*HEADER    NEUROPEPTIDE                            03-OCT-02   1MXQ              
*TITLE     SOLUTION STRUCTURE OF THE TACHYKININ PEPTIDE ELEDOISIN                
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: ELEDOISIN;                                                 
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: THE PEPTIDE WAS CHEMICALLY SYNTHESIZED.               
*SOURCE   4 THIS SEQUENCE OCCURS NATURALLY IN THE OCTOPOD, ELEDONE               
*SOURCE   5 MOSCHATA.                                                            
*KEYWDS    HELIX, 3 10 HELIX, LIPID INDUCED CONFORMATION, DPC MICELLES           
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    R.C.GRACE, I.R.CHANDRASHEKAR, S.M.COWSIK                              
*REVDAT   1   18-FEB-03 1MXQ    0                                                

  1 PGLU 
         HA      1 PGLU HB2     4.00
         HA      1 PGLU HB3     4.00
  2 PRO
  HD2  1 PGLU QB 4.50
         HD2     1 PGLU HG2     4.50
         HD3  1 PGLU QB 4.50
  3 SER  
  HN  4 LYS  HN 2.80
         HN  2 PRO  HA 3.50
         HN      3 SER  HA      3.00
         HN  2 PRO  HD2 2.80
         HN      2 PRO  HD3     3.50
         HN      2 PRO  QB      4.00 
         HA      3 SER  HB2     3.50
         HA      3 SER  HB3     3.50
  HA  6 ALA  QB 4.50
    
  4 LYS
  HN  5 ASP  HN 2.80
  HN  6 ALA HN 4.20
         HN      4 LYS  HA      3.00
  HN  3 SER  HA 3.50
         HA  7 PHE  HB2 4.40
         HA      7 PHE  HB3     4.40
    HN      3 SER  HB2     4.00
  HN      3 SER  HB3     4.00
  5 ASP
  HN  6 ALA  HN 2.80
  HN  7 PHE  HN 4.20
         HN      5 ASP  HA      3.00
  HN  4 LYS  HA 3.50
         HN      5 ASP  HB2     4.50
         HN      5 ASP  HB3     4.50
         HA  8 ILE  HB 3.50
    HN  4 LYS  QB 4.00
         HN  3 SER  HA 3.80
         
  6 ALA
  HN  7 PHE  HN 2.80
  HN  5 ASP  HA 3.50
  HN  3 SER  HA 3.40
         HN      6 ALA  HA      3.00
  HN      6 ALA  QB      3.50
    HN      5 ASP  HB2     3.50
  HN      5 ASP  HB3     3.50
  7 PHE
  HN  8 ILE  HN 2.80
  HN  5 ASP  HA 3.80
  HN  4 LYS  HA 3.40
  HN  6 ALA HA 3.50
  HN      7 PHE  HA      3.00
         HN      7 PHE  HB2     3.50
         HN      7 PHE  HB3     3.50
  HN  6 ALA  QB 3.50
         HA      7 PHE  HB2     3.50
         HA      7 PHE  HB3     3.50
  HA 10 LEU QB 4.40
   HA      9 GLY  HN 3.80
   HN      6 ALA  QB      4.40
  8 ILE 
  HN  5 ASP  HA 3.40
  HN  7 PHE  HA 3.50
  HN  6 ALA  HA 3.80
  HN  8 ILE  HA 3.00
  HN  7 PHE  HB2 3.50
         HN      7 PHE  HB3     3.50
         HN      8 ILE  QG2     4.50
         HN      8 ILE  QD1     4.00
  HA     11 MET  HB2     4.40
         HA     11 MET  HB3     4.40
         HA      8 ILE  HB      3.50
  HA      8 ILE  QG2     3.50
         HA      8 ILE  QG2     3.50
         HA      8 ILE  QD1     4.50
         QG2     8 ILE  HG21    3.50
         QG2     8 ILE  QD1     4.50
   9 GLY
  HN  8 ILE  HN 2.80
  HN 10 LEU  HN 2.80
  HN 11 MET  HN 4.20
  HN  6 ALA  HA 3.40
         HN      9 GLY  QA      3.00
  HN  8 ILE  HA 3.50
  HN  8 ILE  HB 3.50
         HN  5 ASP  HA 5.00
  10 LEU
  HN  7 PHE HA 3.40
         HN     10 LEU  HA      3.00
  HN  9 GLY  QA 3.40
         HN     10 LEU  QB      3.50
         HN     10 LEU  HG      4.50
         HN     10 LEU  QQD     4.50
         HA     10 LEU  QB      3.50
         HA     10 LEU  HG      4.50
         HA     10 LEU  QQD     4.50
         QB     10 LEU  HG      3.50
         QB     10 LEU  QQD     3.50
  11 MET
  HN 10 LEU HN 2.80
         HN     11 MET  HA      3.00
  HN 10 LEU  HA 3.50
  HN  8 ILE  HA 3.40
         HN     11 MET  QG      4.50
         HN     11 MET  QB      3.50
         HN     10 LEU  HG      4.00
  HN 10 LEU QD2 5.00
         HA     11 MET  HG2     3.50
         HA     11 MET  QG      4.50
         HA     11 MET  QB      4.50
         HA     11 MET  QE      4.50
  HN     10 LEU  QB      3.50

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    HN   PCA   1           HN       PCA   1  -0.548   0.000  -0.849
    2    HA   PCA   1           HA       PCA   1   1.817   0.727  -0.727
    3   1HB   PCA   1          3HB       PCA   1   2.727  -0.082   1.804
    4   2HB   PCA   1          2HB       PCA   1   2.022   1.518   1.423
    5   1HG   PCA   1          3HG       PCA   1   0.689  -0.828   2.747
    6   2HG   PCA   1          2HG       PCA   1   0.412   0.925   2.993
    7    HA   PRO   2           HA       PRO   2   3.497  -3.182  -1.542
    8   1HB   PRO   2          2HB       PRO   2   6.155  -3.005  -0.929
    9   2HB   PRO   2          3HB       PRO   2   5.462  -2.331  -2.391
   10   1HG   PRO   2          2HG       PRO   2   6.353  -0.930   0.054
   11   2HG   PRO   2          3HG       PRO   2   6.065  -0.272  -1.544
   12   1HD   PRO   2          2HD       PRO   2   4.349  -0.040   0.742
   13   2HD   PRO   2          3HD       PRO   2   4.009   0.516  -0.885
   14    H    SER   3           HN       SER   3   4.067  -2.081   1.687
   15    HA   SER   3           HA       SER   3   4.903  -4.572   2.645
   16   1HB   SER   3          2HB       SER   3   3.747  -2.092   3.968
   17   2HB   SER   3          3HB       SER   3   4.158  -3.515   4.905
   18    HG   SER   3           HG       SER   3   6.347  -3.291   3.697
   19    H    LYS   4           HN       LYS   4   1.799  -3.223   1.753
   20    HA   LYS   4           HA       LYS   4   0.238  -4.897   3.455
   21   1HB   LYS   4          2HB       LYS   4  -0.210  -2.598   2.001
   22   2HB   LYS   4          3HB       LYS   4  -1.043  -3.805   1.042
   23   1HG   LYS   4          2HG       LYS   4  -2.757  -3.470   2.525
   24   2HG   LYS   4          3HG       LYS   4  -1.850  -4.564   3.551
   25   1HD   LYS   4          2HD       LYS   4  -1.341  -2.916   5.040
   26   2HD   LYS   4          3HD       LYS   4  -0.835  -1.815   3.773
   27   1HE   LYS   4          2HE       LYS   4  -2.975  -0.888   3.519
   28   2HE   LYS   4          3HE       LYS   4  -3.791  -2.338   4.070
   29   1HZ   LYS   4          1HZ       LYS   4  -3.171  -0.123   5.608
   30   2HZ   LYS   4          2HZ       LYS   4  -3.779  -1.532   6.154
   31    H    ASP   5           HN       ASP   5   1.914  -5.232   0.396
   32    HA   ASP   5           HA       ASP   5   0.289  -7.264  -0.636
   33   1HB   ASP   5          2HB       ASP   5   2.523  -5.776  -1.472
   34   2HB   ASP   5          3HB       ASP   5   3.149  -7.409  -1.362
   35    HD2  ASP   5           HD2      ASP   5   2.436  -5.963  -4.085
   36    H    ALA   6           HN       ALA   6   2.904  -7.057   1.745
   37    HA   ALA   6           HA       ALA   6   3.842  -9.686   1.637
   38   1HB   ALA   6          1HB       ALA   6   5.137  -8.062   2.785
   39   2HB   ALA   6          2HB       ALA   6   3.754  -7.539   3.776
   40   3HB   ALA   6          3HB       ALA   6   4.505  -9.127   4.064
   41    H    PHE   7           HN       PHE   7   0.932  -8.203   3.032
   42    HA   PHE   7           HA       PHE   7   0.329 -10.411   4.717
   43   1HB   PHE   7          2HB       PHE   7  -0.537  -7.739   4.174
   44   2HB   PHE   7          3HB       PHE   7  -1.915  -8.734   3.747
   45    HD1  PHE   7           HD1      PHE   7   0.536  -8.262   6.520
   46    HD2  PHE   7           HD2      PHE   7  -3.413  -9.341   5.403
   47    HE1  PHE   7           HE1      PHE   7  -0.109  -8.409   8.942
   48    HE2  PHE   7           HE2      PHE   7  -4.058  -9.488   7.824
   49    HZ   PHE   7           HZ       PHE   7  -2.398  -9.021   9.565
   50    H    ILE   8           HN       ILE   8  -0.007  -9.730   1.305
   51    HA   ILE   8           HA       ILE   8  -2.272 -11.422   0.904
   52    HB   ILE   8           HB       ILE   8  -0.288 -10.077  -0.917
   53   1HG1  ILE   8          2HG1      ILE   8  -3.244  -9.571  -0.852
   54   2HG1  ILE   8          3HG1      ILE   8  -2.241  -8.904   0.421
   55   1HG2  ILE   8          1HG2      ILE   8  -2.113 -12.293  -1.506
   56   2HG2  ILE   8          2HG2      ILE   8  -2.364 -10.866  -2.540
   57   3HG2  ILE   8          3HG2      ILE   8  -0.759 -11.631  -2.452
   58   1HD1  ILE   8          1HD1      ILE   8  -2.495  -8.054  -2.369
   59   2HD1  ILE   8          2HD1      ILE   8  -1.760  -7.198  -0.993
   60   3HD1  ILE   8          3HD1      ILE   8  -0.795  -8.358  -1.937
   61    H    GLY   9           HN       GLY   9   1.194 -11.824   1.272
   62   1HA   GLY   9          1HA       GLY   9   1.432 -14.286  -0.140
   63   2HA   GLY   9          2HA       GLY   9   2.559 -13.603   1.015
   64    H    LEU  10           HN       LEU  10   0.682 -13.329   3.254
   65    HA   LEU  10           HA       LEU  10   0.872 -15.993   4.232
   66   1HB   LEU  10          2HB       LEU  10  -0.653 -13.809   5.596
   67   2HB   LEU  10          3HB       LEU  10   0.296 -15.109   6.290
   68    HG   LEU  10           HG       LEU  10   1.181 -12.469   5.204
   69   1HD1  LEU  10          1HD1      LEU  10   2.401 -12.307   7.215
   70   2HD1  LEU  10          2HD1      LEU  10   0.832 -13.019   7.661
   71   3HD1  LEU  10          3HD1      LEU  10   2.274 -14.054   7.531
   72   1HD2  LEU  10          1HD2      LEU  10   3.574 -13.764   5.466
   73   2HD2  LEU  10          2HD2      LEU  10   2.568 -15.012   4.693
   74   3HD2  LEU  10          3HD2      LEU  10   2.756 -13.418   3.924
   75    H    MET  11           HN       MET  11  -1.661 -13.941   2.800
   76    HA   MET  11           HA       MET  11  -3.681 -15.851   3.524
   77   1HB   MET  11          2HB       MET  11  -3.638 -13.101   3.022
   78   2HB   MET  11          3HB       MET  11  -4.304 -13.719   1.524
   79   1HG   MET  11          2HG       MET  11  -5.386 -14.481   4.278
   80   2HG   MET  11          3HG       MET  11  -6.033 -13.164   3.321
   81   1HE   MET  11          1HE       MET  11  -6.852 -15.975   4.588
   82   2HE   MET  11          2HE       MET  11  -7.875 -16.889   3.454
   83   3HE   MET  11          3HE       MET  11  -6.142 -17.270   3.594
  Start of MODEL    2
    1    HN   PCA   1           HN       PCA   1  -0.548   0.000  -0.849
    2    HA   PCA   1           HA       PCA   1   1.817   0.727  -0.727
    3   1HB   PCA   1          3HB       PCA   1   2.727  -0.082   1.804
    4   2HB   PCA   1          2HB       PCA   1   2.022   1.518   1.423
    5   1HG   PCA   1          3HG       PCA   1   0.689  -0.828   2.747
    6   2HG   PCA   1          2HG       PCA   1   0.412   0.925   2.993
    7    HA   PRO   2           HA       PRO   2   3.497  -3.182  -1.542
    8   1HB   PRO   2          2HB       PRO   2   6.155  -3.005  -0.929
    9   2HB   PRO   2          3HB       PRO   2   5.461  -2.331  -2.391
   10   1HG   PRO   2          2HG       PRO   2   6.353  -0.929   0.054
   11   2HG   PRO   2          3HG       PRO   2   6.065  -0.272  -1.545
   12   1HD   PRO   2          2HD       PRO   2   4.349  -0.040   0.742
   13   2HD   PRO   2          3HD       PRO   2   4.009   0.516  -0.885
   14    H    SER   3           HN       SER   3   4.068  -2.081   1.687
   15    HA   SER   3           HA       SER   3   4.850  -4.623   2.614
   16   1HB   SER   3          2HB       SER   3   4.007  -2.021   3.907
   17   2HB   SER   3          3HB       SER   3   4.156  -3.460   4.896
   18    HG   SER   3           HG       SER   3   6.118  -1.848   4.269
   19    H    LYS   4           HN       LYS   4   1.825  -3.157   1.743
   20    HA   LYS   4           HA       LYS   4   0.156  -4.523   3.566
   21   1HB   LYS   4          2HB       LYS   4  -0.489  -2.459   2.384
   22   2HB   LYS   4          3HB       LYS   4  -0.458  -3.312   0.854
   23   1HG   LYS   4          2HG       LYS   4  -2.631  -3.860   1.217
   24   2HG   LYS   4          3HG       LYS   4  -2.075  -4.944   2.477
   25   1HD   LYS   4          2HD       LYS   4  -2.576  -3.440   4.200
   26   2HD   LYS   4          3HD       LYS   4  -2.356  -2.029   3.185
   27   1HE   LYS   4          2HE       LYS   4  -4.489  -2.341   2.102
   28   2HE   LYS   4          3HE       LYS   4  -4.652  -3.975   2.715
   29   1HZ   LYS   4          1HZ       LYS   4  -5.984  -2.599   4.096
   30   2HZ   LYS   4          2HZ       LYS   4  -4.672  -2.920   5.006
   31    H    ASP   5           HN       ASP   5   1.894  -5.438   0.663
   32    HA   ASP   5           HA       ASP   5   0.201  -7.541  -0.072
   33   1HB   ASP   5          2HB       ASP   5   2.856  -6.485  -0.801
   34   2HB   ASP   5          3HB       ASP   5   2.810  -8.235  -0.884
   35    HD2  ASP   5           HD2      ASP   5   1.683  -8.440  -3.750
   36    H    ALA   6           HN       ALA   6   2.758  -7.053   2.331
   37    HA   ALA   6           HA       ALA   6   3.570  -9.702   2.694
   38   1HB   ALA   6          1HB       ALA   6   4.128  -7.155   3.757
   39   2HB   ALA   6          2HB       ALA   6   3.565  -8.121   5.141
   40   3HB   ALA   6          3HB       ALA   6   4.939  -8.686   4.162
   41    H    PHE   7           HN       PHE   7   0.699  -7.880   3.720
   42    HA   PHE   7           HA       PHE   7  -0.056  -9.746   5.728
   43   1HB   PHE   7          2HB       PHE   7  -0.777  -7.168   4.718
   44   2HB   PHE   7          3HB       PHE   7  -2.189  -8.160   4.414
   45    HD1  PHE   7           HD1      PHE   7  -1.026  -5.891   6.610
   46    HD2  PHE   7           HD2      PHE   7  -2.529  -9.860   6.639
   47    HE1  PHE   7           HE1      PHE   7  -1.743  -5.602   8.998
   48    HE2  PHE   7           HE2      PHE   7  -3.246  -9.571   9.027
   49    HZ   PHE   7           HZ       PHE   7  -2.844  -7.446  10.178
   50    H    ILE   8           HN       ILE   8  -0.267  -9.633   2.240
   51    HA   ILE   8           HA       ILE   8  -2.600 -11.268   2.047
   52    HB   ILE   8           HB       ILE   8  -0.527 -10.251   0.130
   53   1HG1  ILE   8          2HG1      ILE   8  -3.478  -9.857  -0.147
   54   2HG1  ILE   8          3HG1      ILE   8  -2.651  -8.989   1.132
   55   1HG2  ILE   8          1HG2      ILE   8  -1.664 -11.350  -1.705
   56   2HG2  ILE   8          2HG2      ILE   8  -1.070 -12.561  -0.544
   57   3HG2  ILE   8          3HG2      ILE   8  -2.797 -12.130  -0.576
   58   1HD1  ILE   8          1HD1      ILE   8  -2.687  -8.407  -1.691
   59   2HD1  ILE   8          2HD1      ILE   8  -1.912  -7.482  -0.383
   60   3HD1  ILE   8          3HD1      ILE   8  -1.012  -8.774  -1.215
   61    H    GLY   9           HN       GLY   9   0.832 -11.753   2.597
   62   1HA   GLY   9          1HA       GLY   9   1.019 -14.408   1.611
   63   2HA   GLY   9          2HA       GLY   9   2.109 -13.605   2.723
   64    H    LEU  10           HN       LEU  10   0.339 -12.953   4.862
   65    HA   LEU  10           HA       LEU  10   0.175 -15.519   6.099
   66   1HB   LEU  10          2HB       LEU  10   0.843 -13.996   7.620
   67   2HB   LEU  10          3HB       LEU  10  -0.055 -12.682   6.887
   68    HG   LEU  10           HG       LEU  10  -1.525 -14.865   8.342
   69   1HD1  LEU  10          1HD1      LEU  10   0.486 -13.298   9.557
   70   2HD1  LEU  10          2HD1      LEU  10  -1.076 -12.618  10.076
   71   3HD1  LEU  10          3HD1      LEU  10  -0.723 -14.342  10.342
   72   1HD2  LEU  10          1HD2      LEU  10  -2.785 -12.527   8.900
   73   2HD2  LEU  10          2HD2      LEU  10  -2.103 -12.163   7.297
   74   3HD2  LEU  10          3HD2      LEU  10  -3.168 -13.573   7.512
   75    H    MET  11           HN       MET  11  -2.135 -13.070   4.817
   76    HA   MET  11           HA       MET  11  -4.375 -14.563   5.689
   77   1HB   MET  11          2HB       MET  11  -3.874 -12.158   3.891
   78   2HB   MET  11          3HB       MET  11  -5.469 -12.883   3.909
   79   1HG   MET  11          2HG       MET  11  -4.036 -12.040   6.468
   80   2HG   MET  11          3HG       MET  11  -5.071 -10.946   5.570
   81   1HE   MET  11          1HE       MET  11  -7.475 -11.328   5.014
   82   2HE   MET  11          2HE       MET  11  -7.400 -13.019   4.463
   83   3HE   MET  11          3HE       MET  11  -8.549 -12.548   5.738
  Start of MODEL    3
    1    HN   PCA   1           HN       PCA   1  -0.548   0.000  -0.849
    2    HA   PCA   1           HA       PCA   1   1.817   0.727  -0.727
    3   1HB   PCA   1          3HB       PCA   1   2.727  -0.082   1.804
    4   2HB   PCA   1          2HB       PCA   1   2.022   1.518   1.423
    5   1HG   PCA   1          3HG       PCA   1   0.689  -0.828   2.747
    6   2HG   PCA   1          2HG       PCA   1   0.412   0.925   2.993
    7    HA   PRO   2           HA       PRO   2   3.497  -3.182  -1.542
    8   1HB   PRO   2          2HB       PRO   2   6.155  -3.005  -0.929
    9   2HB   PRO   2          3HB       PRO   2   5.461  -2.331  -2.391
   10   1HG   PRO   2          2HG       PRO   2   6.353  -0.929   0.054
   11   2HG   PRO   2          3HG       PRO   2   6.065  -0.272  -1.545
   12   1HD   PRO   2          2HD       PRO   2   4.349  -0.040   0.742
   13   2HD   PRO   2          3HD       PRO   2   4.008   0.516  -0.885
   14    H    SER   3           HN       SER   3   4.070  -2.081   1.686
   15    HA   SER   3           HA       SER   3   4.899  -4.579   2.641
   16   1HB   SER   3          2HB       SER   3   5.081  -2.167   3.687
   17   2HB   SER   3          3HB       SER   3   3.492  -2.504   4.345
   18    HG   SER   3           HG       SER   3   5.573  -4.448   4.677
   19    H    LYS   4           HN       LYS   4   1.807  -3.219   1.746
   20    HA   LYS   4           HA       LYS   4   0.227  -4.848   3.469
   21   1HB   LYS   4          2HB       LYS   4  -0.553  -2.680   2.632
   22   2HB   LYS   4          3HB       LYS   4  -0.487  -3.265   0.982
   23   1HG   LYS   4          2HG       LYS   4  -2.777  -3.501   1.648
   24   2HG   LYS   4          3HG       LYS   4  -2.114  -5.123   1.679
   25   1HD   LYS   4          2HD       LYS   4  -2.982  -5.216   3.793
   26   2HD   LYS   4          3HD       LYS   4  -1.553  -4.311   4.250
   27   1HE   LYS   4          2HE       LYS   4  -3.523  -3.170   5.146
   28   2HE   LYS   4          3HE       LYS   4  -2.814  -2.166   3.898
   29   1HZ   LYS   4          1HZ       LYS   4  -4.621  -3.808   2.594
   30   2HZ   LYS   4          2HZ       LYS   4  -5.401  -3.333   3.942
   31    H    ASP   5           HN       ASP   5   1.915  -5.267   0.424
   32    HA   ASP   5           HA       ASP   5   0.285  -7.316  -0.563
   33   1HB   ASP   5          2HB       ASP   5   2.515  -5.857  -1.437
   34   2HB   ASP   5          3HB       ASP   5   3.156  -7.479  -1.263
   35    HD2  ASP   5           HD2      ASP   5   0.697  -5.670  -2.899
   36    H    ALA   6           HN       ALA   6   2.891  -7.063   1.824
   37    HA   ALA   6           HA       ALA   6   3.817  -9.699   1.786
   38   1HB   ALA   6          1HB       ALA   6   4.538  -9.105   4.154
   39   2HB   ALA   6          2HB       ALA   6   5.076  -7.977   2.886
   40   3HB   ALA   6          3HB       ALA   6   3.701  -7.550   3.933
   41    H    PHE   7           HN       PHE   7   0.907  -8.166   3.130
   42    HA   PHE   7           HA       PHE   7   0.286 -10.329   4.868
   43   1HB   PHE   7          2HB       PHE   7  -0.565  -7.667   4.253
   44   2HB   PHE   7          3HB       PHE   7  -1.946  -8.666   3.847
   45    HD1  PHE   7           HD1      PHE   7  -2.908 -10.184   5.627
   46    HD2  PHE   7           HD2      PHE   7  -0.048  -7.173   6.501
   47    HE1  PHE   7           HE1      PHE   7  -3.562 -10.266   8.049
   48    HE2  PHE   7           HE2      PHE   7  -0.703  -7.255   8.923
   49    HZ   PHE   7           HZ       PHE   7  -2.451  -8.800   9.668
   50    H    ILE   8           HN       ILE   8  -0.031  -9.732   1.438
   51    HA   ILE   8           HA       ILE   8  -2.304 -11.421   1.070
   52    HB   ILE   8           HB       ILE   8  -0.302 -10.143  -0.781
   53   1HG1  ILE   8          2HG1      ILE   8  -3.252  -9.595  -0.717
   54   2HG1  ILE   8          3HG1      ILE   8  -2.229  -8.901   0.525
   55   1HG2  ILE   8          1HG2      ILE   8  -2.618 -11.965  -1.470
   56   2HG2  ILE   8          2HG2      ILE   8  -1.830 -10.869  -2.630
   57   3HG2  ILE   8          3HG2      ILE   8  -0.898 -12.182  -1.871
   58   1HD1  ILE   8          1HD1      ILE   8  -1.716  -7.252  -0.941
   59   2HD1  ILE   8          2HD1      ILE   8  -0.808  -8.462  -1.879
   60   3HD1  ILE   8          3HD1      ILE   8  -2.510  -8.122  -2.276
   61    H    GLY   9           HN       GLY   9   1.159 -11.832   1.463
   62   1HA   GLY   9          1HA       GLY   9   1.426 -14.307   0.102
   63   2HA   GLY   9          2HA       GLY   9   2.509 -13.628   1.301
   64    H    LEU  10           HN       LEU  10   0.835 -13.384   3.564
   65    HA   LEU  10           HA       LEU  10   0.755 -16.116   4.383
   66   1HB   LEU  10          2HB       LEU  10   1.470 -14.840   6.099
   67   2HB   LEU  10          3HB       LEU  10   0.525 -13.444   5.620
   68    HG   LEU  10           HG       LEU  10  -0.856 -15.856   6.768
   69   1HD1  LEU  10          1HD1      LEU  10   1.148 -15.085   8.208
   70   2HD1  LEU  10          2HD1      LEU  10   0.149 -13.654   8.555
   71   3HD1  LEU  10          3HD1      LEU  10  -0.444 -15.277   8.981
   72   1HD2  LEU  10          1HD2      LEU  10  -2.047 -13.563   7.733
   73   2HD2  LEU  10          2HD2      LEU  10  -1.542 -13.094   6.092
   74   3HD2  LEU  10          3HD2      LEU  10  -2.585 -14.516   6.330
   75    H    MET  11           HN       MET  11  -1.637 -13.540   3.598
   76    HA   MET  11           HA       MET  11  -3.779 -15.358   4.188
   77   1HB   MET  11          2HB       MET  11  -3.807 -12.835   4.664
   78   2HB   MET  11          3HB       MET  11  -3.834 -12.557   2.934
   79   1HG   MET  11          2HG       MET  11  -6.054 -13.122   2.746
   80   2HG   MET  11          3HG       MET  11  -5.905 -14.481   3.843
   81   1HE   MET  11          1HE       MET  11  -6.466 -14.694   5.821
   82   2HE   MET  11          2HE       MET  11  -5.766 -13.584   7.023
   83   3HE   MET  11          3HE       MET  11  -7.525 -13.608   6.753
  Start of MODEL    4
    1    HN   PCA   1           HN       PCA   1  -0.548   0.000  -0.849
    2    HA   PCA   1           HA       PCA   1   1.817   0.727  -0.727
    3   1HB   PCA   1          3HB       PCA   1   2.727  -0.082   1.804
    4   2HB   PCA   1          2HB       PCA   1   2.022   1.518   1.423
    5   1HG   PCA   1          3HG       PCA   1   0.689  -0.828   2.747
    6   2HG   PCA   1          2HG       PCA   1   0.412   0.925   2.993
    7    HA   PRO   2           HA       PRO   2   3.497  -3.182  -1.542
    8   1HB   PRO   2          2HB       PRO   2   6.155  -3.005  -0.929
    9   2HB   PRO   2          3HB       PRO   2   5.461  -2.331  -2.391
   10   1HG   PRO   2          2HG       PRO   2   6.353  -0.929   0.054
   11   2HG   PRO   2          3HG       PRO   2   6.065  -0.272  -1.545
   12   1HD   PRO   2          2HD       PRO   2   4.349  -0.040   0.742
   13   2HD   PRO   2          3HD       PRO   2   4.008   0.516  -0.885
   14    H    SER   3           HN       SER   3   4.070  -2.081   1.686
   15    HA   SER   3           HA       SER   3   4.836  -4.635   2.606
   16   1HB   SER   3          2HB       SER   3   4.993  -2.079   3.607
   17   2HB   SER   3          3HB       SER   3   3.652  -2.705   4.546
   18    HG   SER   3           HG       SER   3   4.970  -4.411   5.316
   19    H    LYS   4           HN       LYS   4   1.817  -3.073   1.825
   20    HA   LYS   4           HA       LYS   4   0.116  -4.323   3.644
   21   1HB   LYS   4          2HB       LYS   4  -0.539  -2.395   2.308
   22   2HB   LYS   4          3HB       LYS   4  -0.381  -3.318   0.827
   23   1HG   LYS   4          2HG       LYS   4  -2.083  -4.824   2.596
   24   2HG   LYS   4          3HG       LYS   4  -2.648  -3.166   2.616
   25   1HD   LYS   4          2HD       LYS   4  -2.487  -3.259   0.017
   26   2HD   LYS   4          3HD       LYS   4  -2.325  -4.994   0.203
   27   1HE   LYS   4          2HE       LYS   4  -4.491  -5.014   1.515
   28   2HE   LYS   4          3HE       LYS   4  -4.661  -3.298   1.207
   29   1HZ   LYS   4          1HZ       LYS   4  -4.953  -5.516  -0.668
   30   2HZ   LYS   4          2HZ       LYS   4  -5.791  -4.122  -0.591
   31    H    ASP   5           HN       ASP   5   1.903  -5.531   0.881
   32    HA   ASP   5           HA       ASP   5   0.206  -7.683   0.319
   33   1HB   ASP   5          2HB       ASP   5   2.576  -6.579  -0.728
   34   2HB   ASP   5          3HB       ASP   5   3.075  -8.165  -0.175
   35    HD2  ASP   5           HD2      ASP   5   1.856  -9.625  -2.997
   36    H    ALA   6           HN       ALA   6   2.720  -6.984   2.716
   37    HA   ALA   6           HA       ALA   6   3.496  -9.590   3.354
   38   1HB   ALA   6          1HB       ALA   6   3.337  -7.120   5.129
   39   2HB   ALA   6          2HB       ALA   6   4.344  -8.561   5.409
   40   3HB   ALA   6          3HB       ALA   6   4.675  -7.500   4.018
   41    H    PHE   7           HN       PHE   7   0.622  -7.654   4.136
   42    HA   PHE   7           HA       PHE   7  -0.193  -9.309   6.298
   43   1HB   PHE   7          2HB       PHE   7  -0.867  -6.836   5.027
   44   2HB   PHE   7          3HB       PHE   7  -2.282  -7.842   4.789
   45    HD1  PHE   7           HD1      PHE   7  -2.968  -9.189   7.039
   46    HD2  PHE   7           HD2      PHE   7  -0.863  -5.506   6.901
   47    HE1  PHE   7           HE1      PHE   7  -3.733  -8.663   9.371
   48    HE2  PHE   7           HE2      PHE   7  -1.629  -4.981   9.233
   49    HZ   PHE   7           HZ       PHE   7  -3.055  -6.566  10.440
   50    H    ILE   8           HN       ILE   8  -0.329  -9.535   2.812
   51    HA   ILE   8           HA       ILE   8  -2.674 -11.163   2.729
   52    HB   ILE   8           HB       ILE   8  -0.541 -10.388   0.758
   53   1HG1  ILE   8          2HG1      ILE   8  -3.484  -9.900   0.454
   54   2HG1  ILE   8          3HG1      ILE   8  -2.581  -8.922   1.595
   55   1HG2  ILE   8          1HG2      ILE   8  -1.233 -12.754   0.355
   56   2HG2  ILE   8          2HG2      ILE   8  -2.905 -12.180   0.150
   57   3HG2  ILE   8          3HG2      ILE   8  -1.633 -11.635  -0.970
   58   1HD1  ILE   8          1HD1      ILE   8  -1.011  -9.094  -0.809
   59   2HD1  ILE   8          2HD1      ILE   8  -2.679  -8.678  -1.270
   60   3HD1  ILE   8          3HD1      ILE   8  -1.796  -7.659  -0.108
   61    H    GLY   9           HN       GLY   9   0.740 -11.619   3.398
   62   1HA   GLY   9          1HA       GLY   9   0.918 -14.361   2.681
   63   2HA   GLY   9          2HA       GLY   9   1.997 -13.461   3.727
   64    H    LEU  10           HN       LEU  10   0.169 -12.578   5.745
   65    HA   LEU  10           HA       LEU  10  -0.022 -14.999   7.244
   66   1HB   LEU  10          2HB       LEU  10   0.606 -13.320   8.611
   67   2HB   LEU  10          3HB       LEU  10  -0.275 -12.095   7.720
   68    HG   LEU  10           HG       LEU  10  -1.778 -14.117   9.362
   69   1HD1  LEU  10          1HD1      LEU  10   0.208 -12.469  10.467
   70   2HD1  LEU  10          2HD1      LEU  10  -1.340 -11.670  10.833
   71   3HD1  LEU  10          3HD1      LEU  10  -1.073 -13.359  11.325
   72   1HD2  LEU  10          1HD2      LEU  10  -3.002 -11.672   9.617
   73   2HD2  LEU  10          2HD2      LEU  10  -2.353 -11.605   7.961
   74   3HD2  LEU  10          3HD2      LEU  10  -3.436 -12.934   8.440
   75    H    MET  11           HN       MET  11  -2.302 -12.709   5.653
   76    HA   MET  11           HA       MET  11  -4.567 -14.083   6.630
   77   1HB   MET  11          2HB       MET  11  -4.123 -11.603   5.574
   78   2HB   MET  11          3HB       MET  11  -4.668 -12.406   4.115
   79   1HG   MET  11          2HG       MET  11  -6.346 -12.956   6.519
   80   2HG   MET  11          3HG       MET  11  -6.347 -11.281   6.004
   81   1HE   MET  11          1HE       MET  11  -8.362 -13.471   6.310
   82   2HE   MET  11          2HE       MET  11  -9.516 -13.164   4.990
   83   3HE   MET  11          3HE       MET  11  -8.519 -14.638   4.975
  Start of MODEL    5
    1    HN   PCA   1           HN       PCA   1  -0.548   0.000  -0.849
    2    HA   PCA   1           HA       PCA   1   1.817   0.727  -0.727
    3   1HB   PCA   1          3HB       PCA   1   2.727  -0.082   1.804
    4   2HB   PCA   1          2HB       PCA   1   2.022   1.518   1.423
    5   1HG   PCA   1          3HG       PCA   1   0.689  -0.828   2.747
    6   2HG   PCA   1          2HG       PCA   1   0.412   0.925   2.993
    7    HA   PRO   2           HA       PRO   2   3.497  -3.182  -1.542
    8   1HB   PRO   2          2HB       PRO   2   6.155  -3.005  -0.929
    9   2HB   PRO   2          3HB       PRO   2   5.461  -2.331  -2.391
   10   1HG   PRO   2          2HG       PRO   2   6.353  -0.929   0.054
   11   2HG   PRO   2          3HG       PRO   2   6.065  -0.272  -1.545
   12   1HD   PRO   2          2HD       PRO   2   4.349  -0.040   0.742
   13   2HD   PRO   2          3HD       PRO   2   4.009   0.516  -0.885
   14    H    SER   3           HN       SER   3   4.070  -2.081   1.687
   15    HA   SER   3           HA       SER   3   4.868  -4.608   2.623
   16   1HB   SER   3          2HB       SER   3   4.348  -1.932   3.718
   17   2HB   SER   3          3HB       SER   3   3.787  -3.188   4.804
   18    HG   SER   3           HG       SER   3   6.041  -4.180   4.308
   19    H    LYS   4           HN       LYS   4   1.819  -3.178   1.743
   20    HA   LYS   4           HA       LYS   4   0.135  -4.527   3.534
   21   1HB   LYS   4          2HB       LYS   4  -0.658  -2.607   2.347
   22   2HB   LYS   4          3HB       LYS   4  -0.302  -3.328   0.790
   23   1HG   LYS   4          2HG       LYS   4  -2.224  -4.578   0.782
   24   2HG   LYS   4          3HG       LYS   4  -2.069  -5.011   2.473
   25   1HD   LYS   4          2HD       LYS   4  -3.608  -3.451   3.048
   26   2HD   LYS   4          3HD       LYS   4  -2.620  -2.184   2.350
   27   1HE   LYS   4          2HE       LYS   4  -3.643  -2.449   0.169
   28   2HE   LYS   4          3HE       LYS   4  -4.405  -3.959   0.630
   29   1HZ   LYS   4          1HZ       LYS   4  -5.562  -2.501   2.413
   30   2HZ   LYS   4          2HZ       LYS   4  -5.137  -1.234   1.484
   31    H    ASP   5           HN       ASP   5   1.988  -5.559   0.742
   32    HA   ASP   5           HA       ASP   5   0.370  -7.742   0.076
   33   1HB   ASP   5          2HB       ASP   5   2.991  -6.637  -0.656
   34   2HB   ASP   5          3HB       ASP   5   3.050  -8.387  -0.588
   35    HD2  ASP   5           HD2      ASP   5   3.025  -8.929  -2.571
   36    H    ALA   6           HN       ALA   6   2.834  -7.056   2.527
   37    HA   ALA   6           HA       ALA   6   3.696  -9.658   3.064
   38   1HB   ALA   6          1HB       ALA   6   4.966  -8.565   4.575
   39   2HB   ALA   6          2HB       ALA   6   4.220  -7.070   3.961
   40   3HB   ALA   6          3HB       ALA   6   3.540  -7.881   5.392
   41    H    PHE   7           HN       PHE   7   0.751  -7.855   3.895
   42    HA   PHE   7           HA       PHE   7  -0.025  -9.626   5.980
   43   1HB   PHE   7          2HB       PHE   7  -0.772  -7.126   4.805
   44   2HB   PHE   7          3HB       PHE   7  -2.151  -8.169   4.514
   45    HD1  PHE   7           HD1      PHE   7  -3.143  -9.400   6.547
   46    HD2  PHE   7           HD2      PHE   7  -0.492  -6.104   6.886
   47    HE1  PHE   7           HE1      PHE   7  -3.944  -8.997   8.891
   48    HE2  PHE   7           HE2      PHE   7  -1.292  -5.701   9.231
   49    HZ   PHE   7           HZ       PHE   7  -3.009  -7.152  10.205
   50    H    ILE   8           HN       ILE   8  -0.124  -9.711   2.487
   51    HA   ILE   8           HA       ILE   8  -2.411 -11.412   2.313
   52    HB   ILE   8           HB       ILE   8  -0.252 -10.869   0.274
   53   1HG1  ILE   8          2HG1      ILE   8  -1.249  -8.777   1.162
   54   2HG1  ILE   8          3HG1      ILE   8  -1.580  -9.043  -0.538
   55   1HG2  ILE   8          1HG2      ILE   8  -2.768 -11.243  -0.931
   56   2HG2  ILE   8          2HG2      ILE   8  -1.356 -12.324  -0.983
   57   3HG2  ILE   8          3HG2      ILE   8  -2.598 -12.543   0.273
   58   1HD1  ILE   8          1HD1      ILE   8  -3.823  -9.129  -0.189
   59   2HD1  ILE   8          2HD1      ILE   8  -3.640 -10.266   1.168
   60   3HD1  ILE   8          3HD1      ILE   8  -3.483  -8.515   1.447
   61    H    GLY   9           HN       GLY   9   1.011 -11.781   2.997
   62   1HA   GLY   9          1HA       GLY   9   1.276 -14.489   2.174
   63   2HA   GLY   9          2HA       GLY   9   2.329 -13.593   3.251
   64    H    LEU  10           HN       LEU  10   0.547 -12.849   5.328
   65    HA   LEU  10           HA       LEU  10   0.387 -15.340   6.708
   66   1HB   LEU  10          2HB       LEU  10   1.034 -13.728   8.145
   67   2HB   LEU  10          3HB       LEU  10   0.134 -12.464   7.331
   68    HG   LEU  10           HG       LEU  10  -1.335 -14.569   8.897
   69   1HD1  LEU  10          1HD1      LEU  10  -0.137 -14.014  10.716
   70   2HD1  LEU  10          2HD1      LEU  10   0.479 -12.511   9.987
   71   3HD1  LEU  10          3HD1      LEU  10  -1.149 -12.550  10.706
   72   1HD2  LEU  10          1HD2      LEU  10  -3.114 -13.307   8.485
   73   2HD2  LEU  10          2HD2      LEU  10  -2.298 -11.850   9.103
   74   3HD2  LEU  10          3HD2      LEU  10  -2.099 -12.327   7.400
   75    H    MET  11           HN       MET  11  -1.927 -12.984   5.270
   76    HA   MET  11           HA       MET  11  -4.142 -14.541   6.169
   77   1HB   MET  11          2HB       MET  11  -3.815 -11.901   5.567
   78   2HB   MET  11          3HB       MET  11  -4.377 -12.445   3.999
   79   1HG   MET  11          2HG       MET  11  -5.917 -13.347   6.434
   80   2HG   MET  11          3HG       MET  11  -6.097 -11.680   5.924
   81   1HE   MET  11          1HE       MET  11  -7.416 -14.710   6.056
   82   2HE   MET  11          2HE       MET  11  -8.870 -13.833   5.522
   83   3HE   MET  11          3HE       MET  11  -8.233 -15.177   4.545
  Start of MODEL    6
    1    HN   PCA   1           HN       PCA   1  -0.548   0.000  -0.849
    2    HA   PCA   1           HA       PCA   1   1.817   0.727  -0.727
    3   1HB   PCA   1          3HB       PCA   1   2.727  -0.082   1.804
    4   2HB   PCA   1          2HB       PCA   1   2.022   1.518   1.423
    5   1HG   PCA   1          3HG       PCA   1   0.689  -0.828   2.747
    6   2HG   PCA   1          2HG       PCA   1   0.412   0.925   2.993
    7    HA   PRO   2           HA       PRO   2   3.497  -3.182  -1.542
    8   1HB   PRO   2          2HB       PRO   2   6.155  -3.005  -0.929
    9   2HB   PRO   2          3HB       PRO   2   5.461  -2.331  -2.391
   10   1HG   PRO   2          2HG       PRO   2   6.353  -0.929   0.054
   11   2HG   PRO   2          3HG       PRO   2   6.065  -0.272  -1.545
   12   1HD   PRO   2          2HD       PRO   2   4.349  -0.040   0.742
   13   2HD   PRO   2          3HD       PRO   2   4.009   0.516  -0.885
   14    H    SER   3           HN       SER   3   4.070  -2.081   1.687
   15    HA   SER   3           HA       SER   3   4.863  -4.612   2.620
   16   1HB   SER   3          2HB       SER   3   5.212  -2.240   3.667
   17   2HB   SER   3          3HB       SER   3   3.602  -2.443   4.330
   18    HG   SER   3           HG       SER   3   4.509  -4.615   5.141
   19    H    LYS   4           HN       LYS   4   1.809  -3.127   1.800
   20    HA   LYS   4           HA       LYS   4   0.145  -4.516   3.583
   21   1HB   LYS   4          2HB       LYS   4  -0.569  -2.506   2.412
   22   2HB   LYS   4          3HB       LYS   4  -0.399  -3.300   0.860
   23   1HG   LYS   4          2HG       LYS   4  -2.389  -4.414   1.068
   24   2HG   LYS   4          3HG       LYS   4  -2.092  -4.830   2.744
   25   1HD   LYS   4          2HD       LYS   4  -3.306  -3.060   3.517
   26   2HD   LYS   4          3HD       LYS   4  -2.540  -1.939   2.409
   27   1HE   LYS   4          2HE       LYS   4  -4.065  -2.493   0.623
   28   2HE   LYS   4          3HE       LYS   4  -4.642  -3.925   1.453
   29   1HZ   LYS   4          1HZ       LYS   4  -5.709  -1.372   1.635
   30   2HZ   LYS   4          2HZ       LYS   4  -6.158  -2.670   2.510
   31    H    ASP   5           HN       ASP   5   1.934  -5.468   0.724
   32    HA   ASP   5           HA       ASP   5   0.275  -7.605   0.007
   33   1HB   ASP   5          2HB       ASP   5   2.606  -6.370  -0.974
   34   2HB   ASP   5          3HB       ASP   5   3.153  -7.978  -0.541
   35    HD2  ASP   5           HD2      ASP   5   2.097  -6.286  -2.951
   36    H    ALA   6           HN       ALA   6   2.793  -7.040   2.434
   37    HA   ALA   6           HA       ALA   6   3.630  -9.670   2.861
   38   1HB   ALA   6          1HB       ALA   6   4.491  -8.789   4.970
   39   2HB   ALA   6          2HB       ALA   6   4.759  -7.597   3.675
   40   3HB   ALA   6          3HB       ALA   6   3.433  -7.364   4.839
   41    H    PHE   7           HN       PHE   7   0.724  -7.863   3.812
   42    HA   PHE   7           HA       PHE   7  -0.037  -9.699   5.845
   43   1HB   PHE   7          2HB       PHE   7  -0.773  -7.150   4.776
   44   2HB   PHE   7          3HB       PHE   7  -2.170  -8.164   4.471
   45    HD1  PHE   7           HD1      PHE   7  -2.652  -9.773   6.674
   46    HD2  PHE   7           HD2      PHE   7  -0.936  -5.892   6.688
   47    HE1  PHE   7           HE1      PHE   7  -3.407  -9.448   9.045
   48    HE2  PHE   7           HE2      PHE   7  -1.691  -5.566   9.059
   49    HZ   PHE   7           HZ       PHE   7  -2.918  -7.348  10.210
   50    H    ILE   8           HN       ILE   8  -0.200  -9.656   2.353
   51    HA   ILE   8           HA       ILE   8  -2.511 -11.322   2.161
   52    HB   ILE   8           HB       ILE   8  -0.377 -10.553   0.168
   53   1HG1  ILE   8          2HG1      ILE   8  -1.553  -8.602   0.840
   54   2HG1  ILE   8          3HG1      ILE   8  -2.202  -9.075  -0.718
   55   1HG2  ILE   8          1HG2      ILE   8  -1.352 -12.636  -0.536
   56   2HG2  ILE   8          2HG2      ILE   8  -2.995 -12.023  -0.233
   57   3HG2  ILE   8          3HG2      ILE   8  -2.011 -11.323  -1.541
   58   1HD1  ILE   8          1HD1      ILE   8  -3.487  -9.201   1.998
   59   2HD1  ILE   8          2HD1      ILE   8  -4.188  -8.726   0.432
   60   3HD1  ILE   8          3HD1      ILE   8  -3.937 -10.448   0.809
   61    H    GLY   9           HN       GLY   9   0.917 -11.755   2.767
   62   1HA   GLY   9          1HA       GLY   9   1.148 -14.428   1.836
   63   2HA   GLY   9          2HA       GLY   9   2.214 -13.590   2.945
   64    H    LEU  10           HN       LEU  10   0.508 -12.934   5.085
   65    HA   LEU  10           HA       LEU  10   0.293 -15.492   6.328
   66   1HB   LEU  10          2HB       LEU  10   1.018 -13.983   7.838
   67   2HB   LEU  10          3HB       LEU  10   0.144 -12.648   7.113
   68    HG   LEU  10           HG       LEU  10  -1.361 -14.791   8.592
   69   1HD1  LEU  10          1HD1      LEU  10   0.331 -14.236  10.177
   70   2HD1  LEU  10          2HD1      LEU  10   0.166 -12.495   9.840
   71   3HD1  LEU  10          3HD1      LEU  10  -1.151 -13.374  10.654
   72   1HD2  LEU  10          1HD2      LEU  10  -2.983 -13.462   7.779
   73   2HD2  LEU  10          2HD2      LEU  10  -2.556 -12.422   9.160
   74   3HD2  LEU  10          3HD2      LEU  10  -1.886 -12.079   7.547
   75    H    MET  11           HN       MET  11  -1.972 -12.989   5.071
   76    HA   MET  11           HA       MET  11  -4.244 -14.380   5.991
   77   1HB   MET  11          2HB       MET  11  -4.119 -11.895   5.491
   78   2HB   MET  11          3HB       MET  11  -3.937 -12.264   3.787
   79   1HG   MET  11          2HG       MET  11  -6.164 -12.923   3.539
   80   2HG   MET  11          3HG       MET  11  -6.298 -13.493   5.191
   81   1HE   MET  11          1HE       MET  11  -7.065 -12.512   6.942
   82   2HE   MET  11          2HE       MET  11  -7.603 -10.836   7.204
   83   3HE   MET  11          3HE       MET  11  -8.568 -11.932   6.186
  Start of MODEL    7
    1    HN   PCA   1           HN       PCA   1  -0.548   0.000  -0.849
    2    HA   PCA   1           HA       PCA   1   1.817   0.727  -0.727
    3   1HB   PCA   1          3HB       PCA   1   2.727  -0.082   1.804
    4   2HB   PCA   1          2HB       PCA   1   2.022   1.518   1.423
    5   1HG   PCA   1          3HG       PCA   1   0.689  -0.828   2.747
    6   2HG   PCA   1          2HG       PCA   1   0.412   0.925   2.993
    7    HA   PRO   2           HA       PRO   2   3.497  -3.182  -1.542
    8   1HB   PRO   2          2HB       PRO   2   6.155  -3.005  -0.929
    9   2HB   PRO   2          3HB       PRO   2   5.461  -2.331  -2.391
   10   1HG   PRO   2          2HG       PRO   2   6.353  -0.929   0.054
   11   2HG   PRO   2          3HG       PRO   2   6.065  -0.272  -1.545
   12   1HD   PRO   2          2HD       PRO   2   4.349  -0.040   0.742
   13   2HD   PRO   2          3HD       PRO   2   4.009   0.516  -0.885
   14    H    SER   3           HN       SER   3   4.069  -2.081   1.687
   15    HA   SER   3           HA       SER   3   4.717  -4.721   2.554
   16   1HB   SER   3          2HB       SER   3   4.892  -2.032   3.605
   17   2HB   SER   3          3HB       SER   3   4.031  -3.023   4.765
   18    HG   SER   3           HG       SER   3   6.433  -2.996   4.967
   19    H    LYS   4           HN       LYS   4   1.926  -3.512   1.404
   20    HA   LYS   4           HA       LYS   4   0.124  -4.126   3.529
   21   1HB   LYS   4          2HB       LYS   4  -0.268  -2.430   1.711
   22   2HB   LYS   4          3HB       LYS   4  -0.460  -3.753   0.578
   23   1HG   LYS   4          2HG       LYS   4  -2.083  -4.267   2.939
   24   2HG   LYS   4          3HG       LYS   4  -2.432  -2.659   2.338
   25   1HD   LYS   4          2HD       LYS   4  -3.292  -3.437   0.321
   26   2HD   LYS   4          3HD       LYS   4  -2.232  -4.832   0.277
   27   1HE   LYS   4          2HE       LYS   4  -3.844  -6.143   1.189
   28   2HE   LYS   4          3HE       LYS   4  -3.965  -5.087   2.582
   29   1HZ   LYS   4          1HZ       LYS   4  -6.064  -5.236   1.309
   30   2HZ   LYS   4          2HZ       LYS   4  -5.525  -3.701   1.366
   31    H    ASP   5           HN       ASP   5   1.826  -5.904   1.030
   32    HA   ASP   5           HA       ASP   5  -0.003  -8.014   0.842
   33   1HB   ASP   5          2HB       ASP   5   2.748  -7.386  -0.045
   34   2HB   ASP   5          3HB       ASP   5   2.533  -9.089   0.305
   35    HD2  ASP   5           HD2      ASP   5   2.579  -8.573  -2.771
   36    H    ALA   6           HN       ALA   6   2.554  -7.058   3.099
   37    HA   ALA   6           HA       ALA   6   3.176  -9.556   4.184
   38   1HB   ALA   6          1HB       ALA   6   4.682  -8.136   5.069
   39   2HB   ALA   6          2HB       ALA   6   3.653  -6.727   4.718
   40   3HB   ALA   6          3HB       ALA   6   3.421  -7.644   6.225
   41    H    PHE   7           HN       PHE   7   0.429  -7.343   4.599
   42    HA   PHE   7           HA       PHE   7  -0.475  -8.543   7.012
   43   1HB   PHE   7          2HB       PHE   7  -1.003  -6.294   5.325
   44   2HB   PHE   7          3HB       PHE   7  -2.478  -7.237   5.260
   45    HD1  PHE   7           HD1      PHE   7  -0.067  -5.812   7.720
   46    HD2  PHE   7           HD2      PHE   7  -4.071  -6.972   6.925
   47    HE1  PHE   7           HE1      PHE   7  -0.785  -4.842   9.920
   48    HE2  PHE   7           HE2      PHE   7  -4.789  -6.002   9.125
   49    HZ   PHE   7           HZ       PHE   7  -3.138  -4.948  10.597
   50    H    ILE   8           HN       ILE   8  -0.641  -9.365   3.618
   51    HA   ILE   8           HA       ILE   8  -3.081 -10.837   3.806
   52    HB   ILE   8           HB       ILE   8  -0.901 -10.643   1.735
   53   1HG1  ILE   8          2HG1      ILE   8  -3.751  -9.761   1.397
   54   2HG1  ILE   8          3HG1      ILE   8  -2.642  -8.750   2.302
   55   1HG2  ILE   8          1HG2      ILE   8  -3.341 -12.403   1.816
   56   2HG2  ILE   8          2HG2      ILE   8  -2.680 -11.813   0.272
   57   3HG2  ILE   8          3HG2      ILE   8  -1.670 -12.804   1.352
   58   1HD1  ILE   8          1HD1      ILE   8  -2.796  -9.210  -0.592
   59   2HD1  ILE   8          2HD1      ILE   8  -1.958  -7.920   0.303
   60   3HD1  ILE   8          3HD1      ILE   8  -1.153  -9.484   0.035
   61    H    GLY   9           HN       GLY   9   0.302 -11.376   4.565
   62   1HA   GLY   9          1HA       GLY   9   0.355 -14.191   4.317
   63   2HA   GLY   9          2HA       GLY   9   1.434 -13.189   5.267
   64    H    LEU  10           HN       LEU  10  -0.413 -11.936   7.050
   65    HA   LEU  10           HA       LEU  10  -0.795 -14.096   8.875
   66   1HB   LEU  10          2HB       LEU  10  -0.125 -12.266  10.009
   67   2HB   LEU  10          3HB       LEU  10  -0.904 -11.144   8.911
   68    HG   LEU  10           HG       LEU  10  -2.577 -12.824  10.760
   69   1HD1  LEU  10          1HD1      LEU  10  -2.213 -11.554  12.618
   70   2HD1  LEU  10          2HD1      LEU  10  -0.585 -11.493  11.900
   71   3HD1  LEU  10          3HD1      LEU  10  -1.703 -10.125  11.687
   72   1HD2  LEU  10          1HD2      LEU  10  -2.912 -10.340   9.140
   73   2HD2  LEU  10          2HD2      LEU  10  -4.019 -11.711   9.390
   74   3HD2  LEU  10          3HD2      LEU  10  -3.824 -10.482  10.662
   75    H    MET  11           HN       MET  11  -2.883 -11.956   6.865
   76    HA   MET  11           HA       MET  11  -5.221 -13.258   7.892
   77   1HB   MET  11          2HB       MET  11  -4.535 -10.817   6.442
   78   2HB   MET  11          3HB       MET  11  -5.783 -11.665   5.552
   79   1HG   MET  11          2HG       MET  11  -7.293 -10.784   7.007
   80   2HG   MET  11          3HG       MET  11  -6.640 -11.858   8.228
   81   1HE   MET  11          1HE       MET  11  -7.486  -9.762  10.059
   82   2HE   MET  11          2HE       MET  11  -6.277 -11.046  10.292
   83   3HE   MET  11          3HE       MET  11  -5.911  -9.378  10.794
  Start of MODEL    8
    1    HN   PCA   1           HN       PCA   1  -0.548   0.000  -0.849
    2    HA   PCA   1           HA       PCA   1   1.817   0.727  -0.727
    3   1HB   PCA   1          3HB       PCA   1   2.727  -0.082   1.804
    4   2HB   PCA   1          2HB       PCA   1   2.022   1.518   1.423
    5   1HG   PCA   1          3HG       PCA   1   0.689  -0.828   2.747
    6   2HG   PCA   1          2HG       PCA   1   0.412   0.925   2.993
    7    HA   PRO   2           HA       PRO   2   3.497  -3.182  -1.542
    8   1HB   PRO   2          2HB       PRO   2   6.155  -3.005  -0.929
    9   2HB   PRO   2          3HB       PRO   2   5.462  -2.331  -2.391
   10   1HG   PRO   2          2HG       PRO   2   6.353  -0.930   0.054
   11   2HG   PRO   2          3HG       PRO   2   6.065  -0.272  -1.544
   12   1HD   PRO   2          2HD       PRO   2   4.349  -0.040   0.742
   13   2HD   PRO   2          3HD       PRO   2   4.009   0.516  -0.885
   14    H    SER   3           HN       SER   3   4.062  -2.081   1.687
   15    HA   SER   3           HA       SER   3   4.705  -4.725   2.552
   16   1HB   SER   3          2HB       SER   3   4.929  -2.045   3.593
   17   2HB   SER   3          3HB       SER   3   4.029  -2.999   4.755
   18    HG   SER   3           HG       SER   3   6.314  -3.147   5.144
   19    H    LYS   4           HN       LYS   4   1.918  -3.497   1.412
   20    HA   LYS   4           HA       LYS   4   0.119  -4.095   3.544
   21   1HB   LYS   4          2HB       LYS   4  -0.331  -2.394   1.800
   22   2HB   LYS   4          3HB       LYS   4  -0.400  -3.657   0.588
   23   1HG   LYS   4          2HG       LYS   4  -2.653  -3.576   1.089
   24   2HG   LYS   4          3HG       LYS   4  -2.173  -4.718   2.329
   25   1HD   LYS   4          2HD       LYS   4  -1.885  -2.802   3.944
   26   2HD   LYS   4          3HD       LYS   4  -2.441  -1.697   2.703
   27   1HE   LYS   4          2HE       LYS   4  -4.629  -2.852   2.599
   28   2HE   LYS   4          3HE       LYS   4  -4.078  -4.059   3.744
   29   1HZ   LYS   4          1HZ       LYS   4  -3.859  -1.282   4.612
   30   2HZ   LYS   4          2HZ       LYS   4  -5.371  -1.876   4.507
   31    H    ASP   5           HN       ASP   5   1.806  -5.893   1.052
   32    HA   ASP   5           HA       ASP   5  -0.039  -7.990   0.870
   33   1HB   ASP   5          2HB       ASP   5   2.366  -7.250  -0.369
   34   2HB   ASP   5          3HB       ASP   5   2.806  -8.714   0.489
   35    HD2  ASP   5           HD2      ASP   5   0.958 -10.818  -1.413
   36    H    ALA   6           HN       ALA   6   2.529  -7.046   3.121
   37    HA   ALA   6           HA       ALA   6   3.134  -9.546   4.213
   38   1HB   ALA   6          1HB       ALA   6   3.270  -6.688   5.219
   39   2HB   ALA   6          2HB       ALA   6   3.810  -8.064   6.211
   40   3HB   ALA   6          3HB       ALA   6   4.597  -7.729   4.650
   41    H    PHE   7           HN       PHE   7   0.403  -7.311   4.624
   42    HA   PHE   7           HA       PHE   7  -0.507  -8.497   7.042
   43   1HB   PHE   7          2HB       PHE   7  -1.020  -6.249   5.349
   44   2HB   PHE   7          3HB       PHE   7  -2.502  -7.182   5.289
   45    HD1  PHE   7           HD1      PHE   7  -2.974  -8.181   7.889
   46    HD2  PHE   7           HD2      PHE   7  -1.193  -4.484   6.808
   47    HE1  PHE   7           HE1      PHE   7  -3.681  -7.197  10.087
   48    HE2  PHE   7           HE2      PHE   7  -1.900  -3.501   9.006
   49    HZ   PHE   7           HZ       PHE   7  -3.136  -4.869  10.619
   50    H    ILE   8           HN       ILE   8  -0.683  -9.328   3.652
   51    HA   ILE   8           HA       ILE   8  -3.134 -10.781   3.847
   52    HB   ILE   8           HB       ILE   8  -0.992 -10.412   1.789
   53   1HG1  ILE   8          2HG1      ILE   8  -3.921 -10.099   1.296
   54   2HG1  ILE   8          3HG1      ILE   8  -3.144  -8.923   2.336
   55   1HG2  ILE   8          1HG2      ILE   8  -2.930 -12.672   1.963
   56   2HG2  ILE   8          2HG2      ILE   8  -2.672 -11.908   0.376
   57   3HG2  ILE   8          3HG2      ILE   8  -1.295 -12.606   1.261
   58   1HD1  ILE   8          1HD1      ILE   8  -2.239  -7.884   0.543
   59   2HD1  ILE   8          2HD1      ILE   8  -1.435  -9.392   0.046
   60   3HD1  ILE   8          3HD1      ILE   8  -3.086  -9.037  -0.517
   61    H    GLY   9           HN       GLY   9   0.246 -11.343   4.603
   62   1HA   GLY   9          1HA       GLY   9   0.196 -14.185   4.402
   63   2HA   GLY   9          2HA       GLY   9   1.383 -13.192   5.223
   64    H    LEU  10           HN       LEU  10  -0.331 -11.782   7.057
   65    HA   LEU  10           HA       LEU  10  -0.615 -13.831   9.023
   66   1HB   LEU  10          2HB       LEU  10   0.152 -11.952  10.005
   67   2HB   LEU  10          3HB       LEU  10  -0.685 -10.881   8.899
   68    HG   LEU  10           HG       LEU  10  -2.251 -12.428  10.948
   69   1HD1  LEU  10          1HD1      LEU  10  -1.797  -9.884  12.039
   70   2HD1  LEU  10          2HD1      LEU  10  -1.211 -11.451  12.648
   71   3HD1  LEU  10          3HD1      LEU  10  -0.196 -10.487  11.549
   72   1HD2  LEU  10          1HD2      LEU  10  -3.468 -10.070  10.798
   73   2HD2  LEU  10          2HD2      LEU  10  -2.666 -10.041   9.209
   74   3HD2  LEU  10          3HD2      LEU  10  -3.773 -11.372   9.623
   75    H    MET  11           HN       MET  11  -2.807 -11.773   7.039
   76    HA   MET  11           HA       MET  11  -5.122 -12.730   8.320
   77   1HB   MET  11          2HB       MET  11  -4.425 -11.117   5.858
   78   2HB   MET  11          3HB       MET  11  -6.039 -11.797   5.923
   79   1HG   MET  11          2HG       MET  11  -5.052 -10.382   8.392
   80   2HG   MET  11          3HG       MET  11  -5.440  -9.385   7.004
   81   1HE   MET  11          1HE       MET  11  -7.512 -11.852   9.805
   82   2HE   MET  11          2HE       MET  11  -6.285 -10.573   9.962
   83   3HE   MET  11          3HE       MET  11  -8.012 -10.172  10.115
  Start of MODEL    9
    1    HN   PCA   1           HN       PCA   1  -0.548   0.000  -0.849
    2    HA   PCA   1           HA       PCA   1   1.817   0.727  -0.727
    3   1HB   PCA   1          3HB       PCA   1   2.727  -0.082   1.804
    4   2HB   PCA   1          2HB       PCA   1   2.022   1.518   1.423
    5   1HG   PCA   1          3HG       PCA   1   0.689  -0.828   2.747
    6   2HG   PCA   1          2HG       PCA   1   0.412   0.925   2.993
    7    HA   PRO   2           HA       PRO   2   3.497  -3.182  -1.542
    8   1HB   PRO   2          2HB       PRO   2   6.155  -3.005  -0.929
    9   2HB   PRO   2          3HB       PRO   2   5.461  -2.331  -2.391
   10   1HG   PRO   2          2HG       PRO   2   6.353  -0.929   0.054
   11   2HG   PRO   2          3HG       PRO   2   6.065  -0.272  -1.545
   12   1HD   PRO   2          2HD       PRO   2   4.349  -0.040   0.742
   13   2HD   PRO   2          3HD       PRO   2   4.008   0.516  -0.885
   14    H    SER   3           HN       SER   3   4.072  -2.081   1.686
   15    HA   SER   3           HA       SER   3   4.877  -4.600   2.627
   16   1HB   SER   3          2HB       SER   3   4.947  -2.070   3.636
   17   2HB   SER   3          3HB       SER   3   3.544  -2.675   4.495
   18    HG   SER   3           HG       SER   3   5.039  -4.619   4.973
   19    H    LYS   4           HN       LYS   4   1.877  -3.378   1.531
   20    HA   LYS   4           HA       LYS   4   0.165  -4.684   3.378
   21   1HB   LYS   4          2HB       LYS   4  -0.309  -2.682   1.809
   22   2HB   LYS   4          3HB       LYS   4  -0.565  -3.885   0.561
   23   1HG   LYS   4          2HG       LYS   4  -2.056  -4.966   2.612
   24   2HG   LYS   4          3HG       LYS   4  -2.228  -3.257   2.959
   25   1HD   LYS   4          2HD       LYS   4  -2.530  -3.680   0.098
   26   2HD   LYS   4          3HD       LYS   4  -3.588  -4.783   0.954
   27   1HE   LYS   4          2HE       LYS   4  -4.967  -3.100   1.659
   28   2HE   LYS   4          3HE       LYS   4  -3.625  -2.078   2.134
   29   1HZ   LYS   4          1HZ       LYS   4  -5.185  -1.709  -0.080
   30   2HZ   LYS   4          2HZ       LYS   4  -3.756  -0.974   0.186
   31    H    ASP   5           HN       ASP   5   2.052  -5.663   0.578
   32    HA   ASP   5           HA       ASP   5   0.498  -7.876  -0.109
   33   1HB   ASP   5          2HB       ASP   5   2.813  -6.607  -1.057
   34   2HB   ASP   5          3HB       ASP   5   3.415  -8.163  -0.520
   35    HD2  ASP   5           HD2      ASP   5   3.535  -9.314  -2.666
   36    H    ALA   6           HN       ALA   6   2.913  -7.165   2.387
   37    HA   ALA   6           HA       ALA   6   3.800  -9.752   2.937
   38   1HB   ALA   6          1HB       ALA   6   4.757  -8.784   4.853
   39   2HB   ALA   6          2HB       ALA   6   4.633  -7.410   3.728
   40   3HB   ALA   6          3HB       ALA   6   3.438  -7.602   5.032
   41    H    PHE   7           HN       PHE   7   0.804  -8.007   3.710
   42    HA   PHE   7           HA       PHE   7   0.011  -9.795   5.771
   43   1HB   PHE   7          2HB       PHE   7  -0.753  -7.310   4.591
   44   2HB   PHE   7          3HB       PHE   7  -2.097  -8.377   4.233
   45    HD1  PHE   7           HD1      PHE   7   0.116  -7.843   7.204
   46    HD2  PHE   7           HD2      PHE   7  -3.842  -8.113   5.699
   47    HE1  PHE   7           HE1      PHE   7  -0.788  -7.483   9.517
   48    HE2  PHE   7           HE2      PHE   7  -4.746  -7.752   8.012
   49    HZ   PHE   7           HZ       PHE   7  -3.208  -7.442   9.894
   50    H    ILE   8           HN       ILE   8  -0.008  -9.877   2.273
   51    HA   ILE   8           HA       ILE   8  -2.246 -11.636   2.050
   52    HB   ILE   8           HB       ILE   8  -0.187 -10.483   0.231
   53   1HG1  ILE   8          2HG1      ILE   8  -2.455 -10.115  -1.050
   54   2HG1  ILE   8          3HG1      ILE   8  -3.177 -10.453   0.510
   55   1HG2  ILE   8          1HG2      ILE   8  -1.469 -11.944  -1.573
   56   2HG2  ILE   8          2HG2      ILE   8  -0.006 -12.534  -0.749
   57   3HG2  ILE   8          3HG2      ILE   8  -1.612 -13.069  -0.201
   58   1HD1  ILE   8          1HD1      ILE   8  -2.728  -8.338   1.168
   59   2HD1  ILE   8          2HD1      ILE   8  -0.987  -8.657   0.977
   60   3HD1  ILE   8          3HD1      ILE   8  -1.930  -8.016  -0.390
   61    H    GLY   9           HN       GLY   9   1.167 -11.917   2.810
   62   1HA   GLY   9          1HA       GLY   9   1.474 -14.642   2.005
   63   2HA   GLY   9          2HA       GLY   9   2.538 -13.701   3.031
   64    H    LEU  10           HN       LEU  10   0.498 -12.911   5.008
   65    HA   LEU  10           HA       LEU  10   0.601 -15.282   6.593
   66   1HB   LEU  10          2HB       LEU  10   0.942 -13.484   7.911
   67   2HB   LEU  10          3HB       LEU  10  -0.074 -12.428   6.950
   68    HG   LEU  10           HG       LEU  10  -1.329 -14.585   8.628
   69   1HD1  LEU  10          1HD1      LEU  10   0.038 -13.595  10.264
   70   2HD1  LEU  10          2HD1      LEU  10  -0.214 -11.958   9.611
   71   3HD1  LEU  10          3HD1      LEU  10  -1.546 -12.801  10.438
   72   1HD2  LEU  10          1HD2      LEU  10  -2.194 -12.101   7.242
   73   2HD2  LEU  10          2HD2      LEU  10  -3.030 -13.658   7.451
   74   3HD2  LEU  10          3HD2      LEU  10  -2.983 -12.487   8.791
   75    H    MET  11           HN       MET  11  -1.926 -13.395   4.853
   76    HA   MET  11           HA       MET  11  -3.996 -15.070   5.815
   77   1HB   MET  11          2HB       MET  11  -3.988 -12.571   4.850
   78   2HB   MET  11          3HB       MET  11  -4.167 -13.364   3.298
   79   1HG   MET  11          2HG       MET  11  -6.007 -14.393   5.402
   80   2HG   MET  11          3HG       MET  11  -6.265 -12.710   4.989
   81   1HE   MET  11          1HE       MET  11  -7.117 -16.411   3.694
   82   2HE   MET  11          2HE       MET  11  -7.946 -15.274   4.784
   83   3HE   MET  11          3HE       MET  11  -8.583 -15.561   3.147
  Start of MODEL   10
    1    HN   PCA   1           HN       PCA   1  -0.548   0.000  -0.849
    2    HA   PCA   1           HA       PCA   1   1.817   0.727  -0.727
    3   1HB   PCA   1          3HB       PCA   1   2.727  -0.082   1.804
    4   2HB   PCA   1          2HB       PCA   1   2.022   1.518   1.423
    5   1HG   PCA   1          3HG       PCA   1   0.689  -0.828   2.747
    6   2HG   PCA   1          2HG       PCA   1   0.412   0.925   2.993
    7    HA   PRO   2           HA       PRO   2   3.497  -3.182  -1.542
    8   1HB   PRO   2          2HB       PRO   2   6.155  -3.005  -0.929
    9   2HB   PRO   2          3HB       PRO   2   5.462  -2.331  -2.391
   10   1HG   PRO   2          2HG       PRO   2   6.353  -0.930   0.054
   11   2HG   PRO   2          3HG       PRO   2   6.065  -0.272  -1.544
   12   1HD   PRO   2          2HD       PRO   2   4.349  -0.040   0.742
   13   2HD   PRO   2          3HD       PRO   2   4.009   0.516  -0.885
   14    H    SER   3           HN       SER   3   4.069  -2.081   1.687
   15    HA   SER   3           HA       SER   3   4.818  -4.649   2.598
   16   1HB   SER   3          2HB       SER   3   4.981  -2.070   3.597
   17   2HB   SER   3          3HB       SER   3   3.701  -2.747   4.584
   18    HG   SER   3           HG       SER   3   5.866  -3.076   5.480
   19    H    LYS   4           HN       LYS   4   1.835  -3.110   1.755
   20    HA   LYS   4           HA       LYS   4   0.127  -4.319   3.629
   21   1HB   LYS   4          2HB       LYS   4  -0.560  -2.374   2.380
   22   2HB   LYS   4          3HB       LYS   4  -0.346  -3.204   0.852
   23   1HG   LYS   4          2HG       LYS   4  -2.137  -4.626   2.755
   24   2HG   LYS   4          3HG       LYS   4  -2.732  -3.053   2.261
   25   1HD   LYS   4          2HD       LYS   4  -1.671  -4.961   0.160
   26   2HD   LYS   4          3HD       LYS   4  -3.282  -5.208   0.805
   27   1HE   LYS   4          2HE       LYS   4  -3.127  -2.423   0.254
   28   2HE   LYS   4          3HE       LYS   4  -2.353  -3.201  -1.112
   29   1HZ   LYS   4          1HZ       LYS   4  -4.311  -4.140  -1.756
   30   2HZ   LYS   4          2HZ       LYS   4  -4.834  -4.439  -0.243
   31    H    ASP   5           HN       ASP   5   1.827  -5.492   0.784
   32    HA   ASP   5           HA       ASP   5   0.100  -7.604   0.209
   33   1HB   ASP   5          2HB       ASP   5   2.848  -6.739  -0.505
   34   2HB   ASP   5          3HB       ASP   5   2.641  -8.479  -0.541
   35    HD2  ASP   5           HD2      ASP   5   2.495  -8.666  -2.990
   36    H    ALA   6           HN       ALA   6   2.647  -7.012   2.604
   37    HA   ALA   6           HA       ALA   6   3.364  -9.644   3.191
   38   1HB   ALA   6          1HB       ALA   6   3.247  -7.548   5.336
   39   2HB   ALA   6          2HB       ALA   6   4.552  -8.687   4.925
   40   3HB   ALA   6          3HB       ALA   6   4.279  -7.244   3.919
   41    H    PHE   7           HN       PHE   7   0.531  -7.667   4.019
   42    HA   PHE   7           HA       PHE   7  -0.316  -9.344   6.150
   43   1HB   PHE   7          2HB       PHE   7  -0.941  -6.839   4.932
   44   2HB   PHE   7          3HB       PHE   7  -2.370  -7.813   4.651
   45    HD1  PHE   7           HD1      PHE   7  -0.014  -7.359   7.523
   46    HD2  PHE   7           HD2      PHE   7  -4.036  -7.397   6.173
   47    HE1  PHE   7           HE1      PHE   7  -0.802  -6.876   9.857
   48    HE2  PHE   7           HE2      PHE   7  -4.825  -6.915   8.506
   49    HZ   PHE   7           HZ       PHE   7  -3.198  -6.660  10.321
   50    H    ILE   8           HN       ILE   8  -0.465  -9.506   2.659
   51    HA   ILE   8           HA       ILE   8  -2.831 -11.101   2.556
   52    HB   ILE   8           HB       ILE   8  -0.758 -10.145   0.640
   53   1HG1  ILE   8          2HG1      ILE   8  -3.041  -9.643  -0.572
   54   2HG1  ILE   8          3HG1      ILE   8  -3.724  -9.882   1.024
   55   1HG2  ILE   8          1HG2      ILE   8  -1.853 -11.504  -1.160
   56   2HG2  ILE   8          2HG2      ILE   8  -0.865 -12.439  -0.012
   57   3HG2  ILE   8          3HG2      ILE   8  -2.640 -12.458   0.121
   58   1HD1  ILE   8          1HD1      ILE   8  -3.100  -7.783   1.587
   59   2HD1  ILE   8          2HD1      ILE   8  -1.396  -8.248   1.369
   60   3HD1  ILE   8          3HD1      ILE   8  -2.317  -7.578   0.002
   61    H    GLY   9           HN       GLY   9   0.577 -11.614   3.208
   62   1HA   GLY   9          1HA       GLY   9   0.746 -14.331   2.426
   63   2HA   GLY   9          2HA       GLY   9   1.804 -13.475   3.530
   64    H    LEU  10           HN       LEU  10  -0.043 -12.655   5.544
   65    HA   LEU  10           HA       LEU  10  -0.306 -15.131   6.937
   66   1HB   LEU  10          2HB       LEU  10   0.326 -13.521   8.384
   67   2HB   LEU  10          3HB       LEU  10  -0.517 -12.245   7.528
   68    HG   LEU  10           HG       LEU  10  -2.086 -14.304   9.058
   69   1HD1  LEU  10          1HD1      LEU  10  -0.260 -13.424  10.539
   70   2HD1  LEU  10          2HD1      LEU  10  -0.956 -11.800  10.326
   71   3HD1  LEU  10          3HD1      LEU  10  -1.915 -13.084  11.099
   72   1HD2  LEU  10          1HD2      LEU  10  -2.670 -11.914   7.595
   73   2HD2  LEU  10          2HD2      LEU  10  -3.786 -13.046   8.397
   74   3HD2  LEU  10          3HD2      LEU  10  -3.110 -11.671   9.303
   75    H    MET  11           HN       MET  11  -2.514 -12.737   5.400
   76    HA   MET  11           HA       MET  11  -4.828 -14.073   6.287
   77   1HB   MET  11          2HB       MET  11  -4.794 -11.664   5.646
   78   2HB   MET  11          3HB       MET  11  -4.316 -12.077   4.012
   79   1HG   MET  11          2HG       MET  11  -6.445 -12.998   3.479
   80   2HG   MET  11          3HG       MET  11  -6.873 -13.240   5.160
   81   1HE   MET  11          1HE       MET  11  -6.640 -11.448   6.775
   82   2HE   MET  11          2HE       MET  11  -6.765  -9.697   6.480
   83   3HE   MET  11          3HE       MET  11  -8.240 -10.686   6.607
  Start of MODEL   11
    1    HN   PCA   1           HN       PCA   1  -0.548   0.000  -0.849
    2    HA   PCA   1           HA       PCA   1   1.817   0.727  -0.727
    3   1HB   PCA   1          3HB       PCA   1   2.727  -0.082   1.804
    4   2HB   PCA   1          2HB       PCA   1   2.022   1.518   1.423
    5   1HG   PCA   1          3HG       PCA   1   0.689  -0.828   2.747
    6   2HG   PCA   1          2HG       PCA   1   0.412   0.925   2.993
    7    HA   PRO   2           HA       PRO   2   3.497  -3.182  -1.542
    8   1HB   PRO   2          2HB       PRO   2   6.155  -3.005  -0.930
    9   2HB   PRO   2          3HB       PRO   2   5.461  -2.331  -2.392
   10   1HG   PRO   2          2HG       PRO   2   6.353  -0.929   0.053
   11   2HG   PRO   2          3HG       PRO   2   6.064  -0.272  -1.546
   12   1HD   PRO   2          2HD       PRO   2   4.349  -0.039   0.741
   13   2HD   PRO   2          3HD       PRO   2   4.008   0.516  -0.886
   14    H    SER   3           HN       SER   3   4.065  -2.081   1.686
   15    HA   SER   3           HA       SER   3   4.681  -4.740   2.542
   16   1HB   SER   3          2HB       SER   3   4.966  -2.058   3.586
   17   2HB   SER   3          3HB       SER   3   4.098  -3.020   4.765
   18    HG   SER   3           HG       SER   3   5.811  -4.439   4.950
   19    H    LYS   4           HN       LYS   4   1.909  -3.449   1.444
   20    HA   LYS   4           HA       LYS   4   0.061  -3.764   3.510
   21   1HB   LYS   4          2HB       LYS   4  -1.553  -3.426   1.887
   22   2HB   LYS   4          3HB       LYS   4  -0.154  -2.638   1.187
   23   1HG   LYS   4          2HG       LYS   4  -0.544  -3.930  -0.649
   24   2HG   LYS   4          3HG       LYS   4   0.162  -5.242   0.274
   25   1HD   LYS   4          2HD       LYS   4  -1.881  -6.242   0.694
   26   2HD   LYS   4          3HD       LYS   4  -2.727  -4.713   0.827
   27   1HE   LYS   4          2HE       LYS   4  -1.814  -4.939  -1.893
   28   2HE   LYS   4          3HE       LYS   4  -2.542  -6.475  -1.465
   29   1HZ   LYS   4          1HZ       LYS   4  -4.391  -5.263  -2.074
   30   2HZ   LYS   4          2HZ       LYS   4  -4.394  -4.901  -0.486
   31    H    ASP   5           HN       ASP   5   1.763  -6.075   1.440
   32    HA   ASP   5           HA       ASP   5  -0.023  -8.183   1.792
   33   1HB   ASP   5          2HB       ASP   5   2.756  -7.780   0.820
   34   2HB   ASP   5          3HB       ASP   5   2.482  -9.370   1.503
   35    HD2  ASP   5           HD2      ASP   5   0.868 -10.793  -0.204
   36    H    ALA   6           HN       ALA   6   2.526  -6.702   3.756
   37    HA   ALA   6           HA       ALA   6   3.171  -8.867   5.398
   38   1HB   ALA   6          1HB       ALA   6   4.142  -7.185   6.836
   39   2HB   ALA   6          2HB       ALA   6   4.400  -6.674   5.151
   40   3HB   ALA   6          3HB       ALA   6   3.120  -5.913   6.126
   41    H    PHE   7           HN       PHE   7   0.399  -6.648   5.286
   42    HA   PHE   7           HA       PHE   7  -0.497  -7.262   7.913
   43   1HB   PHE   7          2HB       PHE   7  -1.046  -5.475   5.745
   44   2HB   PHE   7          3HB       PHE   7  -2.512  -6.422   5.909
   45    HD1  PHE   7           HD1      PHE   7  -0.086  -4.892   8.314
   46    HD2  PHE   7           HD2      PHE   7  -4.132  -5.331   7.114
   47    HE1  PHE   7           HE1      PHE   7  -0.811  -3.438  10.227
   48    HE2  PHE   7           HE2      PHE   7  -4.858  -3.877   9.027
   49    HZ   PHE   7           HZ       PHE   7  -3.189  -2.948  10.561
   50    H    ILE   8           HN       ILE   8  -0.646  -8.855   4.806
   51    HA   ILE   8           HA       ILE   8  -3.072 -10.267   5.332
   52    HB   ILE   8           HB       ILE   8  -0.906 -10.431   3.257
   53   1HG1  ILE   8          2HG1      ILE   8  -3.826 -10.015   2.726
   54   2HG1  ILE   8          3HG1      ILE   8  -2.898  -8.691   3.402
   55   1HG2  ILE   8          1HG2      ILE   8  -2.781 -12.081   2.241
   56   2HG2  ILE   8          2HG2      ILE   8  -1.350 -12.641   3.139
   57   3HG2  ILE   8          3HG2      ILE   8  -2.917 -12.488   3.969
   58   1HD1  ILE   8          1HD1      ILE   8  -2.182  -8.224   1.305
   59   2HD1  ILE   8          2HD1      ILE   8  -1.255  -9.743   1.349
   60   3HD1  ILE   8          3HD1      ILE   8  -2.902  -9.725   0.675
   61    H    GLY   9           HN       GLY   9   0.315 -10.579   6.197
   62   1HA   GLY   9          1HA       GLY   9   0.301 -13.394   6.666
   63   2HA   GLY   9          2HA       GLY   9   1.484 -12.223   7.213
   64    H    LEU  10           HN       LEU  10  -0.310 -10.435   8.645
   65    HA   LEU  10           HA       LEU  10  -0.495 -11.927  11.070
   66   1HB   LEU  10          2HB       LEU  10   0.172  -9.824  11.533
   67   2HB   LEU  10          3HB       LEU  10  -0.715  -9.113  10.200
   68    HG   LEU  10           HG       LEU  10  -2.202 -10.162  12.595
   69   1HD1  LEU  10          1HD1      LEU  10  -2.027  -7.987  13.686
   70   2HD1  LEU  10          2HD1      LEU  10  -0.425  -8.743  13.507
   71   3HD1  LEU  10          3HD1      LEU  10  -0.915  -7.424  12.416
   72   1HD2  LEU  10          1HD2      LEU  10  -3.942  -9.373  11.474
   73   2HD2  LEU  10          2HD2      LEU  10  -3.251  -7.735  11.568
   74   3HD2  LEU  10          3HD2      LEU  10  -2.873  -8.783  10.179
   75    H    MET  11           HN       MET  11  -2.786 -10.552   8.654
   76    HA   MET  11           HA       MET  11  -5.029 -11.388  10.185
   77   1HB   MET  11          2HB       MET  11  -4.463 -10.005   7.583
   78   2HB   MET  11          3HB       MET  11  -5.970 -10.898   7.618
   79   1HG   MET  11          2HG       MET  11  -5.225  -8.967   9.853
   80   2HG   MET  11          3HG       MET  11  -6.019  -8.408   8.394
   81   1HE   MET  11          1HE       MET  11  -8.470 -11.002   7.894
   82   2HE   MET  11          2HE       MET  11  -9.379  -9.531   8.318
   83   3HE   MET  11          3HE       MET  11  -7.871  -9.407   7.380
  Start of MODEL   12
    1    HN   PCA   1           HN       PCA   1  -0.548   0.000  -0.849
    2    HA   PCA   1           HA       PCA   1   1.817   0.727  -0.727
    3   1HB   PCA   1          3HB       PCA   1   2.727  -0.082   1.804
    4   2HB   PCA   1          2HB       PCA   1   2.022   1.518   1.423
    5   1HG   PCA   1          3HG       PCA   1   0.689  -0.828   2.747
    6   2HG   PCA   1          2HG       PCA   1   0.412   0.925   2.993
    7    HA   PRO   2           HA       PRO   2   3.497  -3.182  -1.542
    8   1HB   PRO   2          2HB       PRO   2   6.155  -3.005  -0.929
    9   2HB   PRO   2          3HB       PRO   2   5.461  -2.331  -2.391
   10   1HG   PRO   2          2HG       PRO   2   6.353  -0.930   0.054
   11   2HG   PRO   2          3HG       PRO   2   6.065  -0.272  -1.544
   12   1HD   PRO   2          2HD       PRO   2   4.349  -0.040   0.742
   13   2HD   PRO   2          3HD       PRO   2   4.009   0.516  -0.885
   14    H    SER   3           HN       SER   3   4.072  -2.081   1.687
   15    HA   SER   3           HA       SER   3   4.875  -4.602   2.626
   16   1HB   SER   3          2HB       SER   3   5.136  -2.187   3.663
   17   2HB   SER   3          3HB       SER   3   3.561  -2.499   4.365
   18    HG   SER   3           HG       SER   3   4.380  -4.246   5.531
   19    H    LYS   4           HN       LYS   4   1.811  -3.163   1.772
   20    HA   LYS   4           HA       LYS   4   0.128  -4.518   3.542
   21   1HB   LYS   4          2HB       LYS   4  -0.235  -2.557   1.772
   22   2HB   LYS   4          3HB       LYS   4  -0.764  -3.885   0.759
   23   1HG   LYS   4          2HG       LYS   4  -1.820  -3.845   3.571
   24   2HG   LYS   4          3HG       LYS   4  -2.417  -2.596   2.495
   25   1HD   LYS   4          2HD       LYS   4  -2.903  -4.493   0.797
   26   2HD   LYS   4          3HD       LYS   4  -2.600  -5.614   2.109
   27   1HE   LYS   4          2HE       LYS   4  -4.340  -4.004   3.403
   28   2HE   LYS   4          3HE       LYS   4  -4.867  -3.656   1.768
   29   1HZ   LYS   4          1HZ       LYS   4  -5.083  -6.149   3.249
   30   2HZ   LYS   4          2HZ       LYS   4  -6.083  -5.536   2.119
   31    H    ASP   5           HN       ASP   5   2.007  -5.577   0.777
   32    HA   ASP   5           HA       ASP   5   0.408  -7.781   0.133
   33   1HB   ASP   5          2HB       ASP   5   3.046  -6.684  -0.582
   34   2HB   ASP   5          3HB       ASP   5   3.076  -8.435  -0.524
   35    HD2  ASP   5           HD2      ASP   5   2.795  -6.094  -2.510
   36    H    ALA   6           HN       ALA   6   2.850  -7.041   2.589
   37    HA   ALA   6           HA       ALA   6   3.730  -9.629   3.168
   38   1HB   ALA   6          1HB       ALA   6   4.963  -8.525   4.710
   39   2HB   ALA   6          2HB       ALA   6   4.268  -7.044   4.010
   40   3HB   ALA   6          3HB       ALA   6   3.527  -7.779   5.451
   41    H    PHE   7           HN       PHE   7   0.766  -7.837   3.957
   42    HA   PHE   7           HA       PHE   7  -0.009  -9.582   6.063
   43   1HB   PHE   7          2HB       PHE   7  -0.768  -7.107   4.848
   44   2HB   PHE   7          3HB       PHE   7  -2.135  -8.165   4.556
   45    HD1  PHE   7           HD1      PHE   7  -0.517  -6.056   6.918
   46    HD2  PHE   7           HD2      PHE   7  -3.138  -9.377   6.595
   47    HE1  PHE   7           HE1      PHE   7  -1.344  -5.629   9.249
   48    HE2  PHE   7           HE2      PHE   7  -3.965  -8.951   8.926
   49    HZ   PHE   7           HZ       PHE   7  -3.058  -7.082  10.225
   50    H    ILE   8           HN       ILE   8  -0.090  -9.719   2.569
   51    HA   ILE   8           HA       ILE   8  -2.358 -11.447   2.412
   52    HB   ILE   8           HB       ILE   8  -0.287 -10.404   0.525
   53   1HG1  ILE   8          2HG1      ILE   8  -3.183 -10.383  -0.098
   54   2HG1  ILE   8          3HG1      ILE   8  -2.716  -9.457   1.315
   55   1HG2  ILE   8          1HG2      ILE   8  -1.545 -11.759  -1.266
   56   2HG2  ILE   8          2HG2      ILE   8  -0.320 -12.592  -0.280
   57   3HG2  ILE   8          3HG2      ILE   8  -2.050 -12.806   0.082
   58   1HD1  ILE   8          1HD1      ILE   8  -0.894  -9.088  -0.998
   59   2HD1  ILE   8          2HD1      ILE   8  -2.563  -8.542  -1.287
   60   3HD1  ILE   8          3HD1      ILE   8  -1.631  -7.874   0.074
   61    H    GLY   9           HN       GLY   9   1.060 -11.768   3.125
   62   1HA   GLY   9          1HA       GLY   9   1.430 -14.446   2.311
   63   2HA   GLY   9          2HA       GLY   9   2.379 -13.555   3.483
   64    H    LEU  10           HN       LEU  10   0.311 -12.903   5.387
   65    HA   LEU  10           HA       LEU  10   0.202 -15.408   6.750
   66   1HB   LEU  10          2HB       LEU  10   0.470 -13.887   8.344
   67   2HB   LEU  10          3HB       LEU  10  -0.140 -12.582   7.347
   68    HG   LEU  10           HG       LEU  10  -1.393 -13.085   9.501
   69   1HD1  LEU  10          1HD1      LEU  10  -3.497 -13.298   7.489
   70   2HD1  LEU  10          2HD1      LEU  10  -3.106 -11.972   8.610
   71   3HD1  LEU  10          3HD1      LEU  10  -2.246 -12.107   7.057
   72   1HD2  LEU  10          1HD2      LEU  10  -2.415 -15.034   9.885
   73   2HD2  LEU  10          2HD2      LEU  10  -3.033 -15.149   8.220
   74   3HD2  LEU  10          3HD2      LEU  10  -1.375 -15.681   8.593
   75    H    MET  11           HN       MET  11  -2.260 -13.096   5.415
   76    HA   MET  11           HA       MET  11  -4.310 -15.026   5.881
   77   1HB   MET  11          2HB       MET  11  -4.182 -12.245   5.631
   78   2HB   MET  11          3HB       MET  11  -4.857 -12.703   4.080
   79   1HG   MET  11          2HG       MET  11  -6.102 -14.145   6.354
   80   2HG   MET  11          3HG       MET  11  -6.302 -12.407   6.453
   81   1HE   MET  11          1HE       MET  11  -8.428 -14.548   6.243
   82   2HE   MET  11          2HE       MET  11  -9.362 -14.586   4.729
   83   3HE   MET  11          3HE       MET  11  -7.903 -15.591   4.899
  Start of MODEL   13
    1    HN   PCA   1           HN       PCA   1  -0.548   0.000  -0.849
    2    HA   PCA   1           HA       PCA   1   1.817   0.727  -0.727
    3   1HB   PCA   1          3HB       PCA   1   2.727  -0.082   1.804
    4   2HB   PCA   1          2HB       PCA   1   2.022   1.518   1.423
    5   1HG   PCA   1          3HG       PCA   1   0.689  -0.828   2.747
    6   2HG   PCA   1          2HG       PCA   1   0.412   0.925   2.993
    7    HA   PRO   2           HA       PRO   2   3.497  -3.182  -1.542
    8   1HB   PRO   2          2HB       PRO   2   6.155  -3.005  -0.929
    9   2HB   PRO   2          3HB       PRO   2   5.462  -2.331  -2.391
   10   1HG   PRO   2          2HG       PRO   2   6.353  -0.930   0.054
   11   2HG   PRO   2          3HG       PRO   2   6.065  -0.272  -1.544
   12   1HD   PRO   2          2HD       PRO   2   4.349  -0.040   0.742
   13   2HD   PRO   2          3HD       PRO   2   4.009   0.516  -0.885
   14    H    SER   3           HN       SER   3   4.064  -2.081   1.687
   15    HA   SER   3           HA       SER   3   4.874  -4.598   2.629
   16   1HB   SER   3          2HB       SER   3   4.460  -1.933   3.680
   17   2HB   SER   3          3HB       SER   3   3.671  -3.079   4.744
   18    HG   SER   3           HG       SER   3   6.443  -3.073   3.917
   19    H    LYS   4           HN       LYS   4   1.804  -3.169   1.773
   20    HA   LYS   4           HA       LYS   4   0.208  -4.750   3.524
   21   1HB   LYS   4          2HB       LYS   4  -0.427  -2.516   2.556
   22   2HB   LYS   4          3HB       LYS   4  -0.610  -3.292   0.996
   23   1HG   LYS   4          2HG       LYS   4  -2.060  -4.965   2.732
   24   2HG   LYS   4          3HG       LYS   4  -2.401  -3.356   3.338
   25   1HD   LYS   4          2HD       LYS   4  -2.505  -3.611   0.368
   26   2HD   LYS   4          3HD       LYS   4  -3.721  -4.539   1.222
   27   1HE   LYS   4          2HE       LYS   4  -3.429  -1.820   2.331
   28   2HE   LYS   4          3HE       LYS   4  -3.844  -1.793   0.629
   29   1HZ   LYS   4          1HZ       LYS   4  -5.405  -2.864   2.862
   30   2HZ   LYS   4          2HZ       LYS   4  -5.918  -2.022   1.566
   31    H    ASP   5           HN       ASP   5   1.845  -5.226   0.458
   32    HA   ASP   5           HA       ASP   5   0.156  -7.247  -0.489
   33   1HB   ASP   5          2HB       ASP   5   2.726  -6.013  -1.194
   34   2HB   ASP   5          3HB       ASP   5   2.772  -7.744  -1.463
   35    HD2  ASP   5           HD2      ASP   5   1.975  -5.074  -3.456
   36    H    ALA   6           HN       ALA   6   2.813  -7.033   1.847
   37    HA   ALA   6           HA       ALA   6   3.678  -9.689   1.813
   38   1HB   ALA   6          1HB       ALA   6   4.002  -7.272   3.419
   39   2HB   ALA   6          2HB       ALA   6   3.951  -8.731   4.438
   40   3HB   ALA   6          3HB       ALA   6   5.148  -8.602   3.127
   41    H    PHE   7           HN       PHE   7   0.829  -8.082   3.200
   42    HA   PHE   7           HA       PHE   7   0.193 -10.224   4.960
   43   1HB   PHE   7          2HB       PHE   7  -0.614  -7.541   4.336
   44   2HB   PHE   7          3HB       PHE   7  -2.028  -8.521   4.004
   45    HD1  PHE   7           HD1      PHE   7  -3.508  -8.859   5.734
   46    HD2  PHE   7           HD2      PHE   7   0.571  -8.153   6.667
   47    HE1  PHE   7           HE1      PHE   7  -4.063  -8.889   8.182
   48    HE2  PHE   7           HE2      PHE   7   0.017  -8.182   9.115
   49    HZ   PHE   7           HZ       PHE   7  -2.293  -8.549   9.843
   50    H    ILE   8           HN       ILE   8  -0.154  -9.649   1.538
   51    HA   ILE   8           HA       ILE   8  -2.491 -11.260   1.214
   52    HB   ILE   8           HB       ILE   8  -0.469 -10.369  -0.842
   53   1HG1  ILE   8          2HG1      ILE   8  -1.363  -8.482   0.533
   54   2HG1  ILE   8          3HG1      ILE   8  -1.746  -8.385  -1.175
   55   1HG2  ILE   8          1HG2      ILE   8  -3.394 -11.077  -1.181
   56   2HG2  ILE   8          2HG2      ILE   8  -2.208 -10.700  -2.454
   57   3HG2  ILE   8          3HG2      ILE   8  -2.045 -12.193  -1.500
   58   1HD1  ILE   8          1HD1      ILE   8  -3.635  -7.979   0.646
   59   2HD1  ILE   8          2HD1      ILE   8  -4.014  -8.871  -0.847
   60   3HD1  ILE   8          3HD1      ILE   8  -3.710  -9.757   0.666
   61    H    GLY   9           HN       GLY   9   0.976 -11.775   1.518
   62   1HA   GLY   9          1HA       GLY   9   1.079 -14.303   0.211
   63   2HA   GLY   9          2HA       GLY   9   2.266 -13.614   1.301
   64    H    LEU  10           HN       LEU  10   0.562 -13.185   3.609
   65    HA   LEU  10           HA       LEU  10   0.594 -15.851   4.628
   66   1HB   LEU  10          2HB       LEU  10  -0.040 -14.799   6.727
   67   2HB   LEU  10          3HB       LEU  10   1.348 -14.026   5.988
   68    HG   LEU  10           HG       LEU  10  -0.375 -12.314   5.057
   69   1HD1  LEU  10          1HD1      LEU  10  -2.153 -14.036   6.375
   70   2HD1  LEU  10          2HD1      LEU  10  -2.068 -12.572   7.385
   71   3HD1  LEU  10          3HD1      LEU  10  -2.506 -12.442   5.664
   72   1HD2  LEU  10          1HD2      LEU  10   0.684 -12.527   7.856
   73   2HD2  LEU  10          2HD2      LEU  10   1.173 -11.446   6.528
   74   3HD2  LEU  10          3HD2      LEU  10  -0.353 -11.154   7.398
   75    H    MET  11           HN       MET  11  -1.955 -13.355   3.976
   76    HA   MET  11           HA       MET  11  -4.017 -15.144   4.680
   77   1HB   MET  11          2HB       MET  11  -3.690 -12.362   4.053
   78   2HB   MET  11          3HB       MET  11  -4.845 -12.974   2.886
   79   1HG   MET  11          2HG       MET  11  -5.060 -13.259   5.923
   80   2HG   MET  11          3HG       MET  11  -6.000 -12.163   4.930
   81   1HE   MET  11          1HE       MET  11  -7.365 -12.921   2.913
   82   2HE   MET  11          2HE       MET  11  -6.421 -14.284   2.266
   83   3HE   MET  11          3HE       MET  11  -8.123 -14.521   2.729
  Start of MODEL   14
    1    HN   PCA   1           HN       PCA   1  -0.548   0.000  -0.849
    2    HA   PCA   1           HA       PCA   1   1.817   0.727  -0.727
    3   1HB   PCA   1          3HB       PCA   1   2.727  -0.082   1.804
    4   2HB   PCA   1          2HB       PCA   1   2.022   1.518   1.423
    5   1HG   PCA   1          3HG       PCA   1   0.689  -0.828   2.747
    6   2HG   PCA   1          2HG       PCA   1   0.412   0.925   2.993
    7    HA   PRO   2           HA       PRO   2   3.497  -3.182  -1.542
    8   1HB   PRO   2          2HB       PRO   2   6.155  -3.005  -0.929
    9   2HB   PRO   2          3HB       PRO   2   5.462  -2.331  -2.391
   10   1HG   PRO   2          2HG       PRO   2   6.353  -0.930   0.054
   11   2HG   PRO   2          3HG       PRO   2   6.065  -0.272  -1.544
   12   1HD   PRO   2          2HD       PRO   2   4.349  -0.040   0.742
   13   2HD   PRO   2          3HD       PRO   2   4.009   0.516  -0.885
   14    H    SER   3           HN       SER   3   4.054  -2.081   1.687
   15    HA   SER   3           HA       SER   3   4.677  -4.739   2.544
   16   1HB   SER   3          2HB       SER   3   4.966  -2.061   3.584
   17   2HB   SER   3          3HB       SER   3   4.074  -3.006   4.759
   18    HG   SER   3           HG       SER   3   6.695  -3.011   4.413
   19    H    LYS   4           HN       LYS   4   1.910  -3.498   1.418
   20    HA   LYS   4           HA       LYS   4   0.117  -4.018   3.576
   21   1HB   LYS   4          2HB       LYS   4  -0.241  -2.362   1.703
   22   2HB   LYS   4          3HB       LYS   4  -0.509  -3.719   0.628
   23   1HG   LYS   4          2HG       LYS   4  -2.369  -4.518   2.103
   24   2HG   LYS   4          3HG       LYS   4  -2.102  -3.158   3.175
   25   1HD   LYS   4          2HD       LYS   4  -3.705  -2.144   1.884
   26   2HD   LYS   4          3HD       LYS   4  -2.360  -1.813   0.811
   27   1HE   LYS   4          2HE       LYS   4  -3.686  -4.488   0.492
   28   2HE   LYS   4          3HE       LYS   4  -4.626  -3.093   0.002
   29   1HZ   LYS   4          1HZ       LYS   4  -2.532  -4.283  -1.406
   30   2HZ   LYS   4          2HZ       LYS   4  -3.376  -2.961  -1.842
   31    H    ASP   5           HN       ASP   5   1.594  -5.848   0.917
   32    HA   ASP   5           HA       ASP   5  -0.257  -7.948   0.994
   33   1HB   ASP   5          2HB       ASP   5   1.325  -9.127  -0.409
   34   2HB   ASP   5          3HB       ASP   5   1.355  -7.441  -0.889
   35    HD2  ASP   5           HD2      ASP   5   4.490  -8.737  -1.038
   36    H    ALA   6           HN       ALA   6   3.105  -7.458   2.312
   37    HA   ALA   6           HA       ALA   6   3.356  -9.906   3.579
   38   1HB   ALA   6          1HB       ALA   6   5.362  -9.023   4.099
   39   2HB   ALA   6          2HB       ALA   6   4.832  -7.542   3.267
   40   3HB   ALA   6          3HB       ALA   6   4.613  -7.701   5.026
   41    H    PHE   7           HN       PHE   7   1.462  -7.041   4.389
   42    HA   PHE   7           HA       PHE   7   1.176  -7.696   7.144
   43   1HB   PHE   7          2HB       PHE   7   0.632  -5.571   5.321
   44   2HB   PHE   7          3HB       PHE   7  -0.960  -6.110   5.819
   45    HD1  PHE   7           HD1      PHE   7  -1.825  -4.676   7.395
   46    HD2  PHE   7           HD2      PHE   7   2.281  -5.719   7.644
   47    HE1  PHE   7           HE1      PHE   7  -1.614  -3.342   9.511
   48    HE2  PHE   7           HE2      PHE   7   2.492  -4.386   9.760
   49    HZ   PHE   7           HZ       PHE   7   0.542  -3.213  10.669
   50    H    ILE   8           HN       ILE   8  -0.311  -8.745   4.143
   51    HA   ILE   8           HA       ILE   8  -2.779  -9.544   5.338
   52    HB   ILE   8           HB       ILE   8  -1.461  -9.844   2.670
   53   1HG1  ILE   8          2HG1      ILE   8  -4.272  -8.936   3.075
   54   2HG1  ILE   8          3HG1      ILE   8  -3.003  -7.886   3.673
   55   1HG2  ILE   8          1HG2      ILE   8  -3.595 -11.596   3.798
   56   2HG2  ILE   8          2HG2      ILE   8  -3.773 -11.035   2.118
   57   3HG2  ILE   8          3HG2      ILE   8  -2.325 -11.950   2.602
   58   1HD1  ILE   8          1HD1      ILE   8  -3.902  -8.087   1.009
   59   2HD1  ILE   8          2HD1      ILE   8  -2.450  -7.226   1.575
   60   3HD1  ILE   8          3HD1      ILE   8  -2.324  -8.911   1.015
   61    H    GLY   9           HN       GLY   9   0.467 -10.836   5.068
   62   1HA   GLY   9          1HA       GLY   9  -0.210 -13.593   5.322
   63   2HA   GLY   9          2HA       GLY   9   1.357 -12.849   5.573
   64    H    LEU  10           HN       LEU  10   0.380 -10.872   7.586
   65    HA   LEU  10           HA       LEU  10   0.605 -12.583   9.858
   66   1HB   LEU  10          2HB       LEU  10   1.741 -10.675  10.242
   67   2HB   LEU  10          3HB       LEU  10   0.663  -9.688   9.275
   68    HG   LEU  10           HG       LEU  10  -0.273 -10.763  11.922
   69   1HD1  LEU  10          1HD1      LEU  10   0.998  -8.068  11.873
   70   2HD1  LEU  10          2HD1      LEU  10   0.842  -9.246  13.198
   71   3HD1  LEU  10          3HD1      LEU  10   2.067  -9.490  11.930
   72   1HD2  LEU  10          1HD2      LEU  10  -2.083  -9.613  11.358
   73   2HD2  LEU  10          2HD2      LEU  10  -1.123  -8.118  11.464
   74   3HD2  LEU  10          3HD2      LEU  10  -1.278  -8.967   9.907
   75    H    MET  11           HN       MET  11  -1.976 -10.609   8.304
   76    HA   MET  11           HA       MET  11  -3.830 -11.139  10.356
   77   1HB   MET  11          2HB       MET  11  -3.660  -9.354   8.276
   78   2HB   MET  11          3HB       MET  11  -4.745 -10.522   7.548
   79   1HG   MET  11          2HG       MET  11  -5.754 -10.173  10.171
   80   2HG   MET  11          3HG       MET  11  -5.285  -8.561   9.668
   81   1HE   MET  11          1HE       MET  11  -7.538 -11.757   8.524
   82   2HE   MET  11          2HE       MET  11  -7.870 -10.828  10.006
   83   3HE   MET  11          3HE       MET  11  -8.984 -10.724   8.621
  Start of MODEL   15
    1    HN   PCA   1           HN       PCA   1  -0.548   0.000  -0.849
    2    HA   PCA   1           HA       PCA   1   1.817   0.727  -0.727
    3   1HB   PCA   1          3HB       PCA   1   2.727  -0.082   1.804
    4   2HB   PCA   1          2HB       PCA   1   2.022   1.518   1.423
    5   1HG   PCA   1          3HG       PCA   1   0.689  -0.828   2.747
    6   2HG   PCA   1          2HG       PCA   1   0.412   0.925   2.993
    7    HA   PRO   2           HA       PRO   2   3.497  -3.182  -1.542
    8   1HB   PRO   2          2HB       PRO   2   6.155  -3.005  -0.929
    9   2HB   PRO   2          3HB       PRO   2   5.461  -2.331  -2.391
   10   1HG   PRO   2          2HG       PRO   2   6.353  -0.929   0.054
   11   2HG   PRO   2          3HG       PRO   2   6.065  -0.272  -1.545
   12   1HD   PRO   2          2HD       PRO   2   4.349  -0.040   0.742
   13   2HD   PRO   2          3HD       PRO   2   4.009   0.516  -0.885
   14    H    SER   3           HN       SER   3   4.066  -2.081   1.687
   15    HA   SER   3           HA       SER   3   4.680  -4.742   2.542
   16   1HB   SER   3          2HB       SER   3   4.986  -2.065   3.580
   17   2HB   SER   3          3HB       SER   3   4.095  -3.006   4.759
   18    HG   SER   3           HG       SER   3   5.792  -4.397   5.024
   19    H    LYS   4           HN       LYS   4   1.915  -3.493   1.423
   20    HA   LYS   4           HA       LYS   4   0.119  -3.969   3.579
   21   1HB   LYS   4          2HB       LYS   4  -1.577  -3.382   2.065
   22   2HB   LYS   4          3HB       LYS   4  -0.207  -2.387   1.615
   23   1HG   LYS   4          2HG       LYS   4  -0.827  -3.192  -0.482
   24   2HG   LYS   4          3HG       LYS   4   0.355  -4.403  -0.031
   25   1HD   LYS   4          2HD       LYS   4  -1.317  -5.895  -0.500
   26   2HD   LYS   4          3HD       LYS   4  -1.899  -5.490   1.103
   27   1HE   LYS   4          2HE       LYS   4  -2.761  -3.591  -1.026
   28   2HE   LYS   4          3HE       LYS   4  -3.375  -5.220  -1.223
   29   1HZ   LYS   4          1HZ       LYS   4  -4.927  -4.267   0.196
   30   2HZ   LYS   4          2HZ       LYS   4  -3.950  -4.968   1.294
   31    H    ASP   5           HN       ASP   5   1.463  -5.851   0.848
   32    HA   ASP   5           HA       ASP   5  -0.333  -7.948   1.007
   33   1HB   ASP   5          2HB       ASP   5   1.269  -9.178  -0.322
   34   2HB   ASP   5          3HB       ASP   5   1.348  -7.504  -0.836
   35    HD2  ASP   5           HD2      ASP   5   4.526  -9.280   0.723
   36    H    ALA   6           HN       ALA   6   2.992  -7.454   2.413
   37    HA   ALA   6           HA       ALA   6   3.184  -9.868   3.752
   38   1HB   ALA   6          1HB       ALA   6   4.566  -8.040   5.318
   39   2HB   ALA   6          2HB       ALA   6   5.205  -8.865   3.876
   40   3HB   ALA   6          3HB       ALA   6   4.501  -7.237   3.731
   41    H    PHE   7           HN       PHE   7   1.278  -6.976   4.422
   42    HA   PHE   7           HA       PHE   7   0.903  -7.546   7.184
   43   1HB   PHE   7          2HB       PHE   7   0.424  -5.476   5.288
   44   2HB   PHE   7          3HB       PHE   7  -1.186  -6.006   5.730
   45    HD1  PHE   7           HD1      PHE   7  -2.194  -5.016   7.555
   46    HD2  PHE   7           HD2      PHE   7   2.044  -5.073   7.357
   47    HE1  PHE   7           HE1      PHE   7  -2.078  -3.625   9.641
   48    HE2  PHE   7           HE2      PHE   7   2.161  -3.682   9.443
   49    HZ   PHE   7           HZ       PHE   7   0.098  -2.975  10.560
   50    H    ILE   8           HN       ILE   8  -0.502  -8.676   4.168
   51    HA   ILE   8           HA       ILE   8  -2.998  -9.450   5.320
   52    HB   ILE   8           HB       ILE   8  -1.626 -10.047   2.703
   53   1HG1  ILE   8          2HG1      ILE   8  -2.287  -7.780   2.777
   54   2HG1  ILE   8          3HG1      ILE   8  -3.509  -8.610   1.834
   55   1HG2  ILE   8          1HG2      ILE   8  -3.904 -11.380   3.950
   56   2HG2  ILE   8          2HG2      ILE   8  -4.305 -10.658   2.373
   57   3HG2  ILE   8          3HG2      ILE   8  -2.963 -11.819   2.504
   58   1HD1  ILE   8          1HD1      ILE   8  -3.713  -7.403   4.574
   59   2HD1  ILE   8          2HD1      ILE   8  -4.905  -7.428   3.252
   60   3HD1  ILE   8          3HD1      ILE   8  -4.665  -8.874   4.262
   61    H    GLY   9           HN       GLY   9   0.255 -10.737   5.176
   62   1HA   GLY   9          1HA       GLY   9  -0.359 -13.489   5.412
   63   2HA   GLY   9          2HA       GLY   9   1.150 -12.698   5.824
   64    H    LEU  10           HN       LEU  10   0.158 -10.815   7.790
   65    HA   LEU  10           HA       LEU  10   0.021 -12.594  10.017
   66   1HB   LEU  10          2HB       LEU  10   1.204 -10.857  10.729
   67   2HB   LEU  10          3HB       LEU  10   0.566  -9.784   9.499
   68    HG   LEU  10           HG       LEU  10   0.148  -9.154  11.926
   69   1HD1  LEU  10          1HD1      LEU  10  -1.483  -7.839  11.167
   70   2HD1  LEU  10          2HD1      LEU  10  -1.330  -8.720   9.628
   71   3HD1  LEU  10          3HD1      LEU  10  -2.553  -9.219  10.821
   72   1HD2  LEU  10          1HD2      LEU  10  -0.821 -11.758  12.103
   73   2HD2  LEU  10          2HD2      LEU  10  -0.979 -10.470  13.322
   74   3HD2  LEU  10          3HD2      LEU  10  -2.280 -10.739  12.138
   75    H    MET  11           HN       MET  11  -2.184 -10.087   8.589
   76    HA   MET  11           HA       MET  11  -4.261 -10.752  10.359
   77   1HB   MET  11          2HB       MET  11  -3.693  -8.849   8.228
   78   2HB   MET  11          3HB       MET  11  -5.268  -9.554   7.923
   79   1HG   MET  11          2HG       MET  11  -4.371  -8.178  10.500
   80   2HG   MET  11          3HG       MET  11  -5.525  -7.556   9.337
   81   1HE   MET  11          1HE       MET  11  -7.297  -9.442   8.399
   82   2HE   MET  11          2HE       MET  11  -8.498  -9.990   9.593
   83   3HE   MET  11          3HE       MET  11  -8.174  -8.252   9.390
  Start of MODEL   16
    1    HN   PCA   1           HN       PCA   1  -0.548   0.000  -0.849
    2    HA   PCA   1           HA       PCA   1   1.817   0.727  -0.727
    3   1HB   PCA   1          3HB       PCA   1   2.727  -0.082   1.804
    4   2HB   PCA   1          2HB       PCA   1   2.022   1.518   1.423
    5   1HG   PCA   1          3HG       PCA   1   0.689  -0.828   2.747
    6   2HG   PCA   1          2HG       PCA   1   0.412   0.925   2.993
    7    HA   PRO   2           HA       PRO   2   2.534  -3.938  -0.094
    8   1HB   PRO   2          2HB       PRO   2   0.325  -5.541  -0.221
    9   2HB   PRO   2          3HB       PRO   2   1.061  -5.042   1.289
   10   1HG   PRO   2          2HG       PRO   2  -1.433  -4.071   0.033
   11   2HG   PRO   2          3HG       PRO   2  -0.908  -3.911   1.697
   12   1HD   PRO   2          2HD       PRO   2  -0.857  -1.875  -0.322
   13   2HD   PRO   2          3HD       PRO   2  -0.226  -1.751   1.308
   14    H    SER   3           HN       SER   3   0.089  -2.705  -2.206
   15    HA   SER   3           HA       SER   3   0.804  -4.593  -4.231
   16   1HB   SER   3          2HB       SER   3  -1.380  -2.779  -3.705
   17   2HB   SER   3          3HB       SER   3  -0.737  -2.408  -5.293
   18    HG   SER   3           HG       SER   3  -1.209  -4.457  -6.025
   19    H    LYS   4           HN       LYS   4   2.495  -2.139  -2.950
   20    HA   LYS   4           HA       LYS   4   3.056  -0.394  -5.038
   21   1HB   LYS   4          2HB       LYS   4   3.644  -0.229  -2.551
   22   2HB   LYS   4          3HB       LYS   4   5.020  -1.254  -2.906
   23   1HG   LYS   4          2HG       LYS   4   5.815   0.377  -4.614
   24   2HG   LYS   4          3HG       LYS   4   4.419   1.393  -4.311
   25   1HD   LYS   4          2HD       LYS   4   5.212   2.122  -2.240
   26   2HD   LYS   4          3HD       LYS   4   6.094   0.640  -1.928
   27   1HE   LYS   4          2HE       LYS   4   7.399   1.636  -4.185
   28   2HE   LYS   4          3HE       LYS   4   6.984   3.103  -3.320
   29   1HZ   LYS   4          1HZ       LYS   4   8.434   2.591  -1.667
   30   2HZ   LYS   4          2HZ       LYS   4   8.058   1.007  -1.636
   31    H    ASP   5           HN       ASP   5   3.894  -3.759  -4.527
   32    HA   ASP   5           HA       ASP   5   6.204  -3.755  -6.106
   33   1HB   ASP   5          2HB       ASP   5   4.792  -5.592  -4.520
   34   2HB   ASP   5          3HB       ASP   5   4.615  -6.250  -6.134
   35    HD2  ASP   5           HD2      ASP   5   7.612  -7.532  -6.356
   36    H    ALA   6           HN       ALA   6   2.713  -3.830  -6.703
   37    HA   ALA   6           HA       ALA   6   2.695  -5.043  -9.220
   38   1HB   ALA   6          1HB       ALA   6   0.761  -2.848  -8.609
   39   2HB   ALA   6          2HB       ALA   6   0.465  -4.507  -9.185
   40   3HB   ALA   6          3HB       ALA   6   0.819  -4.211  -7.466
   41    H    PHE   7           HN       PHE   7   3.576  -1.789  -8.099
   42    HA   PHE   7           HA       PHE   7   3.424  -0.605 -10.679
   43   1HB   PHE   7          2HB       PHE   7   3.801   0.109  -7.933
   44   2HB   PHE   7          3HB       PHE   7   5.306   0.564  -8.708
   45    HD1  PHE   7           HD1      PHE   7   4.718   1.691 -11.200
   46    HD2  PHE   7           HD2      PHE   7   2.364   1.879  -7.673
   47    HE1  PHE   7           HE1      PHE   7   3.653   3.810 -12.023
   48    HE2  PHE   7           HE2      PHE   7   1.300   3.997  -8.497
   49    HZ   PHE   7           HZ       PHE   7   1.957   4.938 -10.661
   50    H    ILE   8           HN       ILE   8   5.722  -2.650  -9.018
   51    HA   ILE   8           HA       ILE   8   8.014  -1.700 -10.432
   52    HB   ILE   8           HB       ILE   8   7.400  -3.984  -8.595
   53   1HG1  ILE   8          2HG1      ILE   8   9.682  -2.096  -8.248
   54   2HG1  ILE   8          3HG1      ILE   8   8.068  -1.442  -8.057
   55   1HG2  ILE   8          1HG2      ILE   8   8.819  -5.207  -9.902
   56   2HG2  ILE   8          2HG2      ILE   8   9.686  -3.775 -10.506
   57   3HG2  ILE   8          3HG2      ILE   8  10.002  -4.379  -8.862
   58   1HD1  ILE   8          1HD1      ILE   8   9.554  -2.967  -6.165
   59   2HD1  ILE   8          2HD1      ILE   8   7.874  -2.397  -6.015
   60   3HD1  ILE   8          3HD1      ILE   8   8.211  -4.005  -6.701
   61    H    GLY   9           HN       GLY   9   5.344  -3.889 -11.056
   62   1HA   GLY   9          1HA       GLY   9   6.607  -5.551 -12.969
   63   2HA   GLY   9          2HA       GLY   9   4.887  -5.288 -12.760
   64    H    LEU  10           HN       LEU  10   4.771  -2.437 -13.158
   65    HA   LEU  10           HA       LEU  10   4.861  -2.409 -16.008
   66   1HB   LEU  10          2HB       LEU  10   3.045  -1.275 -15.302
   67   2HB   LEU  10          3HB       LEU  10   3.809  -0.719 -13.826
   68    HG   LEU  10           HG       LEU  10   4.657   0.436 -16.470
   69   1HD1  LEU  10          1HD1      LEU  10   2.250   1.361 -14.877
   70   2HD1  LEU  10          2HD1      LEU  10   2.946   2.160 -16.307
   71   3HD1  LEU  10          3HD1      LEU  10   2.204   0.550 -16.460
   72   1HD2  LEU  10          1HD2      LEU  10   5.232   0.915 -13.695
   73   2HD2  LEU  10          2HD2      LEU  10   5.958   1.647 -15.146
   74   3HD2  LEU  10          3HD2      LEU  10   4.502   2.369 -14.419
   75    H    MET  11           HN       MET  11   6.719  -0.906 -13.313
   76    HA   MET  11           HA       MET  11   8.354   0.509 -15.179
   77   1HB   MET  11          2HB       MET  11   7.793   0.502 -12.313
   78   2HB   MET  11          3HB       MET  11   9.528   0.412 -12.544
   79   1HG   MET  11          2HG       MET  11   9.437   2.683 -12.794
   80   2HG   MET  11          3HG       MET  11   8.837   2.349 -14.406
   81   1HE   MET  11          1HE       MET  11   7.395   5.050 -14.003
   82   2HE   MET  11          2HE       MET  11   7.373   3.700 -15.162
   83   3HE   MET  11          3HE       MET  11   5.849   4.298 -14.464
  Start of MODEL   17
    1    HN   PCA   1           HN       PCA   1  -0.548   0.000  -0.849
    2    HA   PCA   1           HA       PCA   1   1.817   0.727  -0.727
    3   1HB   PCA   1          3HB       PCA   1   2.727  -0.082   1.804
    4   2HB   PCA   1          2HB       PCA   1   2.022   1.518   1.423
    5   1HG   PCA   1          3HG       PCA   1   0.689  -0.828   2.747
    6   2HG   PCA   1          2HG       PCA   1   0.412   0.925   2.993
    7    HA   PRO   2           HA       PRO   2   2.535  -3.938  -0.094
    8   1HB   PRO   2          2HB       PRO   2   0.325  -5.541  -0.221
    9   2HB   PRO   2          3HB       PRO   2   1.061  -5.042   1.289
   10   1HG   PRO   2          2HG       PRO   2  -1.433  -4.071   0.033
   11   2HG   PRO   2          3HG       PRO   2  -0.908  -3.911   1.697
   12   1HD   PRO   2          2HD       PRO   2  -0.857  -1.875  -0.321
   13   2HD   PRO   2          3HD       PRO   2  -0.226  -1.751   1.308
   14    H    SER   3           HN       SER   3   0.091  -2.703  -2.206
   15    HA   SER   3           HA       SER   3   0.770  -4.598  -4.228
   16   1HB   SER   3          2HB       SER   3  -1.337  -2.667  -3.727
   17   2HB   SER   3          3HB       SER   3  -0.690  -2.400  -5.333
   18    HG   SER   3           HG       SER   3  -1.143  -5.106  -4.639
   19    H    LYS   4           HN       LYS   4   1.881  -1.486  -3.099
   20    HA   LYS   4           HA       LYS   4   2.773  -0.333  -5.452
   21   1HB   LYS   4          2HB       LYS   4   3.421  -0.102  -2.553
   22   2HB   LYS   4          3HB       LYS   4   4.595   0.551  -3.678
   23   1HG   LYS   4          2HG       LYS   4   2.660   1.786  -4.827
   24   2HG   LYS   4          3HG       LYS   4   1.636   1.274  -3.500
   25   1HD   LYS   4          2HD       LYS   4   2.851   2.556  -1.896
   26   2HD   LYS   4          3HD       LYS   4   4.255   2.702  -2.936
   27   1HE   LYS   4          2HE       LYS   4   3.458   4.654  -3.767
   28   2HE   LYS   4          3HE       LYS   4   2.031   3.833  -4.367
   29   1HZ   LYS   4          1HZ       LYS   4   2.295   4.784  -1.565
   30   2HZ   LYS   4          2HZ       LYS   4   1.540   5.630  -2.735
   31    H    ASP   5           HN       ASP   5   3.881  -3.168  -3.710
   32    HA   ASP   5           HA       ASP   5   6.510  -3.123  -4.665
   33   1HB   ASP   5          2HB       ASP   5   4.954  -4.713  -2.936
   34   2HB   ASP   5          3HB       ASP   5   5.359  -5.807  -4.244
   35    HD2  ASP   5           HD2      ASP   5   7.215  -3.595  -2.038
   36    H    ALA   6           HN       ALA   6   3.353  -4.093  -5.951
   37    HA   ALA   6           HA       ALA   6   4.180  -5.932  -7.884
   38   1HB   ALA   6          1HB       ALA   6   1.838  -3.990  -7.980
   39   2HB   ALA   6          2HB       ALA   6   1.985  -5.536  -8.850
   40   3HB   ALA   6          3HB       ALA   6   1.840  -5.523  -7.076
   41    H    PHE   7           HN       PHE   7   4.286  -2.385  -7.707
   42    HA   PHE   7           HA       PHE   7   4.688  -2.024 -10.498
   43   1HB   PHE   7          2HB       PHE   7   4.207  -0.513  -8.117
   44   2HB   PHE   7          3HB       PHE   7   5.792   0.012  -8.648
   45    HD1  PHE   7           HD1      PHE   7   6.057   1.353 -10.614
   46    HD2  PHE   7           HD2      PHE   7   2.238  -0.181  -9.581
   47    HE1  PHE   7           HE1      PHE   7   4.988   2.889 -12.287
   48    HE2  PHE   7           HE2      PHE   7   1.169   1.355 -11.254
   49    HZ   PHE   7           HZ       PHE   7   2.557   2.871 -12.587
   50    H    ILE   8           HN       ILE   8   6.696  -3.000  -7.809
   51    HA   ILE   8           HA       ILE   8   9.140  -2.024  -8.917
   52    HB   ILE   8           HB       ILE   8   8.323  -3.723  -6.602
   53   1HG1  ILE   8          2HG1      ILE   8  10.319  -1.529  -6.413
   54   2HG1  ILE   8          3HG1      ILE   8   8.695  -1.057  -6.872
   55   1HG2  ILE   8          1HG2      ILE   8  10.114  -5.057  -7.253
   56   2HG2  ILE   8          2HG2      ILE   8  11.053  -3.676  -7.870
   57   3HG2  ILE   8          3HG2      ILE   8  10.853  -3.904  -6.116
   58   1HD1  ILE   8          1HD1      ILE   8   9.592  -1.548  -4.265
   59   2HD1  ILE   8          2HD1      ILE   8   7.892  -1.419  -4.777
   60   3HD1  ILE   8          3HD1      ILE   8   8.673  -3.016  -4.677
   61    H    GLY   9           HN       GLY   9   7.052  -4.808  -9.369
   62   1HA   GLY   9          1HA       GLY   9   9.044  -6.587 -10.373
   63   2HA   GLY   9          2HA       GLY   9   7.304  -6.732 -10.525
   64    H    LEU  10           HN       LEU  10   7.092  -3.925 -11.710
   65    HA   LEU  10           HA       LEU  10   7.442  -4.746 -14.420
   66   1HB   LEU  10          2HB       LEU  10   5.560  -3.518 -14.246
   67   2HB   LEU  10          3HB       LEU  10   6.179  -2.521 -12.945
   68    HG   LEU  10           HG       LEU  10   7.260  -2.178 -15.730
   69   1HD1  LEU  10          1HD1      LEU  10   4.764  -0.788 -14.730
   70   2HD1  LEU  10          2HD1      LEU  10   5.533  -0.642 -16.329
   71   3HD1  LEU  10          3HD1      LEU  10   4.758  -2.171 -15.850
   72   1HD2  LEU  10          1HD2      LEU  10   7.097   0.291 -14.643
   73   2HD2  LEU  10          2HD2      LEU  10   7.292  -0.690 -13.171
   74   3HD2  LEU  10          3HD2      LEU  10   8.505  -0.784 -14.470
   75    H    MET  11           HN       MET  11   9.028  -2.444 -12.148
   76    HA   MET  11           HA       MET  11  10.771  -1.486 -14.163
   77   1HB   MET  11          2HB       MET  11  10.047  -0.872 -11.433
   78   2HB   MET  11          3HB       MET  11  11.785  -1.097 -11.456
   79   1HG   MET  11          2HG       MET  11  11.605   1.185 -11.996
   80   2HG   MET  11          3HG       MET  11  11.720   0.463 -13.589
   81   1HE   MET  11          1HE       MET  11   8.105   2.002 -11.363
   82   2HE   MET  11          2HE       MET  11   8.020   0.232 -11.530
   83   3HE   MET  11          3HE       MET  11   9.432   0.986 -10.752
  Start of MODEL   18
    1    HN   PCA   1           HN       PCA   1  -0.548   0.000  -0.849
    2    HA   PCA   1           HA       PCA   1   1.817   0.727  -0.727
    3   1HB   PCA   1          3HB       PCA   1   2.727  -0.082   1.804
    4   2HB   PCA   1          2HB       PCA   1   2.022   1.518   1.423
    5   1HG   PCA   1          3HG       PCA   1   0.689  -0.828   2.747
    6   2HG   PCA   1          2HG       PCA   1   0.412   0.925   2.993
    7    HA   PRO   2           HA       PRO   2   2.534  -3.938  -0.094
    8   1HB   PRO   2          2HB       PRO   2   0.325  -5.541  -0.221
    9   2HB   PRO   2          3HB       PRO   2   1.061  -5.042   1.289
   10   1HG   PRO   2          2HG       PRO   2  -1.433  -4.071   0.033
   11   2HG   PRO   2          3HG       PRO   2  -0.908  -3.911   1.697
   12   1HD   PRO   2          2HD       PRO   2  -0.857  -1.874  -0.322
   13   2HD   PRO   2          3HD       PRO   2  -0.226  -1.751   1.308
   14    H    SER   3           HN       SER   3   0.091  -2.703  -2.207
   15    HA   SER   3           HA       SER   3   0.682  -4.609  -4.220
   16   1HB   SER   3          2HB       SER   3  -0.865  -3.314  -5.600
   17   2HB   SER   3          3HB       SER   3  -1.544  -3.507  -3.996
   18    HG   SER   3           HG       SER   3  -1.800  -1.331  -4.621
   19    H    LYS   4           HN       LYS   4   1.755  -1.337  -3.293
   20    HA   LYS   4           HA       LYS   4   2.928  -0.573  -5.692
   21   1HB   LYS   4          2HB       LYS   4   3.486   0.129  -2.805
   22   2HB   LYS   4          3HB       LYS   4   4.381   0.851  -4.128
   23   1HG   LYS   4          2HG       LYS   4   1.821   1.179  -5.059
   24   2HG   LYS   4          3HG       LYS   4   1.521   1.237  -3.333
   25   1HD   LYS   4          2HD       LYS   4   3.655   2.887  -3.384
   26   2HD   LYS   4          3HD       LYS   4   3.144   3.114  -5.044
   27   1HE   LYS   4          2HE       LYS   4   0.776   3.222  -3.414
   28   2HE   LYS   4          3HE       LYS   4   1.982   4.225  -2.633
   29   1HZ   LYS   4          1HZ       LYS   4   0.960   4.489  -5.398
   30   2HZ   LYS   4          2HZ       LYS   4   0.933   5.608  -4.215
   31    H    ASP   5           HN       ASP   5   3.830  -3.004  -3.326
   32    HA   ASP   5           HA       ASP   5   6.561  -3.037  -3.977
   33   1HB   ASP   5          2HB       ASP   5   4.891  -4.250  -2.084
   34   2HB   ASP   5          3HB       ASP   5   5.376  -5.601  -3.089
   35    HD2  ASP   5           HD2      ASP   5   8.838  -4.516  -2.309
   36    H    ALA   6           HN       ALA   6   3.568  -4.576  -5.194
   37    HA   ALA   6           HA       ALA   6   4.696  -6.660  -6.651
   38   1HB   ALA   6          1HB       ALA   6   2.182  -5.791  -6.074
   39   2HB   ALA   6          2HB       ALA   6   2.312  -5.279  -7.774
   40   3HB   ALA   6          3HB       ALA   6   2.545  -6.989  -7.338
   41    H    PHE   7           HN       PHE   7   4.501  -3.165  -7.234
   42    HA   PHE   7           HA       PHE   7   5.074  -3.360 -10.013
   43   1HB   PHE   7          2HB       PHE   7   4.632  -1.360  -7.855
   44   2HB   PHE   7          3HB       PHE   7   5.862  -0.827  -8.983
   45    HD1  PHE   7           HD1      PHE   7   5.290  -0.125 -11.190
   46    HD2  PHE   7           HD2      PHE   7   2.328  -1.828  -8.672
   47    HE1  PHE   7           HE1      PHE   7   3.502   0.632 -12.781
   48    HE2  PHE   7           HE2      PHE   7   0.541  -1.070 -10.263
   49    HZ   PHE   7           HZ       PHE   7   1.149   0.151 -12.298
   50    H    ILE   8           HN       ILE   8   6.948  -3.557  -7.071
   51    HA   ILE   8           HA       ILE   8   9.379  -2.597  -8.222
   52    HB   ILE   8           HB       ILE   8   8.845  -4.174  -5.702
   53   1HG1  ILE   8          2HG1      ILE   8   7.642  -2.056  -5.708
   54   2HG1  ILE   8          3HG1      ILE   8   8.960  -2.021  -4.555
   55   1HG2  ILE   8          1HG2      ILE   8  11.316  -3.215  -6.975
   56   2HG2  ILE   8          2HG2      ILE   8  11.129  -2.730  -5.273
   57   3HG2  ILE   8          3HG2      ILE   8  11.067  -4.452  -5.719
   58   1HD1  ILE   8          1HD1      ILE   8   8.514  -0.325  -6.886
   59   2HD1  ILE   8          2HD1      ILE   8   9.683  -0.124  -5.559
   60   3HD1  ILE   8          3HD1      ILE   8  10.109  -1.112  -6.978
   61    H    GLY   9           HN       GLY   9   7.573  -5.606  -8.182
   62   1HA   GLY   9          1HA       GLY   9   9.748  -7.374  -8.637
   63   2HA   GLY   9          2HA       GLY   9   8.048  -7.679  -8.929
   64    H    LEU  10           HN       LEU  10   7.530  -5.467 -10.754
   65    HA   LEU  10           HA       LEU  10   8.455  -6.692 -13.140
   66   1HB   LEU  10          2HB       LEU  10   7.163  -3.995 -13.038
   67   2HB   LEU  10          3HB       LEU  10   7.015  -5.257 -14.244
   68    HG   LEU  10           HG       LEU  10   5.606  -4.943 -11.627
   69   1HD1  LEU  10          1HD1      LEU  10   3.998  -6.220 -13.534
   70   2HD1  LEU  10          2HD1      LEU  10   3.960  -4.507 -13.051
   71   3HD1  LEU  10          3HD1      LEU  10   4.946  -5.018 -14.442
   72   1HD2  LEU  10          1HD2      LEU  10   6.110  -7.042 -11.016
   73   2HD2  LEU  10          2HD2      LEU  10   4.925  -7.502 -12.262
   74   3HD2  LEU  10          3HD2      LEU  10   6.663  -7.499 -12.644
   75    H    MET  11           HN       MET  11   9.446  -3.924 -11.132
   76    HA   MET  11           HA       MET  11  11.139  -2.868 -13.148
   77   1HB   MET  11          2HB       MET  11  10.334  -2.275 -10.345
   78   2HB   MET  11          3HB       MET  11  12.011  -1.875 -10.661
   79   1HG   MET  11          2HG       MET  11  11.008   0.113 -11.345
   80   2HG   MET  11          3HG       MET  11  11.003  -0.749 -12.871
   81   1HE   MET  11          1HE       MET  11   7.542  -0.146 -13.842
   82   2HE   MET  11          2HE       MET  11   9.260   0.275 -14.045
   83   3HE   MET  11          3HE       MET  11   8.740  -1.423 -14.160
  Start of MODEL   19
    1    HN   PCA   1           HN       PCA   1  -0.548   0.000  -0.849
    2    HA   PCA   1           HA       PCA   1   1.817   0.727  -0.727
    3   1HB   PCA   1          3HB       PCA   1   2.727  -0.082   1.804
    4   2HB   PCA   1          2HB       PCA   1   2.022   1.518   1.423
    5   1HG   PCA   1          3HG       PCA   1   0.689  -0.828   2.747
    6   2HG   PCA   1          2HG       PCA   1   0.412   0.925   2.993
    7    HA   PRO   2           HA       PRO   2   2.534  -3.938  -0.094
    8   1HB   PRO   2          2HB       PRO   2   0.325  -5.541  -0.221
    9   2HB   PRO   2          3HB       PRO   2   1.061  -5.042   1.289
   10   1HG   PRO   2          2HG       PRO   2  -1.433  -4.071   0.033
   11   2HG   PRO   2          3HG       PRO   2  -0.908  -3.911   1.697
   12   1HD   PRO   2          2HD       PRO   2  -0.857  -1.875  -0.322
   13   2HD   PRO   2          3HD       PRO   2  -0.226  -1.751   1.308
   14    H    SER   3           HN       SER   3   0.092  -2.702  -2.207
   15    HA   SER   3           HA       SER   3   0.685  -4.608  -4.220
   16   1HB   SER   3          2HB       SER   3  -1.318  -2.629  -3.721
   17   2HB   SER   3          3HB       SER   3  -0.581  -2.209  -5.254
   18    HG   SER   3           HG       SER   3  -1.697  -4.788  -4.544
   19    H    LYS   4           HN       LYS   4   2.208  -1.774  -3.015
   20    HA   LYS   4           HA       LYS   4   3.207  -0.751  -5.465
   21   1HB   LYS   4          2HB       LYS   4   3.049   0.134  -2.856
   22   2HB   LYS   4          3HB       LYS   4   4.761  -0.198  -3.030
   23   1HG   LYS   4          2HG       LYS   4   4.547   2.041  -3.788
   24   2HG   LYS   4          3HG       LYS   4   4.626   1.112  -5.271
   25   1HD   LYS   4          2HD       LYS   4   2.307   1.346  -5.706
   26   2HD   LYS   4          3HD       LYS   4   1.923   1.683  -4.029
   27   1HE   LYS   4          2HE       LYS   4   2.430   3.928  -4.215
   28   2HE   LYS   4          3HE       LYS   4   3.786   3.644  -5.289
   29   1HZ   LYS   4          1HZ       LYS   4   1.381   4.582  -6.091
   30   2HZ   LYS   4          2HZ       LYS   4   2.457   3.882  -7.092
   31    H    ASP   5           HN       ASP   5   4.015  -3.441  -3.367
   32    HA   ASP   5           HA       ASP   5   6.714  -3.604  -4.089
   33   1HB   ASP   5          2HB       ASP   5   4.710  -5.230  -2.640
   34   2HB   ASP   5          3HB       ASP   5   5.878  -6.215  -3.498
   35    HD2  ASP   5           HD2      ASP   5   6.197  -3.863  -0.540
   36    H    ALA   6           HN       ALA   6   3.625  -4.575  -5.531
   37    HA   ALA   6           HA       ALA   6   4.514  -6.639  -7.189
   38   1HB   ALA   6          1HB       ALA   6   2.318  -6.671  -7.672
   39   2HB   ALA   6          2HB       ALA   6   2.124  -5.244  -6.627
   40   3HB   ALA   6          3HB       ALA   6   2.399  -5.036  -8.373
   41    H    PHE   7           HN       PHE   7   4.772  -3.101  -7.367
   42    HA   PHE   7           HA       PHE   7   5.414  -3.058 -10.138
   43   1HB   PHE   7          2HB       PHE   7   4.821  -1.282  -7.962
   44   2HB   PHE   7          3HB       PHE   7   6.451  -0.862  -8.450
   45    HD1  PHE   7           HD1      PHE   7   2.952  -0.672  -9.288
   46    HD2  PHE   7           HD2      PHE   7   6.876  -0.155 -10.818
   47    HE1  PHE   7           HE1      PHE   7   2.033   0.693 -11.185
   48    HE2  PHE   7           HE2      PHE   7   5.958   1.209 -12.714
   49    HZ   PHE   7           HZ       PHE   7   3.547   1.617 -12.875
   50    H    ILE   8           HN       ILE   8   7.142  -3.838  -7.211
   51    HA   ILE   8           HA       ILE   8   9.712  -3.052  -8.180
   52    HB   ILE   8           HB       ILE   8   8.708  -4.634  -5.829
   53   1HG1  ILE   8          2HG1      ILE   8  10.392  -2.163  -5.675
   54   2HG1  ILE   8          3HG1      ILE   8   8.713  -1.996  -6.146
   55   1HG2  ILE   8          1HG2      ILE   8  11.494  -4.438  -6.896
   56   2HG2  ILE   8          2HG2      ILE   8  11.243  -4.382  -5.135
   57   3HG2  ILE   8          3HG2      ILE   8  10.671  -5.783  -6.072
   58   1HD1  ILE   8          1HD1      ILE   8   8.765  -3.817  -3.934
   59   2HD1  ILE   8          2HD1      ILE   8   9.800  -2.433  -3.509
   60   3HD1  ILE   8          3HD1      ILE   8   8.103  -2.165  -3.976
   61    H    GLY   9           HN       GLY   9   7.564  -5.817  -8.515
   62   1HA   GLY   9          1HA       GLY   9   9.555  -7.740  -9.185
   63   2HA   GLY   9          2HA       GLY   9   7.830  -7.843  -9.473
   64    H    LEU  10           HN       LEU  10   7.489  -5.426 -11.040
   65    HA   LEU  10           HA       LEU  10   8.371  -6.453 -13.553
   66   1HB   LEU  10          2HB       LEU  10   7.105  -4.597 -14.483
   67   2HB   LEU  10          3HB       LEU  10   6.171  -5.527 -13.328
   68    HG   LEU  10           HG       LEU  10   6.864  -3.692 -11.619
   69   1HD1  LEU  10          1HD1      LEU  10   8.014  -1.923 -12.303
   70   2HD1  LEU  10          2HD1      LEU  10   8.251  -2.738 -13.867
   71   3HD1  LEU  10          3HD1      LEU  10   6.875  -1.631 -13.639
   72   1HD2  LEU  10          1HD2      LEU  10   4.807  -3.494 -13.795
   73   2HD2  LEU  10          2HD2      LEU  10   4.603  -3.831 -12.059
   74   3HD2  LEU  10          3HD2      LEU  10   4.981  -2.180 -12.608
   75    H    MET  11           HN       MET  11   9.032  -3.474 -11.594
   76    HA   MET  11           HA       MET  11  10.964  -2.570 -13.432
   77   1HB   MET  11          2HB       MET  11   9.591  -1.615 -11.110
   78   2HB   MET  11          3HB       MET  11  11.291  -1.560 -10.687
   79   1HG   MET  11          2HG       MET  11  11.461   0.373 -11.868
   80   2HG   MET  11          3HG       MET  11  11.188  -0.548 -13.333
   81   1HE   MET  11          1HE       MET  11   8.061   0.752 -14.655
   82   2HE   MET  11          2HE       MET  11   9.753   1.297 -14.739
   83   3HE   MET  11          3HE       MET  11   9.377  -0.443 -14.748
  Start of MODEL   20
    1    HN   PCA   1           HN       PCA   1  -0.548   0.000  -0.849
    2    HA   PCA   1           HA       PCA   1   1.817   0.727  -0.727
    3   1HB   PCA   1          3HB       PCA   1   2.727  -0.082   1.804
    4   2HB   PCA   1          2HB       PCA   1   2.022   1.518   1.423
    5   1HG   PCA   1          3HG       PCA   1   0.689  -0.828   2.747
    6   2HG   PCA   1          2HG       PCA   1   0.412   0.925   2.993
    7    HA   PRO   2           HA       PRO   2   2.534  -3.938  -0.094
    8   1HB   PRO   2          2HB       PRO   2   0.325  -5.541  -0.221
    9   2HB   PRO   2          3HB       PRO   2   1.061  -5.042   1.289
   10   1HG   PRO   2          2HG       PRO   2  -1.433  -4.071   0.033
   11   2HG   PRO   2          3HG       PRO   2  -0.908  -3.911   1.697
   12   1HD   PRO   2          2HD       PRO   2  -0.857  -1.875  -0.322
   13   2HD   PRO   2          3HD       PRO   2  -0.226  -1.751   1.308
   14    H    SER   3           HN       SER   3   0.092  -2.702  -2.207
   15    HA   SER   3           HA       SER   3   0.778  -4.596  -4.229
   16   1HB   SER   3          2HB       SER   3  -1.359  -2.726  -3.713
   17   2HB   SER   3          3HB       SER   3  -0.701  -2.373  -5.298
   18    HG   SER   3           HG       SER   3  -1.011  -4.613  -5.885
   19    H    LYS   4           HN       LYS   4   2.534  -2.191  -2.948
   20    HA   LYS   4           HA       LYS   4   3.184  -0.656  -5.264
   21   1HB   LYS   4          2HB       LYS   4   4.402  -0.892  -2.503
   22   2HB   LYS   4          3HB       LYS   4   5.053   0.158  -3.745
   23   1HG   LYS   4          2HG       LYS   4   2.103   0.292  -3.044
   24   2HG   LYS   4          3HG       LYS   4   3.280   1.112  -2.036
   25   1HD   LYS   4          2HD       LYS   4   3.212   2.844  -3.499
   26   2HD   LYS   4          3HD       LYS   4   4.034   1.819  -4.659
   27   1HE   LYS   4          2HE       LYS   4   1.939   1.076  -5.631
   28   2HE   LYS   4          3HE       LYS   4   1.005   1.762  -4.316
   29   1HZ   LYS   4          1HZ       LYS   4   1.245   3.873  -5.163
   30   2HZ   LYS   4          2HZ       LYS   4   2.704   3.602  -5.833
   31    H    ASP   5           HN       ASP   5   4.398  -3.597  -3.640
   32    HA   ASP   5           HA       ASP   5   6.831  -3.704  -4.948
   33   1HB   ASP   5          2HB       ASP   5   6.900  -6.021  -4.240
   34   2HB   ASP   5          3HB       ASP   5   6.110  -5.104  -2.973
   35    HD2  ASP   5           HD2      ASP   5   5.324  -7.993  -4.943
   36    H    ALA   6           HN       ALA   6   3.612  -5.269  -5.634
   37    HA   ALA   6           HA       ALA   6   4.345  -6.613  -7.940
   38   1HB   ALA   6          1HB       ALA   6   2.226  -7.295  -7.655
   39   2HB   ALA   6          2HB       ALA   6   1.983  -6.026  -6.430
   40   3HB   ALA   6          3HB       ALA   6   1.637  -5.688  -8.143
   41    H    PHE   7           HN       PHE   7   3.777  -3.187  -7.318
   42    HA   PHE   7           HA       PHE   7   3.293  -2.507 -10.038
   43   1HB   PHE   7          2HB       PHE   7   3.183  -1.354  -7.436
   44   2HB   PHE   7          3HB       PHE   7   4.467  -0.461  -8.226
   45    HD1  PHE   7           HD1      PHE   7   1.042  -1.694  -9.094
   46    HD2  PHE   7           HD2      PHE   7   3.834   1.497  -9.244
   47    HE1  PHE   7           HE1      PHE   7  -0.666  -0.254 -10.239
   48    HE2  PHE   7           HE2      PHE   7   2.127   2.937 -10.389
   49    HZ   PHE   7           HZ       PHE   7  -0.103   2.044 -10.873
   50    H    ILE   8           HN       ILE   8   6.133  -3.157  -8.075
   51    HA   ILE   8           HA       ILE   8   7.916  -1.606  -9.678
   52    HB   ILE   8           HB       ILE   8   8.304  -3.712  -7.556
   53   1HG1  ILE   8          2HG1      ILE   8   7.439  -1.734  -6.594
   54   2HG1  ILE   8          3HG1      ILE   8   9.162  -1.713  -6.279
   55   1HG2  ILE   8          1HG2      ILE   8  10.288  -4.025  -8.624
   56   2HG2  ILE   8          2HG2      ILE   8  10.278  -2.408  -9.369
   57   3HG2  ILE   8          3HG2      ILE   8  10.717  -2.595  -7.655
   58   1HD1  ILE   8          1HD1      ILE   8   7.603  -0.087  -8.314
   59   2HD1  ILE   8          2HD1      ILE   8   8.694   0.489  -7.030
   60   3HD1  ILE   8          3HD1      ILE   8   9.362  -0.313  -8.472
   61    H    GLY   9           HN       GLY   9   6.392  -4.756  -9.867
   62   1HA   GLY   9          1HA       GLY   9   8.341  -6.041 -11.485
   63   2HA   GLY   9          2HA       GLY   9   6.665  -6.503 -11.265
   64    H    LEU  10           HN       LEU  10   5.391  -4.055 -12.139
   65    HA   LEU  10           HA       LEU  10   5.456  -4.518 -14.928
   66   1HB   LEU  10          2HB       LEU  10   4.181  -2.121 -13.670
   67   2HB   LEU  10          3HB       LEU  10   3.657  -3.069 -15.048
   68    HG   LEU  10           HG       LEU  10   3.281  -3.577 -12.126
   69   1HD1  LEU  10          1HD1      LEU  10   1.375  -2.679 -13.082
   70   2HD1  LEU  10          2HD1      LEU  10   1.588  -3.570 -14.608
   71   3HD1  LEU  10          3HD1      LEU  10   1.045  -4.427 -13.145
   72   1HD2  LEU  10          1HD2      LEU  10   4.037  -5.680 -12.302
   73   2HD2  LEU  10          2HD2      LEU  10   2.519  -5.979 -13.182
   74   3HD2  LEU  10          3HD2      LEU  10   4.018  -5.649 -14.082
   75    H    MET  11           HN       MET  11   6.995  -2.200 -12.707
   76    HA   MET  11           HA       MET  11   7.870  -0.577 -14.900
   77   1HB   MET  11          2HB       MET  11   7.498  -0.281 -12.080
   78   2HB   MET  11          3HB       MET  11   9.225  -0.123 -12.327
   79   1HG   MET  11          2HG       MET  11   8.695   2.070 -12.783
   80   2HG   MET  11          3HG       MET  11   8.346   1.448 -14.383
   81   1HE   MET  11          1HE       MET  11   6.883   3.617 -14.662
   82   2HE   MET  11          2HE       MET  11   6.238   2.188 -15.504
   83   3HE   MET  11          3HE       MET  11   5.136   3.279 -14.630