TYR HA 2 TYR H  3.0 2.0
2 TYR QB 2 TYR H  3.2 2.0
2 TYR QB 2 TYR QD 3.5 2.0
2 TYR QB 2 TYR QE 3.8 2.0
2 TYR QB 3 ARG H  3.1 2.0
3 ARG HA 3 ARG H  2.8 2.0
3 ARG QB 3 ARG H  3.1 2.0
3 ARG QG 3 ARG H  3.7 2.0
3 ARG HA 4 ARG H  3.1 2.0
3 ARG QD 3 ARG H  3.3 2.0
4 ARG HA 4 ARG H  2.8 2.0
4 ARG QB 4 ARG H  3.1 2.0
4 ARG QG 4 ARG H  3.3 2.0
4 ARG QD 4 ARG H  3.3 2.0
4 ARG HA 5 ARG H  3.2 2.0
4 ARG HA 6 PHE H  3.3 2.0
5 ARG HA 5 ARG H  2.8 2.0
5 ARG QB 5 ARG H  3.1 2.0
5 ARG QG 5 ARG H  3.3 2.0
5 ARG QD 5 ARG H  3.3 2.0
5 ARG HA 6 PHE H  3.2 2.0
6 PHE HA 6 PHE H  2.8 2.0
6 PHE QB2 6 PHE H  3.1 2.0
6 PHE QB3 6 PHE H  3.1 2.0
6 PHE QB2 6 PHE QD 3.3 2.0
6 PHE QB3 6 PHE QD 3.4 2.0
6 PHE QB2 6 PHE QE 4.3 2.0
6 PHE QB3 6 PHE QE 4.3 2.0
6 PHE HA 7 VAL H  3.2 2.0
6 PHE HA 8 VAL H  3.4 2.0
6 PHE QB2 7 VAL H  3.5 2.0
6 PHE QB3 7 VAL H  3.1 2.0
6 PHE QB2 8 VAL H  3.4 2.0
6 PHE QB3 8 VAL H  3.9 2.0
7 VAL HA 7 VAL H  3.0 2.0
7 VAL HB 7 VAL H  3.3 2.0
7 VAL HG21 7 VAL H  3.3 2.0
7 VAL HG11 7 VAL H  3.6 2.0
7 VAL HA 8 VAL H  3.1 2.0
7 VAL HB 8 VAL H  4.2 2.0
7 VAL HA 9 GLY H  3.3 2.0
8 VAL HA 8 VAL H  3.0 2.0
8 VAL HB 8 VAL H  3.1 2.0
8 VAL HG21 8 VAL H  3.3 2.0
8 VAL HG11 8 VAL H  3.5 2.0
8 VAL HA 9 GLY H  3.2 2.0
9 GLY HA 9 GLY H  2.8 2.0
9 GLY HA2 9 GLY H  2.8 2.0
9 GLY HA2 10 ARG H 3.0 2.0
10 ARG HA 10 ARG H 2.8 2.0
10 ARG QB 10 ARG H 3.1 2.0
10 ARG QG 10 ARG H 3.3 2.0
10 ARG QD 10 ARG H 3.3 2.0
2 TYR H  3 ARG H  3.0 2.0
3 ARG H  4 ARG H  3.0 2.0
4 ARG H  5 ARG H  3.0 2.0
5 ARG H  6 PHE H  3.0 2.0
6 PHE H  7 VAL H  3.0 2.0
7 VAL H  8 VAL H  3.0 2.0
8 VAL H  9 GLY H  3.0 2.0
9 GLY H  10 ARG H 3.0 2.0
10 ARG QD 9 GLY H  3.2 2.0
2 TYR QB 4 ARG H  3.3 2.0
10 ARG QG 9 GLY H  3.1 2.0
7 VAL HB 9 GLY H  3.2 2.0
4 ARG QB 3 ARG H  3.1 2.0
1 LEU QQD 3 ARG H  3.1 2.0
7 VAL HG21 9 GLY H  4.0 2.0
8 VAL HG21 9 GLY H  3.3 2.0
7 VAL HG11 9 GLY H  4.1 2.0
8 VAL HG11 9 GLY H  4.0 2.0
7 VAL HG21 6 PHE QD 3.9 2.0
8 VAL HG21 6 PHE QE 3.3 2.0
7 VAL HG11 6 PHE QD 3.9 2.0
8 VAL HG11 6 PHE QE 3.3 2.0
5 ARG QG 6 PHE QD 4.1 2.0
4 ARG QB 6 PHE QD 4.3 2.0
7 VAL HB 6 PHE QD 4.3 2.0
7 VAL HB 6 PHE QE 4.5 2.0
8 VAL HB 6 PHE QD 3.9 2.0
8 VAL HB 6 PHE QE 4.3 2.0
1 LEU QQD 2 TYR QE 4.2 2.0
5 ARG QG 2 TYR QE 4.5 2.0
4 ARG QB 2 TYR QE 4.2 2.0

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   LEU   1           H        LEU   1   1.807   0.000   0.855
    2    HA   LEU   1           HA       LEU   1   1.728   0.809  -1.857
    3    HB2  LEU   1           2HB      LEU   1   3.650   0.927  -0.131
    4    HB3  LEU   1           3HB      LEU   1   4.004  -0.720  -0.651
    5    HG   LEU   1           HG       LEU   1   3.752   1.192  -2.855
    6   HD11  LEU   1          1HD1      LEU   1   6.276   1.459  -1.312
    7   HD12  LEU   1          2HD1      LEU   1   4.875   2.395  -0.791
    8   HD13  LEU   1          3HD1      LEU   1   5.504   2.586  -2.427
    9   HD21  LEU   1          3HD2      LEU   1   4.953  -1.286  -2.307
   10   HD22  LEU   1          1HD2      LEU   1   6.271  -0.156  -2.618
   11   HD23  LEU   1          2HD2      LEU   1   4.996  -0.374  -3.817
   12    H    TYR   2           H        TYR   2   2.836  -0.560  -3.598
   13    HA   TYR   2           HA       TYR   2   1.827  -3.325  -3.459
   14    HB2  TYR   2           2HB      TYR   2   1.859  -2.679  -6.154
   15    HB3  TYR   2           3HB      TYR   2   0.434  -2.758  -5.123
   16    HD1  TYR   2           HD2      TYR   2   3.192  -0.313  -5.790
   17    HD2  TYR   2           HD1      TYR   2  -0.985  -0.957  -5.295
   18    HE1  TYR   2           HE2      TYR   2   2.782   2.079  -6.184
   19    HE2  TYR   2           HE1      TYR   2  -1.406   1.433  -5.690
   20    HH   TYR   2           HH       TYR   2   0.346   3.693  -5.340
   21    H    ARG   3           H        ARG   3   3.460  -2.008  -6.232
   22    HA   ARG   3           HA       ARG   3   6.110  -2.640  -5.591
   23    HB2  ARG   3           2HB      ARG   3   6.473  -4.782  -6.433
   24    HB3  ARG   3           3HB      ARG   3   4.953  -4.953  -5.567
   25    HG2  ARG   3           2HG      ARG   3   5.271  -4.603  -8.540
   26    HG3  ARG   3           3HG      ARG   3   4.868  -6.101  -7.699
   27    HD2  ARG   3           2HD      ARG   3   3.212  -3.581  -7.776
   28    HD3  ARG   3           3HD      ARG   3   2.868  -5.086  -8.628
   29    HE   ARG   3           HE       ARG   3   3.090  -5.441  -5.797
   30   HH11  ARG   3          1HH1      ARG   3   0.951  -4.484  -8.372
   31   HH12  ARG   3          2HH1      ARG   3  -0.491  -4.884  -7.498
   32   HH21  ARG   3          1HH2      ARG   3   1.199  -5.971  -4.637
   33   HH22  ARG   3          2HH2      ARG   3  -0.348  -5.729  -5.374
   34    H    ARG   4           H        ARG   4   4.093  -1.006  -7.265
   35    HA   ARG   4           HA       ARG   4   5.698  -0.994  -9.737
   36    HB2  ARG   4           2HB      ARG   4   2.747  -0.597  -9.328
   37    HB3  ARG   4           3HB      ARG   4   3.560   0.059 -10.742
   38    HG2  ARG   4           2HG      ARG   4   3.554  -1.912 -11.754
   39    HG3  ARG   4           3HG      ARG   4   4.256  -2.709 -10.344
   40    HD2  ARG   4           2HD      ARG   4   2.012  -2.812  -9.324
   41    HD3  ARG   4           3HD      ARG   4   1.338  -2.086 -10.783
   42    HE   ARG   4           HE       ARG   4   2.171  -4.817 -10.426
   43   HH11  ARG   4          1HH1      ARG   4   1.573  -2.274 -12.727
   44   HH12  ARG   4          2HH1      ARG   4   1.295  -3.358 -14.050
   45   HH21  ARG   4          1HH2      ARG   4   1.806  -6.254 -12.159
   46   HH22  ARG   4          2HH2      ARG   4   1.426  -5.622 -13.725
   47    H    ARG   5           H        ARG   5   5.223   0.614  -6.963
   48    HA   ARG   5           HA       ARG   5   4.669   3.227  -7.390
   49    HB2  ARG   5           2HB      ARG   5   6.153   3.787  -5.572
   50    HB3  ARG   5           3HB      ARG   5   5.382   2.246  -5.222
   51    HG2  ARG   5           2HG      ARG   5   7.669   1.462  -6.491
   52    HG3  ARG   5           3HG      ARG   5   8.200   2.893  -5.605
   53    HD2  ARG   5           2HD      ARG   5   7.019   1.861  -3.588
   54    HD3  ARG   5           3HD      ARG   5   6.969   0.373  -4.532
   55    HE   ARG   5           HE       ARG   5   9.196   0.083  -4.113
   56   HH11  ARG   5          1HH1      ARG   5   8.347   3.396  -3.462
   57   HH12  ARG   5          2HH1      ARG   5   9.893   3.796  -2.789
   58   HH21  ARG   5          1HH2      ARG   5  11.235   0.598  -3.229
   59   HH22  ARG   5          2HH2      ARG   5  11.535   2.204  -2.658
   60    H    PHE   6           H        PHE   6   7.559   1.523  -8.413
   61    HA   PHE   6           HA       PHE   6   9.171   3.695  -9.096
   62    HB2  PHE   6           2HB      PHE   6  10.570   2.059  -9.707
   63    HB3  PHE   6           3HB      PHE   6   9.286   0.903  -9.370
   64    HD1  PHE   6           HD2      PHE   6   7.548   0.589 -11.319
   65    HD2  PHE   6           HD1      PHE   6  11.496   2.102 -11.807
   66    HE1  PHE   6           HE2      PHE   6   7.491  -0.042 -13.696
   67    HE2  PHE   6           HE1      PHE   6  11.446   1.474 -14.186
   68    HZ   PHE   6           HZ       PHE   6   9.442   0.400 -15.133
   69    H    VAL   7           H        VAL   7   6.790   1.932 -11.055
   70    HA   VAL   7           HA       VAL   7   6.409   2.406 -13.383
   71    HB   VAL   7           HB       VAL   7   4.629   4.315 -13.195
   72   HG11  VAL   7          1HG1      VAL   7   4.353   1.760 -13.281
   73   HG12  VAL   7          2HG1      VAL   7   4.086   1.875 -11.540
   74   HG13  VAL   7          3HG1      VAL   7   3.015   2.723 -12.656
   75   HG21  VAL   7          3HG2      VAL   7   4.340   3.673 -10.367
   76   HG22  VAL   7          1HG2      VAL   7   5.793   4.607 -10.722
   77   HG23  VAL   7          2HG2      VAL   7   4.210   5.225 -11.195
   78    H    VAL   8           H        VAL   8   8.901   3.535 -12.955
   79    HA   VAL   8           HA       VAL   8   9.087   6.299 -13.340
   80    HB   VAL   8           HB       VAL   8  11.346   5.972 -13.968
   81   HG11  VAL   8          1HG1      VAL   8  10.331   3.960 -11.998
   82   HG12  VAL   8          2HG1      VAL   8  12.054   4.068 -12.366
   83   HG13  VAL   8          3HG1      VAL   8  11.201   5.466 -11.708
   84   HG21  VAL   8          3HG2      VAL   8  11.972   3.398 -14.381
   85   HG22  VAL   8          1HG2      VAL   8  10.336   3.409 -15.038
   86   HG23  VAL   8          2HG2      VAL   8  11.553   4.508 -15.686
   87    H    GLY   9           H        GLY   9   7.263   4.559 -15.176
   88    HA2  GLY   9           2HA      GLY   9   8.275   5.364 -17.795
   89    HA3  GLY   9           3HA      GLY   9   6.878   4.342 -17.489
   90    H    ARG  10           H        ARG  10   7.477   7.465 -15.982
   91    HA   ARG  10           HA       ARG  10   4.983   8.436 -17.175
   92    HB2  ARG  10           2HB      ARG  10   6.461   9.891 -15.016
   93    HB3  ARG  10           3HB      ARG  10   4.735   9.848 -15.348
   94    HG2  ARG  10           2HG      ARG  10   6.334   7.547 -14.246
   95    HG3  ARG  10           3HG      ARG  10   5.354   8.657 -13.286
   96    HD2  ARG  10           2HD      ARG  10   3.710   7.735 -15.374
   97    HD3  ARG  10           3HD      ARG  10   4.554   6.322 -14.743
   98    HE   ARG  10           HE       ARG  10   3.585   7.797 -12.578
   99   HH11  ARG  10          1HH1      ARG  10   2.376   5.929 -15.255
  100   HH12  ARG  10          2HH1      ARG  10   0.930   5.445 -14.433
  101   HH21  ARG  10          1HH2      ARG  10   1.685   7.167 -11.485
  102   HH22  ARG  10          2HH2      ARG  10   0.537   6.150 -12.289
  Start of MODEL    2
    1    H1   LEU   1           H        LEU   1   1.237  -0.416   0.599
    2    HA   LEU   1           HA       LEU   1   1.318   0.850  -2.059
    3    HB2  LEU   1           2HB      LEU   1   3.170   1.257  -0.302
    4    HB3  LEU   1           3HB      LEU   1   3.691  -0.378  -0.704
    5    HG   LEU   1           HG       LEU   1   3.328   1.359  -3.033
    6   HD11  LEU   1          1HD1      LEU   1   5.758   1.956  -1.425
    7   HD12  LEU   1          2HD1      LEU   1   4.260   2.805  -1.047
    8   HD13  LEU   1          3HD1      LEU   1   4.955   2.922  -2.663
    9   HD21  LEU   1          3HD2      LEU   1   5.952   0.272  -2.653
   10   HD22  LEU   1          1HD2      LEU   1   4.735  -0.143  -3.861
   11   HD23  LEU   1          2HD2      LEU   1   4.737  -0.956  -2.296
   12    H    TYR   2           H        TYR   2   2.600  -0.511  -3.683
   13    HA   TYR   2           HA       TYR   2   1.851  -3.346  -3.392
   14    HB2  TYR   2           2HB      TYR   2   1.897  -2.869  -6.120
   15    HB3  TYR   2           3HB      TYR   2   0.457  -3.014  -5.119
   16    HD1  TYR   2           HD1      TYR   2   2.999  -0.369  -5.872
   17    HD2  TYR   2           HD2      TYR   2  -1.114  -1.369  -5.447
   18    HE1  TYR   2           HE1      TYR   2   2.385   1.946  -6.432
   19    HE2  TYR   2           HE2      TYR   2  -1.740   0.942  -6.008
   20    HH   TYR   2           HH       TYR   2   0.725   3.371  -6.808
   21    H    ARG   3           H        ARG   3   3.429  -2.056  -6.208
   22    HA   ARG   3           HA       ARG   3   6.109  -2.387  -5.470
   23    HB2  ARG   3           2HB      ARG   3   6.697  -4.532  -6.196
   24    HB3  ARG   3           3HB      ARG   3   5.208  -4.790  -5.297
   25    HG2  ARG   3           2HG      ARG   3   5.424  -4.581  -8.293
   26    HG3  ARG   3           3HG      ARG   3   5.269  -6.079  -7.373
   27    HD2  ARG   3           2HD      ARG   3   3.151  -4.831  -6.395
   28    HD3  ARG   3           3HD      ARG   3   3.255  -3.961  -7.925
   29    HE   ARG   3           HE       ARG   3   2.509  -5.839  -8.995
   30   HH11  ARG   3          1HH1      ARG   3   3.616  -6.714  -5.813
   31   HH12  ARG   3          2HH1      ARG   3   3.046  -8.346  -5.921
   32   HH21  ARG   3          1HH2      ARG   3   1.754  -7.986  -9.150
   33   HH22  ARG   3          2HH2      ARG   3   1.988  -9.069  -7.821
   34    H    ARG   4           H        ARG   4   4.011  -1.044  -7.280
   35    HA   ARG   4           HA       ARG   4   5.664  -1.052  -9.721
   36    HB2  ARG   4           2HB      ARG   4   2.680  -0.890  -9.392
   37    HB3  ARG   4           3HB      ARG   4   3.469  -0.258 -10.832
   38    HG2  ARG   4           2HG      ARG   4   3.657  -2.285 -11.710
   39    HG3  ARG   4           3HG      ARG   4   4.389  -2.924 -10.237
   40    HD2  ARG   4           2HD      ARG   4   2.447  -4.178 -10.438
   41    HD3  ARG   4           3HD      ARG   4   1.983  -2.909  -9.306
   42    HE   ARG   4           HE       ARG   4   1.281  -1.896 -11.722
   43   HH11  ARG   4          1HH1      ARG   4   0.605  -4.883 -10.066
   44   HH12  ARG   4          2HH1      ARG   4  -0.948  -5.093 -10.806
   45   HH21  ARG   4          1HH2      ARG   4  -0.761  -2.161 -12.702
   46   HH22  ARG   4          2HH2      ARG   4  -1.723  -3.544 -12.306
   47    H    ARG   5           H        ARG   5   4.967   0.682  -7.066
   48    HA   ARG   5           HA       ARG   5   4.206   3.204  -7.682
   49    HB2  ARG   5           2HB      ARG   5   5.577   4.007  -5.866
   50    HB3  ARG   5           3HB      ARG   5   4.929   2.430  -5.434
   51    HG2  ARG   5           2HG      ARG   5   7.316   1.769  -6.586
   52    HG3  ARG   5           3HG      ARG   5   7.693   3.295  -5.783
   53    HD2  ARG   5           2HD      ARG   5   6.536   2.293  -3.735
   54    HD3  ARG   5           3HD      ARG   5   6.650   0.749  -4.579
   55    HE   ARG   5           HE       ARG   5   8.896   0.703  -4.125
   56   HH11  ARG   5          1HH1      ARG   5   7.670   3.909  -3.543
   57   HH12  ARG   5          2HH1      ARG   5   9.134   4.477  -2.812
   58   HH21  ARG   5          1HH2      ARG   5  10.829   1.440  -3.164
   59   HH22  ARG   5          2HH2      ARG   5  10.930   3.072  -2.597
   60    H    PHE   6           H        PHE   6   7.263   1.696  -8.511
   61    HA   PHE   6           HA       PHE   6   8.705   3.952  -9.293
   62    HB2  PHE   6           2HB      PHE   6  10.258   2.409  -9.756
   63    HB3  PHE   6           3HB      PHE   6   9.067   1.169  -9.377
   64    HD1  PHE   6           HD2      PHE   6   7.427   0.579 -11.346
   65    HD2  PHE   6           HD1      PHE   6  11.246   2.397 -11.828
   66    HE1  PHE   6           HE2      PHE   6   7.503  -0.205 -13.677
   67    HE2  PHE   6           HE1      PHE   6  11.327   1.616 -14.160
   68    HZ   PHE   6           HZ       PHE   6   9.455   0.312 -15.087
   69    H    VAL   7           H        VAL   7   6.550   1.866 -11.194
   70    HA   VAL   7           HA       VAL   7   6.205   2.153 -13.558
   71    HB   VAL   7           HB       VAL   7   4.264   3.908 -13.546
   72   HG11  VAL   7          1HG1      VAL   7   4.209   1.338 -13.468
   73   HG12  VAL   7          2HG1      VAL   7   3.877   1.541 -11.747
   74   HG13  VAL   7          3HG1      VAL   7   2.774   2.219 -12.945
   75   HG21  VAL   7          3HG2      VAL   7   3.938   3.427 -10.691
   76   HG22  VAL   7          1HG2      VAL   7   5.317   4.459 -11.068
   77   HG23  VAL   7          2HG2      VAL   7   3.704   4.904 -11.624
   78    H    VAL   8           H        VAL   8   8.577   3.521 -13.139
   79    HA   VAL   8           HA       VAL   8   8.537   6.260 -13.704
   80    HB   VAL   8           HB       VAL   8  10.836   6.093 -14.244
   81   HG11  VAL   8          1HG1      VAL   8   9.932   4.129 -12.173
   82   HG12  VAL   8          2HG1      VAL   8  11.651   4.367 -12.499
   83   HG13  VAL   8          3HG1      VAL   8  10.658   5.722 -11.960
   84   HG21  VAL   8          3HG2      VAL   8  11.699   3.566 -14.467
   85   HG22  VAL   8          1HG2      VAL   8  10.089   3.384 -15.164
   86   HG23  VAL   8          2HG2      VAL   8  11.223   4.545 -15.855
   87    H    GLY   9           H        GLY   9   6.928   4.257 -15.467
   88    HA2  GLY   9           2HA      GLY   9   7.921   5.136 -18.092
   89    HA3  GLY   9           3HA      GLY   9   6.802   3.810 -17.815
   90    H    ARG  10           H        ARG  10   6.646   7.084 -16.485
   91    HA   ARG  10           HA       ARG  10   3.951   7.338 -17.575
   92    HB2  ARG  10           2HB      ARG  10   5.244   9.393 -15.820
   93    HB3  ARG  10           3HB      ARG  10   3.547   8.951 -15.949
   94    HG2  ARG  10           2HG      ARG  10   3.851   7.806 -14.070
   95    HG3  ARG  10           3HG      ARG  10   4.729   6.633 -15.054
   96    HD2  ARG  10           2HD      ARG  10   6.745   7.281 -14.264
   97    HD3  ARG  10           3HD      ARG  10   6.276   8.978 -14.163
   98    HE   ARG  10           HE       ARG  10   4.964   7.381 -12.196
   99   HH11  ARG  10          1HH1      ARG  10   7.951   8.996 -12.963
  100   HH12  ARG  10          2HH1      ARG  10   8.417   9.201 -11.307
  101   HH21  ARG  10          1HH2      ARG  10   5.566   7.646 -10.012
  102   HH22  ARG  10          2HH2      ARG  10   7.060   8.432  -9.629
  Start of MODEL    3
    1    H1   LEU   1           H        LEU   1   1.160  -0.253   0.559
    2    HA   LEU   1           HA       LEU   1   1.162   0.697  -2.195
    3    HB2  LEU   1           2HB      LEU   1   2.912   1.244  -0.372
    4    HB3  LEU   1           3HB      LEU   1   3.553  -0.358  -0.732
    5    HG   LEU   1           HG       LEU   1   3.170   1.325  -3.097
    6   HD11  LEU   1          1HD1      LEU   1   4.654   3.005  -2.682
    7   HD12  LEU   1          2HD1      LEU   1   5.502   2.101  -1.428
    8   HD13  LEU   1          3HD1      LEU   1   3.939   2.839  -1.078
    9   HD21  LEU   1          3HD2      LEU   1   4.696  -0.884  -2.275
   10   HD22  LEU   1          1HD2      LEU   1   5.843   0.417  -2.598
   11   HD23  LEU   1          2HD2      LEU   1   4.707  -0.088  -3.849
   12    H    TYR   2           H        TYR   2   2.592  -0.601  -3.746
   13    HA   TYR   2           HA       TYR   2   2.013  -3.474  -3.439
   14    HB2  TYR   2           2HB      TYR   2   2.141  -3.028  -6.171
   15    HB3  TYR   2           3HB      TYR   2   0.674  -3.258  -5.226
   16    HD1  TYR   2           HD2      TYR   2   3.063  -0.460  -5.925
   17    HD2  TYR   2           HD1      TYR   2  -0.989  -1.724  -5.632
   18    HE1  TYR   2           HE2      TYR   2   2.319   1.802  -6.541
   19    HE2  TYR   2           HE1      TYR   2  -1.744   0.534  -6.248
   20    HH   TYR   2           HH       TYR   2  -0.677   2.949  -6.051
   21    H    ARG   3           H        ARG   3   3.621  -2.118  -6.208
   22    HA   ARG   3           HA       ARG   3   6.283  -2.274  -5.356
   23    HB2  ARG   3           2HB      ARG   3   7.031  -4.386  -5.994
   24    HB3  ARG   3           3HB      ARG   3   5.494  -4.734  -5.214
   25    HG2  ARG   3           2HG      ARG   3   5.982  -4.553  -8.180
   26    HG3  ARG   3           3HG      ARG   3   5.742  -6.030  -7.244
   27    HD2  ARG   3           2HD      ARG   3   3.740  -3.809  -7.639
   28    HD3  ARG   3           3HD      ARG   3   3.692  -5.405  -8.386
   29    HE   ARG   3           HE       ARG   3   3.742  -5.511  -5.524
   30   HH11  ARG   3          1HH1      ARG   3   1.697  -5.109  -8.312
   31   HH12  ARG   3          2HH1      ARG   3   0.269  -5.670  -7.508
   32   HH21  ARG   3          1HH2      ARG   3   1.869  -6.252  -4.454
   33   HH22  ARG   3          2HH2      ARG   3   0.368  -6.319  -5.313
   34    H    ARG   4           H        ARG   4   4.166  -1.105  -7.279
   35    HA   ARG   4           HA       ARG   4   5.928  -1.013  -9.640
   36    HB2  ARG   4           2HB      ARG   4   2.929  -1.069  -9.449
   37    HB3  ARG   4           3HB      ARG   4   3.733  -0.392 -10.859
   38    HG2  ARG   4           2HG      ARG   4   4.111  -2.406 -11.704
   39    HG3  ARG   4           3HG      ARG   4   4.820  -2.977 -10.191
   40    HD2  ARG   4           2HD      ARG   4   2.988  -4.374 -10.465
   41    HD3  ARG   4           3HD      ARG   4   2.376  -3.131  -9.374
   42    HE   ARG   4           HE       ARG   4   1.700  -2.181 -11.807
   43   HH11  ARG   4          1HH1      ARG   4   1.238  -5.258 -10.245
   44   HH12  ARG   4          2HH1      ARG   4  -0.240  -5.606 -11.079
   45   HH21  ARG   4          1HH2      ARG   4  -0.245  -2.628 -12.911
   46   HH22  ARG   4          2HH2      ARG   4  -1.083  -4.110 -12.595
   47    H    ARG   5           H        ARG   5   5.008   0.691  -7.043
   48    HA   ARG   5           HA       ARG   5   4.084   3.143  -7.715
   49    HB2  ARG   5           2HB      ARG   5   5.328   4.064  -5.864
   50    HB3  ARG   5           3HB      ARG   5   4.785   2.447  -5.435
   51    HG2  ARG   5           2HG      ARG   5   7.252   1.955  -6.497
   52    HG3  ARG   5           3HG      ARG   5   7.488   3.514  -5.703
   53    HD2  ARG   5           2HD      ARG   5   6.344   2.453  -3.680
   54    HD3  ARG   5           3HD      ARG   5   6.592   0.912  -4.499
   55    HE   ARG   5           HE       ARG   5   8.560   2.468  -3.137
   56   HH11  ARG   5          1HH1      ARG   5   8.063   0.232  -5.759
   57   HH12  ARG   5          2HH1      ARG   5   9.690  -0.363  -5.733
   58   HH21  ARG   5          1HH2      ARG   5  10.705   1.693  -3.093
   59   HH22  ARG   5          2HH2      ARG   5  11.192   0.468  -4.215
   60    H    PHE   6           H        PHE   6   7.271   1.861  -8.421
   61    HA   PHE   6           HA       PHE   6   8.569   4.209  -9.183
   62    HB2  PHE   6           2HB      PHE   6  10.246   2.782  -9.574
   63    HB3  PHE   6           3HB      PHE   6   9.138   1.460  -9.220
   64    HD1  PHE   6           HD1      PHE   6   7.615   0.732 -11.236
   65    HD2  PHE   6           HD2      PHE   6  11.303   2.822 -11.611
   66    HE1  PHE   6           HE1      PHE   6   7.828  -0.068 -13.553
   67    HE2  PHE   6           HE2      PHE   6  11.522   2.027 -13.929
   68    HZ   PHE   6           HZ       PHE   6   9.783   0.581 -14.903
   69    H    VAL   7           H        VAL   7   6.640   1.950 -11.129
   70    HA   VAL   7           HA       VAL   7   6.356   2.188 -13.506
   71    HB   VAL   7           HB       VAL   7   4.291   3.794 -13.581
   72   HG11  VAL   7          1HG1      VAL   7   4.424   1.228 -13.473
   73   HG12  VAL   7          2HG1      VAL   7   4.018   1.423 -11.767
   74   HG13  VAL   7          3HG1      VAL   7   2.911   2.005 -13.010
   75   HG21  VAL   7          3HG2      VAL   7   3.905   3.317 -10.732
   76   HG22  VAL   7          1HG2      VAL   7   5.215   4.446 -11.076
   77   HG23  VAL   7          2HG2      VAL   7   3.593   4.764 -11.690
   78    H    VAL   8           H        VAL   8   8.604   3.732 -13.026
   79    HA   VAL   8           HA       VAL   8   8.381   6.456 -13.625
   80    HB   VAL   8           HB       VAL   8  10.704   6.454 -14.085
   81   HG11  VAL   8          1HG1      VAL   8   9.877   4.449 -12.022
   82   HG12  VAL   8          2HG1      VAL   8  11.583   4.809 -12.293
   83   HG13  VAL   8          3HG1      VAL   8  10.476   6.093 -11.804
   84   HG21  VAL   8          3HG2      VAL   8  11.754   3.992 -14.247
   85   HG22  VAL   8          1HG2      VAL   8  10.189   3.693 -15.002
   86   HG23  VAL   8          2HG2      VAL   8  11.264   4.925 -15.661
   87    H    GLY   9           H        GLY   9   6.986   4.321 -15.416
   88    HA2  GLY   9           2HA      GLY   9   8.000   5.247 -18.017
   89    HA3  GLY   9           3HA      GLY   9   6.974   3.844 -17.761
   90    H    ARG  10           H        ARG  10   6.530   7.110 -16.477
   91    HA   ARG  10           HA       ARG  10   3.863   7.151 -17.659
   92    HB2  ARG  10           2HB      ARG  10   4.940   9.314 -15.887
   93    HB3  ARG  10           3HB      ARG  10   3.285   8.746 -16.067
   94    HG2  ARG  10           2HG      ARG  10   3.609   7.645 -14.165
   95    HG3  ARG  10           3HG      ARG  10   4.604   6.531 -15.105
   96    HD2  ARG  10           2HD      ARG  10   6.539   7.335 -14.256
   97    HD3  ARG  10           3HD      ARG  10   5.942   8.993 -14.191
   98    HE   ARG  10           HE       ARG  10   4.678   7.335 -12.250
   99   HH11  ARG  10          1HH1      ARG  10   7.590   9.114 -12.937
  100   HH12  ARG  10          2HH1      ARG  10   7.990   9.359 -11.269
  101   HH21  ARG  10          1HH2      ARG  10   5.193   7.650 -10.050
  102   HH22  ARG  10          2HH2      ARG  10   6.626   8.525  -9.628
  Start of MODEL    4
    1    H1   LEU   1           H        LEU   1   0.888  -0.366   0.317
    2    HA   LEU   1           HA       LEU   1   1.899   1.103  -1.761
    3    HB2  LEU   1           2HB      LEU   1   3.861   1.248  -0.084
    4    HB3  LEU   1           3HB      LEU   1   4.190  -0.414  -0.568
    5    HG   LEU   1           HG       LEU   1   3.904   1.443  -2.815
    6   HD11  LEU   1          1HD1      LEU   1   5.086   2.685  -0.807
    7   HD12  LEU   1          2HD1      LEU   1   5.676   2.832  -2.462
    8   HD13  LEU   1          3HD1      LEU   1   6.466   1.725  -1.339
    9   HD21  LEU   1          3HD2      LEU   1   6.412   0.125  -2.690
   10   HD22  LEU   1          1HD2      LEU   1   5.037  -0.224  -3.738
   11   HD23  LEU   1          2HD2      LEU   1   5.172  -1.016  -2.167
   12    H    TYR   2           H        TYR   2   2.957  -0.316  -3.493
   13    HA   TYR   2           HA       TYR   2   1.931  -3.069  -3.265
   14    HB2  TYR   2           2HB      TYR   2   1.900  -2.496  -5.972
   15    HB3  TYR   2           3HB      TYR   2   0.500  -2.522  -4.905
   16    HD1  TYR   2           HD1      TYR   2   3.281  -0.136  -5.679
   17    HD2  TYR   2           HD2      TYR   2  -0.898  -0.711  -5.126
   18    HE1  TYR   2           HE1      TYR   2   2.898   2.251  -6.136
   19    HE2  TYR   2           HE2      TYR   2  -1.292   1.673  -5.583
   20    HH   TYR   2           HH       TYR   2   1.336   3.815  -6.568
   21    H    ARG   3           H        ARG   3   3.502  -1.843  -6.112
   22    HA   ARG   3           HA       ARG   3   6.164  -2.480  -5.514
   23    HB2  ARG   3           2HB      ARG   3   6.487  -4.639  -6.364
   24    HB3  ARG   3           3HB      ARG   3   5.029  -4.780  -5.391
   25    HG2  ARG   3           2HG      ARG   3   5.091  -4.444  -8.382
   26    HG3  ARG   3           3HG      ARG   3   4.858  -5.970  -7.528
   27    HD2  ARG   3           2HD      ARG   3   2.933  -4.566  -6.351
   28    HD3  ARG   3           3HD      ARG   3   3.008  -3.674  -7.870
   29    HE   ARG   3           HE       ARG   3   2.881  -6.270  -8.653
   30   HH11  ARG   3          1HH1      ARG   3   0.950  -4.278  -6.549
   31   HH12  ARG   3          2HH1      ARG   3  -0.521  -5.131  -6.877
   32   HH21  ARG   3          1HH2      ARG   3   0.949  -7.402  -9.092
   33   HH22  ARG   3          2HH2      ARG   3  -0.521  -6.908  -8.322
   34    H    ARG   4           H        ARG   4   4.144  -0.844  -7.166
   35    HA   ARG   4           HA       ARG   4   5.683  -0.911  -9.679
   36    HB2  ARG   4           2HB      ARG   4   2.747  -0.464  -9.209
   37    HB3  ARG   4           3HB      ARG   4   3.536   0.148 -10.656
   38    HG2  ARG   4           2HG      ARG   4   3.478  -1.846 -11.621
   39    HG3  ARG   4           3HG      ARG   4   4.204  -2.620 -10.211
   40    HD2  ARG   4           2HD      ARG   4   1.915  -2.526  -9.143
   41    HD3  ARG   4           3HD      ARG   4   1.293  -2.056 -10.724
   42    HE   ARG   4           HE       ARG   4   2.105  -4.677  -9.896
   43   HH11  ARG   4          1HH1      ARG   4   1.740  -2.544 -12.624
   44   HH12  ARG   4          2HH1      ARG   4   1.576  -3.830 -13.773
   45   HH21  ARG   4          1HH2      ARG   4   1.890  -6.378 -11.400
   46   HH22  ARG   4          2HH2      ARG   4   1.660  -6.010 -13.076
   47    H    ARG   5           H        ARG   5   5.291   0.761  -6.928
   48    HA   ARG   5           HA       ARG   5   4.759   3.371  -7.393
   49    HB2  ARG   5           2HB      ARG   5   6.256   3.947  -5.611
   50    HB3  ARG   5           3HB      ARG   5   5.541   2.386  -5.231
   51    HG2  ARG   5           2HG      ARG   5   7.783   1.605  -6.522
   52    HG3  ARG   5           3HG      ARG   5   8.333   3.106  -5.775
   53    HD2  ARG   5           2HD      ARG   5   6.823   1.707  -3.839
   54    HD3  ARG   5           3HD      ARG   5   7.924   0.546  -4.579
   55    HE   ARG   5           HE       ARG   5   9.144   3.041  -3.790
   56   HH11  ARG   5          1HH1      ARG   5   8.316  -0.207  -2.851
   57   HH12  ARG   5          2HH1      ARG   5   9.523  -0.295  -1.611
   58   HH21  ARG   5          1HH2      ARG   5  10.736   2.938  -2.160
   59   HH22  ARG   5          2HH2      ARG   5  10.898   1.494  -1.218
   60    H    PHE   6           H        PHE   6   7.607   1.615  -8.450
   61    HA   PHE   6           HA       PHE   6   9.222   3.753  -9.222
   62    HB2  PHE   6           2HB      PHE   6  10.588   2.089  -9.832
   63    HB3  PHE   6           3HB      PHE   6   9.300   0.954  -9.441
   64    HD1  PHE   6           HD1      PHE   6   7.514   0.618 -11.339
   65    HD2  PHE   6           HD2      PHE   6  11.462   2.082 -11.955
   66    HE1  PHE   6           HE1      PHE   6   7.393  -0.059 -13.702
   67    HE2  PHE   6           HE2      PHE   6  11.348   1.409 -14.318
   68    HZ   PHE   6           HZ       PHE   6   9.311   0.337 -15.195
   69    H    VAL   7           H        VAL   7   6.776   1.973 -11.084
   70    HA   VAL   7           HA       VAL   7   6.340   2.403 -13.411
   71    HB   VAL   7           HB       VAL   7   4.583   4.331 -13.219
   72   HG11  VAL   7          1HG1      VAL   7   4.280   1.778 -13.243
   73   HG12  VAL   7          2HG1      VAL   7   4.062   1.931 -11.499
   74   HG13  VAL   7          3HG1      VAL   7   2.968   2.766 -12.602
   75   HG21  VAL   7          3HG2      VAL   7   4.359   3.753 -10.371
   76   HG22  VAL   7          1HG2      VAL   7   5.811   4.665 -10.783
   77   HG23  VAL   7          2HG2      VAL   7   4.223   5.288 -11.230
   78    H    VAL   8           H        VAL   8   8.852   3.517 -13.068
   79    HA   VAL   8           HA       VAL   8   9.052   6.271 -13.515
   80    HB   VAL   8           HB       VAL   8  11.292   5.910 -14.191
   81   HG11  VAL   8          1HG1      VAL   8  10.309   3.948 -12.156
   82   HG12  VAL   8          2HG1      VAL   8  12.023   4.032 -12.569
   83   HG13  VAL   8          3HG1      VAL   8  11.200   5.451 -11.919
   84   HG21  VAL   8          3HG2      VAL   8  11.890   3.326 -14.569
   85   HG22  VAL   8          1HG2      VAL   8  10.235   3.333 -15.180
   86   HG23  VAL   8          2HG2      VAL   8  11.441   4.410 -15.885
   87    H    GLY   9           H        GLY   9   7.169   4.510 -15.269
   88    HA2  GLY   9           2HA      GLY   9   8.123   5.250 -17.929
   89    HA3  GLY   9           3HA      GLY   9   6.725   4.249 -17.567
   90    H    ARG  10           H        ARG  10   7.390   7.397 -16.141
   91    HA   ARG  10           HA       ARG  10   4.876   8.367 -17.295
   92    HB2  ARG  10           2HB      ARG  10   6.419   9.851 -15.201
   93    HB3  ARG  10           3HB      ARG  10   4.685   9.818 -15.491
   94    HG2  ARG  10           2HG      ARG  10   6.289   7.525 -14.380
   95    HG3  ARG  10           3HG      ARG  10   5.341   8.663 -13.420
   96    HD2  ARG  10           2HD      ARG  10   3.624   7.733 -15.431
   97    HD3  ARG  10           3HD      ARG  10   4.487   6.313 -14.841
   98    HE   ARG  10           HE       ARG  10   3.609   7.789 -12.634
   99   HH11  ARG  10          1HH1      ARG  10   2.299   5.915 -15.259
  100   HH12  ARG  10          2HH1      ARG  10   0.888   5.427 -14.380
  101   HH21  ARG  10          1HH2      ARG  10   1.756   7.154 -11.466
  102   HH22  ARG  10          2HH2      ARG  10   0.580   6.134 -12.222
  Start of MODEL    5
    1    H1   LEU   1           H        LEU   1   2.327  -0.195   0.641
    2    HA   LEU   1           HA       LEU   1   1.325   1.103  -1.805
    3    HB2  LEU   1           2HB      LEU   1   3.514   1.341  -2.565
    4    HB3  LEU   1           3HB      LEU   1   3.598   1.748  -0.852
    5    HG   LEU   1           HG       LEU   1   4.154  -1.028  -1.129
    6   HD11  LEU   1          1HD1      LEU   1   5.540   0.751  -3.106
    7   HD12  LEU   1          2HD1      LEU   1   4.808  -0.833  -3.362
    8   HD13  LEU   1          3HD1      LEU   1   6.315  -0.694  -2.456
    9   HD21  LEU   1          3HD2      LEU   1   4.925   0.411   0.677
   10   HD22  LEU   1          1HD2      LEU   1   5.915   1.329  -0.458
   11   HD23  LEU   1          2HD2      LEU   1   6.289  -0.363  -0.130
   12    H    TYR   2           H        TYR   2   2.804  -0.244  -3.684
   13    HA   TYR   2           HA       TYR   2   1.852  -3.021  -3.421
   14    HB2  TYR   2           2HB      TYR   2   1.931  -2.505  -6.145
   15    HB3  TYR   2           3HB      TYR   2   0.486  -2.568  -5.141
   16    HD1  TYR   2           HD1      TYR   2   3.203  -0.097  -5.874
   17    HD2  TYR   2           HD2      TYR   2  -0.966  -0.808  -5.416
   18    HE1  TYR   2           HE1      TYR   2   2.750   2.265  -6.391
   19    HE2  TYR   2           HE2      TYR   2  -1.431   1.551  -5.933
   20    HH   TYR   2           HH       TYR   2  -0.451   3.634  -6.068
   21    H    ARG   3           H        ARG   3   3.525  -1.801  -6.218
   22    HA   ARG   3           HA       ARG   3   6.169  -2.363  -5.491
   23    HB2  ARG   3           2HB      ARG   3   6.584  -4.532  -6.240
   24    HB3  ARG   3           3HB      ARG   3   5.051  -4.691  -5.392
   25    HG2  ARG   3           2HG      ARG   3   5.412  -4.457  -8.373
   26    HG3  ARG   3           3HG      ARG   3   5.027  -5.928  -7.478
   27    HD2  ARG   3           2HD      ARG   3   3.039  -4.396  -6.596
   28    HD3  ARG   3           3HD      ARG   3   3.316  -3.598  -8.144
   29    HE   ARG   3           HE       ARG   3   2.343  -5.384  -9.175
   30   HH11  ARG   3          1HH1      ARG   3   3.365  -6.357  -5.992
   31   HH12  ARG   3          2HH1      ARG   3   2.642  -7.928  -6.098
   32   HH21  ARG   3          1HH2      ARG   3   1.387  -7.450  -9.327
   33   HH22  ARG   3          2HH2      ARG   3   1.518  -8.549  -7.996
   34    H    ARG   4           H        ARG   4   4.161  -0.838  -7.282
   35    HA   ARG   4           HA       ARG   4   5.832  -0.895  -9.709
   36    HB2  ARG   4           2HB      ARG   4   2.861  -0.557  -9.400
   37    HB3  ARG   4           3HB      ARG   4   3.699   0.057 -10.819
   38    HG2  ARG   4           2HG      ARG   4   3.771  -1.958 -11.740
   39    HG3  ARG   4           3HG      ARG   4   4.451  -2.673 -10.277
   40    HD2  ARG   4           2HD      ARG   4   2.438  -3.801 -10.521
   41    HD3  ARG   4           3HD      ARG   4   2.041  -2.531  -9.364
   42    HE   ARG   4           HE       ARG   4   1.527  -1.692 -12.029
   43   HH11  ARG   4          1HH1      ARG   4   0.272  -3.673  -9.455
   44   HH12  ARG   4          2HH1      ARG   4  -1.374  -3.535  -9.976
   45   HH21  ARG   4          1HH2      ARG   4  -0.637  -1.502 -12.724
   46   HH22  ARG   4          2HH2      ARG   4  -1.890  -2.301 -11.836
   47    H    ARG   5           H        ARG   5   5.237   0.818  -7.022
   48    HA   ARG   5           HA       ARG   5   4.628   3.394  -7.574
   49    HB2  ARG   5           2HB      ARG   5   6.012   4.068  -5.734
   50    HB3  ARG   5           3HB      ARG   5   5.334   2.491  -5.352
   51    HG2  ARG   5           2HG      ARG   5   7.669   1.770  -6.514
   52    HG3  ARG   5           3HG      ARG   5   8.122   3.301  -5.761
   53    HD2  ARG   5           2HD      ARG   5   6.943   2.354  -3.668
   54    HD3  ARG   5           3HD      ARG   5   7.092   0.796  -4.480
   55    HE   ARG   5           HE       ARG   5   9.605   1.792  -4.585
   56   HH11  ARG   5          1HH1      ARG   5   7.317   1.333  -2.002
   57   HH12  ARG   5          2HH1      ARG   5   8.533   1.084  -0.793
   58   HH21  ARG   5          1HH2      ARG   5  11.216   1.465  -3.003
   59   HH22  ARG   5          2HH2      ARG   5  10.751   1.160  -1.364
   60    H    PHE   6           H        PHE   6   7.591   1.731  -8.447
   61    HA   PHE   6           HA       PHE   6   9.160   3.915  -9.186
   62    HB2  PHE   6           2HB      PHE   6  10.618   2.294  -9.688
   63    HB3  PHE   6           3HB      PHE   6   9.357   1.117  -9.335
   64    HD1  PHE   6           HD2      PHE   6   7.684   0.670 -11.313
   65    HD2  PHE   6           HD1      PHE   6  11.599   2.277 -11.763
   66    HE1  PHE   6           HE2      PHE   6   7.710  -0.061 -13.662
   67    HE2  PHE   6           HE1      PHE   6  11.631   1.549 -14.113
   68    HZ   PHE   6           HZ       PHE   6   9.685   0.378 -15.065
   69    H    VAL   7           H        VAL   7   6.882   2.001 -11.126
   70    HA   VAL   7           HA       VAL   7   6.550   2.363 -13.481
   71    HB   VAL   7           HB       VAL   7   4.712   4.225 -13.422
   72   HG11  VAL   7          1HG1      VAL   7   4.509   1.662 -13.403
   73   HG12  VAL   7          2HG1      VAL   7   4.197   1.842 -11.675
   74   HG13  VAL   7          3HG1      VAL   7   3.129   2.611 -12.851
   75   HG21  VAL   7          3HG2      VAL   7   4.365   3.698 -10.576
   76   HG22  VAL   7          1HG2      VAL   7   5.801   4.658 -10.935
   77   HG23  VAL   7          2HG2      VAL   7   4.215   5.208 -11.475
   78    H    VAL   8           H        VAL   8   8.996   3.583 -13.039
   79    HA   VAL   8           HA       VAL   8   9.113   6.333 -13.538
   80    HB   VAL   8           HB       VAL   8  11.397   6.046 -14.094
   81   HG11  VAL   8          1HG1      VAL   8  10.388   4.090 -12.065
   82   HG12  VAL   8          2HG1      VAL   8  12.116   4.234 -12.394
   83   HG13  VAL   8          3HG1      VAL   8  11.207   5.632 -11.819
   84   HG21  VAL   8          3HG2      VAL   8  12.109   3.478 -14.380
   85   HG22  VAL   8          1HG2      VAL   8  10.490   3.409 -15.075
   86   HG23  VAL   8          2HG2      VAL   8  11.690   4.517 -15.742
   87    H    GLY   9           H        GLY   9   7.390   4.463 -15.343
   88    HA2  GLY   9           2HA      GLY   9   8.448   5.184 -17.968
   89    HA3  GLY   9           3HA      GLY   9   7.073   4.136 -17.654
   90    H    ARG  10           H        ARG  10   7.544   7.337 -16.269
   91    HA   ARG  10           HA       ARG  10   5.057   8.183 -17.569
   92    HB2  ARG  10           2HB      ARG  10   6.433   9.770 -15.435
   93    HB3  ARG  10           3HB      ARG  10   4.718   9.663 -15.810
   94    HG2  ARG  10           2HG      ARG  10   6.351   7.459 -14.569
   95    HG3  ARG  10           3HG      ARG  10   5.313   8.578 -13.684
   96    HD2  ARG  10           2HD      ARG  10   3.759   7.517 -15.778
   97    HD3  ARG  10           3HD      ARG  10   4.620   6.160 -15.053
   98    HE   ARG  10           HE       ARG  10   3.578   7.648 -12.963
   99   HH11  ARG  10          1HH1      ARG  10   2.376   5.850 -15.691
  100   HH12  ARG  10          2HH1      ARG  10   0.887   5.420 -14.918
  101   HH21  ARG  10          1HH2      ARG  10   1.621   7.088 -11.934
  102   HH22  ARG  10          2HH2      ARG  10   0.458   6.125 -12.781
  Start of MODEL    6
    1    H1   LEU   1           H        LEU   1   2.741  -0.036   0.673
    2    HA   LEU   1           HA       LEU   1   1.588   0.786  -1.807
    3    HB2  LEU   1           2HB      LEU   1   3.768   1.051  -2.580
    4    HB3  LEU   1           3HB      LEU   1   3.871   1.404  -0.856
    5    HG   LEU   1           HG       LEU   1   4.425  -1.361  -1.229
    6   HD11  LEU   1          1HD1      LEU   1   5.056  -1.089  -3.461
    7   HD12  LEU   1          2HD1      LEU   1   6.571  -0.984  -2.567
    8   HD13  LEU   1          3HD1      LEU   1   5.793   0.484  -3.158
    9   HD21  LEU   1          3HD2      LEU   1   5.739   1.067  -0.164
   10   HD22  LEU   1          1HD2      LEU   1   6.782  -0.304  -0.546
   11   HD23  LEU   1          2HD2      LEU   1   5.453  -0.499   0.597
   12    H    TYR   2           H        TYR   2   3.051  -0.508  -3.736
   13    HA   TYR   2           HA       TYR   2   2.104  -3.292  -3.540
   14    HB2  TYR   2           2HB      TYR   2   2.153  -2.707  -6.249
   15    HB3  TYR   2           3HB      TYR   2   0.719  -2.790  -5.232
   16    HD1  TYR   2           HD2      TYR   2   3.436  -0.308  -5.926
   17    HD2  TYR   2           HD1      TYR   2  -0.733  -1.022  -5.458
   18    HE1  TYR   2           HE2      TYR   2   2.984   2.067  -6.380
   19    HE2  TYR   2           HE1      TYR   2  -1.196   1.351  -5.911
   20    HH   TYR   2           HH       TYR   2   1.308   3.540  -6.981
   21    H    ARG   3           H        ARG   3   3.743  -2.002  -6.324
   22    HA   ARG   3           HA       ARG   3   6.397  -2.574  -5.639
   23    HB2  ARG   3           2HB      ARG   3   6.808  -4.725  -6.432
   24    HB3  ARG   3           3HB      ARG   3   5.275  -4.907  -5.589
   25    HG2  ARG   3           2HG      ARG   3   5.642  -4.606  -8.563
   26    HG3  ARG   3           3HG      ARG   3   5.244  -6.093  -7.700
   27    HD2  ARG   3           2HD      ARG   3   3.553  -3.601  -7.853
   28    HD3  ARG   3           3HD      ARG   3   3.249  -5.124  -8.687
   29    HE   ARG   3           HE       ARG   3   3.421  -5.429  -5.846
   30   HH11  ARG   3          1HH1      ARG   3   1.319  -4.548  -8.477
   31   HH12  ARG   3          2HH1      ARG   3  -0.134  -4.956  -7.625
   32   HH21  ARG   3          1HH2      ARG   3   1.516  -5.970  -4.714
   33   HH22  ARG   3          2HH2      ARG   3  -0.020  -5.764  -5.484
   34    H    ARG   4           H        ARG   4   4.357  -1.023  -7.377
   35    HA   ARG   4           HA       ARG   4   6.007  -1.010  -9.819
   36    HB2  ARG   4           2HB      ARG   4   3.036  -0.703  -9.476
   37    HB3  ARG   4           3HB      ARG   4   3.857  -0.049 -10.887
   38    HG2  ARG   4           2HG      ARG   4   3.937  -2.040 -11.857
   39    HG3  ARG   4           3HG      ARG   4   4.634  -2.784 -10.416
   40    HD2  ARG   4           2HD      ARG   4   2.630  -3.923 -10.664
   41    HD3  ARG   4           3HD      ARG   4   2.229  -2.678  -9.482
   42    HE   ARG   4           HE       ARG   4   1.595  -1.543 -11.870
   43   HH11  ARG   4          1HH1      ARG   4   0.732  -4.520 -10.284
   44   HH12  ARG   4          2HH1      ARG   4  -0.834  -4.610 -11.021
   45   HH21  ARG   4          1HH2      ARG   4  -0.463  -1.651 -12.846
   46   HH22  ARG   4          2HH2      ARG   4  -1.512  -2.978 -12.479
   47    H    ARG   5           H        ARG   5   5.466   0.630  -7.090
   48    HA   ARG   5           HA       ARG   5   4.816   3.213  -7.555
   49    HB2  ARG   5           2HB      ARG   5   6.256   3.854  -5.743
   50    HB3  ARG   5           3HB      ARG   5   5.593   2.266  -5.380
   51    HG2  ARG   5           2HG      ARG   5   7.902   1.596  -6.638
   52    HG3  ARG   5           3HG      ARG   5   8.364   3.097  -5.833
   53    HD2  ARG   5           2HD      ARG   5   7.183   0.635  -4.556
   54    HD3  ARG   5           3HD      ARG   5   8.827   1.242  -4.371
   55    HE   ARG   5           HE       ARG   5   6.802   3.116  -3.563
   56   HH11  ARG   5          1HH1      ARG   5   8.786   0.434  -2.569
   57   HH12  ARG   5          2HH1      ARG   5   8.711   0.833  -0.884
   58   HH21  ARG   5          1HH2      ARG   5   6.695   3.652  -1.349
   59   HH22  ARG   5          2HH2      ARG   5   7.520   2.664  -0.192
   60    H    PHE   6           H        PHE   6   7.767   1.605  -8.560
   61    HA   PHE   6           HA       PHE   6   9.291   3.824  -9.288
   62    HB2  PHE   6           2HB      PHE   6  10.749   2.232  -9.877
   63    HB3  PHE   6           3HB      PHE   6   9.511   1.034  -9.518
   64    HD1  PHE   6           HD1      PHE   6   7.782   0.621 -11.455
   65    HD2  PHE   6           HD2      PHE   6  11.667   2.279 -11.981
   66    HE1  PHE   6           HE1      PHE   6   7.744  -0.049 -13.822
   67    HE2  PHE   6           HE2      PHE   6  11.634   1.613 -14.349
   68    HZ   PHE   6           HZ       PHE   6   9.671   0.449 -15.273
   69    H    VAL   7           H        VAL   7   6.974   1.937 -11.209
   70    HA   VAL   7           HA       VAL   7   6.566   2.358 -13.542
   71    HB   VAL   7           HB       VAL   7   4.713   4.197 -13.379
   72   HG11  VAL   7          1HG1      VAL   7   4.536   1.633 -13.421
   73   HG12  VAL   7          2HG1      VAL   7   4.274   1.765 -11.681
   74   HG13  VAL   7          3HG1      VAL   7   3.164   2.552 -12.803
   75   HG21  VAL   7          3HG2      VAL   7   4.459   3.593 -10.539
   76   HG22  VAL   7          1HG2      VAL   7   5.873   4.577 -10.916
   77   HG23  VAL   7          2HG2      VAL   7   4.266   5.124 -11.393
   78    H    VAL   8           H        VAL   8   9.013   3.591 -13.143
   79    HA   VAL   8           HA       VAL   8   9.088   6.354 -13.573
   80    HB   VAL   8           HB       VAL   8  11.356   6.106 -14.205
   81   HG11  VAL   8          1HG1      VAL   8  10.428   4.087 -12.199
   82   HG12  VAL   8          2HG1      VAL   8  12.144   4.257 -12.576
   83   HG13  VAL   8          3HG1      VAL   8  11.240   5.630 -11.936
   84   HG21  VAL   8          3HG2      VAL   8  12.083   3.553 -14.579
   85   HG22  VAL   8          1HG2      VAL   8  10.445   3.488 -15.230
   86   HG23  VAL   8          2HG2      VAL   8  11.615   4.624 -15.900
   87    H    GLY   9           H        GLY   9   7.328   4.513 -15.373
   88    HA2  GLY   9           2HA      GLY   9   8.299   5.314 -18.009
   89    HA3  GLY   9           3HA      GLY   9   6.945   4.243 -17.681
   90    H    ARG  10           H        ARG  10   7.426   7.412 -16.227
   91    HA   ARG  10           HA       ARG  10   4.891   8.265 -17.427
   92    HB2  ARG  10           2HB      ARG  10   6.317   9.812 -15.297
   93    HB3  ARG  10           3HB      ARG  10   4.593   9.694 -15.622
   94    HG2  ARG  10           2HG      ARG  10   6.286   7.477 -14.489
   95    HG3  ARG  10           3HG      ARG  10   5.265   8.562 -13.543
   96    HD2  ARG  10           2HD      ARG  10   3.637   7.558 -15.594
   97    HD3  ARG  10           3HD      ARG  10   4.554   6.180 -14.986
   98    HE   ARG  10           HE       ARG  10   3.636   7.465 -12.748
   99   HH11  ARG  10          1HH1      ARG  10   2.188   6.065 -15.587
  100   HH12  ARG  10          2HH1      ARG  10   0.715   5.634 -14.783
  101   HH21  ARG  10          1HH2      ARG  10   1.702   6.904 -11.678
  102   HH22  ARG  10          2HH2      ARG  10   0.439   6.113 -12.559
  Start of MODEL    7
    1    H1   LEU   1           H        LEU   1   1.071  -0.313   0.470
    2    HA   LEU   1           HA       LEU   1   1.265   1.015  -2.153
    3    HB2  LEU   1           2HB      LEU   1   3.092   1.468  -0.380
    4    HB3  LEU   1           3HB      LEU   1   3.631  -0.170  -0.749
    5    HG   LEU   1           HG       LEU   1   3.281   1.520  -3.113
    6   HD11  LEU   1          1HD1      LEU   1   4.071   3.154  -1.368
    7   HD12  LEU   1          2HD1      LEU   1   5.123   2.965  -2.770
    8   HD13  LEU   1          3HD1      LEU   1   5.541   2.187  -1.244
    9   HD21  LEU   1          3HD2      LEU   1   4.753  -0.744  -2.268
   10   HD22  LEU   1          1HD2      LEU   1   5.912   0.502  -2.734
   11   HD23  LEU   1          2HD2      LEU   1   4.676  -0.025  -3.877
   12    H    TYR   2           H        TYR   2   2.584  -0.370  -3.731
   13    HA   TYR   2           HA       TYR   2   1.841  -3.203  -3.397
   14    HB2  TYR   2           2HB      TYR   2   1.934  -2.787  -6.131
   15    HB3  TYR   2           3HB      TYR   2   0.475  -2.902  -5.153
   16    HD1  TYR   2           HD2      TYR   2   3.042  -0.279  -5.900
   17    HD2  TYR   2           HD1      TYR   2  -1.084  -1.267  -5.577
   18    HE1  TYR   2           HE2      TYR   2   2.447   2.023  -6.528
   19    HE2  TYR   2           HE1      TYR   2  -1.690   1.032  -6.206
   20    HH   TYR   2           HH       TYR   2  -0.366   3.407  -5.997
   21    H    ARG   3           H        ARG   3   3.465  -1.972  -6.212
   22    HA   ARG   3           HA       ARG   3   6.132  -2.281  -5.412
   23    HB2  ARG   3           2HB      ARG   3   6.737  -4.436  -6.085
   24    HB3  ARG   3           3HB      ARG   3   5.223  -4.684  -5.226
   25    HG2  ARG   3           2HG      ARG   3   5.534  -4.522  -8.217
   26    HG3  ARG   3           3HG      ARG   3   5.334  -6.002  -7.276
   27    HD2  ARG   3           2HD      ARG   3   3.209  -4.595  -6.405
   28    HD3  ARG   3           3HD      ARG   3   3.356  -3.949  -8.039
   29    HE   ARG   3           HE       ARG   3   2.513  -5.917  -8.812
   30   HH11  ARG   3          1HH1      ARG   3   3.894  -6.475  -5.665
   31   HH12  ARG   3          2HH1      ARG   3   3.388  -8.130  -5.593
   32   HH21  ARG   3          1HH2      ARG   3   1.842  -8.095  -8.729
   33   HH22  ARG   3          2HH2      ARG   3   2.222  -9.051  -7.337
   34    H    ARG   4           H        ARG   4   4.056  -0.985  -7.293
   35    HA   ARG   4           HA       ARG   4   5.769  -1.012  -9.691
   36    HB2  ARG   4           2HB      ARG   4   2.776  -0.883  -9.440
   37    HB3  ARG   4           3HB      ARG   4   3.592  -0.265 -10.869
   38    HG2  ARG   4           2HG      ARG   4   3.827  -2.302 -11.708
   39    HG3  ARG   4           3HG      ARG   4   4.531  -2.908 -10.207
   40    HD2  ARG   4           2HD      ARG   4   2.611  -4.190 -10.434
   41    HD3  ARG   4           3HD      ARG   4   2.101  -2.908  -9.337
   42    HE   ARG   4           HE       ARG   4   1.498  -2.016 -11.873
   43   HH11  ARG   4          1HH1      ARG   4   0.634  -4.728  -9.868
   44   HH12  ARG   4          2HH1      ARG   4  -0.940  -4.911 -10.568
   45   HH21  ARG   4          1HH2      ARG   4  -0.571  -2.247 -12.803
   46   HH22  ARG   4          2HH2      ARG   4  -1.624  -3.500 -12.239
   47    H    ARG   5           H        ARG   5   5.041   0.752  -7.084
   48    HA   ARG   5           HA       ARG   5   4.238   3.252  -7.726
   49    HB2  ARG   5           2HB      ARG   5   5.584   4.098  -5.924
   50    HB3  ARG   5           3HB      ARG   5   5.010   2.497  -5.477
   51    HG2  ARG   5           2HG      ARG   5   7.391   1.896  -6.630
   52    HG3  ARG   5           3HG      ARG   5   7.736   3.471  -5.912
   53    HD2  ARG   5           2HD      ARG   5   6.821   2.617  -3.761
   54    HD3  ARG   5           3HD      ARG   5   6.664   1.028  -4.508
   55    HE   ARG   5           HE       ARG   5   9.257   1.592  -4.914
   56   HH11  ARG   5          1HH1      ARG   5   7.246   1.755  -2.076
   57   HH12  ARG   5          2HH1      ARG   5   8.543   1.421  -0.978
   58   HH21  ARG   5          1HH2      ARG   5  10.973   1.151  -3.478
   59   HH22  ARG   5          2HH2      ARG   5  10.663   1.078  -1.776
   60    H    PHE   6           H        PHE   6   7.317   1.788  -8.553
   61    HA   PHE   6           HA       PHE   6   8.711   4.056  -9.382
   62    HB2  PHE   6           2HB      PHE   6  10.288   2.534  -9.832
   63    HB3  PHE   6           3HB      PHE   6   9.121   1.278  -9.430
   64    HD1  PHE   6           HD2      PHE   6   7.482   0.631 -11.380
   65    HD2  PHE   6           HD1      PHE   6  11.261   2.516 -11.911
   66    HE1  PHE   6           HE2      PHE   6   7.558  -0.183 -13.700
   67    HE2  PHE   6           HE1      PHE   6  11.343   1.706 -14.233
   68    HZ   PHE   6           HZ       PHE   6   9.490   0.354 -15.130
   69    H    VAL   7           H        VAL   7   6.582   1.903 -11.237
   70    HA   VAL   7           HA       VAL   7   6.215   2.150 -13.602
   71    HB   VAL   7           HB       VAL   7   4.241   3.866 -13.601
   72   HG11  VAL   7          1HG1      VAL   7   4.235   1.299 -13.487
   73   HG12  VAL   7          2HG1      VAL   7   3.915   1.518 -11.765
   74   HG13  VAL   7          3HG1      VAL   7   2.788   2.159 -12.961
   75   HG21  VAL   7          3HG2      VAL   7   3.944   3.421 -10.736
   76   HG22  VAL   7          1HG2      VAL   7   5.300   4.474 -11.139
   77   HG23  VAL   7          2HG2      VAL   7   3.675   4.881 -11.690
   78    H    VAL   8           H        VAL   8   8.563   3.569 -13.220
   79    HA   VAL   8           HA       VAL   8   8.465   6.299 -13.823
   80    HB   VAL   8           HB       VAL   8  10.764   6.169 -14.376
   81   HG11  VAL   8          1HG1      VAL   8   9.912   4.218 -12.272
   82   HG12  VAL   8          2HG1      VAL   8  11.623   4.484 -12.612
   83   HG13  VAL   8          3HG1      VAL   8  10.608   5.827 -12.086
   84   HG21  VAL   8          3HG2      VAL   8  11.671   3.654 -14.568
   85   HG22  VAL   8          1HG2      VAL   8  10.062   3.437 -15.257
   86   HG23  VAL   8          2HG2      VAL   8  11.174   4.608 -15.966
   87    H    GLY   9           H        GLY   9   6.884   4.241 -15.546
   88    HA2  GLY   9           2HA      GLY   9   7.841   5.103 -18.190
   89    HA3  GLY   9           3HA      GLY   9   6.752   3.758 -17.887
   90    H    ARG  10           H        ARG  10   6.537   7.047 -16.602
   91    HA   ARG  10           HA       ARG  10   3.830   7.229 -17.675
   92    HB2  ARG  10           2HB      ARG  10   5.094   9.335 -15.959
   93    HB3  ARG  10           3HB      ARG  10   3.405   8.858 -16.070
   94    HG2  ARG  10           2HG      ARG  10   3.744   7.746 -14.177
   95    HG3  ARG  10           3HG      ARG  10   4.639   6.578 -15.151
   96    HD2  ARG  10           2HD      ARG  10   6.647   7.279 -14.384
   97    HD3  ARG  10           3HD      ARG  10   6.143   8.966 -14.301
   98    HE   ARG  10           HE       ARG  10   4.874   7.376 -12.305
   99   HH11  ARG  10          1HH1      ARG  10   7.838   9.012 -13.115
  100   HH12  ARG  10          2HH1      ARG  10   8.315   9.241 -11.465
  101   HH21  ARG  10          1HH2      ARG  10   5.491   7.671 -10.129
  102   HH22  ARG  10          2HH2      ARG  10   6.980   8.477  -9.767
  Start of MODEL    8
    1    H1   LEU   1           H        LEU   1   0.751  -0.342   0.253
    2    HA   LEU   1           HA       LEU   1   1.897   1.130  -1.785
    3    HB2  LEU   1           2HB      LEU   1   3.741   1.148   0.071
    4    HB3  LEU   1           3HB      LEU   1   4.073  -0.478  -0.524
    5    HG   LEU   1           HG       LEU   1   3.949   1.615  -2.591
    6   HD11  LEU   1          1HD1      LEU   1   6.236   2.404  -2.072
    7   HD12  LEU   1          2HD1      LEU   1   6.135   1.577  -0.517
    8   HD13  LEU   1          3HD1      LEU   1   5.038   2.909  -0.881
    9   HD21  LEU   1          3HD2      LEU   1   5.161  -0.964  -2.107
   10   HD22  LEU   1          1HD2      LEU   1   6.341   0.205  -2.701
   11   HD23  LEU   1          2HD2      LEU   1   4.877  -0.119  -3.630
   12    H    TYR   2           H        TYR   2   2.929  -0.287  -3.486
   13    HA   TYR   2           HA       TYR   2   1.880  -3.035  -3.300
   14    HB2  TYR   2           2HB      TYR   2   1.904  -2.436  -6.004
   15    HB3  TYR   2           3HB      TYR   2   0.484  -2.469  -4.964
   16    HD1  TYR   2           HD1      TYR   2   3.283  -0.089  -5.695
   17    HD2  TYR   2           HD2      TYR   2  -0.901  -0.645  -5.155
   18    HE1  TYR   2           HE1      TYR   2   2.915   2.303  -6.133
   19    HE2  TYR   2           HE2      TYR   2  -1.281   1.745  -5.593
   20    HH   TYR   2           HH       TYR   2  -0.236   3.782  -5.720
   21    H    ARG   3           H        ARG   3   3.509  -1.799  -6.109
   22    HA   ARG   3           HA       ARG   3   6.157  -2.440  -5.477
   23    HB2  ARG   3           2HB      ARG   3   6.494  -4.607  -6.285
   24    HB3  ARG   3           3HB      ARG   3   5.006  -4.741  -5.358
   25    HG2  ARG   3           2HG      ARG   3   5.172  -4.437  -8.349
   26    HG3  ARG   3           3HG      ARG   3   4.891  -5.949  -7.483
   27    HD2  ARG   3           2HD      ARG   3   2.962  -4.396  -6.404
   28    HD3  ARG   3           3HD      ARG   3   3.067  -3.698  -8.019
   29    HE   ARG   3           HE       ARG   3   2.931  -6.367  -8.484
   30   HH11  ARG   3          1HH1      ARG   3   0.986  -4.128  -6.661
   31   HH12  ARG   3          2HH1      ARG   3  -0.487  -5.008  -6.903
   32   HH21  ARG   3          1HH2      ARG   3   0.999  -7.535  -8.810
   33   HH22  ARG   3          2HH2      ARG   3  -0.478  -6.946  -8.125
   34    H    ARG   4           H        ARG   4   4.143  -0.834  -7.177
   35    HA   ARG   4           HA       ARG   4   5.721  -0.914  -9.665
   36    HB2  ARG   4           2HB      ARG   4   2.777  -0.471  -9.242
   37    HB3  ARG   4           3HB      ARG   4   3.587   0.123 -10.686
   38    HG2  ARG   4           2HG      ARG   4   3.552  -1.886 -11.624
   39    HG3  ARG   4           3HG      ARG   4   4.248  -2.640 -10.188
   40    HD2  ARG   4           2HD      ARG   4   1.935  -2.520  -9.170
   41    HD3  ARG   4           3HD      ARG   4   1.350  -2.086 -10.775
   42    HE   ARG   4           HE       ARG   4   2.085  -4.686  -9.866
   43   HH11  ARG   4          1HH1      ARG   4   2.000  -2.617 -12.665
   44   HH12  ARG   4          2HH1      ARG   4   1.916  -3.929 -13.794
   45   HH21  ARG   4          1HH2      ARG   4   1.974  -6.422 -11.342
   46   HH22  ARG   4          2HH2      ARG   4   1.900  -6.093 -13.040
   47    H    ARG   5           H        ARG   5   5.321   0.775  -6.939
   48    HA   ARG   5           HA       ARG   5   4.771   3.379  -7.421
   49    HB2  ARG   5           2HB      ARG   5   6.282   3.977  -5.650
   50    HB3  ARG   5           3HB      ARG   5   5.550   2.428  -5.250
   51    HG2  ARG   5           2HG      ARG   5   7.802   1.639  -6.554
   52    HG3  ARG   5           3HG      ARG   5   8.347   3.117  -5.759
   53    HD2  ARG   5           2HD      ARG   5   6.828   1.747  -3.849
   54    HD3  ARG   5           3HD      ARG   5   7.819   0.519  -4.636
   55    HE   ARG   5           HE       ARG   5   9.245   2.897  -3.828
   56   HH11  ARG   5          1HH1      ARG   5   8.196  -0.302  -2.940
   57   HH12  ARG   5          2HH1      ARG   5   9.422  -0.510  -1.733
   58   HH21  ARG   5          1HH2      ARG   5  10.862   2.635  -2.241
   59   HH22  ARG   5          2HH2      ARG   5  10.937   1.162  -1.336
   60    H    PHE   6           H        PHE   6   7.625   1.631  -8.473
   61    HA   PHE   6           HA       PHE   6   9.229   3.774  -9.258
   62    HB2  PHE   6           2HB      PHE   6  10.602   2.114  -9.863
   63    HB3  PHE   6           3HB      PHE   6   9.322   0.975  -9.459
   64    HD1  PHE   6           HD2      PHE   6   7.528   0.619 -11.349
   65    HD2  PHE   6           HD1      PHE   6  11.470   2.091 -11.988
   66    HE1  PHE   6           HE2      PHE   6   7.402  -0.076 -13.706
   67    HE2  PHE   6           HE1      PHE   6  11.350   1.399 -14.346
   68    HZ   PHE   6           HZ       PHE   6   9.315   0.313 -15.207
   69    H    VAL   7           H        VAL   7   6.785   1.975 -11.103
   70    HA   VAL   7           HA       VAL   7   6.344   2.388 -13.432
   71    HB   VAL   7           HB       VAL   7   4.581   4.313 -13.247
   72   HG11  VAL   7          1HG1      VAL   7   4.292   1.755 -13.256
   73   HG12  VAL   7          2HG1      VAL   7   4.063   1.922 -11.515
   74   HG13  VAL   7          3HG1      VAL   7   2.973   2.744 -12.632
   75   HG21  VAL   7          3HG2      VAL   7   4.366   3.743 -10.396
   76   HG22  VAL   7          1HG2      VAL   7   5.811   4.663 -10.815
   77   HG23  VAL   7          2HG2      VAL   7   4.217   5.274 -11.260
   78    H    VAL   8           H        VAL   8   8.852   3.511 -13.105
   79    HA   VAL   8           HA       VAL   8   9.045   6.263 -13.565
   80    HB   VAL   8           HB       VAL   8  11.282   5.904 -14.250
   81   HG11  VAL   8          1HG1      VAL   8  10.308   3.953 -12.202
   82   HG12  VAL   8          2HG1      VAL   8  12.019   4.022 -12.629
   83   HG13  VAL   8          3HG1      VAL   8  11.212   5.450 -11.979
   84   HG21  VAL   8          3HG2      VAL   8  11.900   3.336 -14.636
   85   HG22  VAL   8          1HG2      VAL   8  10.232   3.307 -15.209
   86   HG23  VAL   8          2HG2      VAL   8  11.400   4.401 -15.950
   87    H    GLY   9           H        GLY   9   7.157   4.490 -15.303
   88    HA2  GLY   9           2HA      GLY   9   8.095   5.223 -17.970
   89    HA3  GLY   9           3HA      GLY   9   6.700   4.221 -17.597
   90    H    ARG  10           H        ARG  10   7.364   7.373 -16.182
   91    HA   ARG  10           HA       ARG  10   4.844   8.335 -17.327
   92    HB2  ARG  10           2HB      ARG  10   6.395   9.831 -15.248
   93    HB3  ARG  10           3HB      ARG  10   4.660   9.792 -15.528
   94    HG2  ARG  10           2HG      ARG  10   6.277   7.508 -14.418
   95    HG3  ARG  10           3HG      ARG  10   5.332   8.647 -13.456
   96    HD2  ARG  10           2HD      ARG  10   3.612   7.697 -15.461
   97    HD3  ARG  10           3HD      ARG  10   4.475   6.287 -14.849
   98    HE   ARG  10           HE       ARG  10   3.653   7.680 -12.624
   99   HH11  ARG  10          1HH1      ARG  10   2.129   6.190 -15.376
  100   HH12  ARG  10          2HH1      ARG  10   0.666   5.815 -14.527
  101   HH21  ARG  10          1HH2      ARG  10   1.732   7.192 -11.496
  102   HH22  ARG  10          2HH2      ARG  10   0.441   6.386 -12.320
  Start of MODEL    9
    1    H1   LEU   1           H        LEU   1   1.219  -0.029   0.716
    2    HA   LEU   1           HA       LEU   1   1.221   0.877  -2.059
    3    HB2  LEU   1           2HB      LEU   1   2.978   1.476  -0.260
    4    HB3  LEU   1           3HB      LEU   1   3.614  -0.138  -0.570
    5    HG   LEU   1           HG       LEU   1   3.230   1.472  -2.986
    6   HD11  LEU   1          1HD1      LEU   1   3.999   3.055  -1.034
    7   HD12  LEU   1          2HD1      LEU   1   4.741   3.149  -2.631
    8   HD13  LEU   1          3HD1      LEU   1   5.560   2.289  -1.327
    9   HD21  LEU   1          3HD2      LEU   1   4.753  -0.715  -2.098
   10   HD22  LEU   1          1HD2      LEU   1   5.901   0.572  -2.470
   11   HD23  LEU   1          2HD2      LEU   1   4.758   0.028  -3.698
   12    H    TYR   2           H        TYR   2   2.643  -0.466  -3.578
   13    HA   TYR   2           HA       TYR   2   2.064  -3.329  -3.188
   14    HB2  TYR   2           2HB      TYR   2   2.178  -2.965  -5.931
   15    HB3  TYR   2           3HB      TYR   2   0.714  -3.159  -4.972
   16    HD1  TYR   2           HD2      TYR   2   3.112  -0.390  -5.755
   17    HD2  TYR   2           HD1      TYR   2  -0.944  -1.635  -5.431
   18    HE1  TYR   2           HE2      TYR   2   2.375   1.855  -6.437
   19    HE2  TYR   2           HE1      TYR   2  -1.692   0.607  -6.113
   20    HH   TYR   2           HH       TYR   2  -0.061   3.219  -5.950
   21    H    ARG   3           H        ARG   3   3.658  -2.058  -6.003
   22    HA   ARG   3           HA       ARG   3   6.325  -2.184  -5.163
   23    HB2  ARG   3           2HB      ARG   3   7.073  -4.316  -5.773
   24    HB3  ARG   3           3HB      ARG   3   5.571  -4.631  -4.914
   25    HG2  ARG   3           2HG      ARG   3   5.883  -4.534  -7.908
   26    HG3  ARG   3           3HG      ARG   3   5.789  -5.999  -6.929
   27    HD2  ARG   3           2HD      ARG   3   3.565  -4.799  -6.083
   28    HD3  ARG   3           3HD      ARG   3   3.668  -4.070  -7.685
   29    HE   ARG   3           HE       ARG   3   4.018  -6.760  -8.092
   30   HH11  ARG   3          1HH1      ARG   3   1.559  -4.741  -6.679
   31   HH12  ARG   3          2HH1      ARG   3   0.259  -5.810  -7.094
   32   HH21  ARG   3          1HH2      ARG   3   2.317  -8.175  -8.643
   33   HH22  ARG   3          2HH2      ARG   3   0.692  -7.763  -8.210
   34    H    ARG   4           H        ARG   4   4.212  -1.059  -7.100
   35    HA   ARG   4           HA       ARG   4   5.948  -1.063  -9.482
   36    HB2  ARG   4           2HB      ARG   4   2.948  -1.062  -9.262
   37    HB3  ARG   4           3HB      ARG   4   3.756  -0.463 -10.705
   38    HG2  ARG   4           2HG      ARG   4   4.042  -2.521 -11.469
   39    HG3  ARG   4           3HG      ARG   4   4.821  -3.024  -9.967
   40    HD2  ARG   4           2HD      ARG   4   3.041  -4.308  -9.596
   41    HD3  ARG   4           3HD      ARG   4   2.133  -2.823  -9.313
   42    HE   ARG   4           HE       ARG   4   2.008  -4.528 -11.640
   43   HH11  ARG   4          1HH1      ARG   4   1.352  -1.376 -10.316
   44   HH12  ARG   4          2HH1      ARG   4   0.138  -0.991 -11.491
   45   HH21  ARG   4          1HH2      ARG   4   0.412  -4.033 -13.193
   46   HH22  ARG   4          2HH2      ARG   4  -0.396  -2.503 -13.127
   47    H    ARG   5           H        ARG   5   5.052   0.734  -6.930
   48    HA   ARG   5           HA       ARG   5   4.160   3.175  -7.682
   49    HB2  ARG   5           2HB      ARG   5   5.413   4.138  -5.858
   50    HB3  ARG   5           3HB      ARG   5   4.846   2.544  -5.379
   51    HG2  ARG   5           2HG      ARG   5   7.309   1.985  -6.420
   52    HG3  ARG   5           3HG      ARG   5   7.563   3.563  -5.670
   53    HD2  ARG   5           2HD      ARG   5   6.395   2.574  -3.622
   54    HD3  ARG   5           3HD      ARG   5   6.633   1.008  -4.395
   55    HE   ARG   5           HE       ARG   5   8.623   2.620  -3.104
   56   HH11  ARG   5          1HH1      ARG   5   8.063   0.182  -5.526
   57   HH12  ARG   5          2HH1      ARG   5   9.671  -0.458  -5.441
   58   HH21  ARG   5          1HH2      ARG   5  10.743   1.786  -2.982
   59   HH22  ARG   5          2HH2      ARG   5  11.194   0.455  -3.993
   60    H    PHE   6           H        PHE   6   7.331   1.828  -8.341
   61    HA   PHE   6           HA       PHE   6   8.661   4.135  -9.173
   62    HB2  PHE   6           2HB      PHE   6  10.321   2.675  -9.513
   63    HB3  PHE   6           3HB      PHE   6   9.195   1.379  -9.121
   64    HD1  PHE   6           HD1      PHE   6   7.667   0.606 -11.116
   65    HD2  PHE   6           HD2      PHE   6  11.383   2.636 -11.549
   66    HE1  PHE   6           HE1      PHE   6   7.875  -0.270 -13.406
   67    HE2  PHE   6           HE2      PHE   6  11.596   1.764 -13.839
   68    HZ   PHE   6           HZ       PHE   6   9.841   0.310 -14.771
   69    H    VAL   7           H        VAL   7   6.707   1.840 -11.051
   70    HA   VAL   7           HA       VAL   7   6.432   2.005 -13.435
   71    HB   VAL   7           HB       VAL   7   4.388   3.634 -13.567
   72   HG11  VAL   7          1HG1      VAL   7   4.487   1.072 -13.377
   73   HG12  VAL   7          2HG1      VAL   7   4.081   1.326 -11.678
   74   HG13  VAL   7          3HG1      VAL   7   2.983   1.883 -12.942
   75   HG21  VAL   7          3HG2      VAL   7   3.988   3.254 -10.705
   76   HG22  VAL   7          1HG2      VAL   7   5.315   4.354 -11.082
   77   HG23  VAL   7          2HG2      VAL   7   3.698   4.674 -11.711
   78    H    VAL   8           H        VAL   8   8.698   3.535 -12.998
   79    HA   VAL   8           HA       VAL   8   8.513   6.240 -13.685
   80    HB   VAL   8           HB       VAL   8  10.836   6.194 -14.139
   81   HG11  VAL   8          1HG1      VAL   8   9.978   4.267 -12.015
   82   HG12  VAL   8          2HG1      VAL   8  11.689   4.596 -12.293
   83   HG13  VAL   8          3HG1      VAL   8  10.598   5.909 -11.848
   84   HG21  VAL   8          3HG2      VAL   8  11.856   3.717 -14.220
   85   HG22  VAL   8          1HG2      VAL   8  10.288   3.410 -14.966
   86   HG23  VAL   8          2HG2      VAL   8  11.377   4.608 -15.665
   87    H    GLY   9           H        GLY   9   7.094   4.068 -15.410
   88    HA2  GLY   9           2HA      GLY   9   8.125   4.897 -18.037
   89    HA3  GLY   9           3HA      GLY   9   7.081   3.516 -17.739
   90    H    ARG  10           H        ARG  10   6.676   6.827 -16.562
   91    HA   ARG  10           HA       ARG  10   4.012   6.863 -17.752
   92    HB2  ARG  10           2HB      ARG  10   5.112   9.068 -16.047
   93    HB3  ARG  10           3HB      ARG  10   3.451   8.516 -16.213
   94    HG2  ARG  10           2HG      ARG  10   3.755   7.472 -14.277
   95    HG3  ARG  10           3HG      ARG  10   4.739   6.316 -15.178
   96    HD2  ARG  10           2HD      ARG  10   6.681   7.123 -14.349
   97    HD3  ARG  10           3HD      ARG  10   6.105   8.789 -14.338
   98    HE   ARG  10           HE       ARG  10   6.078   6.961 -12.159
   99   HH11  ARG  10          1HH1      ARG  10   4.320   9.598 -13.600
  100   HH12  ARG  10          2HH1      ARG  10   3.603  10.107 -12.108
  101   HH21  ARG  10          1HH2      ARG  10   5.140   7.622 -10.188
  102   HH22  ARG  10          2HH2      ARG  10   4.071   8.983 -10.167
  Start of MODEL   10
    1    H1   LEU   1           H        LEU   1   1.403  -0.492   0.711
    2    HA   LEU   1           HA       LEU   1   1.560   0.865  -1.897
    3    HB2  LEU   1           2HB      LEU   1   3.436   1.339  -0.181
    4    HB3  LEU   1           3HB      LEU   1   3.972  -0.298  -0.555
    5    HG   LEU   1           HG       LEU   1   3.544   1.378  -2.917
    6   HD11  LEU   1          1HD1      LEU   1   5.196   2.948  -2.622
    7   HD12  LEU   1          2HD1      LEU   1   5.974   2.047  -1.322
    8   HD13  LEU   1          3HD1      LEU   1   4.466   2.910  -1.017
    9   HD21  LEU   1          3HD2      LEU   1   5.062  -0.872  -2.095
   10   HD22  LEU   1          1HD2      LEU   1   6.185   0.375  -2.636
   11   HD23  LEU   1          2HD2      LEU   1   4.903  -0.183  -3.711
   12    H    TYR   2           H        TYR   2   2.833  -0.523  -3.506
   13    HA   TYR   2           HA       TYR   2   2.122  -3.358  -3.129
   14    HB2  TYR   2           2HB      TYR   2   2.121  -2.957  -5.868
   15    HB3  TYR   2           3HB      TYR   2   0.697  -3.083  -4.841
   16    HD1  TYR   2           HD2      TYR   2   3.208  -0.438  -5.692
   17    HD2  TYR   2           HD1      TYR   2  -0.893  -1.465  -5.212
   18    HE1  TYR   2           HE2      TYR   2   2.568   1.855  -6.309
   19    HE2  TYR   2           HE1      TYR   2  -1.545   0.824  -5.829
   20    HH   TYR   2           HH       TYR   2   0.625   3.387  -5.938
   21    H    ARG   3           H        ARG   3   3.642  -2.130  -6.003
   22    HA   ARG   3           HA       ARG   3   6.337  -2.418  -5.291
   23    HB2  ARG   3           2HB      ARG   3   6.934  -4.572  -5.976
   24    HB3  ARG   3           3HB      ARG   3   5.450  -4.826  -5.066
   25    HG2  ARG   3           2HG      ARG   3   5.664  -4.675  -8.067
   26    HG3  ARG   3           3HG      ARG   3   5.500  -6.151  -7.113
   27    HD2  ARG   3           2HD      ARG   3   3.368  -5.041  -6.178
   28    HD3  ARG   3           3HD      ARG   3   3.501  -3.965  -7.568
   29    HE   ARG   3           HE       ARG   3   3.660  -6.413  -8.689
   30   HH11  ARG   3          1HH1      ARG   3   1.418  -4.968  -6.451
   31   HH12  ARG   3          2HH1      ARG   3   0.069  -5.911  -6.992
   32   HH21  ARG   3          1HH2      ARG   3   1.891  -7.660  -9.410
   33   HH22  ARG   3          2HH2      ARG   3   0.339  -7.442  -8.674
   34    H    ARG   4           H        ARG   4   4.194  -1.139  -7.105
   35    HA   ARG   4           HA       ARG   4   5.825  -1.166  -9.560
   36    HB2  ARG   4           2HB      ARG   4   2.841  -1.051  -9.208
   37    HB3  ARG   4           3HB      ARG   4   3.606  -0.435 -10.667
   38    HG2  ARG   4           2HG      ARG   4   3.823  -2.475 -11.505
   39    HG3  ARG   4           3HG      ARG   4   4.581  -3.070 -10.027
   40    HD2  ARG   4           2HD      ARG   4   2.662  -4.364 -10.181
   41    HD3  ARG   4           3HD      ARG   4   2.181  -3.077  -9.075
   42    HE   ARG   4           HE       ARG   4   0.684  -2.331 -10.644
   43   HH11  ARG   4          1HH1      ARG   4   2.898  -4.567 -12.133
   44   HH12  ARG   4          2HH1      ARG   4   2.015  -4.652 -13.622
   45   HH21  ARG   4          1HH2      ARG   4  -0.487  -2.434 -12.598
   46   HH22  ARG   4          2HH2      ARG   4   0.091  -3.438 -13.885
   47    H    ARG   5           H        ARG   5   5.146   0.605  -6.934
   48    HA   ARG   5           HA       ARG   5   4.320   3.099  -7.573
   49    HB2  ARG   5           2HB      ARG   5   5.680   3.957  -5.795
   50    HB3  ARG   5           3HB      ARG   5   5.146   2.346  -5.336
   51    HG2  ARG   5           2HG      ARG   5   7.505   1.769  -6.521
   52    HG3  ARG   5           3HG      ARG   5   7.848   3.367  -5.855
   53    HD2  ARG   5           2HD      ARG   5   6.460   1.926  -3.868
   54    HD3  ARG   5           3HD      ARG   5   7.694   0.845  -4.514
   55    HE   ARG   5           HE       ARG   5   8.628   3.499  -3.864
   56   HH11  ARG   5          1HH1      ARG   5   8.118   0.246  -2.733
   57   HH12  ARG   5          2HH1      ARG   5   9.296   0.362  -1.468
   58   HH21  ARG   5          1HH2      ARG   5  10.181   3.664  -2.203
   59   HH22  ARG   5          2HH2      ARG   5  10.469   2.307  -1.167
   60    H    PHE   6           H        PHE   6   7.390   1.644  -8.450
   61    HA   PHE   6           HA       PHE   6   8.760   3.914  -9.314
   62    HB2  PHE   6           2HB      PHE   6  10.334   2.395  -9.786
   63    HB3  PHE   6           3HB      PHE   6   9.180   1.137  -9.357
   64    HD1  PHE   6           HD2      PHE   6   7.508   0.475 -11.274
   65    HD2  PHE   6           HD1      PHE   6  11.270   2.371 -11.882
   66    HE1  PHE   6           HE2      PHE   6   7.544  -0.348 -13.592
   67    HE2  PHE   6           HE1      PHE   6  11.312   1.551 -14.201
   68    HZ   PHE   6           HZ       PHE   6   9.448   0.189 -15.059
   69    H    VAL   7           H        VAL   7   6.605   1.743 -11.120
   70    HA   VAL   7           HA       VAL   7   6.194   1.979 -13.479
   71    HB   VAL   7           HB       VAL   7   4.214   3.688 -13.450
   72   HG11  VAL   7          1HG1      VAL   7   4.219   1.121 -13.325
   73   HG12  VAL   7          2HG1      VAL   7   3.931   1.346 -11.599
   74   HG13  VAL   7          3HG1      VAL   7   2.779   1.978 -12.775
   75   HG21  VAL   7          3HG2      VAL   7   3.972   3.254 -10.578
   76   HG22  VAL   7          1HG2      VAL   7   5.316   4.311 -11.010
   77   HG23  VAL   7          2HG2      VAL   7   3.679   4.708 -11.532
   78    H    VAL   8           H        VAL   8   8.543   3.408 -13.146
   79    HA   VAL   8           HA       VAL   8   8.423   6.135 -13.762
   80    HB   VAL   8           HB       VAL   8  10.712   6.013 -14.350
   81   HG11  VAL   8          1HG1      VAL   8   9.905   4.066 -12.225
   82   HG12  VAL   8          2HG1      VAL   8  11.609   4.339 -12.594
   83   HG13  VAL   8          3HG1      VAL   8  10.596   5.679 -12.056
   84   HG21  VAL   8          3HG2      VAL   8  11.623   3.495 -14.543
   85   HG22  VAL   8          1HG2      VAL   8  10.007   3.279 -15.216
   86   HG23  VAL   8          2HG2      VAL   8  11.114   4.449 -15.937
   87    H    GLY   9           H        GLY   9   6.810   4.077 -15.442
   88    HA2  GLY   9           2HA      GLY   9   7.729   4.906 -18.110
   89    HA3  GLY   9           3HA      GLY   9   6.630   3.577 -17.775
   90    H    ARG  10           H        ARG  10   6.477   6.882 -16.522
   91    HA   ARG  10           HA       ARG  10   3.761   7.088 -17.582
   92    HB2  ARG  10           2HB      ARG  10   5.010   9.183 -15.849
   93    HB3  ARG  10           3HB      ARG  10   3.331   8.666 -15.941
   94    HG2  ARG  10           2HG      ARG  10   3.757   7.601 -14.029
   95    HG3  ARG  10           3HG      ARG  10   4.565   6.405 -15.045
   96    HD2  ARG  10           2HD      ARG  10   5.970   7.110 -13.162
   97    HD3  ARG  10           3HD      ARG  10   6.692   7.525 -14.716
   98    HE   ARG  10           HE       ARG  10   6.580   9.722 -14.118
   99   HH11  ARG  10          1HH1      ARG  10   4.349   7.918 -12.147
  100   HH12  ARG  10          2HH1      ARG  10   3.933   9.272 -11.149
  101   HH21  ARG  10          1HH2      ARG  10   6.042  11.512 -12.811
  102   HH22  ARG  10          2HH2      ARG  10   4.896  11.316 -11.528
  Start of MODEL   11
    1    H1   LEU   1           H        LEU   1   1.909  -0.051   1.073
    2    HA   LEU   1           HA       LEU   1   1.789   1.053  -1.588
    3    HB2  LEU   1           2HB      LEU   1   3.773   1.067   0.065
    4    HB3  LEU   1           3HB      LEU   1   4.057  -0.577  -0.503
    5    HG   LEU   1           HG       LEU   1   3.793   1.395  -2.652
    6   HD11  LEU   1          1HD1      LEU   1   6.339   1.961  -2.057
    7   HD12  LEU   1          2HD1      LEU   1   5.686   1.827  -0.425
    8   HD13  LEU   1          3HD1      LEU   1   4.985   2.977  -1.563
    9   HD21  LEU   1          3HD2      LEU   1   4.789  -0.333  -3.630
   10   HD22  LEU   1          1HD2      LEU   1   5.105  -1.100  -2.074
   11   HD23  LEU   1          2HD2      LEU   1   6.253   0.068  -2.731
   12    H    TYR   2           H        TYR   2   2.785  -0.286  -3.413
   13    HA   TYR   2           HA       TYR   2   1.712  -3.029  -3.322
   14    HB2  TYR   2           2HB      TYR   2   1.637  -2.305  -5.991
   15    HB3  TYR   2           3HB      TYR   2   0.259  -2.361  -4.897
   16    HD1  TYR   2           HD2      TYR   2   3.070   0.005  -5.620
   17    HD2  TYR   2           HD1      TYR   2  -1.103  -0.511  -4.972
   18    HE1  TYR   2           HE2      TYR   2   2.728   2.420  -5.938
   19    HE2  TYR   2           HE1      TYR   2  -1.457   1.902  -5.289
   20    HH   TYR   2           HH       TYR   2   1.142   4.141  -5.404
   21    H    ARG   3           H        ARG   3   3.245  -1.675  -6.130
   22    HA   ARG   3           HA       ARG   3   5.911  -2.328  -5.654
   23    HB2  ARG   3           2HB      ARG   3   6.053  -4.457  -6.989
   24    HB3  ARG   3           3HB      ARG   3   5.298  -4.618  -5.408
   25    HG2  ARG   3           2HG      ARG   3   3.934  -5.878  -6.793
   26    HG3  ARG   3           3HG      ARG   3   3.078  -4.340  -6.669
   27    HD2  ARG   3           2HD      ARG   3   3.523  -3.760  -8.833
   28    HD3  ARG   3           3HD      ARG   3   5.032  -4.670  -8.880
   29    HE   ARG   3           HE       ARG   3   2.399  -5.634  -9.537
   30   HH11  ARG   3          1HH1      ARG   3   5.627  -6.506  -8.565
   31   HH12  ARG   3          2HH1      ARG   3   5.519  -8.119  -9.187
   32   HH21  ARG   3          1HH2      ARG   3   2.245  -7.755 -10.361
   33   HH22  ARG   3          2HH2      ARG   3   3.595  -8.828 -10.210
   34    H    ARG   4           H        ARG   4   3.948  -0.602  -7.164
   35    HA   ARG   4           HA       ARG   4   5.295  -0.738  -9.782
   36    HB2  ARG   4           2HB      ARG   4   2.430  -0.124  -9.109
   37    HB3  ARG   4           3HB      ARG   4   3.154   0.454 -10.603
   38    HG2  ARG   4           2HG      ARG   4   2.900  -1.521 -11.574
   39    HG3  ARG   4           3HG      ARG   4   3.689  -2.349 -10.230
   40    HD2  ARG   4           2HD      ARG   4   1.496  -2.135  -8.986
   41    HD3  ARG   4           3HD      ARG   4   0.782  -1.627 -10.516
   42    HE   ARG   4           HE       ARG   4   2.176  -4.065 -10.842
   43   HH11  ARG   4          1HH1      ARG   4  -0.740  -2.740  -9.479
   44   HH12  ARG   4          2HH1      ARG   4  -1.642  -4.210  -9.648
   45   HH21  ARG   4          1HH2      ARG   4   0.999  -6.006 -11.071
   46   HH22  ARG   4          2HH2      ARG   4  -0.651  -6.067 -10.553
   47    H    ARG   5           H        ARG   5   5.032   0.965  -6.982
   48    HA   ARG   5           HA       ARG   5   4.690   3.601  -7.485
   49    HB2  ARG   5           2HB      ARG   5   6.189   4.092  -5.682
   50    HB3  ARG   5           3HB      ARG   5   5.368   2.585  -5.300
   51    HG2  ARG   5           2HG      ARG   5   7.572   1.642  -6.542
   52    HG3  ARG   5           3HG      ARG   5   8.210   3.115  -5.809
   53    HD2  ARG   5           2HD      ARG   5   6.504   1.579  -4.012
   54    HD3  ARG   5           3HD      ARG   5   7.919   0.681  -4.561
   55    HE   ARG   5           HE       ARG   5   8.467   3.353  -3.612
   56   HH11  ARG   5          1HH1      ARG   5   8.190  -0.019  -2.791
   57   HH12  ARG   5          2HH1      ARG   5   9.184   0.109  -1.378
   58   HH21  ARG   5          1HH2      ARG   5   9.778   3.535  -1.753
   59   HH22  ARG   5          2HH2      ARG   5  10.086   2.131  -0.788
   60    H    PHE   6           H        PHE   6   7.412   1.631  -8.488
   61    HA   PHE   6           HA       PHE   6   9.191   3.641  -9.252
   62    HB2  PHE   6           2HB      PHE   6  10.445   1.878  -9.820
   63    HB3  PHE   6           3HB      PHE   6   9.074   0.842  -9.436
   64    HD1  PHE   6           HD1      PHE   6   7.296   0.609 -11.359
   65    HD2  PHE   6           HD2      PHE   6  11.348   1.778 -11.929
   66    HE1  PHE   6           HE1      PHE   6   7.162  -0.089 -13.714
   67    HE2  PHE   6           HE2      PHE   6  11.221   1.083 -14.285
   68    HZ   PHE   6           HZ       PHE   6   9.126   0.148 -15.181
   69    H    VAL   7           H        VAL   7   6.653   2.017 -11.131
   70    HA   VAL   7           HA       VAL   7   6.284   2.446 -13.470
   71    HB   VAL   7           HB       VAL   7   4.667   4.497 -13.330
   72   HG11  VAL   7          1HG1      VAL   7   4.182   1.973 -13.328
   73   HG12  VAL   7          2HG1      VAL   7   3.950   2.163 -11.589
   74   HG13  VAL   7          3HG1      VAL   7   2.935   3.061 -12.718
   75   HG21  VAL   7          3HG2      VAL   7   4.357   3.977 -10.480
   76   HG22  VAL   7          1HG2      VAL   7   5.880   4.773 -10.877
   77   HG23  VAL   7          2HG2      VAL   7   4.349   5.505 -11.359
   78    H    VAL   8           H        VAL   8   8.864   3.382 -13.101
   79    HA   VAL   8           HA       VAL   8   9.269   6.108 -13.577
   80    HB   VAL   8           HB       VAL   8  11.487   5.578 -14.214
   81   HG11  VAL   8          1HG1      VAL   8  10.335   3.719 -12.171
   82   HG12  VAL   8          2HG1      VAL   8  12.056   3.674 -12.558
   83   HG13  VAL   8          3HG1      VAL   8  11.328   5.157 -11.938
   84   HG21  VAL   8          3HG2      VAL   8  11.896   2.949 -14.548
   85   HG22  VAL   8          1HG2      VAL   8  10.260   3.076 -15.194
   86   HG23  VAL   8          2HG2      VAL   8  11.558   4.049 -15.884
   87    H    GLY   9           H        GLY   9   7.289   4.465 -15.339
   88    HA2  GLY   9           2HA      GLY   9   8.333   5.101 -17.992
   89    HA3  GLY   9           3HA      GLY   9   6.862   4.207 -17.641
   90    H    ARG  10           H        ARG  10   7.730   7.316 -16.241
   91    HA   ARG  10           HA       ARG  10   5.309   8.449 -17.444
   92    HB2  ARG  10           2HB      ARG  10   6.924   9.847 -15.346
   93    HB3  ARG  10           3HB      ARG  10   5.197   9.934 -15.661
   94    HG2  ARG  10           2HG      ARG  10   6.617   7.547 -14.499
   95    HG3  ARG  10           3HG      ARG  10   5.740   8.762 -13.567
   96    HD2  ARG  10           2HD      ARG  10   3.986   7.934 -15.588
   97    HD3  ARG  10           3HD      ARG  10   4.740   6.462 -14.978
   98    HE   ARG  10           HE       ARG  10   3.965   7.973 -12.776
   99   HH11  ARG  10          1HH1      ARG  10   2.481   6.327 -15.461
  100   HH12  ARG  10          2HH1      ARG  10   1.013   5.984 -14.607
  101   HH21  ARG  10          1HH2      ARG  10   2.037   7.527 -11.642
  102   HH22  ARG  10          2HH2      ARG  10   0.761   6.668 -12.436
  Start of MODEL   12
    1    H1   LEU   1           H        LEU   1   0.244  -0.145   0.323
    2    HA   LEU   1           HA       LEU   1   0.439   0.239  -1.911
    3    HB2  LEU   1           2HB      LEU   1   2.457   1.012  -2.775
    4    HB3  LEU   1           3HB      LEU   1   2.520   1.448  -1.069
    5    HG   LEU   1           HG       LEU   1   3.741  -1.104  -1.381
    6   HD11  LEU   1          1HD1      LEU   1   4.472   0.926  -3.448
    7   HD12  LEU   1          2HD1      LEU   1   4.284  -0.820  -3.608
    8   HD13  LEU   1          3HD1      LEU   1   5.699  -0.156  -2.790
    9   HD21  LEU   1          3HD2      LEU   1   5.290  -0.180  -0.025
   10   HD22  LEU   1          1HD2      LEU   1   4.069   1.079   0.154
   11   HD23  LEU   1          2HD2      LEU   1   5.402   1.300  -0.979
   12    H    TYR   2           H        TYR   2   2.189  -0.728  -3.828
   13    HA   TYR   2           HA       TYR   2   1.921  -3.648  -3.526
   14    HB2  TYR   2           2HB      TYR   2   1.821  -3.259  -6.232
   15    HB3  TYR   2           3HB      TYR   2   0.414  -3.468  -5.194
   16    HD1  TYR   2           HD1      TYR   2   2.709  -0.594  -5.892
   17    HD2  TYR   2           HD2      TYR   2  -1.289  -2.050  -5.822
   18    HE1  TYR   2           HE1      TYR   2   1.894   1.628  -6.560
   19    HE2  TYR   2           HE2      TYR   2  -2.115   0.167  -6.491
   20    HH   TYR   2           HH       TYR   2  -1.116   2.662  -6.215
   21    H    ARG   3           H        ARG   3   3.211  -2.212  -6.398
   22    HA   ARG   3           HA       ARG   3   5.927  -2.071  -5.702
   23    HB2  ARG   3           2HB      ARG   3   6.827  -4.108  -6.546
   24    HB3  ARG   3           3HB      ARG   3   5.547  -4.546  -5.423
   25    HG2  ARG   3           2HG      ARG   3   4.468  -4.296  -8.063
   26    HG3  ARG   3           3HG      ARG   3   5.866  -5.374  -8.081
   27    HD2  ARG   3           2HD      ARG   3   3.449  -5.596  -6.291
   28    HD3  ARG   3           3HD      ARG   3   3.831  -6.631  -7.666
   29    HE   ARG   3           HE       ARG   3   4.926  -6.796  -5.021
   30   HH11  ARG   3          1HH1      ARG   3   5.499  -7.476  -8.387
   31   HH12  ARG   3          2HH1      ARG   3   6.627  -8.754  -8.071
   32   HH21  ARG   3          1HH2      ARG   3   6.408  -8.476  -4.593
   33   HH22  ARG   3          2HH2      ARG   3   7.142  -9.322  -5.913
   34    H    ARG   4           H        ARG   4   3.834  -0.816  -7.349
   35    HA   ARG   4           HA       ARG   4   5.242  -0.849  -9.938
   36    HB2  ARG   4           2HB      ARG   4   3.274  -0.766 -11.108
   37    HB3  ARG   4           3HB      ARG   4   2.743  -1.694  -9.712
   38    HG2  ARG   4           2HG      ARG   4   2.282   0.829  -8.849
   39    HG3  ARG   4           3HG      ARG   4   1.998   1.005 -10.582
   40    HD2  ARG   4           2HD      ARG   4   0.714  -1.061  -8.798
   41    HD3  ARG   4           3HD      ARG   4  -0.052   0.429  -9.348
   42    HE   ARG   4           HE       ARG   4   0.748  -0.854 -11.635
   43   HH11  ARG   4          1HH1      ARG   4  -1.292  -1.625  -8.922
   44   HH12  ARG   4          2HH1      ARG   4  -2.331  -2.670  -9.833
   45   HH21  ARG   4          1HH2      ARG   4  -0.612  -2.227 -12.846
   46   HH22  ARG   4          2HH2      ARG   4  -1.943  -3.012 -12.065
   47    H    ARG   5           H        ARG   5   4.524   0.931  -7.216
   48    HA   ARG   5           HA       ARG   5   3.890   3.467  -7.924
   49    HB2  ARG   5           2HB      ARG   5   5.156   4.255  -6.029
   50    HB3  ARG   5           3HB      ARG   5   4.429   2.707  -5.620
   51    HG2  ARG   5           2HG      ARG   5   6.816   1.870  -6.529
   52    HG3  ARG   5           3HG      ARG   5   7.261   3.458  -5.900
   53    HD2  ARG   5           2HD      ARG   5   5.662   2.465  -3.912
   54    HD3  ARG   5           3HD      ARG   5   6.489   1.017  -4.485
   55    HE   ARG   5           HE       ARG   5   7.616   3.119  -2.947
   56   HH11  ARG   5          1HH1      ARG   5   8.346   0.851  -5.485
   57   HH12  ARG   5          2HH1      ARG   5  10.042   0.806  -5.135
   58   HH21  ARG   5          1HH2      ARG   5   9.847   3.068  -2.476
   59   HH22  ARG   5          2HH2      ARG   5  10.895   2.066  -3.422
   60    H    PHE   6           H        PHE   6   6.911   1.820  -8.561
   61    HA   PHE   6           HA       PHE   6   8.482   4.030  -9.275
   62    HB2  PHE   6           2HB      PHE   6  10.029   2.440  -9.569
   63    HB3  PHE   6           3HB      PHE   6   8.785   1.240  -9.234
   64    HD1  PHE   6           HD1      PHE   6   7.277   0.612 -11.295
   65    HD2  PHE   6           HD2      PHE   6  11.163   2.328 -11.561
   66    HE1  PHE   6           HE1      PHE   6   7.502  -0.261 -13.584
   67    HE2  PHE   6           HE2      PHE   6  11.394   1.458 -13.851
   68    HZ   PHE   6           HZ       PHE   6   9.562   0.162 -14.866
   69    H    VAL   7           H        VAL   7   6.422   1.923 -11.257
   70    HA   VAL   7           HA       VAL   7   6.260   2.132 -13.649
   71    HB   VAL   7           HB       VAL   7   4.365   3.919 -13.848
   72   HG11  VAL   7          1HG1      VAL   7   4.233   1.364 -13.671
   73   HG12  VAL   7          2HG1      VAL   7   3.808   1.638 -11.980
   74   HG13  VAL   7          3HG1      VAL   7   2.791   2.294 -13.264
   75   HG21  VAL   7          3HG2      VAL   7   3.803   3.585 -11.014
   76   HG22  VAL   7          1HG2      VAL   7   5.253   4.544 -11.313
   77   HG23  VAL   7          2HG2      VAL   7   3.712   5.029 -12.022
   78    H    VAL   8           H        VAL   8   8.627   3.461 -13.103
   79    HA   VAL   8           HA       VAL   8   8.697   6.179 -13.764
   80    HB   VAL   8           HB       VAL   8  11.024   5.940 -14.128
   81   HG11  VAL   8          1HG1      VAL   8   9.923   4.075 -12.061
   82   HG12  VAL   8          2HG1      VAL   8  11.666   4.261 -12.268
   83   HG13  VAL   8          3HG1      VAL   8  10.672   5.657 -11.851
   84   HG21  VAL   8          3HG2      VAL   8  11.829   3.381 -14.194
   85   HG22  VAL   8          1HG2      VAL   8  10.276   3.224 -15.015
   86   HG23  VAL   8          2HG2      VAL   8  11.499   4.327 -15.645
   87    H    GLY   9           H        GLY   9   7.173   4.147 -15.571
   88    HA2  GLY   9           2HA      GLY   9   8.376   4.908 -18.144
   89    HA3  GLY   9           3HA      GLY   9   7.203   3.621 -17.904
   90    H    ARG  10           H        ARG  10   7.039   6.942 -16.701
   91    HA   ARG  10           HA       ARG  10   4.440   7.223 -17.998
   92    HB2  ARG  10           2HB      ARG  10   5.654   9.307 -16.220
   93    HB3  ARG  10           3HB      ARG  10   3.960   8.901 -16.460
   94    HG2  ARG  10           2HG      ARG  10   4.096   7.817 -14.526
   95    HG3  ARG  10           3HG      ARG  10   5.012   6.589 -15.403
   96    HD2  ARG  10           2HD      ARG  10   6.981   7.216 -14.488
   97    HD3  ARG  10           3HD      ARG  10   6.552   8.926 -14.479
   98    HE   ARG  10           HE       ARG  10   5.021   7.516 -12.565
   99   HH11  ARG  10          1HH1      ARG  10   8.234   8.721 -13.153
  100   HH12  ARG  10          2HH1      ARG  10   8.615   8.901 -11.473
  101   HH21  ARG  10          1HH2      ARG  10   5.511   7.748 -10.349
  102   HH22  ARG  10          2HH2      ARG  10   7.066   8.346  -9.878
  Start of MODEL   13
    1    H1   LEU   1           H        LEU   1   2.250  -0.746   0.966
    2    HA   LEU   1           HA       LEU   1   1.173   0.730  -1.343
    3    HB2  LEU   1           2HB      LEU   1   3.336   1.034  -2.151
    4    HB3  LEU   1           3HB      LEU   1   3.475   1.311  -0.416
    5    HG   LEU   1           HG       LEU   1   4.026  -1.433  -0.917
    6   HD11  LEU   1          1HD1      LEU   1   6.131  -1.013  -2.292
    7   HD12  LEU   1          2HD1      LEU   1   5.361   0.492  -2.792
    8   HD13  LEU   1          3HD1      LEU   1   4.594  -1.054  -3.156
    9   HD21  LEU   1          3HD2      LEU   1   6.020   0.717  -0.266
   10   HD22  LEU   1          1HD2      LEU   1   6.009  -0.970   0.250
   11   HD23  LEU   1          2HD2      LEU   1   4.823   0.160   0.904
   12    H    TYR   2           H        TYR   2   2.584  -0.466  -3.366
   13    HA   TYR   2           HA       TYR   2   1.653  -3.261  -3.275
   14    HB2  TYR   2           2HB      TYR   2   1.632  -2.550  -5.953
   15    HB3  TYR   2           3HB      TYR   2   0.224  -2.688  -4.906
   16    HD1  TYR   2           HD1      TYR   2   2.910  -0.168  -5.588
   17    HD2  TYR   2           HD2      TYR   2  -1.234  -0.911  -4.972
   18    HE1  TYR   2           HE1      TYR   2   2.438   2.223  -5.919
   19    HE2  TYR   2           HE2      TYR   2  -1.717   1.477  -5.303
   20    HH   TYR   2           HH       TYR   2  -0.476   3.652  -5.089
   21    H    ARG   3           H        ARG   3   3.219  -1.834  -6.034
   22    HA   ARG   3           HA       ARG   3   5.891  -2.353  -5.485
   23    HB2  ARG   3           2HB      ARG   3   6.159  -4.499  -6.806
   24    HB3  ARG   3           3HB      ARG   3   5.439  -4.663  -5.210
   25    HG2  ARG   3           2HG      ARG   3   4.115  -6.027  -6.522
   26    HG3  ARG   3           3HG      ARG   3   3.188  -4.527  -6.457
   27    HD2  ARG   3           2HD      ARG   3   3.315  -5.519  -8.728
   28    HD3  ARG   3           3HD      ARG   3   3.969  -3.884  -8.634
   29    HE   ARG   3           HE       ARG   3   6.029  -5.784  -8.269
   30   HH11  ARG   3          1HH1      ARG   3   3.963  -4.430 -10.722
   31   HH12  ARG   3          2HH1      ARG   3   5.087  -4.715 -12.010
   32   HH21  ARG   3          1HH2      ARG   3   7.517  -6.164  -9.956
   33   HH22  ARG   3          2HH2      ARG   3   7.107  -5.702 -11.573
   34    H    ARG   4           H        ARG   4   3.894  -0.756  -7.077
   35    HA   ARG   4           HA       ARG   4   5.308  -0.881  -9.660
   36    HB2  ARG   4           2HB      ARG   4   2.403  -0.386  -9.064
   37    HB3  ARG   4           3HB      ARG   4   3.135   0.200 -10.552
   38    HG2  ARG   4           2HG      ARG   4   2.993  -1.802 -11.492
   39    HG3  ARG   4           3HG      ARG   4   3.789  -2.570 -10.117
   40    HD2  ARG   4           2HD      ARG   4   1.708  -3.595 -10.149
   41    HD3  ARG   4           3HD      ARG   4   1.500  -2.321  -8.949
   42    HE   ARG   4           HE       ARG   4   0.732  -1.281 -11.413
   43   HH11  ARG   4          1HH1      ARG   4  -0.280  -3.771  -9.199
   44   HH12  ARG   4          2HH1      ARG   4  -1.949  -3.676  -9.652
   45   HH21  ARG   4          1HH2      ARG   4  -1.463  -1.147 -12.017
   46   HH22  ARG   4          2HH2      ARG   4  -2.621  -2.184 -11.255
   47    H    ARG   5           H        ARG   5   4.861   0.873  -6.901
   48    HA   ARG   5           HA       ARG   5   4.434   3.480  -7.493
   49    HB2  ARG   5           2HB      ARG   5   5.843   4.079  -5.641
   50    HB3  ARG   5           3HB      ARG   5   5.032   2.568  -5.249
   51    HG2  ARG   5           2HG      ARG   5   7.336   1.665  -6.373
   52    HG3  ARG   5           3HG      ARG   5   7.879   3.148  -5.586
   53    HD2  ARG   5           2HD      ARG   5   6.550   2.258  -3.548
   54    HD3  ARG   5           3HD      ARG   5   6.645   0.704  -4.375
   55    HE   ARG   5           HE       ARG   5   8.834   0.567  -3.751
   56   HH11  ARG   5          1HH1      ARG   5   7.825   3.893  -3.552
   57   HH12  ARG   5          2HH1      ARG   5   9.309   4.437  -2.842
   58   HH21  ARG   5          1HH2      ARG   5  10.792   1.270  -2.818
   59   HH22  ARG   5          2HH2      ARG   5  10.997   2.944  -2.426
   60    H    PHE   6           H        PHE   6   7.267   1.594  -8.325
   61    HA   PHE   6           HA       PHE   6   9.001   3.662  -9.055
   62    HB2  PHE   6           2HB      PHE   6  10.357   1.940  -9.506
   63    HB3  PHE   6           3HB      PHE   6   9.015   0.856  -9.155
   64    HD1  PHE   6           HD1      PHE   6   7.345   0.487 -11.152
   65    HD2  PHE   6           HD2      PHE   6  11.367   1.817 -11.565
   66    HE1  PHE   6           HE1      PHE   6   7.358  -0.287 -13.487
   67    HE2  PHE   6           HE2      PHE   6  11.386   1.046 -13.901
   68    HZ   PHE   6           HZ       PHE   6   9.379  -0.007 -14.865
   69    H    VAL   7           H        VAL   7   6.631   1.872 -11.002
   70    HA   VAL   7           HA       VAL   7   6.361   2.213 -13.368
   71    HB   VAL   7           HB       VAL   7   4.652   4.192 -13.373
   72   HG11  VAL   7          1HG1      VAL   7   4.274   1.653 -13.310
   73   HG12  VAL   7          2HG1      VAL   7   3.956   1.883 -11.590
   74   HG13  VAL   7          3HG1      VAL   7   2.955   2.701 -12.790
   75   HG21  VAL   7          3HG2      VAL   7   4.221   3.753 -10.527
   76   HG22  VAL   7          1HG2      VAL   7   5.731   4.596 -10.874
   77   HG23  VAL   7          2HG2      VAL   7   4.200   5.251 -11.457
   78    H    VAL   8           H        VAL   8   8.877   3.273 -12.906
   79    HA   VAL   8           HA       VAL   8   9.188   5.999 -13.448
   80    HB   VAL   8           HB       VAL   8  11.456   5.549 -13.961
   81   HG11  VAL   8          1HG1      VAL   8  10.285   3.702 -11.917
   82   HG12  VAL   8          2HG1      VAL   8  12.023   3.723 -12.219
   83   HG13  VAL   8          3HG1      VAL   8  11.203   5.189 -11.683
   84   HG21  VAL   8          3HG2      VAL   8  11.999   2.936 -14.194
   85   HG22  VAL   8          1HG2      VAL   8  10.388   2.961 -14.911
   86   HG23  VAL   8          2HG2      VAL   8  11.666   3.975 -15.579
   87    H    GLY   9           H        GLY   9   7.371   4.217 -15.250
   88    HA2  GLY   9           2HA      GLY   9   8.516   4.820 -17.869
   89    HA3  GLY   9           3HA      GLY   9   7.069   3.872 -17.561
   90    H    ARG  10           H        ARG  10   7.732   7.058 -16.220
   91    HA   ARG  10           HA       ARG  10   5.327   8.045 -17.573
   92    HB2  ARG  10           2HB      ARG  10   6.776   9.576 -15.447
   93    HB3  ARG  10           3HB      ARG  10   5.063   9.576 -15.846
   94    HG2  ARG  10           2HG      ARG  10   6.527   7.291 -14.543
   95    HG3  ARG  10           3HG      ARG  10   5.555   8.493 -13.692
   96    HD2  ARG  10           2HD      ARG  10   3.958   7.504 -15.788
   97    HD3  ARG  10           3HD      ARG  10   4.719   6.103 -15.034
   98    HE   ARG  10           HE       ARG  10   3.659   7.856 -13.073
   99   HH11  ARG  10          1HH1      ARG  10   2.731   5.473 -15.436
  100   HH12  ARG  10          2HH1      ARG  10   1.293   5.004 -14.590
  101   HH21  ARG  10          1HH2      ARG  10   1.769   7.247 -11.950
  102   HH22  ARG  10          2HH2      ARG  10   0.747   6.015 -12.608
  Start of MODEL   14
    1    H1   LEU   1           H        LEU   1   1.880  -0.265   1.121
    2    HA   LEU   1           HA       LEU   1   2.115   1.288  -1.365
    3    HB2  LEU   1           2HB      LEU   1   4.195   1.225   0.168
    4    HB3  LEU   1           3HB      LEU   1   4.347  -0.445  -0.372
    5    HG   LEU   1           HG       LEU   1   4.063   1.484  -2.555
    6   HD11  LEU   1          1HD1      LEU   1   6.010   2.677  -2.324
    7   HD12  LEU   1          2HD1      LEU   1   6.716   1.520  -1.196
    8   HD13  LEU   1          3HD1      LEU   1   5.450   2.621  -0.652
    9   HD21  LEU   1          3HD2      LEU   1   6.460  -0.046  -2.609
   10   HD22  LEU   1          1HD2      LEU   1   5.009  -0.230  -3.595
   11   HD23  LEU   1          2HD2      LEU   1   5.145  -1.086  -2.060
   12    H    TYR   2           H        TYR   2   2.931  -0.169  -3.197
   13    HA   TYR   2           HA       TYR   2   1.685  -2.829  -2.956
   14    HB2  TYR   2           2HB      TYR   2   1.532  -2.186  -5.643
   15    HB3  TYR   2           3HB      TYR   2   0.207  -2.117  -4.487
   16    HD1  TYR   2           HD1      TYR   2   3.131   0.035  -5.408
   17    HD2  TYR   2           HD2      TYR   2  -1.034  -0.184  -4.566
   18    HE1  TYR   2           HE1      TYR   2   2.932   2.456  -5.791
   19    HE2  TYR   2           HE2      TYR   2  -1.245   2.236  -4.949
   20    HH   TYR   2           HH       TYR   2   0.185   4.237  -4.909
   21    H    ARG   3           H        ARG   3   3.174  -1.670  -5.874
   22    HA   ARG   3           HA       ARG   3   5.802  -2.555  -5.464
   23    HB2  ARG   3           2HB      ARG   3   5.880  -4.715  -6.327
   24    HB3  ARG   3           3HB      ARG   3   4.423  -4.744  -5.343
   25    HG2  ARG   3           2HG      ARG   3   4.542  -4.404  -8.333
   26    HG3  ARG   3           3HG      ARG   3   4.055  -5.859  -7.461
   27    HD2  ARG   3           2HD      ARG   3   2.219  -4.523  -6.419
   28    HD3  ARG   3           3HD      ARG   3   2.657  -3.189  -7.486
   29    HE   ARG   3           HE       ARG   3   1.588  -4.263  -9.196
   30   HH11  ARG   3          1HH1      ARG   3   2.196  -6.543  -6.637
   31   HH12  ARG   3          2HH1      ARG   3   1.280  -7.815  -7.375
   32   HH21  ARG   3          1HH2      ARG   3   0.379  -5.929 -10.178
   33   HH22  ARG   3          2HH2      ARG   3   0.247  -7.464  -9.390
   34    H    ARG   4           H        ARG   4   3.766  -0.755  -6.978
   35    HA   ARG   4           HA       ARG   4   5.145  -0.876  -9.580
   36    HB2  ARG   4           2HB      ARG   4   2.338   0.038  -8.938
   37    HB3  ARG   4           3HB      ARG   4   3.113   0.273 -10.499
   38    HG2  ARG   4           2HG      ARG   4   2.167  -2.249  -9.217
   39    HG3  ARG   4           3HG      ARG   4   1.865  -1.632 -10.843
   40    HD2  ARG   4           2HD      ARG   4   4.443  -1.927 -11.121
   41    HD3  ARG   4           3HD      ARG   4   4.271  -3.029  -9.755
   42    HE   ARG   4           HE       ARG   4   2.349  -3.673 -11.697
   43   HH11  ARG   4          1HH1      ARG   4   5.793  -3.779 -11.197
   44   HH12  ARG   4          2HH1      ARG   4   6.033  -5.145 -12.235
   45   HH21  ARG   4          1HH2      ARG   4   2.653  -5.472 -13.066
   46   HH22  ARG   4          2HH2      ARG   4   4.246  -6.107 -13.298
   47    H    ARG   5           H        ARG   5   5.106   0.757  -6.773
   48    HA   ARG   5           HA       ARG   5   4.815   3.418  -7.156
   49    HB2  ARG   5           2HB      ARG   5   6.464   3.797  -5.462
   50    HB3  ARG   5           3HB      ARG   5   5.632   2.298  -5.069
   51    HG2  ARG   5           2HG      ARG   5   7.698   1.340  -6.513
   52    HG3  ARG   5           3HG      ARG   5   8.439   2.772  -5.795
   53    HD2  ARG   5           2HD      ARG   5   6.957   1.515  -3.756
   54    HD3  ARG   5           3HD      ARG   5   7.845   0.242  -4.592
   55    HE   ARG   5           HE       ARG   5   9.414   2.565  -3.897
   56   HH11  ARG   5          1HH1      ARG   5   8.296  -0.583  -2.917
   57   HH12  ARG   5          2HH1      ARG   5   9.586  -0.833  -1.788
   58   HH21  ARG   5          1HH2      ARG   5  11.117   2.247  -2.414
   59   HH22  ARG   5          2HH2      ARG   5  11.190   0.777  -1.501
   60    H    PHE   6           H        PHE   6   7.396   1.410  -8.429
   61    HA   PHE   6           HA       PHE   6   9.168   3.393  -9.266
   62    HB2  PHE   6           2HB      PHE   6  10.316   1.615  -9.993
   63    HB3  PHE   6           3HB      PHE   6   8.946   0.607  -9.540
   64    HD1  PHE   6           HD1      PHE   6   7.018   0.498 -11.323
   65    HD2  PHE   6           HD2      PHE   6  11.049   1.571 -12.169
   66    HE1  PHE   6           HE1      PHE   6   6.680  -0.106 -13.684
   67    HE2  PHE   6           HE2      PHE   6  10.717   0.970 -14.531
   68    HZ   PHE   6           HZ       PHE   6   8.530   0.131 -15.292
   69    H    VAL   7           H        VAL   7   6.441   1.915 -10.995
   70    HA   VAL   7           HA       VAL   7   5.904   2.442 -13.281
   71    HB   VAL   7           HB       VAL   7   4.369   4.532 -12.940
   72   HG11  VAL   7          1HG1      VAL   7   3.806   2.024 -12.990
   73   HG12  VAL   7          2HG1      VAL   7   3.716   2.155 -11.232
   74   HG13  VAL   7          3HG1      VAL   7   2.645   3.123 -12.246
   75   HG21  VAL   7          3HG2      VAL   7   4.268   3.911 -10.095
   76   HG22  VAL   7          1HG2      VAL   7   5.777   4.681 -10.584
   77   HG23  VAL   7          2HG2      VAL   7   4.235   5.472 -10.915
   78    H    VAL   8           H        VAL   8   8.534   3.289 -13.084
   79    HA   VAL   8           HA       VAL   8   8.986   6.018 -13.493
   80    HB   VAL   8           HB       VAL   8  11.129   5.450 -14.323
   81   HG11  VAL   8          1HG1      VAL   8  10.082   3.548 -12.262
   82   HG12  VAL   8          2HG1      VAL   8  11.766   3.468 -12.786
   83   HG13  VAL   8          3HG1      VAL   8  11.137   4.947 -12.058
   84   HG21  VAL   8          3HG2      VAL   8  11.431   2.827 -14.783
   85   HG22  VAL   8          1HG2      VAL   8   9.752   3.019 -15.287
   86   HG23  VAL   8          2HG2      VAL   8  11.017   3.984 -16.048
   87    H    GLY   9           H        GLY   9   6.824   4.499 -15.151
   88    HA2  GLY   9           2HA      GLY   9   7.677   5.210 -17.853
   89    HA3  GLY   9           3HA      GLY   9   6.214   4.339 -17.421
   90    H    ARG  10           H        ARG  10   7.275   7.371 -15.981
   91    HA   ARG  10           HA       ARG  10   4.810   8.614 -16.976
   92    HB2  ARG  10           2HB      ARG  10   6.546   9.898 -14.911
   93    HB3  ARG  10           3HB      ARG  10   4.800   9.968 -15.103
   94    HG2  ARG  10           2HG      ARG  10   6.345   7.569 -14.141
   95    HG3  ARG  10           3HG      ARG  10   5.479   8.711 -13.111
   96    HD2  ARG  10           2HD      ARG  10   4.354   6.786 -15.127
   97    HD3  ARG  10           3HD      ARG  10   4.032   6.869 -13.396
   98    HE   ARG  10           HE       ARG  10   3.152   9.259 -14.282
   99   HH11  ARG  10          1HH1      ARG  10   2.565   5.985 -15.312
  100   HH12  ARG  10          2HH1      ARG  10   0.963   6.314 -15.883
  101   HH21  ARG  10          1HH2      ARG  10   1.043   9.704 -15.030
  102   HH22  ARG  10          2HH2      ARG  10   0.098   8.429 -15.723
  Start of MODEL   15
    1    H1   LEU   1           H        LEU   1   1.530   0.243   0.901
    2    HA   LEU   1           HA       LEU   1   1.461   1.314  -1.789
    3    HB2  LEU   1           2HB      LEU   1   3.429   1.366  -0.119
    4    HB3  LEU   1           3HB      LEU   1   3.703  -0.300  -0.626
    5    HG   LEU   1           HG       LEU   1   3.479   1.598  -2.846
    6   HD11  LEU   1          1HD1      LEU   1   5.882   1.786  -1.041
    7   HD12  LEU   1          2HD1      LEU   1   4.592   2.987  -1.096
    8   HD13  LEU   1          3HD1      LEU   1   5.578   2.686  -2.527
    9   HD21  LEU   1          3HD2      LEU   1   4.559  -0.089  -3.797
   10   HD22  LEU   1          1HD2      LEU   1   4.656  -0.913  -2.240
   11   HD23  LEU   1          2HD2      LEU   1   5.941   0.189  -2.735
   12    H    TYR   2           H        TYR   2   2.475  -0.099  -3.554
   13    HA   TYR   2           HA       TYR   2   1.357  -2.821  -3.389
   14    HB2  TYR   2           2HB      TYR   2   1.338  -2.208  -6.078
   15    HB3  TYR   2           3HB      TYR   2  -0.058  -2.166  -5.007
   16    HD1  TYR   2           HD2      TYR   2   2.851   0.083  -5.718
   17    HD2  TYR   2           HD1      TYR   2  -1.363  -0.292  -5.268
   18    HE1  TYR   2           HE2      TYR   2   2.596   2.490  -6.156
   19    HE2  TYR   2           HE1      TYR   2  -1.630   2.113  -5.706
   20    HH   TYR   2           HH       TYR   2   1.081   4.266  -5.855
   21    H    ARG   3           H        ARG   3   2.957  -1.616  -6.221
   22    HA   ARG   3           HA       ARG   3   5.604  -2.320  -5.644
   23    HB2  ARG   3           2HB      ARG   3   5.851  -4.480  -6.626
   24    HB3  ARG   3           3HB      ARG   3   4.544  -4.593  -5.455
   25    HG2  ARG   3           2HG      ARG   3   3.492  -3.903  -8.031
   26    HG3  ARG   3           3HG      ARG   3   4.503  -5.344  -8.149
   27    HD2  ARG   3           2HD      ARG   3   2.190  -4.921  -6.260
   28    HD3  ARG   3           3HD      ARG   3   2.202  -5.961  -7.684
   29    HE   ARG   3           HE       ARG   3   3.240  -6.580  -5.097
   30   HH11  ARG   3          1HH1      ARG   3   3.640  -7.173  -8.505
   31   HH12  ARG   3          2HH1      ARG   3   4.385  -8.721  -8.281
   32   HH21  ARG   3          1HH2      ARG   3   4.219  -8.617  -4.790
   33   HH22  ARG   3          2HH2      ARG   3   4.713  -9.542  -6.167
   34    H    ARG   4           H        ARG   4   3.670  -0.594  -7.255
   35    HA   ARG   4           HA       ARG   4   5.124  -0.760  -9.814
   36    HB2  ARG   4           2HB      ARG   4   2.282   0.137  -9.308
   37    HB3  ARG   4           3HB      ARG   4   3.115   0.304 -10.847
   38    HG2  ARG   4           2HG      ARG   4   2.166  -2.174  -9.474
   39    HG3  ARG   4           3HG      ARG   4   1.865  -1.623 -11.123
   40    HD2  ARG   4           2HD      ARG   4   4.508  -1.868 -11.268
   41    HD3  ARG   4           3HD      ARG   4   4.211  -3.040  -9.984
   42    HE   ARG   4           HE       ARG   4   3.685  -3.391 -12.742
   43   HH11  ARG   4          1HH1      ARG   4   2.385  -4.104  -9.591
   44   HH12  ARG   4          2HH1      ARG   4   1.554  -5.531 -10.114
   45   HH21  ARG   4          1HH2      ARG   4   2.595  -5.268 -13.441
   46   HH22  ARG   4          2HH2      ARG   4   1.675  -6.193 -12.304
   47    H    ARG   5           H        ARG   5   4.888   0.946  -7.040
   48    HA   ARG   5           HA       ARG   5   4.584   3.589  -7.524
   49    HB2  ARG   5           2HB      ARG   5   6.130   4.046  -5.744
   50    HB3  ARG   5           3HB      ARG   5   5.263   2.567  -5.351
   51    HG2  ARG   5           2HG      ARG   5   7.433   1.569  -6.632
   52    HG3  ARG   5           3HG      ARG   5   8.114   3.005  -5.864
   53    HD2  ARG   5           2HD      ARG   5   7.122   2.242  -3.711
   54    HD3  ARG   5           3HD      ARG   5   6.628   0.754  -4.519
   55    HE   ARG   5           HE       ARG   5   9.263   0.813  -5.015
   56   HH11  ARG   5          1HH1      ARG   5   7.435   1.247  -2.084
   57   HH12  ARG   5          2HH1      ARG   5   8.681   0.616  -1.059
   58   HH21  ARG   5          1HH2      ARG   5  10.911  -0.020  -3.676
   59   HH22  ARG   5          2HH2      ARG   5  10.658  -0.104  -1.966
   60    H    PHE   6           H        PHE   6   7.270   1.586  -8.562
   61    HA   PHE   6           HA       PHE   6   9.069   3.571  -9.337
   62    HB2  PHE   6           2HB      PHE   6  10.287   1.792  -9.933
   63    HB3  PHE   6           3HB      PHE   6   8.905   0.775  -9.540
   64    HD1  PHE   6           HD2      PHE   6   7.102   0.584 -11.443
   65    HD2  PHE   6           HD1      PHE   6  11.165   1.696 -12.052
   66    HE1  PHE   6           HE2      PHE   6   6.930  -0.095 -13.802
   67    HE2  PHE   6           HE1      PHE   6  11.000   1.020 -14.412
   68    HZ   PHE   6           HZ       PHE   6   8.881   0.122 -15.290
   69    H    VAL   7           H        VAL   7   6.484   2.001 -11.199
   70    HA   VAL   7           HA       VAL   7   6.096   2.452 -13.530
   71    HB   VAL   7           HB       VAL   7   4.513   4.528 -13.356
   72   HG11  VAL   7          1HG1      VAL   7   3.989   2.011 -13.368
   73   HG12  VAL   7          2HG1      VAL   7   3.778   2.192 -11.625
   74   HG13  VAL   7          3HG1      VAL   7   2.766   3.114 -12.738
   75   HG21  VAL   7          3HG2      VAL   7   4.229   3.988 -10.507
   76   HG22  VAL   7          1HG2      VAL   7   5.757   4.767 -10.917
   77   HG23  VAL   7          2HG2      VAL   7   4.230   5.524 -11.374
   78    H    VAL   8           H        VAL   8   8.694   3.345 -13.184
   79    HA   VAL   8           HA       VAL   8   9.136   6.069 -13.645
   80    HB   VAL   8           HB       VAL   8  11.338   5.509 -14.311
   81   HG11  VAL   8          1HG1      VAL   8  10.181   3.653 -12.268
   82   HG12  VAL   8          2HG1      VAL   8  11.897   3.585 -12.675
   83   HG13  VAL   8          3HG1      VAL   8  11.198   5.074 -12.036
   84   HG21  VAL   8          3HG2      VAL   8  11.704   2.877 -14.668
   85   HG22  VAL   8          1HG2      VAL   8  10.062   3.031 -15.293
   86   HG23  VAL   8          2HG2      VAL   8  11.365   3.991 -15.993
   87    H    GLY   9           H        GLY   9   7.111   4.468 -15.396
   88    HA2  GLY   9           2HA      GLY   9   8.135   5.107 -18.057
   89    HA3  GLY   9           3HA      GLY   9   6.654   4.234 -17.695
   90    H    ARG  10           H        ARG  10   7.586   7.319 -16.283
   91    HA   ARG  10           HA       ARG  10   5.171   8.499 -17.452
   92    HB2  ARG  10           2HB      ARG  10   6.830   9.855 -15.361
   93    HB3  ARG  10           3HB      ARG  10   5.101   9.972 -15.657
   94    HG2  ARG  10           2HG      ARG  10   6.496   7.554 -14.528
   95    HG3  ARG  10           3HG      ARG  10   5.647   8.776 -13.578
   96    HD2  ARG  10           2HD      ARG  10   3.861   7.990 -15.587
   97    HD3  ARG  10           3HD      ARG  10   4.596   6.502 -14.992
   98    HE   ARG  10           HE       ARG  10   3.506   6.794 -12.992
   99   HH11  ARG  10          1HH1      ARG  10   3.309   9.722 -14.866
  100   HH12  ARG  10          2HH1      ARG  10   2.161  10.476 -13.809
  101   HH21  ARG  10          1HH2      ARG  10   1.995   7.776 -11.593
  102   HH22  ARG  10          2HH2      ARG  10   1.415   9.368 -11.947
  Start of MODEL   16
    1    H1   LEU   1           H        LEU   1   1.658   0.100   0.988
    2    HA   LEU   1           HA       LEU   1   1.673   1.414  -1.637
    3    HB2  LEU   1           2HB      LEU   1   3.670   1.433  -0.002
    4    HB3  LEU   1           3HB      LEU   1   3.913  -0.233  -0.520
    5    HG   LEU   1           HG       LEU   1   3.675   1.677  -2.728
    6   HD11  LEU   1          1HD1      LEU   1   5.794   2.735  -2.441
    7   HD12  LEU   1          2HD1      LEU   1   6.112   1.824  -0.965
    8   HD13  LEU   1          3HD1      LEU   1   4.837   3.042  -0.992
    9   HD21  LEU   1          3HD2      LEU   1   4.715  -0.021  -3.704
   10   HD22  LEU   1          1HD2      LEU   1   4.830  -0.852  -2.153
   11   HD23  LEU   1          2HD2      LEU   1   6.120   0.235  -2.668
   12    H    TYR   2           H        TYR   2   2.636  -0.003  -3.426
   13    HA   TYR   2           HA       TYR   2   1.487  -2.712  -3.252
   14    HB2  TYR   2           2HB      TYR   2   1.428  -2.087  -5.938
   15    HB3  TYR   2           3HB      TYR   2   0.052  -2.033  -4.842
   16    HD1  TYR   2           HD1      TYR   2   2.975   0.184  -5.597
   17    HD2  TYR   2           HD2      TYR   2  -1.234  -0.141  -5.065
   18    HE1  TYR   2           HE1      TYR   2   2.741   2.595  -6.020
   19    HE2  TYR   2           HE2      TYR   2  -1.479   2.269  -5.488
   20    HH   TYR   2           HH       TYR   2   1.048   4.415  -5.412
   21    H    ARG   3           H        ARG   3   3.051  -1.515  -6.107
   22    HA   ARG   3           HA       ARG   3   5.699  -2.254  -5.581
   23    HB2  ARG   3           2HB      ARG   3   5.901  -4.413  -6.581
   24    HB3  ARG   3           3HB      ARG   3   4.620  -4.515  -5.380
   25    HG2  ARG   3           2HG      ARG   3   3.524  -3.802  -7.935
   26    HG3  ARG   3           3HG      ARG   3   4.506  -5.263  -8.069
   27    HD2  ARG   3           2HD      ARG   3   3.218  -5.988  -5.922
   28    HD3  ARG   3           3HD      ARG   3   2.054  -4.765  -6.434
   29    HE   ARG   3           HE       ARG   3   1.386  -6.159  -8.122
   30   HH11  ARG   3          1HH1      ARG   3   4.433  -7.274  -6.860
   31   HH12  ARG   3          2HH1      ARG   3   4.418  -8.749  -7.768
   32   HH21  ARG   3          1HH2      ARG   3   1.354  -8.098  -9.323
   33   HH22  ARG   3          2HH2      ARG   3   2.667  -9.216  -9.170
   34    H    ARG   4           H        ARG   4   3.757  -0.498  -7.151
   35    HA   ARG   4           HA       ARG   4   5.162  -0.672  -9.736
   36    HB2  ARG   4           2HB      ARG   4   2.341   0.258  -9.175
   37    HB3  ARG   4           3HB      ARG   4   3.148   0.420 -10.729
   38    HG2  ARG   4           2HG      ARG   4   2.194  -2.051  -9.348
   39    HG3  ARG   4           3HG      ARG   4   1.869  -1.489 -10.989
   40    HD2  ARG   4           2HD      ARG   4   4.506  -1.767 -11.183
   41    HD3  ARG   4           3HD      ARG   4   4.218  -2.939  -9.898
   42    HE   ARG   4           HE       ARG   4   3.637  -3.274 -12.647
   43   HH11  ARG   4          1HH1      ARG   4   2.387  -3.982  -9.476
   44   HH12  ARG   4          2HH1      ARG   4   1.529  -5.397  -9.987
   45   HH21  ARG   4          1HH2      ARG   4   2.512  -5.135 -13.333
   46   HH22  ARG   4          2HH2      ARG   4   1.601  -6.053 -12.181
   47    H    ARG   5           H        ARG   5   4.997   1.026  -6.953
   48    HA   ARG   5           HA       ARG   5   4.718   3.675  -7.423
   49    HB2  ARG   5           2HB      ARG   5   6.299   4.106  -5.667
   50    HB3  ARG   5           3HB      ARG   5   5.422   2.636  -5.264
   51    HG2  ARG   5           2HG      ARG   5   7.558   1.619  -6.588
   52    HG3  ARG   5           3HG      ARG   5   8.268   3.043  -5.825
   53    HD2  ARG   5           2HD      ARG   5   7.309   2.282  -3.659
   54    HD3  ARG   5           3HD      ARG   5   6.774   0.806  -4.463
   55    HE   ARG   5           HE       ARG   5   9.399   0.824  -5.011
   56   HH11  ARG   5          1HH1      ARG   5   7.637   1.275  -2.042
   57   HH12  ARG   5          2HH1      ARG   5   8.893   0.618  -1.045
   58   HH21  ARG   5          1HH2      ARG   5  11.059  -0.043  -3.708
   59   HH22  ARG   5          2HH2      ARG   5  10.839  -0.130  -1.994
   60    H    PHE   6           H        PHE   6   7.360   1.642  -8.514
   61    HA   PHE   6           HA       PHE   6   9.169   3.608  -9.314
   62    HB2  PHE   6           2HB      PHE   6  10.354   1.815  -9.936
   63    HB3  PHE   6           3HB      PHE   6   8.965   0.815  -9.524
   64    HD1  PHE   6           HD1      PHE   6   7.128   0.653 -11.396
   65    HD2  PHE   6           HD2      PHE   6  11.194   1.715 -12.071
   66    HE1  PHE   6           HE1      PHE   6   6.907  -0.014 -13.753
   67    HE2  PHE   6           HE2      PHE   6  10.979   1.051 -14.430
   68    HZ   PHE   6           HZ       PHE   6   8.833   0.185 -15.275
   69    H    VAL   7           H        VAL   7   6.533   2.077 -11.136
   70    HA   VAL   7           HA       VAL   7   6.110   2.542 -13.458
   71    HB   VAL   7           HB       VAL   7   4.556   4.637 -13.249
   72   HG11  VAL   7          1HG1      VAL   7   4.001   2.127 -13.261
   73   HG12  VAL   7          2HG1      VAL   7   3.822   2.304 -11.514
   74   HG13  VAL   7          3HG1      VAL   7   2.802   3.242 -12.606
   75   HG21  VAL   7          3HG2      VAL   7   4.315   4.089 -10.397
   76   HG22  VAL   7          1HG2      VAL   7   5.845   4.851 -10.830
   77   HG23  VAL   7          2HG2      VAL   7   4.321   5.628 -11.258
   78    H    VAL   8           H        VAL   8   8.725   3.401 -13.154
   79    HA   VAL   8           HA       VAL   8   9.192   6.120 -13.613
   80    HB   VAL   8           HB       VAL   8  11.375   5.536 -14.319
   81   HG11  VAL   8          1HG1      VAL   8  10.230   3.686 -12.263
   82   HG12  VAL   8          2HG1      VAL   8  11.938   3.598 -12.700
   83   HG13  VAL   8          3HG1      VAL   8  11.270   5.093 -12.044
   84   HG21  VAL   8          3HG2      VAL   8  11.706   2.904 -14.695
   85   HG22  VAL   8          1HG2      VAL   8  10.052   3.075 -15.284
   86   HG23  VAL   8          2HG2      VAL   8  11.349   4.025 -16.009
   87    H    GLY   9           H        GLY   9   7.118   4.553 -15.334
   88    HA2  GLY   9           2HA      GLY   9   8.103   5.190 -18.010
   89    HA3  GLY   9           3HA      GLY   9   6.618   4.332 -17.625
   90    H    ARG  10           H        ARG  10   7.611   7.401 -16.218
   91    HA   ARG  10           HA       ARG  10   5.189   8.613 -17.338
   92    HB2  ARG  10           2HB      ARG  10   6.905   9.944 -15.276
   93    HB3  ARG  10           3HB      ARG  10   5.171  10.081 -15.538
   94    HG2  ARG  10           2HG      ARG  10   6.559   7.643 -14.443
   95    HG3  ARG  10           3HG      ARG  10   5.746   8.873 -13.473
   96    HD2  ARG  10           2HD      ARG  10   3.921   8.096 -15.466
   97    HD3  ARG  10           3HD      ARG  10   4.637   6.610 -14.842
   98    HE   ARG  10           HE       ARG  10   3.951   8.172 -12.651
   99   HH11  ARG  10          1HH1      ARG  10   2.357   6.566 -15.297
  100   HH12  ARG  10          2HH1      ARG  10   0.889   6.294 -14.418
  101   HH21  ARG  10          1HH2      ARG  10   2.023   7.820 -11.484
  102   HH22  ARG  10          2HH2      ARG  10   0.700   7.008 -12.250
  Start of MODEL   17
    1    H1   LEU   1           H        LEU   1   0.720   0.477  -0.364
    2    HA   LEU   1           HA       LEU   1   1.269   1.563  -3.039
    3    HB2  LEU   1           2HB      LEU   1   3.104   1.946  -1.269
    4    HB3  LEU   1           3HB      LEU   1   3.401   0.215  -1.419
    5    HG   LEU   1           HG       LEU   1   3.367   1.638  -3.977
    6   HD11  LEU   1          1HD1      LEU   1   4.365   3.312  -2.347
    7   HD12  LEU   1          2HD1      LEU   1   5.356   2.863  -3.735
    8   HD13  LEU   1          3HD1      LEU   1   5.691   2.166  -2.150
    9   HD21  LEU   1          3HD2      LEU   1   4.503  -0.682  -2.777
   10   HD22  LEU   1          1HD2      LEU   1   5.803   0.312  -3.435
   11   HD23  LEU   1          2HD2      LEU   1   4.480  -0.213  -4.477
   12    H    TYR   2           H        TYR   2   2.424  -0.156  -4.413
   13    HA   TYR   2           HA       TYR   2   1.261  -2.801  -3.833
   14    HB2  TYR   2           2HB      TYR   2   1.445  -2.759  -6.562
   15    HB3  TYR   2           3HB      TYR   2  -0.019  -2.412  -5.649
   16    HD1  TYR   2           HD2      TYR   2   3.061  -0.408  -6.338
   17    HD2  TYR   2           HD1      TYR   2  -1.170  -0.697  -6.679
   18    HE1  TYR   2           HE2      TYR   2   2.992   1.848  -7.317
   19    HE2  TYR   2           HE1      TYR   2  -1.251   1.558  -7.659
   20    HH   TYR   2           HH       TYR   2   0.493   3.047  -8.995
   21    H    ARG   3           H        ARG   3   3.073  -2.231  -6.716
   22    HA   ARG   3           HA       ARG   3   5.620  -3.000  -5.632
   23    HB2  ARG   3           2HB      ARG   3   3.907  -4.977  -7.104
   24    HB3  ARG   3           3HB      ARG   3   5.660  -5.065  -7.213
   25    HG2  ARG   3           2HG      ARG   3   5.529  -6.360  -5.407
   26    HG3  ARG   3           3HG      ARG   3   5.259  -4.860  -4.517
   27    HD2  ARG   3           2HD      ARG   3   2.770  -5.235  -5.132
   28    HD3  ARG   3           3HD      ARG   3   3.270  -6.897  -5.443
   29    HE   ARG   3           HE       ARG   3   4.083  -5.882  -2.874
   30   HH11  ARG   3          1HH1      ARG   3   1.567  -7.476  -4.675
   31   HH12  ARG   3          2HH1      ARG   3   0.865  -8.227  -3.281
   32   HH21  ARG   3          1HH2      ARG   3   3.168  -6.865  -1.030
   33   HH22  ARG   3          2HH2      ARG   3   1.775  -7.878  -1.208
   34    H    ARG   4           H        ARG   4   3.868  -1.312  -7.716
   35    HA   ARG   4           HA       ARG   4   5.971  -1.305  -9.781
   36    HB2  ARG   4           2HB      ARG   4   2.994  -0.982 -10.021
   37    HB3  ARG   4           3HB      ARG   4   4.072  -0.310 -11.238
   38    HG2  ARG   4           2HG      ARG   4   4.340  -2.289 -12.201
   39    HG3  ARG   4           3HG      ARG   4   4.742  -3.055 -10.663
   40    HD2  ARG   4           2HD      ARG   4   2.825  -4.185 -11.293
   41    HD3  ARG   4           3HD      ARG   4   2.192  -2.936 -10.222
   42    HE   ARG   4           HE       ARG   4   1.113  -1.991 -12.011
   43   HH11  ARG   4          1HH1      ARG   4   3.463  -4.288 -13.161
   44   HH12  ARG   4          2HH1      ARG   4   2.917  -4.221 -14.804
   45   HH21  ARG   4          1HH2      ARG   4   0.385  -1.894 -14.170
   46   HH22  ARG   4          2HH2      ARG   4   1.167  -2.858 -15.377
   47    H    ARG   5           H        ARG   5   5.484   0.259  -7.204
   48    HA   ARG   5           HA       ARG   5   4.713   2.831  -7.486
   49    HB2  ARG   5           2HB      ARG   5   6.331   3.453  -5.802
   50    HB3  ARG   5           3HB      ARG   5   5.698   1.856  -5.429
   51    HG2  ARG   5           2HG      ARG   5   7.891   1.240  -6.919
   52    HG3  ARG   5           3HG      ARG   5   8.419   2.699  -6.078
   53    HD2  ARG   5           2HD      ARG   5   7.249   0.241  -4.778
   54    HD3  ARG   5           3HD      ARG   5   8.960   0.664  -4.819
   55    HE   ARG   5           HE       ARG   5   7.303   2.709  -3.672
   56   HH11  ARG   5          1HH1      ARG   5   9.052  -0.235  -3.046
   57   HH12  ARG   5          2HH1      ARG   5   9.250   0.088  -1.355
   58   HH21  ARG   5          1HH2      ARG   5   7.558   3.147  -1.448
   59   HH22  ARG   5          2HH2      ARG   5   8.399   2.012  -0.447
   60    H    PHE   6           H        PHE   6   7.644   1.399  -8.795
   61    HA   PHE   6           HA       PHE   6   9.001   3.704  -9.563
   62    HB2  PHE   6           2HB      PHE   6  10.460   2.203 -10.355
   63    HB3  PHE   6           3HB      PHE   6   9.309   0.939  -9.935
   64    HD1  PHE   6           HD1      PHE   6   7.417   0.542 -11.724
   65    HD2  PHE   6           HD2      PHE   6  11.183   2.355 -12.528
   66    HE1  PHE   6           HE1      PHE   6   7.183  -0.036 -14.104
   67    HE2  PHE   6           HE2      PHE   6  10.955   1.780 -14.909
   68    HZ   PHE   6           HZ       PHE   6   8.953   0.584 -15.700
   69    H    VAL   7           H        VAL   7   6.587   1.811 -11.351
   70    HA   VAL   7           HA       VAL   7   5.953   2.308 -13.618
   71    HB   VAL   7           HB       VAL   7   4.064   4.069 -13.212
   72   HG11  VAL   7          1HG1      VAL   7   4.060   1.445 -13.252
   73   HG12  VAL   7          2HG1      VAL   7   3.758   1.633 -11.523
   74   HG13  VAL   7          3HG1      VAL   7   2.646   2.340 -12.696
   75   HG21  VAL   7          3HG2      VAL   7   4.109   3.354 -10.383
   76   HG22  VAL   7          1HG2      VAL   7   5.431   4.419 -10.860
   77   HG23  VAL   7          2HG2      VAL   7   3.760   4.900 -11.156
   78    H    VAL   8           H        VAL   8   8.386   3.612 -13.386
   79    HA   VAL   8           HA       VAL   8   8.332   6.391 -13.705
   80    HB   VAL   8           HB       VAL   8  10.541   6.250 -14.545
   81   HG11  VAL   8          1HG1      VAL   8   9.865   4.121 -12.552
   82   HG12  VAL   8          2HG1      VAL   8  11.533   4.371 -13.070
   83   HG13  VAL   8          3HG1      VAL   8  10.643   5.683 -12.296
   84   HG21  VAL   8          3HG2      VAL   8  11.313   3.739 -15.087
   85   HG22  VAL   8          1HG2      VAL   8   9.626   3.644 -15.596
   86   HG23  VAL   8          2HG2      VAL   8  10.698   4.845 -16.315
   87    H    GLY   9           H        GLY   9   6.481   4.554 -15.419
   88    HA2  GLY   9           2HA      GLY   9   7.156   5.642 -18.065
   89    HA3  GLY   9           3HA      GLY   9   6.037   4.322 -17.754
   90    H    ARG  10           H        ARG  10   6.150   7.468 -16.144
   91    HA   ARG  10           HA       ARG  10   3.354   7.877 -16.873
   92    HB2  ARG  10           2HB      ARG  10   4.904   9.738 -15.112
   93    HB3  ARG  10           3HB      ARG  10   3.193   9.333 -15.069
   94    HG2  ARG  10           2HG      ARG  10   3.698   8.021 -13.349
   95    HG3  ARG  10           3HG      ARG  10   4.414   6.928 -14.536
   96    HD2  ARG  10           2HD      ARG  10   6.529   7.465 -13.951
   97    HD3  ARG  10           3HD      ARG  10   6.126   9.154 -13.646
   98    HE   ARG  10           HE       ARG  10   5.033   7.392 -11.678
   99   HH11  ARG  10          1HH1      ARG  10   7.905   9.096 -12.660
  100   HH12  ARG  10          2HH1      ARG  10   8.569   9.166 -11.061
  101   HH21  ARG  10          1HH2      ARG  10   5.895   7.477  -9.568
  102   HH22  ARG  10          2HH2      ARG  10   7.425   8.243  -9.303
  Start of MODEL   18
    1    H1   LEU   1           H        LEU   1   1.901   1.147   0.064
    2    HA   LEU   1           HA       LEU   1   0.736   1.560  -2.483
    3    HB2  LEU   1           2HB      LEU   1   2.900   1.639  -3.316
    4    HB3  LEU   1           3HB      LEU   1   3.075   2.189  -1.651
    5    HG   LEU   1           HG       LEU   1   3.489  -0.622  -1.692
    6   HD11  LEU   1          1HD1      LEU   1   5.602  -0.517  -3.135
    7   HD12  LEU   1          2HD1      LEU   1   4.855   0.890  -3.890
    8   HD13  LEU   1          3HD1      LEU   1   4.049  -0.677  -3.955
    9   HD21  LEU   1          3HD2      LEU   1   5.552   1.551  -1.411
   10   HD22  LEU   1          1HD2      LEU   1   5.555  -0.056  -0.684
   11   HD23  LEU   1          2HD2      LEU   1   4.390   1.154  -0.144
   12    H    TYR   2           H        TYR   2   2.107  -0.067  -4.223
   13    HA   TYR   2           HA       TYR   2   1.052  -2.749  -3.606
   14    HB2  TYR   2           2HB      TYR   2   0.999  -2.640  -6.341
   15    HB3  TYR   2           3HB      TYR   2  -0.388  -2.352  -5.295
   16    HD1  TYR   2           HD2      TYR   2   2.575  -0.266  -6.223
   17    HD2  TYR   2           HD1      TYR   2  -1.663  -0.631  -6.151
   18    HE1  TYR   2           HE2      TYR   2   2.370   2.009  -7.132
   19    HE2  TYR   2           HE1      TYR   2  -1.880   1.644  -7.062
   20    HH   TYR   2           HH       TYR   2   0.968   3.675  -7.629
   21    H    ARG   3           H        ARG   3   2.590  -2.087  -6.623
   22    HA   ARG   3           HA       ARG   3   5.243  -2.795  -5.796
   23    HB2  ARG   3           2HB      ARG   3   3.449  -4.830  -7.078
   24    HB3  ARG   3           3HB      ARG   3   5.182  -4.866  -7.376
   25    HG2  ARG   3           2HG      ARG   3   5.295  -6.147  -5.560
   26    HG3  ARG   3           3HG      ARG   3   5.055  -4.655  -4.648
   27    HD2  ARG   3           2HD      ARG   3   2.536  -5.131  -5.000
   28    HD3  ARG   3           3HD      ARG   3   3.064  -6.772  -5.373
   29    HE   ARG   3           HE       ARG   3   2.951  -5.543  -2.793
   30   HH11  ARG   3          1HH1      ARG   3   4.599  -7.932  -4.715
   31   HH12  ARG   3          2HH1      ARG   3   5.091  -8.881  -3.351
   32   HH21  ARG   3          1HH2      ARG   3   3.592  -6.783  -0.989
   33   HH22  ARG   3          2HH2      ARG   3   4.517  -8.227  -1.232
   34    H    ARG   4           H        ARG   4   3.279  -1.134  -7.677
   35    HA   ARG   4           HA       ARG   4   5.086  -1.169 -10.005
   36    HB2  ARG   4           2HB      ARG   4   2.182  -0.338  -9.867
   37    HB3  ARG   4           3HB      ARG   4   3.198  -0.228 -11.298
   38    HG2  ARG   4           2HG      ARG   4   2.192  -2.688  -9.910
   39    HG3  ARG   4           3HG      ARG   4   1.926  -2.175 -11.578
   40    HD2  ARG   4           2HD      ARG   4   4.573  -3.015 -10.398
   41    HD3  ARG   4           3HD      ARG   4   3.543  -4.018 -11.419
   42    HE   ARG   4           HE       ARG   4   5.276  -1.880 -12.265
   43   HH11  ARG   4          1HH1      ARG   4   2.495  -3.817 -13.059
   44   HH12  ARG   4          2HH1      ARG   4   2.638  -3.556 -14.766
   45   HH21  ARG   4          1HH2      ARG   4   5.475  -1.528 -14.510
   46   HH22  ARG   4          2HH2      ARG   4   4.334  -2.254 -15.590
   47    H    ARG   5           H        ARG   5   4.698   0.440  -7.278
   48    HA   ARG   5           HA       ARG   5   4.231   3.074  -7.641
   49    HB2  ARG   5           2HB      ARG   5   5.739   3.549  -5.849
   50    HB3  ARG   5           3HB      ARG   5   5.028   1.972  -5.530
   51    HG2  ARG   5           2HG      ARG   5   7.232   1.212  -6.856
   52    HG3  ARG   5           3HG      ARG   5   7.815   2.711  -6.129
   53    HD2  ARG   5           2HD      ARG   5   6.726   1.746  -3.963
   54    HD3  ARG   5           3HD      ARG   5   6.856   0.207  -4.812
   55    HE   ARG   5           HE       ARG   5   9.341   1.322  -5.020
   56   HH11  ARG   5          1HH1      ARG   5   7.211   0.507  -2.390
   57   HH12  ARG   5          2HH1      ARG   5   8.497   0.195  -1.272
   58   HH21  ARG   5          1HH2      ARG   5  11.044   0.914  -3.558
   59   HH22  ARG   5          2HH2      ARG   5  10.677   0.427  -1.937
   60    H    PHE   6           H        PHE   6   7.044   1.302  -8.774
   61    HA   PHE   6           HA       PHE   6   8.687   3.432  -9.496
   62    HB2  PHE   6           2HB      PHE   6  10.014   1.759 -10.160
   63    HB3  PHE   6           3HB      PHE   6   8.701   0.638  -9.818
   64    HD1  PHE   6           HD2      PHE   6   6.918   0.403 -11.727
   65    HD2  PHE   6           HD1      PHE   6  10.886   1.838 -12.284
   66    HE1  PHE   6           HE2      PHE   6   6.787  -0.173 -14.115
   67    HE2  PHE   6           HE1      PHE   6  10.761   1.265 -14.674
   68    HZ   PHE   6           HZ       PHE   6   8.710   0.257 -15.592
   69    H    VAL   7           H        VAL   7   6.202   1.754 -11.401
   70    HA   VAL   7           HA       VAL   7   5.759   2.273 -13.709
   71    HB   VAL   7           HB       VAL   7   4.025   4.211 -13.438
   72   HG11  VAL   7          1HG1      VAL   7   3.680   1.675 -13.558
   73   HG12  VAL   7          2HG1      VAL   7   3.505   1.749 -11.803
   74   HG13  VAL   7          3HG1      VAL   7   2.394   2.646 -12.840
   75   HG21  VAL   7          3HG2      VAL   7   3.808   3.543 -10.611
   76   HG22  VAL   7          1HG2      VAL   7   5.273   4.446 -10.998
   77   HG23  VAL   7          2HG2      VAL   7   3.693   5.108 -11.416
   78    H    VAL   8           H        VAL   8   8.286   3.345 -13.340
   79    HA   VAL   8           HA       VAL   8   8.514   6.112 -13.690
   80    HB   VAL   8           HB       VAL   8  10.748   5.753 -14.380
   81   HG11  VAL   8          1HG1      VAL   8   9.747   3.726 -12.419
   82   HG12  VAL   8          2HG1      VAL   8  11.461   3.804 -12.834
   83   HG13  VAL   8          3HG1      VAL   8  10.658   5.207 -12.128
   84   HG21  VAL   8          3HG2      VAL   8  11.314   3.175 -14.856
   85   HG22  VAL   8          1HG2      VAL   8   9.662   3.230 -15.471
   86   HG23  VAL   8          2HG2      VAL   8  10.884   4.318 -16.128
   87    H    GLY   9           H        GLY   9   6.593   4.457 -15.489
   88    HA2  GLY   9           2HA      GLY   9   7.537   5.419 -18.102
   89    HA3  GLY   9           3HA      GLY   9   6.278   4.220 -17.848
   90    H    ARG  10           H        ARG  10   6.610   7.375 -16.283
   91    HA   ARG  10           HA       ARG  10   3.919   8.043 -17.207
   92    HB2  ARG  10           2HB      ARG  10   5.485   9.771 -15.334
   93    HB3  ARG  10           3HB      ARG  10   3.751   9.490 -15.406
   94    HG2  ARG  10           2HG      ARG  10   4.084   8.193 -13.623
   95    HG3  ARG  10           3HG      ARG  10   4.694   7.009 -14.782
   96    HD2  ARG  10           2HD      ARG  10   6.234   7.332 -12.899
   97    HD3  ARG  10           3HD      ARG  10   6.961   7.802 -14.435
   98    HE   ARG  10           HE       ARG  10   7.156   9.928 -13.632
   99   HH11  ARG  10          1HH1      ARG  10   4.784   8.230 -11.731
  100   HH12  ARG  10          2HH1      ARG  10   4.590   9.517 -10.587
  101   HH21  ARG  10          1HH2      ARG  10   6.908  11.629 -12.133
  102   HH22  ARG  10          2HH2      ARG  10   5.798  11.450 -10.817
  Start of MODEL   19
    1    H1   LEU   1           H        LEU   1   3.813  -0.551   0.984
    2    HA   LEU   1           HA       LEU   1   2.567   0.579  -1.353
    3    HB2  LEU   1           2HB      LEU   1   5.202   0.236  -0.383
    4    HB3  LEU   1           3HB      LEU   1   5.104  -0.593  -1.935
    5    HG   LEU   1           HG       LEU   1   5.897   1.599  -2.361
    6   HD11  LEU   1          1HD1      LEU   1   4.045   2.576  -3.710
    7   HD12  LEU   1          2HD1      LEU   1   2.965   1.370  -3.011
    8   HD13  LEU   1          3HD1      LEU   1   4.329   0.861  -4.007
    9   HD21  LEU   1          3HD2      LEU   1   3.610   2.521  -0.633
   10   HD22  LEU   1          1HD2      LEU   1   4.539   3.599  -1.675
   11   HD23  LEU   1          2HD2      LEU   1   5.338   2.744  -0.355
   12    H    TYR   2           H        TYR   2   3.562  -0.725  -3.476
   13    HA   TYR   2           HA       TYR   2   2.510  -3.467  -3.241
   14    HB2  TYR   2           2HB      TYR   2   2.101  -2.633  -5.892
   15    HB3  TYR   2           3HB      TYR   2   0.875  -2.909  -4.659
   16    HD1  TYR   2           HD1      TYR   2   3.225  -0.269  -5.858
   17    HD2  TYR   2           HD2      TYR   2  -0.517  -1.161  -4.040
   18    HE1  TYR   2           HE1      TYR   2   2.631   2.117  -5.924
   19    HE2  TYR   2           HE2      TYR   2  -1.122   1.222  -4.102
   20    HH   TYR   2           HH       TYR   2   1.138   3.660  -5.352
   21    H    ARG   3           H        ARG   3   3.744  -1.915  -6.136
   22    HA   ARG   3           HA       ARG   3   6.408  -2.687  -6.031
   23    HB2  ARG   3           2HB      ARG   3   6.561  -4.782  -7.028
   24    HB3  ARG   3           3HB      ARG   3   5.189  -4.975  -5.945
   25    HG2  ARG   3           2HG      ARG   3   5.028  -4.417  -8.900
   26    HG3  ARG   3           3HG      ARG   3   4.769  -5.981  -8.124
   27    HD2  ARG   3           2HD      ARG   3   3.131  -3.483  -7.708
   28    HD3  ARG   3           3HD      ARG   3   2.646  -4.907  -8.628
   29    HE   ARG   3           HE       ARG   3   3.329  -5.545  -5.931
   30   HH11  ARG   3          1HH1      ARG   3   0.804  -4.278  -7.965
   31   HH12  ARG   3          2HH1      ARG   3  -0.474  -4.749  -6.894
   32   HH21  ARG   3          1HH2      ARG   3   1.655  -6.170  -4.513
   33   HH22  ARG   3          2HH2      ARG   3   0.011  -5.824  -4.931
   34    H    ARG   4           H        ARG   4   4.066  -1.016  -7.291
   35    HA   ARG   4           HA       ARG   4   5.239  -0.869  -9.990
   36    HB2  ARG   4           2HB      ARG   4   2.451  -0.202  -9.040
   37    HB3  ARG   4           3HB      ARG   4   3.059   0.210 -10.637
   38    HG2  ARG   4           2HG      ARG   4   2.422  -2.471  -9.491
   39    HG3  ARG   4           3HG      ARG   4   1.912  -1.754 -11.020
   40    HD2  ARG   4           2HD      ARG   4   4.316  -1.875 -11.752
   41    HD3  ARG   4           3HD      ARG   4   4.632  -2.828 -10.303
   42    HE   ARG   4           HE       ARG   4   3.607  -4.627 -11.295
   43   HH11  ARG   4          1HH1      ARG   4   2.914  -1.743 -13.118
   44   HH12  ARG   4          2HH1      ARG   4   2.195  -2.596 -14.443
   45   HH21  ARG   4          1HH2      ARG   4   2.663  -5.762 -13.033
   46   HH22  ARG   4          2HH2      ARG   4   2.051  -4.882 -14.393
   47    H    ARG   5           H        ARG   5   5.079   0.669  -7.046
   48    HA   ARG   5           HA       ARG   5   4.699   3.325  -7.417
   49    HB2  ARG   5           2HB      ARG   5   6.338   3.739  -5.663
   50    HB3  ARG   5           3HB      ARG   5   5.375   2.320  -5.277
   51    HG2  ARG   5           2HG      ARG   5   7.516   1.251  -6.619
   52    HG3  ARG   5           3HG      ARG   5   8.239   2.577  -5.707
   53    HD2  ARG   5           2HD      ARG   5   6.317   0.946  -4.202
   54    HD3  ARG   5           3HD      ARG   5   7.766   0.086  -4.721
   55    HE   ARG   5           HE       ARG   5   8.343   2.610  -3.495
   56   HH11  ARG   5          1HH1      ARG   5   7.637  -0.745  -2.888
   57   HH12  ARG   5          2HH1      ARG   5   8.429  -0.768  -1.347
   58   HH21  ARG   5          1HH2      ARG   5   9.388   2.592  -1.467
   59   HH22  ARG   5          2HH2      ARG   5   9.424   1.131  -0.540
   60    H    PHE   6           H        PHE   6   7.386   1.420  -8.600
   61    HA   PHE   6           HA       PHE   6   9.134   3.498  -9.296
   62    HB2  PHE   6           2HB      PHE   6  10.416   1.782  -9.944
   63    HB3  PHE   6           3HB      PHE   6   9.077   0.705  -9.563
   64    HD1  PHE   6           HD1      PHE   6   7.265   0.490 -11.458
   65    HD2  PHE   6           HD2      PHE   6  11.281   1.759 -12.070
   66    HE1  PHE   6           HE1      PHE   6   7.100  -0.144 -13.829
   67    HE2  PHE   6           HE2      PHE   6  11.123   1.128 -14.443
   68    HZ   PHE   6           HZ       PHE   6   9.030   0.175 -15.326
   69    H    VAL   7           H        VAL   7   6.599   1.881 -11.185
   70    HA   VAL   7           HA       VAL   7   6.183   2.373 -13.504
   71    HB   VAL   7           HB       VAL   7   4.526   4.381 -13.280
   72   HG11  VAL   7          1HG1      VAL   7   4.087   1.853 -13.332
   73   HG12  VAL   7          2HG1      VAL   7   3.900   1.988 -11.583
   74   HG13  VAL   7          3HG1      VAL   7   2.835   2.896 -12.657
   75   HG21  VAL   7          3HG2      VAL   7   4.265   3.799 -10.442
   76   HG22  VAL   7          1HG2      VAL   7   5.781   4.610 -10.835
   77   HG23  VAL   7          2HG2      VAL   7   4.244   5.347 -11.286
   78    H    VAL   8           H        VAL   8   8.751   3.347 -13.148
   79    HA   VAL   8           HA       VAL   8   9.097   6.094 -13.546
   80    HB   VAL   8           HB       VAL   8  11.312   5.625 -14.238
   81   HG11  VAL   8          1HG1      VAL   8  10.232   3.684 -12.232
   82   HG12  VAL   8          2HG1      VAL   8  11.946   3.685 -12.649
   83   HG13  VAL   8          3HG1      VAL   8  11.201   5.134 -11.973
   84   HG21  VAL   8          3HG2      VAL   8  11.763   3.014 -14.656
   85   HG22  VAL   8          1HG2      VAL   8  10.114   3.131 -15.272
   86   HG23  VAL   8          2HG2      VAL   8  11.384   4.148 -15.953
   87    H    GLY   9           H        GLY   9   7.119   4.464 -15.326
   88    HA2  GLY   9           2HA      GLY   9   8.104   5.205 -17.975
   89    HA3  GLY   9           3HA      GLY   9   6.657   4.270 -17.627
   90    H    ARG  10           H        ARG  10   7.487   7.352 -16.145
   91    HA   ARG  10           HA       ARG  10   5.023   8.471 -17.269
   92    HB2  ARG  10           2HB      ARG  10   6.650   9.839 -15.161
   93    HB3  ARG  10           3HB      ARG  10   4.915   9.899 -15.440
   94    HG2  ARG  10           2HG      ARG  10   6.406   7.508 -14.379
   95    HG3  ARG  10           3HG      ARG  10   5.525   8.677 -13.393
   96    HD2  ARG  10           2HD      ARG  10   3.762   7.855 -15.424
   97    HD3  ARG  10           3HD      ARG  10   4.539   6.393 -14.819
   98    HE   ARG  10           HE       ARG  10   3.759   7.869 -12.605
   99   HH11  ARG  10          1HH1      ARG  10   2.256   6.279 -15.314
  100   HH12  ARG  10          2HH1      ARG  10   0.788   5.931 -14.462
  101   HH21  ARG  10          1HH2      ARG  10   1.831   7.416 -11.473
  102   HH22  ARG  10          2HH2      ARG  10   0.547   6.579 -12.278
  Start of MODEL   20
    1    H1   LEU   1           H        LEU   1   3.904  -0.976   1.064
    2    HA   LEU   1           HA       LEU   1   1.996  -0.333  -0.998
    3    HB2  LEU   1           2HB      LEU   1   3.772   0.566  -2.187
    4    HB3  LEU   1           3HB      LEU   1   4.217   0.845  -0.505
    5    HG   LEU   1           HG       LEU   1   5.377  -1.609  -1.169
    6   HD11  LEU   1          1HD1      LEU   1   6.046  -1.601  -3.290
    7   HD12  LEU   1          2HD1      LEU   1   6.556   0.084  -3.202
    8   HD13  LEU   1          3HD1      LEU   1   4.875  -0.310  -3.562
    9   HD21  LEU   1          3HD2      LEU   1   7.436  -0.457  -0.793
   10   HD22  LEU   1          1HD2      LEU   1   6.228   0.225   0.297
   11   HD23  LEU   1          2HD2      LEU   1   6.695   1.101  -1.161
   12    H    TYR   2           H        TYR   2   3.119  -1.120  -3.323
   13    HA   TYR   2           HA       TYR   2   3.095  -4.063  -3.165
   14    HB2  TYR   2           2HB      TYR   2   2.246  -3.255  -5.744
   15    HB3  TYR   2           3HB      TYR   2   1.306  -4.071  -4.501
   16    HD1  TYR   2           HD2      TYR   2   2.384  -0.674  -5.587
   17    HD2  TYR   2           HD1      TYR   2  -0.539  -3.008  -3.560
   18    HE1  TYR   2           HE2      TYR   2   0.953   1.315  -5.373
   19    HE2  TYR   2           HE1      TYR   2  -1.979  -1.026  -3.341
   20    HH   TYR   2           HH       TYR   2  -1.950   1.461  -5.007
   21    H    ARG   3           H        ARG   3   3.583  -1.992  -5.977
   22    HA   ARG   3           HA       ARG   3   6.386  -2.041  -6.034
   23    HB2  ARG   3           2HB      ARG   3   6.899  -3.785  -7.565
   24    HB3  ARG   3           3HB      ARG   3   5.910  -4.506  -6.302
   25    HG2  ARG   3           2HG      ARG   3   4.761  -3.554  -8.908
   26    HG3  ARG   3           3HG      ARG   3   5.387  -5.188  -8.675
   27    HD2  ARG   3           2HD      ARG   3   3.772  -4.944  -6.515
   28    HD3  ARG   3           3HD      ARG   3   2.912  -3.945  -7.686
   29    HE   ARG   3           HE       ARG   3   2.354  -5.841  -8.844
   30   HH11  ARG   3          1HH1      ARG   3   4.902  -6.581  -6.590
   31   HH12  ARG   3          2HH1      ARG   3   4.817  -8.291  -6.855
   32   HH21  ARG   3          1HH2      ARG   3   2.232  -8.091  -9.201
   33   HH22  ARG   3          2HH2      ARG   3   3.299  -9.149  -8.341
   34    H    ARG   4           H        ARG   4   3.915  -0.495  -6.730
   35    HA   ARG   4           HA       ARG   4   4.683   0.235  -9.480
   36    HB2  ARG   4           2HB      ARG   4   1.970   0.113  -8.188
   37    HB3  ARG   4           3HB      ARG   4   2.264   1.130  -9.591
   38    HG2  ARG   4           2HG      ARG   4   2.117  -0.599 -10.970
   39    HG3  ARG   4           3HG      ARG   4   3.270  -1.538 -10.018
   40    HD2  ARG   4           2HD      ARG   4   1.339  -2.819  -9.908
   41    HD3  ARG   4           3HD      ARG   4   1.290  -1.902  -8.404
   42    HE   ARG   4           HE       ARG   4  -0.612  -0.877  -9.142
   43   HH11  ARG   4          1HH1      ARG   4   1.017  -2.319 -11.860
   44   HH12  ARG   4          2HH1      ARG   4  -0.266  -1.983 -12.974
   45   HH21  ARG   4          1HH2      ARG   4  -2.308  -0.428 -10.600
   46   HH22  ARG   4          2HH2      ARG   4  -2.157  -0.906 -12.257
   47    H    ARG   5           H        ARG   5   5.976   1.313  -7.266
   48    HA   ARG   5           HA       ARG   5   4.939   4.072  -7.253
   49    HB2  ARG   5           2HB      ARG   5   6.269   4.214  -5.032
   50    HB3  ARG   5           3HB      ARG   5   4.695   3.429  -5.032
   51    HG2  ARG   5           2HG      ARG   5   6.131   2.071  -3.744
   52    HG3  ARG   5           3HG      ARG   5   5.906   1.241  -5.284
   53    HD2  ARG   5           2HD      ARG   5   8.055   1.676  -5.986
   54    HD3  ARG   5           3HD      ARG   5   8.214   3.099  -4.958
   55    HE   ARG   5           HE       ARG   5   8.781   0.366  -4.246
   56   HH11  ARG   5          1HH1      ARG   5   8.009   3.549  -3.067
   57   HH12  ARG   5          2HH1      ARG   5   8.694   3.277  -1.499
   58   HH21  ARG   5          1HH2      ARG   5   9.687  -0.005  -2.186
   59   HH22  ARG   5          2HH2      ARG   5   9.649   1.255  -0.999
   60    H    PHE   6           H        PHE   6   6.699   2.994  -9.213
   61    HA   PHE   6           HA       PHE   6   9.164   4.486  -8.596
   62    HB2  PHE   6           2HB      PHE   6  10.361   2.963 -10.116
   63    HB3  PHE   6           3HB      PHE   6   9.623   2.090  -8.777
   64    HD1  PHE   6           HD1      PHE   6   6.996   1.493  -9.435
   65    HD2  PHE   6           HD2      PHE   6  10.315   1.803 -12.082
   66    HE1  PHE   6           HE1      PHE   6   5.858   0.006 -11.031
   67    HE2  PHE   6           HE2      PHE   6   9.181   0.318 -13.682
   68    HZ   PHE   6           HZ       PHE   6   6.950  -0.582 -13.158
   69    H    VAL   7           H        VAL   7   9.639   3.611 -11.608
   70    HA   VAL   7           HA       VAL   7   9.123   6.147 -12.723
   71    HB   VAL   7           HB       VAL   7   9.712   5.126 -14.889
   72   HG11  VAL   7          1HG1      VAL   7  11.342   5.601 -12.791
   73   HG12  VAL   7          2HG1      VAL   7  11.719   3.907 -13.113
   74   HG13  VAL   7          3HG1      VAL   7  11.909   5.112 -14.387
   75   HG21  VAL   7          3HG2      VAL   7  10.411   2.518 -13.780
   76   HG22  VAL   7          1HG2      VAL   7   8.674   2.820 -13.831
   77   HG23  VAL   7          2HG2      VAL   7   9.632   2.928 -15.308
   78    H    VAL   8           H        VAL   8   6.970   3.770 -11.954
   79    HA   VAL   8           HA       VAL   8   5.255   3.593 -14.151
   80    HB   VAL   8           HB       VAL   8   3.469   3.379 -12.188
   81   HG11  VAL   8          1HG1      VAL   8   5.539   1.508 -13.208
   82   HG12  VAL   8          2HG1      VAL   8   4.537   0.983 -11.854
   83   HG13  VAL   8          3HG1      VAL   8   3.785   1.457 -13.378
   84   HG21  VAL   8          3HG2      VAL   8   5.175   2.237 -10.362
   85   HG22  VAL   8          1HG2      VAL   8   6.029   3.707 -10.832
   86   HG23  VAL   8          2HG2      VAL   8   4.388   3.806 -10.193
   87    H    GLY   9           H        GLY   9   6.251   6.371 -13.206
   88    HA2  GLY   9           2HA      GLY   9   3.694   7.739 -12.845
   89    HA3  GLY   9           3HA      GLY   9   5.288   8.469 -12.727
   90    H    ARG  10           H        ARG  10   4.176   6.456 -15.390
   91    HA   ARG  10           HA       ARG  10   4.521   8.767 -17.171
   92    HB2  ARG  10           2HB      ARG  10   4.303   5.963 -18.183
   93    HB3  ARG  10           3HB      ARG  10   5.194   7.324 -18.850
   94    HG2  ARG  10           2HG      ARG  10   5.946   5.788 -16.372
   95    HG3  ARG  10           3HG      ARG  10   6.680   5.601 -17.965
   96    HD2  ARG  10           2HD      ARG  10   6.793   7.971 -16.121
   97    HD3  ARG  10           3HD      ARG  10   8.130   7.006 -16.744
   98    HE   ARG  10           HE       ARG  10   6.873   9.226 -18.025
   99   HH11  ARG  10          1HH1      ARG  10   8.526   6.216 -18.596
  100   HH12  ARG  10          2HH1      ARG  10   9.102   6.679 -20.163
  101   HH21  ARG  10          1HH2      ARG  10   7.625   9.847 -20.087
  102   HH22  ARG  10          2HH2      ARG  10   8.589   8.745 -21.010