*HEADER   GLYCOPROTEIN                            23-JUN-98   1BJB    
*TITLE    SOLUTION NMR STRUCTURE OF AMYLOID BETA[E16], RESIDUES 1-28, 
*TITLE   2 14 STRUCTURES                                              
*COMPND   MOL_ID: 1;                                                  
*COMPND  2 MOLECULE: AMYLOID BETA-PEPTIDE;                            
*COMPND  3 CHAIN: NULL;                                               
*COMPND  4 FRAGMENT: ABETA [F16], RESIDUES 1-28;                      
*COMPND  5 ENGINEERED: YES;                                           
*COMPND  6 MUTATION: K16E                                             
*SOURCE   MOL_ID: 1;                                                  
*SOURCE  2 SYNTHETIC: YES;                                            
*SOURCE  3 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                         
*SOURCE  4 ORGANISM_COMMON: HUMAN                                     
*KEYWDS   GLYCOPROTEIN, AMYLOID BETA-PEPTIDE, ALZHEIMER'S DISEASE     
*EXPDTA   NMR, 14 STRUCTURES                                          
*AUTHOR   S.-A.POULSEN,A.A.WATSON,D.J.CRAIK                           
*REVDAT  2   18-NOV-98 1BJBA   1       COMPND REMARK TITLE            
*REVDAT  1   04-NOV-98 1BJB    0                                      
 
!sp070896arom.tbl, noe's for bA1-28E16, pH 5.6, 296K, SDS/H2O
! noe's to aromatic protons

assign (resid  27 and name  HB* )(resid  27 and name  HD2* ) 0.0 0.0 5.4 ! m                                            
!assign (resid  27 and name  HBu )(resid  27 and name  HD2* ) 0.0 0.0 3.4 ! m     stronger of pair                       
!assign (resid  27 and name  HBd )(resid  27 and name  HD2* ) 0.0 0.0 4.2 ! w                                            
assign (resid  27 and name  HB* )(resid  27 and name  HD2* ) 0.0 0.0 5.4 ! m                                            
assign (resid  15 and name  HG* )(resid  15 and name  HE2* ) 0.0 0.0 4.4 ! mg                                           
assign (resid  15 and name  HB* )(resid  15 and name  HE2* ) 0.0 0.0 4.4 ! mg                                           
assign (resid  15 and name  HG* )(resid  15 and name  HE2* ) 0.0 0.0 4.4 ! mg                                           
assign (resid   5 and name  HA  )(resid   5 and name  HE   ) 0.0 0.0 4.2 ! w                                            
assign (resid   5 and name  HB* )(resid   5 and name  HE   ) 0.0 0.0 4.4 ! m                                            
!assign (resid   5 and name  HBu )(resid   5 and name  HE   ) 0.0 0.0 3.4 ! m                                            
assign (resid   5 and name  HG* )(resid   5 and name  HE   ) 0.0 0.0 4.4 ! mg                                           
assign (resid  14 and name  HA  )(resid  14 and name  HD2  ) 0.0 0.0 3.4 ! m                                            
assign (resid  13 and name  HA  )(resid  13 and name  HD2  ) 0.0 0.0 3.4 ! m                                            
assign (resid   6 and name  HA  )(resid   6 and name  HD2  ) 0.0 0.0 3.4 ! m                                            
assign (resid  14 and name  HB* )(resid  14 and name  HD2  ) 0.0 0.0 4.4 ! m                                            
!assign (resid  14 and name  HBu )(resid  14 and name  HD2  ) 0.0 0.0 3.4 ! m                                            
assign (resid  13 and name  HB* )(resid  13 and name  HD2  ) 0.0 0.0 4.4 ! m                                            
!assign (resid  13 and name  HBu )(resid  13 and name  HD2  ) 0.0 0.0 3.4 ! m                                            
assign (resid   6 and name  HB* )(resid   6 and name  HD2  ) 0.0 0.0 4.4 ! m                                            
!assign (resid   6 and name  HBu )(resid   6 and name  HD2  ) 0.0 0.0 3.4 ! m     part olapped                           
assign (resid  12 and name  HA  )(resid  13 and name  HD2  ) 0.0 0.0 5.0 ! vw                                           
assign (resid  12 and name  HB  )(resid  13 and name  HD2  ) 0.0 0.0 4.2 ! w                                            
assign (resid   4 and name  HA  )(resid   4 and name  HD*  ) 0.0 0.0 4.8 ! sa    think only D*                          
assign (resid  20 and name  HA  )(resid  20 and name  HD*  ) 0.0 0.0 4.8 ! sa    think only D*                          
!assign (resid  17 and name  HA  )(resid  19 and name  HE*  ) 0.0 0.0 6.2 ! wa    uncertain, wrong                              
assign (resid  17 and name  HA  )(resid  20 and name  HD*  ) 0.0 0.0 5.4 ! ma                                           
assign (resid  21 and name  HA  )(resid  20 and name  HD*  ) 0.0 0.0 6.2 ! wa                                           
assign (resid  19 and name  HA  )(resid  19 and name  HD*  ) 0.0 0.0 4.8 ! sa                                           
assign (resid  17 and name  HA  )(resid  19 and name  HD*  ) 0.0 0.0 5.4 ! ma                                           
assign (resid  10 and name  HA  )(resid  10 and name  HD*  ) 0.0 0.0 4.8 ! sa                                           
!assign (resid  10 and name  HA  )(resid  10 and name  HE*  ) 0.0 0.0 6.2 ! ma run4                                          
assign (resid  11 and name  HA  )(resid  10 and name  HD*  ) 0.0 0.0 5.4 ! ma                                           
assign (resid  11 and name  HA  )(resid  10 and name  HE*  ) 0.0 0.0 7.0 ! vwa                                          
assign (resid   9 and name  HA* )(resid  10 and name  HD*  ) 0.0 0.0 7.2 ! wl    uncertain                              
assign (resid  12 and name  HA* )(resid  10 and name  HE*  ) 0.0 0.0 6.4 ! ml    uncertain                              
assign (resid   4 and name  HB* )(resid   4 and name  HD*  ) 0.0 0.0 5.8 ! sa                                           
!assign (resid   4 and name  HBu )(resid   4 and name  HD*  ) 0.0 0.0 4.8 ! sa                                           
assign (resid  20 and name  HB* )(resid  20 and name  HE*  ) 0.0 0.0 6.4 ! ml    uncertain                              
assign (resid  20 and name  HB* )(resid  20 and name  HD*  ) 0.0 0.0 5.8 ! sl                                           
assign (resid  10 and name  HB* )(resid  10 and name  HD*  ) 0.0 0.0 5.8 ! sl                                           
assign (resid  10 and name  HB* )(resid  10 and name  HE*  ) 0.0 0.0 6.4 ! ml                                           
assign (resid  16 and name  HG* )(resid  19 and name  HD*  ) 0.0 0.0 8.0 ! vwl                                          
assign (resid  15 and name  HG* )(resid  19 and name  HD*  ) 0.0 0.0 7.2 ! wl                                           
assign (resid  16 and name  HB* )(resid  19 and name  HD*  ) 0.0 0.0 7.2 ! wl                                           
assign (resid  15 and name  HB* )(resid  19 and name  HD*  ) 0.0 0.0 7.2 ! wl                                           
assign (resid  11 and name  HG* )(resid  10 and name  HD*  ) 0.0 0.0 7.2 ! wl                                           
assign (resid  11 and name  HB* )(resid  10 and name  HD*  ) 0.0 0.0 8.0 ! vwl                                          
assign (resid   5 and name  HG* )(resid   4 and name  HD*  ) 0.0 0.0 7.2 ! wl                                           
assign (resid  21 and name  HB* )(resid  20 and name  HD*  ) 0.0 0.0 6.4 ! ml    mma                                    
assign (resid   2 and name  HB* )(resid   4 and name  HD*  ) 0.0 0.0 6.4 ! ml                                           
assign (resid  12 and name  HG2* )(resid  14 and name  HD2  ) 0.0 0.0 5.7 ! wm    stronger of pair                       
assign (resid  12 and name  HG1* )(resid  14 and name  HD2  ) 0.0 0.0 4.2 ! w                                            
assign (resid  12 and name  HG2* )(resid  13 and name  HD2  ) 0.0 0.0 5.7 ! wm                                           
assign (resid  12 and name  HG1* )(resid  13 and name  HD2  ) 0.0 0.0 5.7 ! wm    stronger of pair                       
assign (resid  17 and name  HD* )(resid  20 and name  HD*  ) 0.0 0.0 7.2 ! wl                                           
assign (resid  18 and name  HG2* )(resid  19 and name  HD*  ) 0.0 0.0 7.2 ! wl                                           
assign (resid  18 and name  HG1* )(resid  19 and name  HD*  ) 0.0 0.0 6.4 ! ml                                           
assign (resid  12 and name  HG2* )(resid  10 and name  HD*  ) 0.0 0.0 6.4 ! ml                                           
assign (resid  12 and name  HG1* )(resid  10 and name  HD*  ) 0.0 0.0 7.2 ! wl                                           
assign (resid  12 and name  HG2* )(resid  10 and name  HE*  ) 0.0 0.0 6.4 ! ml                                           
assign (resid  12 and name  HG1* )(resid  10 and name  HE*  ) 0.0 0.0 7.2 ! wl                                           
assign (resid  12 and name  HG2* )(resid  15 and name  HE2* ) 0.0 0.0 6.7 ! wm                                           
assign (resid  12 and name  HG1* )(resid  15 and name  HE2* ) 0.0 0.0 6.7 ! wm                                           
assign (resid  12 and name  HG2* )(resid  15 and name  HE2* ) 0.0 0.0 5.9 ! mm                                           
assign (resid  12 and name  HG1* )(resid  15 and name  HE2* ) 0.0 0.0 5.9 ! mm    stronger of pair                       


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    ASP   1          2H        ASP   1  -0.668  -3.746   0.130
    2   2H    ASP   1          1H        ASP   1  -0.969  -2.245  -0.605
    3   3H    ASP   1          3H        ASP   1  -1.431  -2.509   1.008
    4    HA   ASP   1           HA       ASP   1  -3.392  -3.223   0.380
    5   1HB   ASP   1          2HB       ASP   1  -3.373  -1.730  -1.524
    6   2HB   ASP   1          1HB       ASP   1  -2.217  -2.726  -2.383
    7    H    ALA   2           H        ALA   2  -4.454  -5.082   0.090
    8    HA   ALA   2           HA       ALA   2  -2.852  -7.536  -0.321
    9   1HB   ALA   2          1HB       ALA   2  -5.726  -6.961   0.569
   10   2HB   ALA   2          3HB       ALA   2  -5.159  -8.596   0.275
   11   3HB   ALA   2          2HB       ALA   2  -4.430  -7.626   1.548
   12    H    GLU   3           H        GLU   3  -6.174  -6.867  -1.318
   13    HA   GLU   3           HA       GLU   3  -5.607  -6.582  -4.112
   14   1HB   GLU   3          2HB       GLU   3  -5.325  -9.035  -3.936
   15   2HB   GLU   3          1HB       GLU   3  -6.813  -9.173  -3.018
   16   1HG   GLU   3          2HG       GLU   3  -7.294  -9.777  -5.287
   17   2HG   GLU   3          1HG       GLU   3  -8.056  -8.228  -4.987
   18    H    PHE   4           H        PHE   4  -6.736  -4.814  -3.830
   19    HA   PHE   4           HA       PHE   4  -9.565  -4.816  -4.154
   20   1HB   PHE   4          2HB       PHE   4 -10.207  -3.613  -2.025
   21   2HB   PHE   4          1HB       PHE   4  -9.668  -5.241  -1.704
   22    HD1  PHE   4           HD1      PHE   4  -8.745  -1.677  -1.474
   23    HD2  PHE   4           HD2      PHE   4  -7.626  -5.654  -0.434
   24    HE1  PHE   4           HE1      PHE   4  -7.090  -0.795   0.107
   25    HE2  PHE   4           HE2      PHE   4  -5.974  -4.767   1.151
   26    HZ   PHE   4           HZ       PHE   4  -5.701  -2.341   1.424
   27    H    ARG   5           H        ARG   5  -6.560  -3.355  -3.860
   28    HA   ARG   5           HA       ARG   5  -7.518  -0.967  -5.288
   29   1HB   ARG   5          2HB       ARG   5  -7.195  -0.527  -2.737
   30   2HB   ARG   5          1HB       ARG   5  -5.486  -0.791  -3.015
   31   1HG   ARG   5          2HG       ARG   5  -5.226   1.221  -3.911
   32   2HG   ARG   5          1HG       ARG   5  -6.448   0.898  -5.118
   33   1HD   ARG   5          2HD       ARG   5  -7.385   1.705  -2.347
   34   2HD   ARG   5          1HD       ARG   5  -6.836   2.924  -3.481
   35    HE   ARG   5           HE       ARG   5  -8.619   2.381  -4.969
   36   1HH1  ARG   5          2HH1      ARG   5  -8.666   0.438  -2.081
   37   2HH1  ARG   5          1HH1      ARG   5 -10.291  -0.089  -2.350
   38   1HH2  ARG   5          1HH2      ARG   5 -10.662   1.715  -5.301
   39   2HH2  ARG   5          2HH2      ARG   5 -11.438   0.645  -4.182
   40    H    HIS   6           H        HIS   6  -6.579  -3.120  -6.280
   41    HA   HIS   6           HA       HIS   6  -4.084  -2.379  -7.592
   42   1HB   HIS   6          2HB       HIS   6  -4.330  -4.645  -5.673
   43   2HB   HIS   6          1HB       HIS   6  -3.664  -5.127  -7.215
   44    HD1  HIS   6           HD1      HIS   6  -1.267  -4.647  -7.512
   45    HD2  HIS   6           HD2      HIS   6  -2.787  -2.353  -4.506
   46    HE1  HIS   6           HE1      HIS   6   0.651  -3.465  -6.511
   47    H    ASP   7           H        ASP   7  -6.612  -4.855  -7.295
   48    HA   ASP   7           HA       ASP   7  -7.163  -4.653 -10.160
   49   1HB   ASP   7          2HB       ASP   7  -6.744  -7.466  -9.051
   50   2HB   ASP   7          1HB       ASP   7  -6.741  -6.949 -10.721
   51    H    SER   8           H        SER   8  -8.499  -3.982  -7.756
   52    HA   SER   8           HA       SER   8 -11.121  -5.055  -8.325
   53   1HB   SER   8          2HB       SER   8 -11.190  -5.941  -5.701
   54   2HB   SER   8          1HB       SER   8 -10.709  -7.005  -7.022
   55    HG   SER   8           HG       SER   8  -8.781  -7.004  -6.257
   56    H    GLY   9           H        GLY   9  -9.970  -2.595  -8.309
   57   1HA   GLY   9          2HA       GLY   9 -11.648  -0.746  -7.446
   58   2HA   GLY   9          1HA       GLY   9 -10.856  -1.104  -5.905
   59    H    TYR  10           H        TYR  10  -9.789  -0.926  -9.225
   60    HA   TYR  10           HA       TYR  10  -7.815  -0.116 -10.189
   61   1HB   TYR  10          2HB       TYR  10  -7.929   2.487 -10.097
   62   2HB   TYR  10          1HB       TYR  10  -9.383   1.652 -10.582
   63    HD1  TYR  10           HD1      TYR  10  -7.781   3.376  -7.683
   64    HD2  TYR  10           HD2      TYR  10 -11.377   1.746  -9.283
   65    HE1  TYR  10           HE1      TYR  10  -9.044   4.393  -5.874
   66    HE2  TYR  10           HE2      TYR  10 -12.643   2.765  -7.469
   67    HH   TYR  10           HH       TYR  10 -12.154   4.956  -5.881
   68    H    GLU  11           H        GLU  11  -6.468   2.360  -9.141
   69    HA   GLU  11           HA       GLU  11  -5.254   1.773  -6.612
   70   1HB   GLU  11          2HB       GLU  11  -2.873   1.496  -7.805
   71   2HB   GLU  11          1HB       GLU  11  -3.893   0.092  -7.651
   72   1HG   GLU  11          2HG       GLU  11  -4.505   1.545 -10.137
   73   2HG   GLU  11          1HG       GLU  11  -2.805   1.156 -10.047
   74    H    VAL  12           H        VAL  12  -6.261   3.706  -8.653
   75    HA   VAL  12           HA       VAL  12  -6.287   5.999  -8.872
   76    HB   VAL  12           HB       VAL  12  -4.109   6.001  -6.791
   77   1HG1  VAL  12          2HG1      VAL  12  -4.616   8.235  -7.941
   78   2HG1  VAL  12          1HG1      VAL  12  -6.288   8.073  -7.444
   79   3HG1  VAL  12          3HG1      VAL  12  -5.031   8.283  -6.237
   80   1HG2  VAL  12          2HG2      VAL  12  -7.079   5.663  -6.509
   81   2HG2  VAL  12          1HG2      VAL  12  -5.775   4.804  -5.693
   82   3HG2  VAL  12          3HG2      VAL  12  -6.167   6.450  -5.229
   83    H    HIS  13           H        HIS  13  -3.030   4.729  -8.651
   84    HA   HIS  13           HA       HIS  13  -1.186   4.891 -10.001
   85   1HB   HIS  13          2HB       HIS  13  -2.923   6.679 -11.849
   86   2HB   HIS  13          1HB       HIS  13  -1.382   5.969 -12.248
   87    HD1  HIS  13           HD1      HIS  13  -2.148   4.347 -13.983
   88    HD2  HIS  13           HD2      HIS  13  -4.326   3.858 -10.559
   89    HE1  HIS  13           HE1      HIS  13  -3.495   2.306 -14.296
   90    H    HIS  14           H        HIS  14  -1.701   6.349  -7.795
   91    HA   HIS  14           HA       HIS  14  -0.094   8.775  -8.197
   92   1HB   HIS  14          2HB       HIS  14  -2.751   8.571  -6.828
   93   2HB   HIS  14          1HB       HIS  14  -1.589   9.760  -6.252
   94    HD1  HIS  14           HD1      HIS  14  -1.572  11.893  -7.635
   95    HD2  HIS  14           HD2      HIS  14  -3.309   8.822  -9.645
   96    HE1  HIS  14           HE1      HIS  14  -2.454  12.867  -9.727
   97    H    GLN  15           H        GLN  15  -1.176   6.178  -6.216
   98    HA   GLN  15           HA       GLN  15   0.975   6.710  -4.207
   99   1HB   GLN  15          2HB       GLN  15  -0.493   5.063  -2.782
  100   2HB   GLN  15          1HB       GLN  15  -0.962   6.745  -2.859
  101   1HG   GLN  15          2HG       GLN  15  -2.148   4.975  -4.998
  102   2HG   GLN  15          1HG       GLN  15  -2.642   4.610  -3.360
  103   1HE2  GLN  15          2HE2      GLN  15  -4.988   7.198  -3.422
  104   2HE2  GLN  15          1HE2      GLN  15  -4.571   5.631  -2.923
  105    H    GLU  16           H        GLU  16  -0.761   4.251  -5.989
  106    HA   GLU  16           HA       GLU  16   0.784   2.155  -5.001
  107   1HB   GLU  16          2HB       GLU  16  -1.209   1.627  -6.297
  108   2HB   GLU  16          1HB       GLU  16  -0.627   2.528  -7.689
  109   1HG   GLU  16          2HG       GLU  16   1.182   0.879  -8.040
  110   2HG   GLU  16          1HG       GLU  16   0.708   0.016  -6.596
  111    H    LEU  17           H        LEU  17   1.352   4.304  -7.681
  112    HA   LEU  17           HA       LEU  17   3.730   2.951  -8.563
  113   1HB   LEU  17          2HB       LEU  17   3.576   5.859  -9.238
  114   2HB   LEU  17          1HB       LEU  17   3.825   4.496 -10.302
  115    HG   LEU  17           HG       LEU  17   1.183   5.281  -9.069
  116   1HD1  LEU  17          1HD1      LEU  17   2.405   5.856 -11.803
  117   2HD1  LEU  17          3HD1      LEU  17   0.682   5.995 -11.514
  118   3HD1  LEU  17          2HD1      LEU  17   1.802   7.016 -10.632
  119   1HD2  LEU  17          2HD2      LEU  17   2.028   3.116 -11.047
  120   2HD2  LEU  17          1HD2      LEU  17   0.984   2.952  -9.646
  121   3HD2  LEU  17          3HD2      LEU  17   0.387   3.731 -11.096
  122    H    VAL  18           H        VAL  18   3.096   5.000  -6.086
  123    HA   VAL  18           HA       VAL  18   5.696   6.271  -5.820
  124    HB   VAL  18           HB       VAL  18   3.390   5.914  -3.881
  125   1HG1  VAL  18          3HG1      VAL  18   5.988   7.378  -3.546
  126   2HG1  VAL  18          2HG1      VAL  18   4.523   7.820  -2.656
  127   3HG1  VAL  18          1HG1      VAL  18   5.209   6.216  -2.483
  128   1HG2  VAL  18          1HG2      VAL  18   4.321   8.125  -5.684
  129   2HG2  VAL  18          3HG2      VAL  18   2.895   7.115  -5.876
  130   3HG2  VAL  18          2HG2      VAL  18   2.982   8.244  -4.521
  131    H    PHE  19           H        PHE  19   3.995   3.708  -4.263
  132    HA   PHE  19           HA       PHE  19   6.213   3.011  -2.557
  133   1HB   PHE  19          2HB       PHE  19   4.714   1.407  -1.655
  134   2HB   PHE  19          1HB       PHE  19   3.641   2.639  -2.265
  135    HD1  PHE  19           HD1      PHE  19   5.306  -0.376  -3.788
  136    HD2  PHE  19           HD2      PHE  19   1.739   1.829  -3.116
  137    HE1  PHE  19           HE1      PHE  19   4.047  -2.088  -5.014
  138    HE2  PHE  19           HE2      PHE  19   0.460   0.095  -4.335
  139    HZ   PHE  19           HZ       PHE  19   1.622  -1.848  -5.290
  140    H    PHE  20           H        PHE  20   5.072   2.247  -5.683
  141    HA   PHE  20           HA       PHE  20   6.680  -0.121  -6.153
  142   1HB   PHE  20          2HB       PHE  20   4.663   0.364  -7.506
  143   2HB   PHE  20          1HB       PHE  20   5.401   1.862  -8.064
  144    HD1  PHE  20           HD1      PHE  20   5.873  -1.848  -8.077
  145    HD2  PHE  20           HD2      PHE  20   6.917   1.858  -9.903
  146    HE1  PHE  20           HE1      PHE  20   7.042  -3.055  -9.864
  147    HE2  PHE  20           HE2      PHE  20   8.085   0.647 -11.689
  148    HZ   PHE  20           HZ       PHE  20   8.150  -1.811 -11.672
  149    H    ALA  21           H        ALA  21   6.931   3.326  -6.713
  150    HA   ALA  21           HA       ALA  21   9.422   3.297  -8.109
  151   1HB   ALA  21          1HB       ALA  21   7.991   5.404  -6.400
  152   2HB   ALA  21          3HB       ALA  21   9.484   5.760  -7.253
  153   3HB   ALA  21          2HB       ALA  21   8.032   5.338  -8.152
  154    H    GLU  22           H        GLU  22   8.454   3.660  -4.771
  155    HA   GLU  22           HA       GLU  22  11.129   3.829  -3.781
  156   1HB   GLU  22          2HB       GLU  22   8.487   3.045  -2.479
  157   2HB   GLU  22          1HB       GLU  22   9.971   3.074  -1.547
  158   1HG   GLU  22          2HG       GLU  22   8.785   5.455  -3.058
  159   2HG   GLU  22          1HG       GLU  22   8.785   5.239  -1.319
  160    H    ASP  23           H        ASP  23   9.218   1.156  -4.756
  161    HA   ASP  23           HA       ASP  23  10.689  -0.922  -3.376
  162   1HB   ASP  23          2HB       ASP  23   8.903  -2.112  -4.189
  163   2HB   ASP  23          1HB       ASP  23   8.402  -0.749  -5.148
  164    H    VAL  24           H        VAL  24  10.747   0.389  -6.664
  165    HA   VAL  24           HA       VAL  24  12.988  -1.071  -7.643
  166    HB   VAL  24           HB       VAL  24  11.910   1.706  -8.365
  167   1HG1  VAL  24          2HG1      VAL  24  14.018   0.000  -9.746
  168   2HG1  VAL  24          1HG1      VAL  24  13.124   1.253 -10.591
  169   3HG1  VAL  24          3HG1      VAL  24  14.149   1.677  -9.234
  170   1HG2  VAL  24          2HG2      VAL  24  11.457  -1.061  -9.559
  171   2HG2  VAL  24          1HG2      VAL  24  10.261  -0.027  -8.798
  172   3HG2  VAL  24          3HG2      VAL  24  10.948   0.427 -10.341
  173    H    GLY  25           H        GLY  25  12.700   2.064  -6.165
  174   1HA   GLY  25          2HA       GLY  25  14.737   2.225  -4.378
  175   2HA   GLY  25          1HA       GLY  25  15.531   2.662  -5.915
  176    H    SER  26           H        SER  26  13.832   3.848  -7.298
  177    HA   SER  26           HA       SER  26  12.051   5.804  -6.194
  178   1HB   SER  26          2HB       SER  26  14.972   6.564  -6.651
  179   2HB   SER  26          1HB       SER  26  13.741   7.761  -7.082
  180    HG   SER  26           HG       SER  26  14.548   6.967  -4.651
  181    H    ASN  27           H        ASN  27  12.150   3.771  -8.082
  182    HA   ASN  27           HA       ASN  27  11.582   3.213 -10.256
  183   1HB   ASN  27          2HB       ASN  27   9.901   5.231  -9.501
  184   2HB   ASN  27          1HB       ASN  27  10.661   6.027 -10.863
  185   1HD2  ASN  27          2HD2      ASN  27   8.250   2.775 -11.486
  186   2HD2  ASN  27          1HD2      ASN  27   8.829   3.109  -9.927
  187    H    LYS  28           H        LYS  28  14.197   4.245  -9.726
  188    HA   LYS  28           HA       LYS  28  16.174   4.705 -10.834
  189   1HB   LYS  28          2HB       LYS  28  14.579   4.492 -13.441
  190   2HB   LYS  28          1HB       LYS  28  16.296   4.273 -13.250
  191   1HG   LYS  28          2HG       LYS  28  14.110   2.454 -12.167
  192   2HG   LYS  28          1HG       LYS  28  15.220   2.087 -13.460
  193   1HD   LYS  28          2HD       LYS  28  15.993   2.504 -10.529
  194   2HD   LYS  28          1HD       LYS  28  15.915   0.970 -11.362
  195   1HE   LYS  28          2HE       LYS  28  17.839   3.234 -12.061
  196   2HE   LYS  28          1HE       LYS  28  18.249   1.743 -11.235
  197   1HZ   LYS  28          2HZ       LYS  28  16.905   1.068 -13.580
  198   2HZ   LYS  28          1HZ       LYS  28  18.095   2.211 -13.976
  199   3HZ   LYS  28          3HZ       LYS  28  18.527   0.782 -13.168
   
  No H/Q in entry =         199
  Start of MODEL    2
    1   1H    ASP   1          2H        ASP   1 -15.450  -7.815 -12.386
    2   2H    ASP   1          1H        ASP   1 -14.630  -8.411 -13.747
    3   3H    ASP   1          3H        ASP   1 -13.791  -7.508 -12.583
    4    HA   ASP   1           HA       ASP   1 -14.221  -5.656 -13.640
    5   1HB   ASP   1          2HB       ASP   1 -15.335  -5.781 -15.889
    6   2HB   ASP   1          1HB       ASP   1 -14.159  -7.063 -15.681
    7    H    ALA   2           H        ALA   2 -15.918  -6.434 -11.512
    8    HA   ALA   2           HA       ALA   2 -18.638  -5.479 -12.080
    9   1HB   ALA   2          2HB       ALA   2 -17.171  -6.452  -9.609
   10   2HB   ALA   2          1HB       ALA   2 -18.784  -5.764  -9.485
   11   3HB   ALA   2          3HB       ALA   2 -18.519  -7.211 -10.439
   12    H    GLU   3           H        GLU   3 -17.052  -4.398  -9.157
   13    HA   GLU   3           HA       GLU   3 -16.479  -1.719 -10.109
   14   1HB   GLU   3          2HB       GLU   3 -18.967  -1.655  -9.733
   15   2HB   GLU   3          1HB       GLU   3 -18.733  -2.259  -8.106
   16   1HG   GLU   3          2HG       GLU   3 -18.696  -0.056  -7.553
   17   2HG   GLU   3          1HG       GLU   3 -17.015  -0.127  -8.043
   18    H    PHE   4           H        PHE   4 -14.523  -2.448  -9.479
   19    HA   PHE   4           HA       PHE   4 -13.835  -2.050  -6.630
   20   1HB   PHE   4          2HB       PHE   4 -13.026  -4.535  -8.248
   21   2HB   PHE   4          1HB       PHE   4 -12.366  -4.109  -6.674
   22    HD1  PHE   4           HD2      PHE   4 -13.934  -3.986  -4.684
   23    HD2  PHE   4           HD1      PHE   4 -15.156  -5.637  -8.421
   24    HE1  PHE   4           HE2      PHE   4 -15.821  -5.098  -3.580
   25    HE2  PHE   4           HE1      PHE   4 -17.042  -6.747  -7.309
   26    HZ   PHE   4           HZ       PHE   4 -17.376  -6.480  -4.890
   27    H    ARG   5           H        ARG   5 -12.526  -3.194  -9.671
   28    HA   ARG   5           HA       ARG   5 -10.212  -1.468  -9.476
   29   1HB   ARG   5          2HB       ARG   5  -9.991  -2.412 -12.036
   30   2HB   ARG   5          1HB       ARG   5  -9.619  -3.415 -10.657
   31   1HG   ARG   5          2HG       ARG   5 -11.067  -4.596 -12.293
   32   2HG   ARG   5          1HG       ARG   5 -11.828  -4.474 -10.726
   33   1HD   ARG   5          2HD       ARG   5 -13.391  -3.948 -12.639
   34   2HD   ARG   5          1HD       ARG   5 -13.246  -2.616 -11.514
   35    HE   ARG   5           HE       ARG   5 -12.155  -1.364 -13.170
   36   1HH1  ARG   5          2HH1      ARG   5 -12.300  -4.711 -14.056
   37   2HH1  ARG   5          1HH1      ARG   5 -11.744  -4.428 -15.670
   38   1HH2  ARG   5          1HH2      ARG   5 -11.452  -0.976 -15.202
   39   2HH2  ARG   5          2HH2      ARG   5 -11.249  -2.274 -16.332
   40    H    HIS   6           H        HIS   6 -13.089  -0.687  -9.952
   41    HA   HIS   6           HA       HIS   6 -12.849   1.250 -12.143
   42   1HB   HIS   6          2HB       HIS   6 -15.199   0.183 -10.555
   43   2HB   HIS   6          1HB       HIS   6 -15.373   1.526 -11.682
   44    HD1  HIS   6           HD1      HIS   6 -16.318  -1.621 -11.940
   45    HD2  HIS   6           HD2      HIS   6 -13.491   0.344 -14.110
   46    HE1  HIS   6           HE1      HIS   6 -16.094  -2.865 -14.061
   47    H    ASP   7           H        ASP   7 -13.862   1.133  -8.747
   48    HA   ASP   7           HA       ASP   7 -12.634   3.667  -8.148
   49   1HB   ASP   7          2HB       ASP   7 -14.948   4.748  -7.511
   50   2HB   ASP   7          1HB       ASP   7 -14.519   4.697  -9.208
   51    H    SER   8           H        SER   8 -12.584   1.037  -7.116
   52    HA   SER   8           HA       SER   8 -12.845   1.595  -4.276
   53   1HB   SER   8          2HB       SER   8 -14.376  -0.748  -4.231
   54   2HB   SER   8          1HB       SER   8 -15.096   0.860  -4.241
   55    HG   SER   8           HG       SER   8 -15.801   0.456  -6.151
   56    H    GLY   9           H        GLY   9 -10.845   1.035  -6.089
   57   1HA   GLY   9          2HA       GLY   9  -8.917  -0.403  -4.971
   58   2HA   GLY   9          1HA       GLY   9  -9.880  -1.727  -5.645
   59    H    TYR  10           H        TYR  10 -10.090   1.169  -7.337
   60    HA   TYR  10           HA       TYR  10  -8.957   0.138  -9.749
   61   1HB   TYR  10          2HB       TYR  10  -9.687   2.191 -10.725
   62   2HB   TYR  10          1HB       TYR  10 -10.872   1.793  -9.489
   63    HD1  TYR  10           HD2      TYR  10 -10.511   2.918  -7.115
   64    HD2  TYR  10           HD1      TYR  10  -8.650   4.286 -10.695
   65    HE1  TYR  10           HE2      TYR  10 -10.095   5.088  -6.074
   66    HE2  TYR  10           HE1      TYR  10  -8.235   6.456  -9.647
   67    HH   TYR  10           HH       TYR  10  -7.978   7.171  -6.941
   68    H    GLU  11           H        GLU  11  -7.555   1.574 -11.081
   69    HA   GLU  11           HA       GLU  11  -5.001   1.808  -9.685
   70   1HB   GLU  11          2HB       GLU  11  -5.955   1.728 -12.540
   71   2HB   GLU  11          1HB       GLU  11  -4.434   2.533 -12.262
   72   1HG   GLU  11          2HG       GLU  11  -4.344   0.095 -10.727
   73   2HG   GLU  11          1HG       GLU  11  -5.019  -0.321 -12.284
   74    H    VAL  12           H        VAL  12  -4.383   3.428  -8.783
   75    HA   VAL  12           HA       VAL  12  -5.500   6.121  -9.240
   76    HB   VAL  12           HB       VAL  12  -3.613   5.018  -7.178
   77   1HG1  VAL  12          1HG1      VAL  12  -3.717   7.642  -7.575
   78   2HG1  VAL  12          3HG1      VAL  12  -5.309   7.547  -6.860
   79   3HG1  VAL  12          2HG1      VAL  12  -3.899   7.074  -5.928
   80   1HG2  VAL  12          2HG2      VAL  12  -6.613   5.470  -7.054
   81   2HG2  VAL  12          1HG2      VAL  12  -5.767   3.931  -6.939
   82   3HG2  VAL  12          3HG2      VAL  12  -5.626   5.112  -5.648
   83    H    HIS  13           H        HIS  13  -2.321   4.728  -8.835
   84    HA   HIS  13           HA       HIS  13  -0.268   5.097  -9.823
   85   1HB   HIS  13          2HB       HIS  13  -1.788   7.061 -11.652
   86   2HB   HIS  13          1HB       HIS  13  -0.088   6.712 -11.793
   87    HD1  HIS  13           HD1      HIS  13   0.189   5.004 -13.567
   88    HD2  HIS  13           HD2      HIS  13  -3.187   4.259 -11.404
   89    HE1  HIS  13           HE1      HIS  13  -0.785   2.938 -14.504
   90    H    HIS  14           H        HIS  14  -1.936   7.294  -8.028
   91    HA   HIS  14           HA       HIS  14  -0.081   9.515  -8.117
   92   1HB   HIS  14          2HB       HIS  14  -2.387   8.763  -6.328
   93   2HB   HIS  14          1HB       HIS  14  -1.313  10.066  -5.858
   94    HD1  HIS  14           HD1      HIS  14  -2.022  12.262  -6.809
   95    HD2  HIS  14           HD2      HIS  14  -3.364   9.218  -9.160
   96    HE1  HIS  14           HE1      HIS  14  -3.349  13.313  -8.605
   97    H    GLN  15           H        GLN  15  -0.866   7.004  -5.882
   98    HA   GLN  15           HA       GLN  15   1.850   7.068  -4.625
   99   1HB   GLN  15          2HB       GLN  15  -0.520   6.074  -3.058
  100   2HB   GLN  15          1HB       GLN  15   0.910   6.893  -2.465
  101   1HG   GLN  15          2HG       GLN  15   0.007   9.066  -3.124
  102   2HG   GLN  15          1HG       GLN  15  -1.300   8.318  -4.034
  103   1HE2  GLN  15          2HE2      GLN  15  -3.301   7.601  -1.220
  104   2HE2  GLN  15          1HE2      GLN  15  -3.019   7.247  -2.856
  105    H    GLU  16           H        GLU  16  -0.855   5.313  -5.762
  106    HA   GLU  16           HA       GLU  16  -0.366   2.704  -5.002
  107   1HB   GLU  16          2HB       GLU  16  -2.284   2.958  -6.319
  108   2HB   GLU  16          1HB       GLU  16  -1.466   3.994  -7.470
  109   1HG   GLU  16          2HG       GLU  16  -0.260   2.046  -8.420
  110   2HG   GLU  16          1HG       GLU  16  -0.988   0.994  -7.221
  111    H    LEU  17           H        LEU  17   1.090   4.349  -7.816
  112    HA   LEU  17           HA       LEU  17   2.859   2.069  -8.158
  113   1HB   LEU  17          2HB       LEU  17   3.759   3.230 -10.134
  114   2HB   LEU  17          1HB       LEU  17   2.015   3.279 -10.147
  115    HG   LEU  17           HG       LEU  17   2.303   5.548  -8.921
  116   1HD1  LEU  17          1HD1      LEU  17   5.096   5.029  -9.978
  117   2HD1  LEU  17          3HD1      LEU  17   4.484   6.669 -10.080
  118   3HD1  LEU  17          2HD1      LEU  17   4.614   5.886  -8.526
  119   1HD2  LEU  17          1HD2      LEU  17   1.436   5.162 -11.293
  120   2HD2  LEU  17          3HD2      LEU  17   2.315   6.679 -11.168
  121   3HD2  LEU  17          2HD2      LEU  17   3.083   5.273 -11.878
  122    H    VAL  18           H        VAL  18   2.979   4.887  -6.375
  123    HA   VAL  18           HA       VAL  18   5.864   5.232  -6.395
  124    HB   VAL  18           HB       VAL  18   3.780   6.095  -4.340
  125   1HG1  VAL  18          3HG1      VAL  18   6.686   6.870  -4.790
  126   2HG1  VAL  18          2HG1      VAL  18   5.566   7.914  -3.920
  127   3HG1  VAL  18          1HG1      VAL  18   5.925   6.311  -3.309
  128   1HG2  VAL  18          3HG2      VAL  18   4.922   7.380  -6.848
  129   2HG2  VAL  18          2HG2      VAL  18   3.259   6.890  -6.584
  130   3HG2  VAL  18          1HG2      VAL  18   3.925   8.244  -5.677
  131    H    PHE  19           H        PHE  19   3.647   3.139  -4.996
  132    HA   PHE  19           HA       PHE  19   5.190   2.302  -2.691
  133   1HB   PHE  19          2HB       PHE  19   2.942   0.828  -4.151
  134   2HB   PHE  19          1HB       PHE  19   3.490   0.483  -2.525
  135    HD1  PHE  19           HD1      PHE  19   3.754   3.586  -1.797
  136    HD2  PHE  19           HD2      PHE  19   0.668   1.168  -3.471
  137    HE1  PHE  19           HE1      PHE  19   2.067   5.118  -0.898
  138    HE2  PHE  19           HE2      PHE  19  -1.018   2.708  -2.566
  139    HZ   PHE  19           HZ       PHE  19  -0.321   4.683  -1.280
  140    H    PHE  20           H        PHE  20   5.311   1.812  -5.960
  141    HA   PHE  20           HA       PHE  20   6.859  -0.740  -5.815
  142   1HB   PHE  20          2HB       PHE  20   5.188  -0.997  -7.480
  143   2HB   PHE  20          1HB       PHE  20   5.175   0.704  -7.874
  144    HD1  PHE  20           HD1      PHE  20   6.977  -2.482  -8.443
  145    HD2  PHE  20           HD2      PHE  20   6.685   1.629  -9.537
  146    HE1  PHE  20           HE1      PHE  20   8.430  -2.889 -10.376
  147    HE2  PHE  20           HE2      PHE  20   8.140   1.215 -11.466
  148    HZ   PHE  20           HZ       PHE  20   9.016  -1.043 -11.891
  149    H    ALA  21           H        ALA  21   6.833   2.481  -7.178
  150    HA   ALA  21           HA       ALA  21   9.538   2.582  -8.053
  151   1HB   ALA  21          2HB       ALA  21   7.548   4.186  -8.634
  152   2HB   ALA  21          1HB       ALA  21   7.918   4.987  -7.116
  153   3HB   ALA  21          3HB       ALA  21   9.120   4.933  -8.393
  154    H    GLU  22           H        GLU  22   8.062   2.583  -4.995
  155    HA   GLU  22           HA       GLU  22   9.972   4.158  -3.543
  156   1HB   GLU  22          2HB       GLU  22   7.953   3.678  -2.351
  157   2HB   GLU  22          1HB       GLU  22   7.948   1.999  -2.835
  158   1HG   GLU  22          2HG       GLU  22  10.197   2.965  -1.050
  159   2HG   GLU  22          1HG       GLU  22   8.604   2.800  -0.342
  160    H    ASP  23           H        ASP  23   9.561   0.777  -4.236
  161    HA   ASP  23           HA       ASP  23  12.029  -0.163  -3.079
  162   1HB   ASP  23          2HB       ASP  23  10.308  -1.496  -5.198
  163   2HB   ASP  23          1HB       ASP  23  11.439  -2.296  -4.116
  164    H    VAL  24           H        VAL  24  11.035   0.048  -6.463
  165    HA   VAL  24           HA       VAL  24  13.593  -0.541  -7.566
  166    HB   VAL  24           HB       VAL  24  11.577   1.264  -8.963
  167   1HG1  VAL  24          1HG1      VAL  24  13.927   0.369  -9.896
  168   2HG1  VAL  24          3HG1      VAL  24  13.037  -1.115 -10.151
  169   3HG1  VAL  24          2HG1      VAL  24  12.516   0.365 -10.942
  170   1HG2  VAL  24          1HG2      VAL  24  11.130  -1.527  -7.999
  171   2HG2  VAL  24          3HG2      VAL  24   9.971  -0.306  -8.490
  172   3HG2  VAL  24          2HG2      VAL  24  10.778  -1.280  -9.696
  173    H    GLY  25           H        GLY  25  12.092   2.489  -6.659
  174   1HA   GLY  25          2HA       GLY  25  13.974   4.336  -7.708
  175   2HA   GLY  25          1HA       GLY  25  13.003   4.628  -6.264
  176    H    SER  26           H        SER  26  13.814   2.837  -4.501
  177    HA   SER  26           HA       SER  26  16.205   3.834  -3.420
  178   1HB   SER  26          2HB       SER  26  14.393   2.517  -2.170
  179   2HB   SER  26          1HB       SER  26  15.067   1.040  -2.877
  180    HG   SER  26           HG       SER  26  16.604   1.177  -1.481
  181    H    ASN  27           H        ASN  27  15.638   0.853  -5.160
  182    HA   ASN  27           HA       ASN  27  18.200  -0.269  -5.193
  183   1HB   ASN  27          2HB       ASN  27  16.541  -1.662  -6.114
  184   2HB   ASN  27          1HB       ASN  27  15.825  -0.382  -7.065
  185   1HD2  ASN  27          2HD2      ASN  27  17.883  -0.938  -9.890
  186   2HD2  ASN  27          1HD2      ASN  27  16.788   0.123  -9.142
  187    H    LYS  28           H        LYS  28  16.832   1.839  -7.670
  188    HA   LYS  28           HA       LYS  28  19.171   2.200  -9.214
  189   1HB   LYS  28          2HB       LYS  28  16.824   4.082  -8.760
  190   2HB   LYS  28          1HB       LYS  28  18.033   4.307 -10.010
  191   1HG   LYS  28          2HG       LYS  28  17.437   2.033 -10.929
  192   2HG   LYS  28          1HG       LYS  28  16.155   1.922  -9.741
  193   1HD   LYS  28          2HD       LYS  28  15.744   4.452 -10.883
  194   2HD   LYS  28          1HD       LYS  28  16.289   3.484 -12.241
  195   1HE   LYS  28          2HE       LYS  28  13.904   3.256 -12.204
  196   2HE   LYS  28          1HE       LYS  28  14.501   1.757 -11.514
  197   1HZ   LYS  28          1HZ       LYS  28  14.253   3.649  -9.465
  198   2HZ   LYS  28          3HZ       LYS  28  12.809   3.647 -10.359
  199   3HZ   LYS  28          2HZ       LYS  28  13.388   2.207  -9.675
   
  No H/Q in entry =         199
  Start of MODEL    3
    1   1H    ASP   1          3H        ASP   1 -13.847  -8.705   2.365
    2   2H    ASP   1          2H        ASP   1 -12.736  -7.426   2.274
    3   3H    ASP   1          1H        ASP   1 -14.339  -7.124   2.744
    4    HA   ASP   1           HA       ASP   1 -14.931  -6.778   0.677
    5   1HB   ASP   1          2HB       ASP   1 -12.943  -5.806  -0.053
    6   2HB   ASP   1          1HB       ASP   1 -11.961  -7.183   0.399
    7    H    ALA   2           H        ALA   2 -15.816  -7.787  -1.068
    8    HA   ALA   2           HA       ALA   2 -16.121 -10.698  -0.890
    9   1HB   ALA   2          2HB       ALA   2 -17.203  -8.571  -2.802
   10   2HB   ALA   2          1HB       ALA   2 -17.594 -10.277  -2.964
   11   3HB   ALA   2          3HB       ALA   2 -18.094  -9.390  -1.531
   12    H    GLU   3           H        GLU   3 -15.162  -8.478  -3.461
   13    HA   GLU   3           HA       GLU   3 -12.713  -9.692  -4.041
   14   1HB   GLU   3          2HB       GLU   3 -13.479 -10.828  -6.308
   15   2HB   GLU   3          1HB       GLU   3 -13.838 -11.688  -4.833
   16   1HG   GLU   3          2HG       GLU   3 -15.760 -11.520  -6.532
   17   2HG   GLU   3          1HG       GLU   3 -16.154 -11.090  -4.883
   18    H    PHE   4           H        PHE   4 -14.632  -7.341  -4.272
   19    HA   PHE   4           HA       PHE   4 -14.052  -6.265  -6.939
   20   1HB   PHE   4          2HB       PHE   4 -15.067  -4.108  -5.937
   21   2HB   PHE   4          1HB       PHE   4 -16.121  -5.502  -6.003
   22    HD1  PHE   4           HD2      PHE   4 -14.116  -3.363  -3.737
   23    HD2  PHE   4           HD1      PHE   4 -16.893  -6.589  -3.972
   24    HE1  PHE   4           HE2      PHE   4 -14.512  -3.199  -1.329
   25    HE2  PHE   4           HE1      PHE   4 -17.290  -6.419  -1.560
   26    HZ   PHE   4           HZ       PHE   4 -16.101  -4.727  -0.230
   27    H    ARG   5           H        ARG   5 -12.975  -5.564  -3.659
   28    HA   ARG   5           HA       ARG   5 -11.251  -3.463  -4.077
   29   1HB   ARG   5          2HB       ARG   5 -11.953  -4.810  -1.942
   30   2HB   ARG   5          1HB       ARG   5 -10.470  -5.705  -2.215
   31   1HG   ARG   5          2HG       ARG   5  -9.120  -3.777  -1.970
   32   2HG   ARG   5          1HG       ARG   5 -10.468  -2.676  -2.197
   33   1HD   ARG   5          2HD       ARG   5 -10.061  -4.513   0.197
   34   2HD   ARG   5          1HD       ARG   5  -9.874  -2.756   0.196
   35    HE   ARG   5           HE       ARG   5 -12.466  -3.196  -0.725
   36   1HH1  ARG   5          1HH2      ARG   5 -10.627  -4.007   2.098
   37   2HH1  ARG   5          2HH2      ARG   5 -12.012  -4.018   3.137
   38   1HH2  ARG   5          2HH1      ARG   5 -14.239  -3.205   0.580
   39   2HH2  ARG   5          1HH1      ARG   5 -14.080  -3.556   2.268
   40    H    HIS   6           H        HIS   6 -10.863  -6.471  -5.045
   41    HA   HIS   6           HA       HIS   6  -8.096  -6.964  -5.319
   42   1HB   HIS   6          2HB       HIS   6 -10.373  -7.845  -7.140
   43   2HB   HIS   6          1HB       HIS   6  -8.754  -8.521  -7.197
   44    HD1  HIS   6           HD1      HIS   6 -10.477 -10.621  -6.516
   45    HD2  HIS   6           HD2      HIS   6  -9.453  -8.051  -3.513
   46    HE1  HIS   6           HE1      HIS   6 -10.912 -11.815  -4.403
   47    H    ASP   7           H        ASP   7 -10.245  -5.334  -7.631
   48    HA   ASP   7           HA       ASP   7  -8.241  -3.600  -8.598
   49   1HB   ASP   7          2HB       ASP   7  -7.885  -6.176  -9.694
   50   2HB   ASP   7          1HB       ASP   7  -8.873  -5.418 -10.917
   51    H    SER   8           H        SER   8 -11.132  -4.054  -8.021
   52    HA   SER   8           HA       SER   8 -12.193  -2.101  -9.954
   53   1HB   SER   8          2HB       SER   8 -13.475  -4.848  -9.412
   54   2HB   SER   8          1HB       SER   8 -14.268  -3.544 -10.314
   55    HG   SER   8           HG       SER   8 -13.111  -4.092 -11.951
   56    H    GLY   9           H        GLY   9 -11.344  -2.063  -7.254
   57   1HA   GLY   9          2HA       GLY   9 -13.890  -1.398  -5.809
   58   2HA   GLY   9          1HA       GLY   9 -12.471  -2.057  -5.002
   59    H    TYR  10           H        TYR  10 -10.472  -0.595  -6.301
   60    HA   TYR  10           HA       TYR  10 -11.094   2.236  -5.839
   61   1HB   TYR  10          2HB       TYR  10  -9.682   2.462  -3.985
   62   2HB   TYR  10          1HB       TYR  10  -9.945   0.740  -3.787
   63    HD1  TYR  10           HD1      TYR  10  -8.323  -0.811  -5.210
   64    HD2  TYR  10           HD2      TYR  10  -7.432   3.228  -4.183
   65    HE1  TYR  10           HE1      TYR  10  -5.956  -1.240  -5.595
   66    HE2  TYR  10           HE2      TYR  10  -5.065   2.795  -4.569
   67    HH   TYR  10           HH       TYR  10  -3.806   0.744  -6.238
   68    H    GLU  11           H        GLU  11  -8.961   3.444  -6.181
   69    HA   GLU  11           HA       GLU  11  -7.014   2.588  -8.072
   70   1HB   GLU  11          2HB       GLU  11  -7.781   3.870 -10.061
   71   2HB   GLU  11          1HB       GLU  11  -9.018   2.706  -9.663
   72   1HG   GLU  11          2HG       GLU  11  -9.071   5.662  -8.895
   73   2HG   GLU  11          1HG       GLU  11  -9.971   4.933 -10.206
   74    H    VAL  12           H        VAL  12  -5.449   4.042  -8.165
   75    HA   VAL  12           HA       VAL  12  -5.861   6.751  -7.037
   76    HB   VAL  12           HB       VAL  12  -4.238   4.490  -5.823
   77   1HG1  VAL  12          1HG1      VAL  12  -3.489   7.416  -5.699
   78   2HG1  VAL  12          3HG1      VAL  12  -3.089   6.319  -4.386
   79   3HG1  VAL  12          2HG1      VAL  12  -2.435   6.029  -5.981
   80   1HG2  VAL  12          3HG2      VAL  12  -5.930   6.767  -4.755
   81   2HG2  VAL  12          2HG2      VAL  12  -6.395   5.073  -4.860
   82   3HG2  VAL  12          1HG2      VAL  12  -5.134   5.566  -3.741
   83    H    HIS  13           H        HIS  13  -3.279   4.582  -8.056
   84    HA   HIS  13           HA       HIS  13  -1.588   4.786  -9.615
   85   1HB   HIS  13          2HB       HIS  13  -3.460   6.914 -10.800
   86   2HB   HIS  13          1HB       HIS  13  -1.978   6.370 -11.565
   87    HD1  HIS  13           HD1      HIS  13  -2.511   4.542 -13.159
   88    HD2  HIS  13           HD2      HIS  13  -5.005   4.341  -9.941
   89    HE1  HIS  13           HE1      HIS  13  -3.979   2.596 -13.542
   90    H    HIS  14           H        HIS  14  -2.215   7.134  -7.368
   91    HA   HIS  14           HA       HIS  14  -0.067   8.964  -8.145
   92   1HB   HIS  14          2HB       HIS  14  -2.117   8.928  -5.910
   93   2HB   HIS  14          1HB       HIS  14  -0.664   9.897  -5.711
   94    HD1  HIS  14           HD1      HIS  14  -0.740  12.121  -6.925
   95    HD2  HIS  14           HD2      HIS  14  -3.576   9.557  -8.288
   96    HE1  HIS  14           HE1      HIS  14  -2.125  13.423  -8.502
   97    H    GLN  15           H        GLN  15  -0.534   8.033  -4.840
   98    HA   GLN  15           HA       GLN  15   2.171   7.253  -4.366
   99   1HB   GLN  15          2HB       GLN  15  -0.095   6.110  -2.706
  100   2HB   GLN  15          1HB       GLN  15   1.477   6.654  -2.171
  101   1HG   GLN  15          2HG       GLN  15   0.299   8.491  -1.440
  102   2HG   GLN  15          1HG       GLN  15   0.481   9.038  -3.099
  103   1HE2  GLN  15          2HE2      GLN  15  -2.995   9.101  -3.535
  104   2HE2  GLN  15          1HE2      GLN  15  -1.474   9.760  -3.899
  105    H    GLU  16           H        GLU  16  -0.576   5.588  -5.454
  106    HA   GLU  16           HA       GLU  16  -0.152   2.915  -5.047
  107   1HB   GLU  16          2HB       GLU  16  -2.081   3.828  -6.156
  108   2HB   GLU  16          1HB       GLU  16  -1.101   4.352  -7.514
  109   1HG   GLU  16          2HG       GLU  16  -0.548   1.993  -8.020
  110   2HG   GLU  16          1HG       GLU  16  -1.516   1.471  -6.652
  111    H    LEU  17           H        LEU  17   1.269   4.804  -7.689
  112    HA   LEU  17           HA       LEU  17   2.924   2.531  -8.472
  113   1HB   LEU  17          2HB       LEU  17   3.351   5.296  -9.646
  114   2HB   LEU  17          1HB       LEU  17   3.440   3.751 -10.466
  115    HG   LEU  17           HG       LEU  17   0.902   5.036  -9.446
  116   1HD1  LEU  17          2HD1      LEU  17   2.036   4.888 -12.283
  117   2HD1  LEU  17          1HD1      LEU  17   0.441   5.506 -11.886
  118   3HD1  LEU  17          3HD1      LEU  17   1.873   6.345 -11.316
  119   1HD2  LEU  17          3HD2      LEU  17   0.765   2.536  -9.653
  120   2HD2  LEU  17          2HD2      LEU  17  -0.237   3.296 -10.876
  121   3HD2  LEU  17          1HD2      LEU  17   1.331   2.638 -11.309
  122    H    VAL  18           H        VAL  18   3.106   5.326  -6.634
  123    HA   VAL  18           HA       VAL  18   5.993   5.580  -6.639
  124    HB   VAL  18           HB       VAL  18   3.985   6.401  -4.506
  125   1HG1  VAL  18          2HG1      VAL  18   6.894   7.090  -5.009
  126   2HG1  VAL  18          1HG1      VAL  18   5.838   8.169  -4.102
  127   3HG1  VAL  18          3HG1      VAL  18   6.142   6.547  -3.524
  128   1HG2  VAL  18          2HG2      VAL  18   3.780   7.181  -7.031
  129   2HG2  VAL  18          1HG2      VAL  18   3.735   8.410  -5.784
  130   3HG2  VAL  18          3HG2      VAL  18   5.220   8.102  -6.695
  131    H    PHE  19           H        PHE  19   3.785   3.359  -5.351
  132    HA   PHE  19           HA       PHE  19   5.383   2.493  -3.092
  133   1HB   PHE  19          2HB       PHE  19   3.201   1.009  -4.653
  134   2HB   PHE  19          1HB       PHE  19   3.838   0.491  -3.106
  135    HD1  PHE  19           HD1      PHE  19   3.950   3.431  -1.932
  136    HD2  PHE  19           HD2      PHE  19   0.937   1.157  -3.897
  137    HE1  PHE  19           HE1      PHE  19   2.229   4.729  -0.774
  138    HE2  PHE  19           HE2      PHE  19  -0.792   2.459  -2.732
  139    HZ   PHE  19           HZ       PHE  19  -0.151   4.247  -1.172
  140    H    PHE  20           H        PHE  20   5.248   2.071  -6.414
  141    HA   PHE  20           HA       PHE  20   6.916  -0.373  -6.546
  142   1HB   PHE  20          2HB       PHE  20   5.531  -0.428  -8.411
  143   2HB   PHE  20          1HB       PHE  20   5.278   1.293  -8.428
  144    HD1  PHE  20           HD1      PHE  20   7.845  -1.303  -9.218
  145    HD2  PHE  20           HD2      PHE  20   6.449   2.646 -10.019
  146    HE1  PHE  20           HE1      PHE  20   9.471  -1.097 -11.044
  147    HE2  PHE  20           HE2      PHE  20   8.075   2.846 -11.843
  148    HZ   PHE  20           HZ       PHE  20   9.588   0.978 -12.360
  149    H    ALA  21           H        ALA  21   7.028   3.065  -7.231
  150    HA   ALA  21           HA       ALA  21   9.738   3.286  -8.029
  151   1HB   ALA  21          3HB       ALA  21   7.901   5.108  -8.126
  152   2HB   ALA  21          2HB       ALA  21   8.202   5.372  -6.414
  153   3HB   ALA  21          1HB       ALA  21   9.478   5.663  -7.580
  154    H    GLU  22           H        GLU  22   8.128   3.026  -5.001
  155    HA   GLU  22           HA       GLU  22  10.296   3.729  -3.296
  156   1HB   GLU  22          2HB       GLU  22   7.687   2.275  -2.983
  157   2HB   GLU  22          1HB       GLU  22   8.863   2.001  -1.719
  158   1HG   GLU  22          2HG       GLU  22   8.853   4.239  -1.010
  159   2HG   GLU  22          1HG       GLU  22   8.297   4.847  -2.560
  160    H    ASP  23           H        ASP  23   9.211   0.743  -4.686
  161    HA   ASP  23           HA       ASP  23  11.039  -1.057  -3.404
  162   1HB   ASP  23          2HB       ASP  23   9.696  -2.534  -4.534
  163   2HB   ASP  23          1HB       ASP  23   8.931  -1.214  -5.372
  164    H    VAL  24           H        VAL  24  11.101   0.577  -6.493
  165    HA   VAL  24           HA       VAL  24  13.606  -0.227  -7.499
  166    HB   VAL  24           HB       VAL  24  12.138   2.450  -7.779
  167   1HG1  VAL  24          2HG1      VAL  24  14.511   1.379  -9.354
  168   2HG1  VAL  24          1HG1      VAL  24  13.497   2.708  -9.894
  169   3HG1  VAL  24          3HG1      VAL  24  14.442   2.870  -8.427
  170   1HG2  VAL  24          3HG2      VAL  24  12.193  -0.074  -9.479
  171   2HG2  VAL  24          2HG2      VAL  24  10.810   0.620  -8.653
  172   3HG2  VAL  24          1HG2      VAL  24  11.508   1.447 -10.031
  173    H    GLY  25           H        GLY  25  12.838   2.649  -5.612
  174   1HA   GLY  25          2HA       GLY  25  14.688   2.703  -3.636
  175   2HA   GLY  25          1HA       GLY  25  15.625   3.298  -5.020
  176    H    SER  26           H        SER  26  14.112   4.747  -6.424
  177    HA   SER  26           HA       SER  26  12.248   6.526  -5.134
  178   1HB   SER  26          2HB       SER  26  14.549   7.299  -4.149
  179   2HB   SER  26          1HB       SER  26  14.984   7.784  -5.795
  180    HG   SER  26           HG       SER  26  13.744   9.435  -5.546
  181    H    ASN  27           H        ASN  27  12.071   4.988  -7.276
  182    HA   ASN  27           HA       ASN  27  11.450   4.929  -9.509
  183   1HB   ASN  27          2HB       ASN  27  10.443   7.318  -8.549
  184   2HB   ASN  27          1HB       ASN  27  11.469   7.926  -9.830
  185   1HD2  ASN  27          2HD2      ASN  27   7.952   6.320 -10.796
  186   2HD2  ASN  27          1HD2      ASN  27   8.385   6.765  -9.216
  187    H    LYS  28           H        LYS  28  14.330   5.458  -8.619
  188    HA   LYS  28           HA       LYS  28  15.704   6.909 -10.641
  189   1HB   LYS  28          2HB       LYS  28  16.606   4.642  -8.847
  190   2HB   LYS  28          1HB       LYS  28  17.697   5.601  -9.833
  191   1HG   LYS  28          2HG       LYS  28  17.098   7.646  -8.677
  192   2HG   LYS  28          1HG       LYS  28  15.778   6.870  -7.827
  193   1HD   LYS  28          2HD       LYS  28  18.597   5.823  -7.525
  194   2HD   LYS  28          1HD       LYS  28  18.078   7.229  -6.612
  195   1HE   LYS  28          2HE       LYS  28  16.521   6.014  -5.344
  196   2HE   LYS  28          1HE       LYS  28  16.310   4.781  -6.579
  197   1HZ   LYS  28          3HZ       LYS  28  18.978   4.755  -5.748
  198   2HZ   LYS  28          2HZ       LYS  28  17.990   4.735  -4.368
  199   3HZ   LYS  28          1HZ       LYS  28  17.794   3.551  -5.569
   
  No H/Q in entry =         199
  Start of MODEL    4
    1   1H    ASP   1          3H        ASP   1 -15.685  -7.204  -0.827
    2   2H    ASP   1          2H        ASP   1 -16.170  -6.256   0.496
    3   3H    ASP   1          1H        ASP   1 -15.366  -5.536  -0.814
    4    HA   ASP   1           HA       ASP   1 -13.428  -5.885   0.118
    5   1HB   ASP   1          2HB       ASP   1 -15.081  -7.291   2.269
    6   2HB   ASP   1          1HB       ASP   1 -13.372  -6.931   2.448
    7    H    ALA   2           H        ALA   2 -11.739  -7.288   0.076
    8    HA   ALA   2           HA       ALA   2 -11.979 -10.176   0.086
    9   1HB   ALA   2          3HB       ALA   2 -11.507  -8.753  -2.580
   10   2HB   ALA   2          2HB       ALA   2 -11.260 -10.474  -2.324
   11   3HB   ALA   2          1HB       ALA   2 -12.871  -9.790  -2.196
   12    H    GLU   3           H        GLU   3  -9.989  -7.729  -1.509
   13    HA   GLU   3           HA       GLU   3  -7.828  -8.083   0.363
   14   1HB   GLU   3          2HB       GLU   3  -6.202  -9.042  -1.349
   15   2HB   GLU   3          1HB       GLU   3  -7.540 -10.123  -1.040
   16   1HG   GLU   3          2HG       GLU   3  -7.254 -10.079  -3.433
   17   2HG   GLU   3          1HG       GLU   3  -8.703  -9.152  -3.105
   18    H    PHE   4           H        PHE   4  -9.504  -6.283  -1.416
   19    HA   PHE   4           HA       PHE   4  -7.585  -4.558  -2.730
   20   1HB   PHE   4          2HB       PHE   4 -10.518  -4.105  -2.016
   21   2HB   PHE   4          1HB       PHE   4  -9.576  -3.022  -3.030
   22    HD1  PHE   4           HD1      PHE   4 -11.072  -6.389  -2.783
   23    HD2  PHE   4           HD2      PHE   4  -8.928  -3.692  -5.292
   24    HE1  PHE   4           HE1      PHE   4 -11.516  -7.831  -4.719
   25    HE2  PHE   4           HE2      PHE   4  -9.373  -5.137  -7.222
   26    HZ   PHE   4           HZ       PHE   4 -10.668  -7.208  -6.940
   27    H    ARG   5           H        ARG   5  -9.401  -4.333   0.259
   28    HA   ARG   5           HA       ARG   5  -7.710  -2.019   1.057
   29   1HB   ARG   5          2HB       ARG   5  -9.571  -1.613   2.759
   30   2HB   ARG   5          1HB       ARG   5 -10.021  -1.404   1.086
   31   1HG   ARG   5          2HG       ARG   5 -10.389  -4.184   2.197
   32   2HG   ARG   5          1HG       ARG   5 -11.441  -2.955   2.863
   33   1HD   ARG   5          2HD       ARG   5 -11.089  -3.392  -0.128
   34   2HD   ARG   5          1HD       ARG   5 -12.383  -4.106   0.817
   35    HE   ARG   5           HE       ARG   5 -11.902  -1.152   0.686
   36   1HH1  ARG   5          1HH2      ARG   5 -14.083  -3.876   0.508
   37   2HH1  ARG   5          2HH2      ARG   5 -15.475  -2.866   0.342
   38   1HH2  ARG   5          2HH1      ARG   5 -13.671   0.104   0.476
   39   2HH2  ARG   5          1HH1      ARG   5 -15.246  -0.599   0.322
   40    H    HIS   6           H        HIS   6  -6.866  -4.744   1.184
   41    HA   HIS   6           HA       HIS   6  -6.222  -4.970   4.034
   42   1HB   HIS   6          2HB       HIS   6  -8.088  -6.575   3.585
   43   2HB   HIS   6          1HB       HIS   6  -7.251  -7.173   2.162
   44    HD1  HIS   6           HD1      HIS   6  -7.842  -8.457   5.250
   45    HD2  HIS   6           HD2      HIS   6  -4.362  -7.787   3.266
   46    HE1  HIS   6           HE1      HIS   6  -6.179  -9.964   6.278
   47    H    ASP   7           H        ASP   7  -5.721  -6.223   0.756
   48    HA   ASP   7           HA       ASP   7  -2.807  -6.263   1.228
   49   1HB   ASP   7          2HB       ASP   7  -4.380  -7.583  -1.043
   50   2HB   ASP   7          1HB       ASP   7  -2.707  -7.883  -0.620
   51    H    SER   8           H        SER   8  -4.473  -3.979   0.688
   52    HA   SER   8           HA       SER   8  -4.601  -2.054  -0.615
   53   1HB   SER   8          2HB       SER   8  -1.661  -2.853  -1.025
   54   2HB   SER   8          1HB       SER   8  -2.314  -1.239  -1.349
   55    HG   SER   8           HG       SER   8  -1.670  -2.353   0.994
   56    H    GLY   9           H        GLY   9  -5.547  -4.315  -1.902
   57   1HA   GLY   9          2HA       GLY   9  -4.546  -4.514  -4.627
   58   2HA   GLY   9          1HA       GLY   9  -6.045  -5.210  -4.028
   59    H    TYR  10           H        TYR  10  -6.320  -2.206  -3.046
   60    HA   TYR  10           HA       TYR  10  -8.298  -1.381  -4.877
   61   1HB   TYR  10          2HB       TYR  10  -8.219   0.768  -3.644
   62   2HB   TYR  10          1HB       TYR  10  -8.077  -0.574  -2.524
   63    HD1  TYR  10           HD1      TYR  10  -5.834   1.734  -4.526
   64    HD2  TYR  10           HD2      TYR  10  -6.340  -0.507  -0.939
   65    HE1  TYR  10           HE1      TYR  10  -3.741   2.624  -3.685
   66    HE2  TYR  10           HE2      TYR  10  -4.235   0.399  -0.099
   67    HH   TYR  10           HH       TYR  10  -2.819   2.435  -0.474
   68    H    GLU  11           H        GLU  11  -8.182   0.882  -5.895
   69    HA   GLU  11           HA       GLU  11  -5.688   1.116  -7.519
   70   1HB   GLU  11          2HB       GLU  11  -8.613   1.181  -8.281
   71   2HB   GLU  11          1HB       GLU  11  -7.525   2.218  -9.186
   72   1HG   GLU  11          2HG       GLU  11  -6.642  -0.622  -8.719
   73   2HG   GLU  11          1HG       GLU  11  -7.935  -0.358  -9.877
   74    H    VAL  12           H        VAL  12  -4.784   2.930  -7.675
   75    HA   VAL  12           HA       VAL  12  -6.108   5.394  -6.649
   76    HB   VAL  12           HB       VAL  12  -3.719   3.964  -5.543
   77   1HG1  VAL  12          2HG1      VAL  12  -3.837   6.961  -5.840
   78   2HG1  VAL  12          1HG1      VAL  12  -3.303   6.334  -4.294
   79   3HG1  VAL  12          3HG1      VAL  12  -2.439   5.893  -5.743
   80   1HG2  VAL  12          3HG2      VAL  12  -5.942   3.938  -4.456
   81   2HG2  VAL  12          2HG2      VAL  12  -4.757   4.731  -3.429
   82   3HG2  VAL  12          1HG2      VAL  12  -5.914   5.689  -4.349
   83    H    HIS  13           H        HIS  13  -3.074   4.241  -8.016
   84    HA   HIS  13           HA       HIS  13  -1.894   4.872  -9.918
   85   1HB   HIS  13          2HB       HIS  13  -4.058   7.003 -10.413
   86   2HB   HIS  13          1HB       HIS  13  -2.804   6.507 -11.513
   87    HD1  HIS  13           HD1      HIS  13  -4.382   5.566 -13.223
   88    HD2  HIS  13           HD2      HIS  13  -4.937   3.722  -9.620
   89    HE1  HIS  13           HE1      HIS  13  -5.840   3.624 -13.645
   90    H    HIS  14           H        HIS  14  -2.431   6.787  -7.269
   91    HA   HIS  14           HA       HIS  14  -0.567   8.928  -8.075
   92   1HB   HIS  14          2HB       HIS  14  -2.402   8.595  -5.649
   93   2HB   HIS  14          1HB       HIS  14  -1.175   9.850  -5.720
   94    HD1  HIS  14           HD1      HIS  14  -2.108  11.953  -6.720
   95    HD2  HIS  14           HD2      HIS  14  -4.062   8.683  -8.132
   96    HE1  HIS  14           HE1      HIS  14  -3.869  12.811  -8.223
   97    H    GLN  15           H        GLN  15  -0.791   7.877  -4.793
   98    HA   GLN  15           HA       GLN  15   2.007   7.329  -4.475
   99   1HB   GLN  15          2HB       GLN  15  -0.288   6.228  -2.792
  100   2HB   GLN  15          1HB       GLN  15   1.377   6.433  -2.275
  101   1HG   GLN  15          2HG       GLN  15   1.147   8.914  -2.532
  102   2HG   GLN  15          1HG       GLN  15  -0.535   8.701  -3.007
  103   1HE2  GLN  15          2HE2      GLN  15  -1.628   7.798   0.283
  104   2HE2  GLN  15          1HE2      GLN  15  -1.957   7.548  -1.363
  105    H    GLU  16           H        GLU  16  -0.551   5.541  -5.714
  106    HA   GLU  16           HA       GLU  16   0.027   2.884  -5.288
  107   1HB   GLU  16          2HB       GLU  16  -1.883   3.715  -6.552
  108   2HB   GLU  16          1HB       GLU  16  -0.829   4.232  -7.858
  109   1HG   GLU  16          2HG       GLU  16  -0.262   2.001  -8.444
  110   2HG   GLU  16          1HG       GLU  16  -0.842   1.355  -6.916
  111    H    LEU  17           H        LEU  17   1.372   4.919  -7.877
  112    HA   LEU  17           HA       LEU  17   3.257   2.835  -8.568
  113   1HB   LEU  17          2HB       LEU  17   4.057   4.409 -10.321
  114   2HB   LEU  17          1HB       LEU  17   2.310   4.401 -10.306
  115    HG   LEU  17           HG       LEU  17   2.890   6.350  -8.425
  116   1HD1  LEU  17          2HD1      LEU  17   4.942   6.614 -10.665
  117   2HD1  LEU  17          1HD1      LEU  17   4.580   7.865  -9.487
  118   3HD1  LEU  17          3HD1      LEU  17   5.300   6.354  -8.966
  119   1HD2  LEU  17          2HD2      LEU  17   1.281   6.344 -10.474
  120   2HD2  LEU  17          1HD2      LEU  17   1.941   7.894  -9.983
  121   3HD2  LEU  17          3HD2      LEU  17   2.613   7.050 -11.369
  122    H    VAL  18           H        VAL  18   3.224   5.402  -6.411
  123    HA   VAL  18           HA       VAL  18   6.088   5.825  -6.290
  124    HB   VAL  18           HB       VAL  18   3.942   6.312  -4.174
  125   1HG1  VAL  18          3HG1      VAL  18   6.833   7.188  -4.475
  126   2HG1  VAL  18          2HG1      VAL  18   5.690   8.092  -3.484
  127   3HG1  VAL  18          1HG1      VAL  18   6.062   6.422  -3.098
  128   1HG2  VAL  18          2HG2      VAL  18   5.082   7.974  -6.453
  129   2HG2  VAL  18          1HG2      VAL  18   3.440   7.387  -6.310
  130   3HG2  VAL  18          3HG2      VAL  18   4.013   8.626  -5.204
  131    H    PHE  19           H        PHE  19   3.897   3.476  -5.245
  132    HA   PHE  19           HA       PHE  19   5.497   2.369  -3.077
  133   1HB   PHE  19          2HB       PHE  19   3.335   0.966  -4.716
  134   2HB   PHE  19          1HB       PHE  19   3.922   0.472  -3.141
  135    HD1  PHE  19           HD1      PHE  19   3.978   3.379  -1.956
  136    HD2  PHE  19           HD2      PHE  19   1.049   1.147  -4.096
  137    HE1  PHE  19           HE1      PHE  19   2.200   4.674  -0.867
  138    HE2  PHE  19           HE2      PHE  19  -0.730   2.446  -3.006
  139    HZ   PHE  19           HZ       PHE  19  -0.159   4.211  -1.393
  140    H    PHE  20           H        PHE  20   5.311   2.228  -6.438
  141    HA   PHE  20           HA       PHE  20   6.854  -0.272  -6.777
  142   1HB   PHE  20          2HB       PHE  20   5.437  -0.026  -8.611
  143   2HB   PHE  20          1HB       PHE  20   5.434   1.713  -8.539
  144    HD1  PHE  20           HD1      PHE  20   7.528  -1.206  -9.552
  145    HD2  PHE  20           HD2      PHE  20   6.885   2.991  -9.957
  146    HE1  PHE  20           HE1      PHE  20   9.170  -1.125 -11.373
  147    HE2  PHE  20           HE2      PHE  20   8.528   3.065 -11.774
  148    HZ   PHE  20           HZ       PHE  20   9.673   1.008 -12.488
  149    H    ALA  21           H        ALA  21   7.251   3.174  -7.316
  150    HA   ALA  21           HA       ALA  21  10.002   3.190  -7.993
  151   1HB   ALA  21          1HB       ALA  21   8.389   5.125  -8.274
  152   2HB   ALA  21          3HB       ALA  21   8.395   5.340  -6.533
  153   3HB   ALA  21          2HB       ALA  21   9.867   5.612  -7.456
  154    H    GLU  22           H        GLU  22   8.241   3.156  -5.039
  155    HA   GLU  22           HA       GLU  22  10.262   3.750  -3.178
  156   1HB   GLU  22          2HB       GLU  22   8.095   3.761  -2.287
  157   2HB   GLU  22          1HB       GLU  22   7.635   2.333  -3.178
  158   1HG   GLU  22          2HG       GLU  22   9.235   1.075  -1.447
  159   2HG   GLU  22          1HG       GLU  22   8.963   2.528  -0.496
  160    H    ASP  23           H        ASP  23   9.273   0.763  -4.619
  161    HA   ASP  23           HA       ASP  23  11.101  -0.965  -3.189
  162   1HB   ASP  23          2HB       ASP  23   9.229  -1.215  -5.542
  163   2HB   ASP  23          1HB       ASP  23  10.440  -2.468  -5.329
  164    H    VAL  24           H        VAL  24  11.055   0.381  -6.432
  165    HA   VAL  24           HA       VAL  24  13.443  -0.626  -7.483
  166    HB   VAL  24           HB       VAL  24  12.127   2.105  -7.886
  167   1HG1  VAL  24          1HG1      VAL  24  14.393   0.787  -9.439
  168   2HG1  VAL  24          3HG1      VAL  24  13.407   2.077 -10.109
  169   3HG1  VAL  24          2HG1      VAL  24  14.392   2.376  -8.691
  170   1HG2  VAL  24          3HG2      VAL  24  10.865  -0.080  -8.498
  171   2HG2  VAL  24          2HG2      VAL  24  11.033   1.117  -9.768
  172   3HG2  VAL  24          1HG2      VAL  24  12.074  -0.296  -9.750
  173    H    GLY  25           H        GLY  25  13.022   2.422  -5.719
  174   1HA   GLY  25          2HA       GLY  25  14.933   2.570  -3.899
  175   2HA   GLY  25          1HA       GLY  25  15.945   2.711  -5.341
  176    H    SER  26           H        SER  26  16.516   4.758  -5.439
  177    HA   SER  26           HA       SER  26  14.465   6.864  -5.776
  178   1HB   SER  26          2HB       SER  26  16.673   6.954  -3.633
  179   2HB   SER  26          1HB       SER  26  15.707   8.363  -4.106
  180    HG   SER  26           HG       SER  26  14.172   7.595  -2.936
  181    H    ASN  27           H        ASN  27  15.902   5.661  -7.670
  182    HA   ASN  27           HA       ASN  27  17.252   6.040  -9.510
  183   1HB   ASN  27          2HB       ASN  27  16.012   8.354  -9.222
  184   2HB   ASN  27          1HB       ASN  27  17.559   8.946  -8.637
  185   1HD2  ASN  27          2HD2      ASN  27  17.181   7.868 -12.581
  186   2HD2  ASN  27          1HD2      ASN  27  16.073   7.270 -11.441
  187    H    LYS  28           H        LYS  28  18.379   5.883  -6.581
  188    HA   LYS  28           HA       LYS  28  20.436   5.676  -5.551
  189   1HB   LYS  28          2HB       LYS  28  21.644   5.450  -8.346
  190   2HB   LYS  28          1HB       LYS  28  22.162   4.642  -6.885
  191   1HG   LYS  28          2HG       LYS  28  19.607   4.067  -8.453
  192   2HG   LYS  28          1HG       LYS  28  21.018   3.041  -8.333
  193   1HD   LYS  28          2HD       LYS  28  20.638   2.769  -5.884
  194   2HD   LYS  28          1HD       LYS  28  19.215   3.793  -5.985
  195   1HE   LYS  28          2HE       LYS  28  18.227   2.171  -7.657
  196   2HE   LYS  28          1HE       LYS  28  19.595   1.105  -7.356
  197   1HZ   LYS  28          3HZ       LYS  28  18.534   1.888  -4.893
  198   2HZ   LYS  28          2HZ       LYS  28  17.252   1.374  -5.879
  199   3HZ   LYS  28          1HZ       LYS  28  18.566   0.340  -5.591
   
  No H/Q in entry =         199
  Start of MODEL    5
    1   1H    ASP   1          3H        ASP   1 -20.753   6.311  -7.164
    2   2H    ASP   1          2H        ASP   1 -20.954   5.290  -8.501
    3   3H    ASP   1          1H        ASP   1 -22.309   5.819  -7.626
    4    HA   ASP   1           HA       ASP   1 -22.195   4.109  -6.282
    5   1HB   ASP   1          2HB       ASP   1 -20.642   2.248  -6.837
    6   2HB   ASP   1          1HB       ASP   1 -21.309   2.922  -8.304
    7    H    ALA   2           H        ALA   2 -21.836   5.460  -4.506
    8    HA   ALA   2           HA       ALA   2 -20.789   6.170  -2.547
    9   1HB   ALA   2          3HB       ALA   2 -20.250   3.613  -2.537
   10   2HB   ALA   2          2HB       ALA   2 -18.645   4.054  -3.097
   11   3HB   ALA   2          1HB       ALA   2 -19.219   4.630  -1.545
   12    H    GLU   3           H        GLU   3 -20.386   7.810  -4.442
   13    HA   GLU   3           HA       GLU   3 -17.581   8.311  -5.054
   14   1HB   GLU   3          2HB       GLU   3 -20.227   9.196  -6.027
   15   2HB   GLU   3          1HB       GLU   3 -19.124  10.553  -5.876
   16   1HG   GLU   3          2HG       GLU   3 -18.614   9.729  -8.010
   17   2HG   GLU   3          1HG       GLU   3 -17.365   9.027  -7.004
   18    H    PHE   4           H        PHE   4 -17.123   8.254  -3.086
   19    HA   PHE   4           HA       PHE   4 -16.511  10.801  -1.799
   20   1HB   PHE   4          2HB       PHE   4 -17.678   8.673   0.067
   21   2HB   PHE   4          1HB       PHE   4 -17.490  10.388   0.371
   22    HD1  PHE   4           HD2      PHE   4 -19.133  12.009  -0.546
   23    HD2  PHE   4           HD1      PHE   4 -19.606   7.816  -1.147
   24    HE1  PHE   4           HE2      PHE   4 -21.461  12.366  -1.231
   25    HE2  PHE   4           HE1      PHE   4 -21.933   8.178  -1.833
   26    HZ   PHE   4           HZ       PHE   4 -22.865  10.454  -1.876
   27    H    ARG   5           H        ARG   5 -16.251   7.395  -2.168
   28    HA   ARG   5           HA       ARG   5 -13.817   7.101  -0.540
   29   1HB   ARG   5          2HB       ARG   5 -14.973   5.028  -2.332
   30   2HB   ARG   5          1HB       ARG   5 -14.041   4.820  -0.862
   31   1HG   ARG   5          2HG       ARG   5 -16.047   6.048   0.295
   32   2HG   ARG   5          1HG       ARG   5 -16.928   5.659  -1.172
   33   1HD   ARG   5          2HD       ARG   5 -15.776   3.771   0.892
   34   2HD   ARG   5          1HD       ARG   5 -17.396   3.790   0.197
   35    HE   ARG   5           HE       ARG   5 -14.950   3.045  -1.369
   36   1HH1  ARG   5          2HH1      ARG   5 -18.268   2.423  -0.477
   37   2HH1  ARG   5          1HH1      ARG   5 -18.404   1.096  -1.574
   38   1HH2  ARG   5          1HH2      ARG   5 -15.134   1.378  -2.736
   39   2HH2  ARG   5          2HH2      ARG   5 -16.614   0.491  -2.869
   40    H    HIS   6           H        HIS   6 -14.029   8.806  -2.838
   41    HA   HIS   6           HA       HIS   6 -12.692   9.530  -4.646
   42   1HB   HIS   6          2HB       HIS   6 -10.841   7.098  -4.173
   43   2HB   HIS   6          1HB       HIS   6 -10.411   8.677  -4.804
   44    HD1  HIS   6           HD1      HIS   6 -10.735   6.891  -1.646
   45    HD2  HIS   6           HD2      HIS   6 -10.322  10.786  -2.798
   46    HE1  HIS   6           HE1      HIS   6 -10.100   8.150   0.378
   47    H    ASP   7           H        ASP   7 -14.862   8.412  -4.953
   48    HA   ASP   7           HA       ASP   7 -16.305   7.310  -6.332
   49   1HB   ASP   7          2HB       ASP   7 -14.456   8.284  -7.993
   50   2HB   ASP   7          1HB       ASP   7 -14.055   6.595  -8.243
   51    H    SER   8           H        SER   8 -15.813   5.809  -4.295
   52    HA   SER   8           HA       SER   8 -15.933   3.649  -3.506
   53   1HB   SER   8          2HB       SER   8 -17.016   3.528  -6.184
   54   2HB   SER   8          1HB       SER   8 -16.062   2.067  -5.986
   55    HG   SER   8           HG       SER   8 -17.450   2.671  -3.730
   56    H    GLY   9           H        GLY   9 -13.419   4.829  -4.187
   57   1HA   GLY   9          2HA       GLY   9 -11.160   4.215  -3.942
   58   2HA   GLY   9          1HA       GLY   9 -11.689   2.553  -3.712
   59    H    TYR  10           H        TYR  10 -11.646   4.963  -6.317
   60    HA   TYR  10           HA       TYR  10 -11.471   3.137  -8.475
   61   1HB   TYR  10          2HB       TYR  10 -11.312   5.056  -9.818
   62   2HB   TYR  10          1HB       TYR  10 -12.129   5.678  -8.392
   63    HD1  TYR  10           HD1      TYR  10 -10.014   6.157  -6.426
   64    HD2  TYR  10           HD2      TYR  10  -9.862   6.692 -10.656
   65    HE1  TYR  10           HE1      TYR  10  -8.215   7.778  -6.161
   66    HE2  TYR  10           HE2      TYR  10  -8.058   8.316 -10.375
   67    HH   TYR  10           HH       TYR  10  -6.167   8.617  -8.303
   68    H    GLU  11           H        GLU  11  -9.525   3.951 -10.110
   69    HA   GLU  11           HA       GLU  11  -7.178   2.593  -9.021
   70   1HB   GLU  11          2HB       GLU  11  -8.235   3.367 -11.698
   71   2HB   GLU  11          1HB       GLU  11  -6.508   3.609 -11.584
   72   1HG   GLU  11          2HG       GLU  11  -6.693   1.345 -12.263
   73   2HG   GLU  11          1HG       GLU  11  -6.425   1.219 -10.534
   74    H    VAL  12           H        VAL  12  -6.266   3.689  -7.608
   75    HA   VAL  12           HA       VAL  12  -5.985   6.473  -7.320
   76    HB   VAL  12           HB       VAL  12  -4.394   4.103  -6.256
   77   1HG1  VAL  12          2HG1      VAL  12  -3.914   7.054  -5.802
   78   2HG1  VAL  12          1HG1      VAL  12  -3.609   5.923  -4.496
   79   3HG1  VAL  12          3HG1      VAL  12  -2.727   5.767  -6.000
   80   1HG2  VAL  12          1HG2      VAL  12  -6.757   4.485  -5.514
   81   2HG2  VAL  12          3HG2      VAL  12  -5.612   4.671  -4.192
   82   3HG2  VAL  12          2HG2      VAL  12  -6.302   6.092  -4.966
   83    H    HIS  13           H        HIS  13  -3.325   4.321  -8.213
   84    HA   HIS  13           HA       HIS  13  -1.423   4.674  -9.524
   85   1HB   HIS  13          2HB       HIS  13  -3.449   6.414 -11.009
   86   2HB   HIS  13          1HB       HIS  13  -1.820   6.131 -11.599
   87    HD1  HIS  13           HD1      HIS  13  -1.872   4.211 -13.171
   88    HD2  HIS  13           HD2      HIS  13  -4.576   3.605 -10.178
   89    HE1  HIS  13           HE1      HIS  13  -2.918   2.020 -13.610
   90    H    HIS  14           H        HIS  14  -2.364   6.880  -7.373
   91    HA   HIS  14           HA       HIS  14  -0.609   9.090  -8.133
   92   1HB   HIS  14          2HB       HIS  14  -2.585   8.615  -5.905
   93   2HB   HIS  14          1HB       HIS  14  -1.272   9.731  -5.581
   94    HD1  HIS  14           HD1      HIS  14  -1.546  12.016  -6.635
   95    HD2  HIS  14           HD2      HIS  14  -4.146   9.322  -8.214
   96    HE1  HIS  14           HE1      HIS  14  -3.063  13.308  -8.095
   97    H    GLN  15           H        GLN  15  -1.014   7.406  -5.129
   98    HA   GLN  15           HA       GLN  15   1.884   7.274  -4.533
   99   1HB   GLN  15          2HB       GLN  15  -0.365   6.072  -2.878
  100   2HB   GLN  15          1HB       GLN  15   1.200   6.631  -2.317
  101   1HG   GLN  15          2HG       GLN  15   0.526   8.987  -2.743
  102   2HG   GLN  15          1HG       GLN  15  -1.024   8.444  -3.377
  103   1HE2  GLN  15          2HE2      GLN  15  -2.371   7.606  -0.191
  104   2HE2  GLN  15          1HE2      GLN  15  -2.475   7.270  -1.852
  105    H    GLU  16           H        GLU  16  -0.681   5.363  -5.667
  106    HA   GLU  16           HA       GLU  16  -0.012   2.746  -5.140
  107   1HB   GLU  16          2HB       GLU  16  -1.984   3.320  -6.362
  108   2HB   GLU  16          1HB       GLU  16  -1.040   4.070  -7.631
  109   1HG   GLU  16          2HG       GLU  16  -0.034   1.772  -8.116
  110   2HG   GLU  16          1HG       GLU  16  -1.187   1.106  -6.976
  111    H    LEU  17           H        LEU  17   1.242   4.719  -7.779
  112    HA   LEU  17           HA       LEU  17   3.167   2.698  -8.523
  113   1HB   LEU  17          2HB       LEU  17   3.612   5.508  -9.526
  114   2HB   LEU  17          1HB       LEU  17   3.628   4.017 -10.439
  115    HG   LEU  17           HG       LEU  17   1.130   5.346  -9.373
  116   1HD1  LEU  17          3HD1      LEU  17   2.403   5.470 -12.144
  117   2HD1  LEU  17          2HD1      LEU  17   0.773   6.025 -11.800
  118   3HD1  LEU  17          1HD1      LEU  17   2.145   6.815 -11.045
  119   1HD2  LEU  17          2HD2      LEU  17   1.561   3.086 -11.400
  120   2HD2  LEU  17          1HD2      LEU  17   0.832   2.918  -9.814
  121   3HD2  LEU  17          3HD2      LEU  17  -0.001   3.815 -11.070
  122    H    VAL  18           H        VAL  18   3.116   5.319  -6.432
  123    HA   VAL  18           HA       VAL  18   5.990   5.755  -6.342
  124    HB   VAL  18           HB       VAL  18   3.847   6.329  -4.241
  125   1HG1  VAL  18          2HG1      VAL  18   6.749   7.178  -4.545
  126   2HG1  VAL  18          1HG1      VAL  18   5.601   8.108  -3.589
  127   3HG1  VAL  18          3HG1      VAL  18   5.973   6.450  -3.149
  128   1HG2  VAL  18          3HG2      VAL  18   3.578   7.271  -6.587
  129   2HG2  VAL  18          2HG2      VAL  18   3.757   8.508  -5.354
  130   3HG2  VAL  18          1HG2      VAL  18   5.121   8.063  -6.392
  131    H    PHE  19           H        PHE  19   3.826   3.420  -5.190
  132    HA   PHE  19           HA       PHE  19   5.462   2.410  -3.007
  133   1HB   PHE  19          2HB       PHE  19   3.319   0.915  -4.592
  134   2HB   PHE  19          1HB       PHE  19   3.914   0.490  -3.002
  135    HD1  PHE  19           HD1      PHE  19   3.926   3.548  -2.052
  136    HD2  PHE  19           HD2      PHE  19   1.029   0.991  -3.846
  137    HE1  PHE  19           HE1      PHE  19   2.133   4.851  -1.006
  138    HE2  PHE  19           HE2      PHE  19  -0.767   2.301  -2.794
  139    HZ   PHE  19           HZ       PHE  19  -0.219   4.232  -1.377
  140    H    PHE  20           H        PHE  20   5.241   2.153  -6.357
  141    HA   PHE  20           HA       PHE  20   6.860  -0.303  -6.643
  142   1HB   PHE  20          2HB       PHE  20   5.434  -0.164  -8.481
  143   2HB   PHE  20          1HB       PHE  20   5.349   1.575  -8.443
  144    HD1  PHE  20           HD1      PHE  20   7.589  -1.256  -9.392
  145    HD2  PHE  20           HD2      PHE  20   6.731   2.891  -9.896
  146    HE1  PHE  20           HE1      PHE  20   9.232  -1.132 -11.209
  147    HE2  PHE  20           HE2      PHE  20   8.376   3.008 -11.711
  148    HZ   PHE  20           HZ       PHE  20   9.630   0.999 -12.371
  149    H    ALA  21           H        ALA  21   7.136   3.150  -7.256
  150    HA   ALA  21           HA       ALA  21   9.854   3.229  -7.993
  151   1HB   ALA  21          2HB       ALA  21   8.233   5.161  -8.222
  152   2HB   ALA  21          1HB       ALA  21   8.258   5.354  -6.477
  153   3HB   ALA  21          3HB       ALA  21   9.713   5.655  -7.415
  154    H    GLU  22           H        GLU  22   8.192   3.120  -4.969
  155    HA   GLU  22           HA       GLU  22  10.353   3.733  -3.261
  156   1HB   GLU  22          2HB       GLU  22   7.690   2.433  -2.953
  157   2HB   GLU  22          1HB       GLU  22   8.842   1.944  -1.738
  158   1HG   GLU  22          2HG       GLU  22   8.011   4.810  -2.359
  159   2HG   GLU  22          1HG       GLU  22   7.601   3.892  -0.924
  160    H    ASP  23           H        ASP  23   9.292   0.745  -4.629
  161    HA   ASP  23           HA       ASP  23  11.164  -0.985  -3.265
  162   1HB   ASP  23          2HB       ASP  23   9.805  -2.570  -4.209
  163   2HB   ASP  23          1HB       ASP  23   8.902  -1.294  -4.982
  164    H    VAL  24           H        VAL  24  11.034   0.428  -6.465
  165    HA   VAL  24           HA       VAL  24  13.425  -0.507  -7.580
  166    HB   VAL  24           HB       VAL  24  11.895   2.093  -7.914
  167   1HG1  VAL  24          2HG1      VAL  24  14.336   1.136  -9.485
  168   2HG1  VAL  24          1HG1      VAL  24  13.216   2.332 -10.118
  169   3HG1  VAL  24          3HG1      VAL  24  14.138   2.680  -8.670
  170   1HG2  VAL  24          3HG2      VAL  24  12.090  -0.450  -9.563
  171   2HG2  VAL  24          2HG2      VAL  24  10.688   0.155  -8.696
  172   3HG2  VAL  24          1HG2      VAL  24  11.274   1.006 -10.109
  173    H    GLY  25           H        GLY  25  12.978   2.554  -5.776
  174   1HA   GLY  25          2HA       GLY  25  15.344   2.376  -4.267
  175   2HA   GLY  25          1HA       GLY  25  15.776   3.207  -5.756
  176    H    SER  26           H        SER  26  12.738   3.456  -4.020
  177    HA   SER  26           HA       SER  26  11.533   5.330  -3.332
  178   1HB   SER  26          2HB       SER  26  12.576   6.379  -1.347
  179   2HB   SER  26          1HB       SER  26  13.055   4.678  -1.380
  180    HG   SER  26           HG       SER  26  14.575   6.880  -1.605
  181    H    ASN  27           H        ASN  27  13.001   5.800  -5.805
  182    HA   ASN  27           HA       ASN  27  12.678   8.727  -5.927
  183   1HB   ASN  27          2HB       ASN  27  15.327   7.276  -6.396
  184   2HB   ASN  27          1HB       ASN  27  14.988   8.799  -7.201
  185   1HD2  ASN  27          2HD2      ASN  27  15.845   8.765  -3.222
  186   2HD2  ASN  27          1HD2      ASN  27  15.615   7.310  -4.063
  187    H    LYS  28           H        LYS  28  14.233   6.261  -7.834
  188    HA   LYS  28           HA       LYS  28  12.623   6.906 -10.215
  189   1HB   LYS  28          2HB       LYS  28  15.052   5.212  -9.609
  190   2HB   LYS  28          1HB       LYS  28  14.114   4.792 -11.024
  191   1HG   LYS  28          2HG       LYS  28  15.814   6.317 -11.757
  192   2HG   LYS  28          1HG       LYS  28  14.298   7.181 -11.819
  193   1HD   LYS  28          2HD       LYS  28  15.703   7.439  -9.194
  194   2HD   LYS  28          1HD       LYS  28  16.631   8.053 -10.544
  195   1HE   LYS  28          2HE       LYS  28  14.751   9.504 -11.231
  196   2HE   LYS  28          1HE       LYS  28  13.761   8.877  -9.923
  197   1HZ   LYS  28          3HZ       LYS  28  16.197   9.731  -8.853
  198   2HZ   LYS  28          2HZ       LYS  28  15.591  10.966  -9.850
  199   3HZ   LYS  28          1HZ       LYS  28  14.640  10.352  -8.583
   
  No H/Q in entry =         199
  Start of MODEL    6
    1   1H    ASP   1          2H        ASP   1 -20.446   6.904  -2.043
    2   2H    ASP   1          1H        ASP   1 -18.980   7.559  -2.589
    3   3H    ASP   1          3H        ASP   1 -20.334   7.543  -3.612
    4    HA   ASP   1           HA       ASP   1 -19.773   5.595  -4.408
    5   1HB   ASP   1          2HB       ASP   1 -17.415   6.350  -3.855
    6   2HB   ASP   1          1HB       ASP   1 -17.544   5.524  -2.314
    7    H    ALA   2           H        ALA   2 -20.001   3.353  -4.114
    8    HA   ALA   2           HA       ALA   2 -21.722   2.614  -1.892
    9   1HB   ALA   2          3HB       ALA   2 -21.659   1.700  -4.377
   10   2HB   ALA   2          2HB       ALA   2 -20.435   0.594  -3.777
   11   3HB   ALA   2          1HB       ALA   2 -22.046   0.588  -3.084
   12    H    GLU   3           H        GLU   3 -18.746   0.950  -2.972
   13    HA   GLU   3           HA       GLU   3 -17.316   1.362  -0.569
   14   1HB   GLU   3          2HB       GLU   3 -17.537  -0.995   0.414
   15   2HB   GLU   3          1HB       GLU   3 -19.033  -0.107   0.488
   16   1HG   GLU   3          2HG       GLU   3 -18.923  -1.491  -2.082
   17   2HG   GLU   3          1HG       GLU   3 -18.531  -2.629  -0.810
   18    H    PHE   4           H        PHE   4 -17.052   1.035  -3.459
   19    HA   PHE   4           HA       PHE   4 -14.838  -0.985  -3.527
   20   1HB   PHE   4          2HB       PHE   4 -14.995  -0.665  -6.049
   21   2HB   PHE   4          1HB       PHE   4 -16.380  -1.419  -5.302
   22    HD1  PHE   4           HD2      PHE   4 -18.471   0.014  -4.864
   23    HD2  PHE   4           HD1      PHE   4 -15.239   1.352  -7.300
   24    HE1  PHE   4           HE2      PHE   4 -19.938   1.680  -5.909
   25    HE2  PHE   4           HE1      PHE   4 -16.711   3.012  -8.337
   26    HZ   PHE   4           HZ       PHE   4 -19.066   3.179  -7.645
   27    H    ARG   5           H        ARG   5 -15.609   2.376  -4.392
   28    HA   ARG   5           HA       ARG   5 -12.891   2.988  -5.129
   29   1HB   ARG   5          2HB       ARG   5 -14.938   4.193  -5.863
   30   2HB   ARG   5          1HB       ARG   5 -15.071   4.898  -4.254
   31   1HG   ARG   5          2HG       ARG   5 -13.342   6.330  -4.539
   32   2HG   ARG   5          1HG       ARG   5 -12.404   5.198  -5.490
   33   1HD   ARG   5          2HD       ARG   5 -13.563   7.430  -6.600
   34   2HD   ARG   5          1HD       ARG   5 -13.226   5.967  -7.503
   35    HE   ARG   5           HE       ARG   5 -15.514   5.415  -7.499
   36   1HH1  ARG   5          2HH1      ARG   5 -14.877   8.187  -5.508
   37   2HH1  ARG   5          1HH1      ARG   5 -16.549   8.609  -5.369
   38   1HH2  ARG   5          1HH2      ARG   5 -17.637   5.931  -7.321
   39   2HH2  ARG   5          2HH2      ARG   5 -18.136   7.318  -6.410
   40    H    HIS   6           H        HIS   6 -13.969   2.207  -2.373
   41    HA   HIS   6           HA       HIS   6 -12.789   4.066  -0.501
   42   1HB   HIS   6          2HB       HIS   6 -13.849   1.225  -0.151
   43   2HB   HIS   6          1HB       HIS   6 -13.348   2.247   1.187
   44    HD1  HIS   6           HD1      HIS   6 -15.848   2.203   1.979
   45    HD2  HIS   6           HD2      HIS   6 -15.396   4.072  -1.622
   46    HE1  HIS   6           HE1      HIS   6 -17.945   3.433   1.562
   47    H    ASP   7           H        ASP   7 -11.966   0.853  -1.724
   48    HA   ASP   7           HA       ASP   7  -9.174   1.285  -1.765
   49   1HB   ASP   7          2HB       ASP   7  -8.553  -0.287   0.185
   50   2HB   ASP   7          1HB       ASP   7  -9.265   1.223   0.713
   51    H    SER   8           H        SER   8 -11.386   0.013  -3.182
   52    HA   SER   8           HA       SER   8  -9.955  -2.283  -4.238
   53   1HB   SER   8          2HB       SER   8 -11.236  -3.191  -2.157
   54   2HB   SER   8          1HB       SER   8 -12.730  -2.830  -3.035
   55    HG   SER   8           HG       SER   8 -12.357  -4.523  -4.195
   56    H    GLY   9           H        GLY   9 -10.600   0.083  -5.336
   57   1HA   GLY   9          2HA       GLY   9 -12.467  -0.665  -7.526
   58   2HA   GLY   9          1HA       GLY   9 -12.759   0.854  -6.672
   59    H    TYR  10           H        TYR  10 -10.149   1.617  -6.206
   60    HA   TYR  10           HA       TYR  10  -8.673   1.700  -8.711
   61   1HB   TYR  10          2HB       TYR  10  -9.057   3.968  -9.254
   62   2HB   TYR  10          1HB       TYR  10 -10.632   3.539  -8.624
   63    HD1  TYR  10           HD2      TYR  10 -10.200   3.612  -5.669
   64    HD2  TYR  10           HD1      TYR  10  -8.743   6.214  -8.717
   65    HE1  TYR  10           HE2      TYR  10 -10.004   5.421  -4.041
   66    HE2  TYR  10           HE1      TYR  10  -8.556   8.018  -7.080
   67    HH   TYR  10           HH       TYR  10  -8.678   7.521  -3.770
   68    H    GLU  11           H        GLU  11  -7.000   3.820  -8.130
   69    HA   GLU  11           HA       GLU  11  -6.015   3.660  -5.395
   70   1HB   GLU  11          2HB       GLU  11  -3.831   2.593  -6.023
   71   2HB   GLU  11          1HB       GLU  11  -5.145   1.505  -6.391
   72   1HG   GLU  11          2HG       GLU  11  -4.404   3.403  -8.614
   73   2HG   GLU  11          1HG       GLU  11  -3.210   2.197  -8.240
   74    H    VAL  12           H        VAL  12  -6.777   5.500  -7.495
   75    HA   VAL  12           HA       VAL  12  -6.335   7.736  -7.975
   76    HB   VAL  12           HB       VAL  12  -3.816   7.340  -6.364
   77   1HG1  VAL  12          2HG1      VAL  12  -3.860   9.470  -7.717
   78   2HG1  VAL  12          1HG1      VAL  12  -5.394   9.897  -6.983
   79   3HG1  VAL  12          3HG1      VAL  12  -3.936   9.830  -6.008
   80   1HG2  VAL  12          3HG2      VAL  12  -6.625   7.928  -5.493
   81   2HG2  VAL  12          2HG2      VAL  12  -5.448   6.816  -4.797
   82   3HG2  VAL  12          1HG2      VAL  12  -5.279   8.545  -4.547
   83    H    HIS  13           H        HIS  13  -3.704   5.490  -8.273
   84    HA   HIS  13           HA       HIS  13  -2.265   4.955  -9.967
   85   1HB   HIS  13          2HB       HIS  13  -3.621   7.212 -11.597
   86   2HB   HIS  13          1HB       HIS  13  -2.594   5.942 -12.214
   87    HD1  HIS  13           HD1      HIS  13  -4.331   4.738 -13.562
   88    HD2  HIS  13           HD2      HIS  13  -5.611   5.148  -9.700
   89    HE1  HIS  13           HE1      HIS  13  -6.366   3.365 -13.347
   90    H    HIS  14           H        HIS  14  -1.765   6.605  -7.856
   91    HA   HIS  14           HA       HIS  14   0.496   8.225  -8.811
   92   1HB   HIS  14          2HB       HIS  14  -1.716   9.105  -6.931
   93   2HB   HIS  14          1HB       HIS  14  -0.104   9.787  -6.750
   94    HD1  HIS  14           HD1      HIS  14   0.331  11.722  -8.309
   95    HD2  HIS  14           HD2      HIS  14  -2.722   9.397  -9.641
   96    HE1  HIS  14           HE1      HIS  14  -0.572  12.869 -10.301
   97    H    GLN  15           H        GLN  15  -0.909   7.738  -5.663
   98    HA   GLN  15           HA       GLN  15   1.428   7.101  -4.234
   99   1HB   GLN  15          2HB       GLN  15  -1.456   6.236  -3.722
  100   2HB   GLN  15          1HB       GLN  15  -0.168   6.054  -2.550
  101   1HG   GLN  15          2HG       GLN  15  -1.095   8.097  -1.880
  102   2HG   GLN  15          1HG       GLN  15   0.217   8.642  -2.910
  103   1HE2  GLN  15          2HE2      GLN  15  -1.985  10.341  -5.032
  104   2HE2  GLN  15          1HE2      GLN  15  -0.427  10.194  -4.373
  105    H    GLU  16           H        GLU  16  -0.863   4.852  -5.676
  106    HA   GLU  16           HA       GLU  16   0.292   2.445  -4.864
  107   1HB   GLU  16          2HB       GLU  16  -1.763   2.600  -6.231
  108   2HB   GLU  16          1HB       GLU  16  -0.798   3.001  -7.643
  109   1HG   GLU  16          2HG       GLU  16   0.324   0.861  -7.603
  110   2HG   GLU  16          1HG       GLU  16  -0.258   0.495  -5.991
  111    H    LEU  17           H        LEU  17   1.359   4.625  -7.354
  112    HA   LEU  17           HA       LEU  17   3.460   2.853  -8.243
  113   1HB   LEU  17          2HB       LEU  17   3.530   5.787  -8.983
  114   2HB   LEU  17          1HB       LEU  17   3.828   4.403 -10.012
  115    HG   LEU  17           HG       LEU  17   1.120   5.267  -8.979
  116   1HD1  LEU  17          1HD1      LEU  17   2.519   5.646 -11.658
  117   2HD1  LEU  17          3HD1      LEU  17   0.780   5.811 -11.490
  118   3HD1  LEU  17          2HD1      LEU  17   1.853   6.887 -10.609
  119   1HD2  LEU  17          2HD2      LEU  17   1.933   3.092 -10.984
  120   2HD2  LEU  17          1HD2      LEU  17   1.178   2.818  -9.424
  121   3HD2  LEU  17          3HD2      LEU  17   0.272   3.590 -10.708
  122    H    VAL  18           H        VAL  18   3.187   5.444  -6.058
  123    HA   VAL  18           HA       VAL  18   6.022   6.014  -5.872
  124    HB   VAL  18           HB       VAL  18   3.904   6.243  -3.683
  125   1HG1  VAL  18          1HG1      VAL  18   6.653   7.501  -4.102
  126   2HG1  VAL  18          3HG1      VAL  18   5.491   8.085  -2.913
  127   3HG1  VAL  18          2HG1      VAL  18   6.160   6.470  -2.774
  128   1HG2  VAL  18          3HG2      VAL  18   4.748   7.918  -6.051
  129   2HG2  VAL  18          2HG2      VAL  18   3.146   7.397  -5.576
  130   3HG2  VAL  18          1HG2      VAL  18   3.953   8.658  -4.656
  131    H    PHE  19           H        PHE  19   3.937   3.613  -4.704
  132    HA   PHE  19           HA       PHE  19   5.644   2.473  -2.686
  133   1HB   PHE  19          2HB       PHE  19   3.523   0.967  -4.270
  134   2HB   PHE  19          1HB       PHE  19   4.098   0.597  -2.660
  135    HD1  PHE  19           HD2      PHE  19   3.938   3.841  -2.014
  136    HD2  PHE  19           HD1      PHE  19   1.263   0.811  -3.350
  137    HE1  PHE  19           HE2      PHE  19   2.058   5.077  -1.040
  138    HE2  PHE  19           HE1      PHE  19  -0.622   2.050  -2.371
  139    HZ   PHE  19           HZ       PHE  19  -0.228   4.184  -1.219
  140    H    PHE  20           H        PHE  20   5.271   2.306  -6.041
  141    HA   PHE  20           HA       PHE  20   6.878  -0.124  -6.473
  142   1HB   PHE  20          2HB       PHE  20   5.121   0.496  -8.110
  143   2HB   PHE  20          1HB       PHE  20   5.882   2.039  -8.408
  144    HD1  PHE  20           HD2      PHE  20   8.306   2.051  -9.321
  145    HD2  PHE  20           HD1      PHE  20   5.824  -1.413  -9.387
  146    HE1  PHE  20           HE2      PHE  20   9.747   1.061 -11.020
  147    HE2  PHE  20           HE1      PHE  20   7.276  -2.407 -11.101
  148    HZ   PHE  20           HZ       PHE  20   9.239  -1.175 -11.922
  149    H    ALA  21           H        ALA  21   7.226   3.332  -6.894
  150    HA   ALA  21           HA       ALA  21   9.958   3.378  -7.658
  151   1HB   ALA  21          3HB       ALA  21   8.097   5.264  -7.712
  152   2HB   ALA  21          2HB       ALA  21   8.598   5.590  -6.066
  153   3HB   ALA  21          1HB       ALA  21   9.753   5.761  -7.382
  154    H    GLU  22           H        GLU  22   8.297   3.071  -4.660
  155    HA   GLU  22           HA       GLU  22  10.590   3.720  -3.046
  156   1HB   GLU  22          2HB       GLU  22   7.875   2.502  -2.554
  157   2HB   GLU  22          1HB       GLU  22   9.078   2.194  -1.323
  158   1HG   GLU  22          2HG       GLU  22   9.416   4.545  -0.903
  159   2HG   GLU  22          1HG       GLU  22   8.468   5.009  -2.306
  160    H    ASP  23           H        ASP  23   9.614   0.914  -4.689
  161    HA   ASP  23           HA       ASP  23  11.504  -0.826  -3.199
  162   1HB   ASP  23          2HB       ASP  23   9.207  -1.302  -5.095
  163   2HB   ASP  23          1HB       ASP  23  10.374  -2.580  -4.794
  164    H    VAL  24           H        VAL  24  10.869   0.246  -6.497
  165    HA   VAL  24           HA       VAL  24  13.472  -0.855  -7.395
  166    HB   VAL  24           HB       VAL  24  11.407   0.327  -9.264
  167   1HG1  VAL  24          3HG1      VAL  24  13.801  -0.619  -9.893
  168   2HG1  VAL  24          2HG1      VAL  24  13.055  -2.187  -9.672
  169   3HG1  VAL  24          1HG1      VAL  24  12.425  -1.078 -10.878
  170   1HG2  VAL  24          1HG2      VAL  24  11.207  -2.373  -7.875
  171   2HG2  VAL  24          3HG2      VAL  24   9.966  -1.137  -8.020
  172   3HG2  VAL  24          2HG2      VAL  24  10.444  -2.068  -9.425
  173    H    GLY  25           H        GLY  25  11.756   2.159  -6.963
  174   1HA   GLY  25          2HA       GLY  25  12.343   4.381  -7.470
  175   2HA   GLY  25          1HA       GLY  25  13.868   3.886  -6.749
  176    H    SER  26           H        SER  26  12.165   3.504  -9.847
  177    HA   SER  26           HA       SER  26  14.453   4.677 -11.301
  178   1HB   SER  26          2HB       SER  26  14.350   2.550 -12.891
  179   2HB   SER  26          1HB       SER  26  15.198   2.381 -11.348
  180    HG   SER  26           HG       SER  26  13.731   1.043 -10.750
  181    H    ASN  27           H        ASN  27  11.960   2.609 -12.600
  182    HA   ASN  27           HA       ASN  27  11.056   4.736 -14.405
  183   1HB   ASN  27          2HB       ASN  27   9.634   2.952 -15.387
  184   2HB   ASN  27          1HB       ASN  27  11.284   2.382 -15.188
  185   1HD2  ASN  27          2HD2      ASN  27   8.265   0.702 -13.023
  186   2HD2  ASN  27          1HD2      ASN  27   7.993   2.101 -13.940
  187    H    LYS  28           H        LYS  28  10.379   4.010 -11.308
  188    HA   LYS  28           HA       LYS  28   8.809   4.636  -9.774
  189   1HB   LYS  28          2HB       LYS  28   8.215   6.511 -12.082
  190   2HB   LYS  28          1HB       LYS  28   7.004   6.388 -10.840
  191   1HG   LYS  28          2HG       LYS  28   8.487   8.197 -10.255
  192   2HG   LYS  28          1HG       LYS  28   8.693   6.912  -9.099
  193   1HD   LYS  28          2HD       LYS  28  10.919   7.476  -9.549
  194   2HD   LYS  28          1HD       LYS  28  10.710   6.150 -10.663
  195   1HE   LYS  28          2HE       LYS  28  10.187   9.034 -11.505
  196   2HE   LYS  28          1HE       LYS  28  11.788   8.320 -11.584
  197   1HZ   LYS  28          1HZ       LYS  28  10.004   6.526 -12.739
  198   2HZ   LYS  28          3HZ       LYS  28   9.685   8.059 -13.396
  199   3HZ   LYS  28          2HZ       LYS  28  11.250   7.403 -13.485
   
  No H/Q in entry =         199
  Start of MODEL    7
    1   1H    ASP   1          1H        ASP   1 -15.703  -0.412 -12.126
    2   2H    ASP   1          3H        ASP   1 -17.333  -0.187 -11.710
    3   3H    ASP   1          2H        ASP   1 -16.390  -1.324 -10.872
    4    HA   ASP   1           HA       ASP   1 -17.967  -1.721 -13.136
    5   1HB   ASP   1          2HB       ASP   1 -15.078  -2.547 -13.686
    6   2HB   ASP   1          1HB       ASP   1 -16.433  -2.534 -14.794
    7    H    ALA   2           H        ALA   2 -18.875  -3.592 -12.545
    8    HA   ALA   2           HA       ALA   2 -19.295  -5.516 -11.270
    9   1HB   ALA   2          1HB       ALA   2 -18.061  -6.279 -13.347
   10   2HB   ALA   2          3HB       ALA   2 -16.574  -6.276 -12.413
   11   3HB   ALA   2          2HB       ALA   2 -17.875  -7.376 -11.989
   12    H    GLU   3           H        GLU   3 -18.046  -3.504  -9.746
   13    HA   GLU   3           HA       GLU   3 -16.942  -3.034  -7.804
   14   1HB   GLU   3          2HB       GLU   3 -17.932  -4.194  -6.031
   15   2HB   GLU   3          1HB       GLU   3 -18.944  -4.767  -7.317
   16   1HG   GLU   3          2HG       GLU   3 -18.501  -6.828  -6.415
   17   2HG   GLU   3          1HG       GLU   3 -17.062  -6.755  -7.398
   18    H    PHE   4           H        PHE   4 -15.393  -4.527  -9.834
   19    HA   PHE   4           HA       PHE   4 -13.451  -6.169  -8.514
   20   1HB   PHE   4          2HB       PHE   4 -13.640  -6.332 -10.930
   21   2HB   PHE   4          1HB       PHE   4 -13.385  -4.610 -11.141
   22    HD1  PHE   4           HD1      PHE   4 -11.731  -7.742  -9.980
   23    HD2  PHE   4           HD2      PHE   4 -11.158  -3.729 -11.304
   24    HE1  PHE   4           HE1      PHE   4  -9.310  -8.127 -10.117
   25    HE2  PHE   4           HE2      PHE   4  -8.741  -4.120 -11.440
   26    HZ   PHE   4           HZ       PHE   4  -7.813  -6.318 -10.844
   27    H    ARG   5           H        ARG   5 -13.821  -2.818  -9.212
   28    HA   ARG   5           HA       ARG   5 -11.272  -2.077  -7.953
   29   1HB   ARG   5          2HB       ARG   5 -12.464   0.362  -8.548
   30   2HB   ARG   5          1HB       ARG   5 -11.478  -0.519  -9.670
   31   1HG   ARG   5          2HG       ARG   5 -14.462  -1.063  -9.536
   32   2HG   ARG   5          1HG       ARG   5 -13.860   0.337 -10.390
   33   1HD   ARG   5          2HD       ARG   5 -13.003  -2.537 -10.981
   34   2HD   ARG   5          1HD       ARG   5 -14.123  -1.588 -11.937
   35    HE   ARG   5           HE       ARG   5 -11.696  -0.124 -11.664
   36   1HH1  ARG   5          1HH2      ARG   5 -12.996  -2.978 -13.145
   37   2HH1  ARG   5          2HH2      ARG   5 -11.869  -2.942 -14.460
   38   1HH2  ARG   5          2HH1      ARG   5 -10.257  -0.071 -13.320
   39   2HH2  ARG   5          1HH1      ARG   5 -10.301  -1.273 -14.566
   40    H    HIS   6           H        HIS   6 -13.630  -3.170  -6.565
   41    HA   HIS   6           HA       HIS   6 -13.939  -1.101  -4.458
   42   1HB   HIS   6          2HB       HIS   6 -15.928  -3.224  -5.377
   43   2HB   HIS   6          1HB       HIS   6 -16.115  -2.328  -3.882
   44    HD1  HIS   6           HD1      HIS   6 -17.601  -0.381  -4.293
   45    HD2  HIS   6           HD2      HIS   6 -15.347  -1.119  -7.606
   46    HE1  HIS   6           HE1      HIS   6 -18.237   1.329  -5.956
   47    H    ASP   7           H        ASP   7 -13.961  -4.619  -4.963
   48    HA   ASP   7           HA       ASP   7 -12.497  -4.904  -2.409
   49   1HB   ASP   7          2HB       ASP   7 -15.108  -5.516  -2.509
   50   2HB   ASP   7          1HB       ASP   7 -14.515  -7.017  -3.196
   51    H    SER   8           H        SER   8 -11.400  -4.884  -5.011
   52    HA   SER   8           HA       SER   8  -9.617  -7.099  -4.861
   53   1HB   SER   8          2HB       SER   8 -10.468  -8.164  -7.187
   54   2HB   SER   8          1HB       SER   8 -11.332  -8.604  -5.716
   55    HG   SER   8           HG       SER   8 -12.985  -7.589  -6.453
   56    H    GLY   9           H        GLY   9  -9.591  -4.290  -5.222
   57   1HA   GLY   9          2HA       GLY   9  -7.439  -3.863  -6.921
   58   2HA   GLY   9          1HA       GLY   9  -8.848  -3.627  -7.954
   59    H    TYR  10           H        TYR  10  -7.379  -2.591  -4.932
   60    HA   TYR  10           HA       TYR  10  -8.927  -0.470  -4.112
   61   1HB   TYR  10          2HB       TYR  10  -6.992   0.387  -3.004
   62   2HB   TYR  10          1HB       TYR  10  -6.713  -1.346  -3.123
   63    HD1  TYR  10           HD2      TYR  10  -5.383  -2.087  -5.356
   64    HD2  TYR  10           HD1      TYR  10  -5.251   1.799  -3.610
   65    HE1  TYR  10           HE2      TYR  10  -3.263  -1.642  -6.492
   66    HE2  TYR  10           HE1      TYR  10  -3.129   2.234  -4.750
   67    HH   TYR  10           HH       TYR  10  -1.836   0.058  -7.139
   68    H    GLU  11           H        GLU  11  -6.604  -0.468  -6.630
   69    HA   GLU  11           HA       GLU  11  -5.843   1.035  -8.124
   70   1HB   GLU  11          2HB       GLU  11  -8.881   1.008  -8.433
   71   2HB   GLU  11          1HB       GLU  11  -7.880   1.832  -9.614
   72   1HG   GLU  11          2HG       GLU  11  -6.848  -0.162 -10.351
   73   2HG   GLU  11          1HG       GLU  11  -7.235  -1.037  -8.880
   74    H    VAL  12           H        VAL  12  -4.832   2.693  -7.679
   75    HA   VAL  12           HA       VAL  12  -6.225   5.281  -7.133
   76    HB   VAL  12           HB       VAL  12  -3.755   4.028  -5.873
   77   1HG1  VAL  12          1HG1      VAL  12  -4.244   6.896  -6.316
   78   2HG1  VAL  12          3HG1      VAL  12  -4.201   6.551  -4.601
   79   3HG1  VAL  12          2HG1      VAL  12  -2.844   6.106  -5.609
   80   1HG2  VAL  12          2HG2      VAL  12  -5.987   3.489  -4.923
   81   2HG2  VAL  12          1HG2      VAL  12  -4.969   4.362  -3.784
   82   3HG2  VAL  12          3HG2      VAL  12  -6.261   5.201  -4.642
   83    H    HIS  13           H        HIS  13  -3.064   3.979  -7.830
   84    HA   HIS  13           HA       HIS  13  -1.652   4.190  -9.667
   85   1HB   HIS  13          2HB       HIS  13  -3.630   6.169 -10.903
   86   2HB   HIS  13          1HB       HIS  13  -2.356   5.278 -11.702
   87    HD1  HIS  13           HD1      HIS  13  -4.901   4.705 -12.905
   88    HD2  HIS  13           HD2      HIS  13  -3.834   2.585  -9.580
   89    HE1  HIS  13           HE1      HIS  13  -6.257   2.647 -12.922
   90    H    HIS  14           H        HIS  14  -2.274   6.296  -7.365
   91    HA   HIS  14           HA       HIS  14  -0.465   8.439  -8.311
   92   1HB   HIS  14          2HB       HIS  14  -2.433   8.341  -5.960
   93   2HB   HIS  14          1HB       HIS  14  -1.242   9.618  -6.143
   94    HD1  HIS  14           HD1      HIS  14  -2.244  11.550  -7.394
   95    HD2  HIS  14           HD2      HIS  14  -3.930   8.037  -8.542
   96    HE1  HIS  14           HE1      HIS  14  -3.953  12.137  -9.079
   97    H    GLN  15           H        GLN  15  -1.222   7.134  -5.169
   98    HA   GLN  15           HA       GLN  15   1.473   7.048  -4.211
   99   1HB   GLN  15          2HB       GLN  15  -1.158   5.851  -3.272
  100   2HB   GLN  15          1HB       GLN  15   0.326   5.377  -2.471
  101   1HG   GLN  15          2HG       GLN  15  -0.641   7.247  -1.267
  102   2HG   GLN  15          1HG       GLN  15   0.850   7.775  -2.038
  103   1HE2  GLN  15          2HE2      GLN  15  -2.718   9.037  -3.698
  104   2HE2  GLN  15          1HE2      GLN  15  -2.645   7.516  -2.949
  105    H    GLU  16           H        GLU  16  -0.335   5.037  -6.205
  106    HA   GLU  16           HA       GLU  16   0.844   2.525  -5.708
  107   1HB   GLU  16          2HB       GLU  16  -1.167   2.798  -7.101
  108   2HB   GLU  16          1HB       GLU  16  -0.257   3.796  -8.218
  109   1HG   GLU  16          2HG       GLU  16   1.209   1.871  -8.777
  110   2HG   GLU  16          1HG       GLU  16   0.282   0.857  -7.689
  111    H    LEU  17           H        LEU  17   1.718   5.041  -7.962
  112    HA   LEU  17           HA       LEU  17   4.030   3.627  -8.893
  113   1HB   LEU  17          2HB       LEU  17   4.059   6.620  -9.186
  114   2HB   LEU  17          1HB       LEU  17   4.344   5.403 -10.409
  115    HG   LEU  17           HG       LEU  17   1.631   6.127  -9.271
  116   1HD1  LEU  17          1HD1      LEU  17   2.982   6.935 -11.881
  117   2HD1  LEU  17          3HD1      LEU  17   1.278   7.199 -11.548
  118   3HD1  LEU  17          2HD1      LEU  17   2.496   8.001 -10.573
  119   1HD2  LEU  17          1HD2      LEU  17   2.403   4.383 -11.669
  120   2HD2  LEU  17          3HD2      LEU  17   1.712   3.790 -10.169
  121   3HD2  LEU  17          2HD2      LEU  17   0.754   4.800 -11.232
  122    H    VAL  18           H        VAL  18   3.363   5.526  -6.280
  123    HA   VAL  18           HA       VAL  18   6.042   6.442  -5.666
  124    HB   VAL  18           HB       VAL  18   3.476   6.257  -4.067
  125   1HG1  VAL  18          1HG1      VAL  18   6.167   7.340  -3.250
  126   2HG1  VAL  18          3HG1      VAL  18   4.657   7.891  -2.515
  127   3HG1  VAL  18          2HG1      VAL  18   5.126   6.205  -2.405
  128   1HG2  VAL  18          1HG2      VAL  18   3.515   7.683  -6.028
  129   2HG2  VAL  18          3HG2      VAL  18   3.406   8.637  -4.554
  130   3HG2  VAL  18          2HG2      VAL  18   4.949   8.496  -5.425
  131    H    PHE  19           H        PHE  19   3.969   3.864  -4.639
  132    HA   PHE  19           HA       PHE  19   5.908   2.856  -2.751
  133   1HB   PHE  19          2HB       PHE  19   4.244   1.247  -2.204
  134   2HB   PHE  19          1HB       PHE  19   3.440   2.758  -2.500
  135    HD1  PHE  19           HD1      PHE  19   4.320   0.256  -5.216
  136    HD2  PHE  19           HD2      PHE  19   1.344   2.058  -2.761
  137    HE1  PHE  19           HE1      PHE  19   2.591  -0.907  -6.476
  138    HE2  PHE  19           HE2      PHE  19  -0.405   0.867  -4.027
  139    HZ   PHE  19           HZ       PHE  19   0.227  -0.613  -5.894
  140    H    PHE  20           H        PHE  20   5.219   2.622  -6.023
  141    HA   PHE  20           HA       PHE  20   6.568   0.070  -6.552
  142   1HB   PHE  20          2HB       PHE  20   4.799   0.769  -8.114
  143   2HB   PHE  20          1HB       PHE  20   5.555   2.340  -8.324
  144    HD1  PHE  20           HD2      PHE  20   6.092  -1.304  -8.934
  145    HD2  PHE  20           HD1      PHE  20   7.237   2.669  -9.975
  146    HE1  PHE  20           HE2      PHE  20   7.426  -2.174 -10.800
  147    HE2  PHE  20           HE1      PHE  20   8.568   1.794 -11.839
  148    HZ   PHE  20           HZ       PHE  20   8.667  -0.628 -12.257
  149    H    ALA  21           H        ALA  21   7.141   3.528  -6.753
  150    HA   ALA  21           HA       ALA  21   9.821   3.369  -7.771
  151   1HB   ALA  21          3HB       ALA  21   8.314   5.542  -6.233
  152   2HB   ALA  21          2HB       ALA  21   9.905   5.795  -6.938
  153   3HB   ALA  21          1HB       ALA  21   8.524   5.466  -7.976
  154    H    GLU  22           H        GLU  22   8.310   3.354  -4.665
  155    HA   GLU  22           HA       GLU  22  10.743   3.618  -3.139
  156   1HB   GLU  22          2HB       GLU  22   8.932   4.129  -1.786
  157   2HB   GLU  22          1HB       GLU  22   7.870   3.050  -2.640
  158   1HG   GLU  22          2HG       GLU  22   9.937   1.802  -0.819
  159   2HG   GLU  22          1HG       GLU  22   8.557   2.599  -0.104
  160    H    ASP  23           H        ASP  23   9.087   1.027  -4.680
  161    HA   ASP  23           HA       ASP  23  10.490  -1.144  -3.338
  162   1HB   ASP  23          2HB       ASP  23   8.360  -1.770  -4.105
  163   2HB   ASP  23          1HB       ASP  23   8.509  -0.890  -5.608
  164    H    VAL  24           H        VAL  24  10.584   0.157  -6.650
  165    HA   VAL  24           HA       VAL  24  13.002  -1.334  -7.310
  166    HB   VAL  24           HB       VAL  24  11.844   0.992  -8.894
  167   1HG1  VAL  24          1HG1      VAL  24  14.029  -0.095  -9.662
  168   2HG1  VAL  24          3HG1      VAL  24  13.180  -1.621  -9.774
  169   3HG1  VAL  24          2HG1      VAL  24  12.733  -0.288 -10.824
  170   1HG2  VAL  24          2HG2      VAL  24  10.890  -1.915  -8.902
  171   2HG2  VAL  24          1HG2      VAL  24   9.931  -0.539  -8.401
  172   3HG2  VAL  24          3HG2      VAL  24  10.403  -0.706 -10.075
  173    H    GLY  25           H        GLY  25  12.466   1.368  -5.511
  174   1HA   GLY  25          2HA       GLY  25  13.835   3.062  -4.659
  175   2HA   GLY  25          1HA       GLY  25  15.193   2.040  -5.124
  176    H    SER  26           H        SER  26  12.852   4.277  -6.380
  177    HA   SER  26           HA       SER  26  12.827   5.798  -8.151
  178   1HB   SER  26          2HB       SER  26  14.703   7.390  -8.075
  179   2HB   SER  26          1HB       SER  26  14.511   6.791  -6.425
  180    HG   SER  26           HG       SER  26  16.414   5.975  -6.577
  181    H    ASN  27           H        ASN  27  13.310   3.136  -8.840
  182    HA   ASN  27           HA       ASN  27  13.864   1.788 -10.635
  183   1HB   ASN  27          2HB       ASN  27  12.725   3.843 -11.772
  184   2HB   ASN  27          1HB       ASN  27  14.342   4.347 -12.238
  185   1HD2  ASN  27          2HD2      ASN  27  12.744   0.938 -13.888
  186   2HD2  ASN  27          1HD2      ASN  27  12.140   1.512 -12.409
  187    H    LYS  28           H        LYS  28  15.815   1.641  -9.063
  188    HA   LYS  28           HA       LYS  28  18.336   2.690 -10.039
  189   1HB   LYS  28          2HB       LYS  28  17.388   1.560  -7.611
  190   2HB   LYS  28          1HB       LYS  28  18.546   0.392  -8.197
  191   1HG   LYS  28          2HG       LYS  28  19.871   1.880  -6.931
  192   2HG   LYS  28          1HG       LYS  28  20.146   2.392  -8.580
  193   1HD   LYS  28          2HD       LYS  28  19.679   4.467  -7.634
  194   2HD   LYS  28          1HD       LYS  28  18.052   4.015  -8.086
  195   1HE   LYS  28          2HE       LYS  28  17.908   4.729  -5.795
  196   2HE   LYS  28          1HE       LYS  28  17.846   2.976  -5.713
  197   1HZ   LYS  28          3HZ       LYS  28  20.527   3.774  -5.679
  198   2HZ   LYS  28          2HZ       LYS  28  19.682   4.694  -4.529
  199   3HZ   LYS  28          1HZ       LYS  28  19.633   2.998  -4.462
   
  No H/Q in entry =         199
  Start of MODEL    8
    1   1H    ASP   1          2H        ASP   1 -19.297   3.585   0.736
    2   2H    ASP   1          1H        ASP   1 -18.169   4.845   0.882
    3   3H    ASP   1          3H        ASP   1 -19.545   5.048  -0.092
    4    HA   ASP   1           HA       ASP   1 -18.484   4.280  -1.837
    5   1HB   ASP   1          2HB       ASP   1 -16.170   3.719   0.080
    6   2HB   ASP   1          1HB       ASP   1 -16.038   3.789  -1.669
    7    H    ALA   2           H        ALA   2 -17.524   2.362  -2.881
    8    HA   ALA   2           HA       ALA   2 -18.711  -0.103  -1.752
    9   1HB   ALA   2          2HB       ALA   2 -19.181   0.540  -4.160
   10   2HB   ALA   2          1HB       ALA   2 -17.462   0.428  -4.500
   11   3HB   ALA   2          3HB       ALA   2 -18.366  -1.013  -4.059
   12    H    GLU   3           H        GLU   3 -15.759   1.379  -2.333
   13    HA   GLU   3           HA       GLU   3 -13.549   0.656  -2.317
   14   1HB   GLU   3          2HB       GLU   3 -13.007   0.272   0.054
   15   2HB   GLU   3          1HB       GLU   3 -14.335   1.407  -0.082
   16   1HG   GLU   3          2HG       GLU   3 -15.092  -1.492   0.211
   17   2HG   GLU   3          1HG       GLU   3 -14.371  -0.738   1.611
   18    H    PHE   4           H        PHE   4 -15.035  -1.301  -3.553
   19    HA   PHE   4           HA       PHE   4 -14.127  -3.968  -2.783
   20   1HB   PHE   4          2HB       PHE   4 -14.986  -4.498  -5.181
   21   2HB   PHE   4          1HB       PHE   4 -16.153  -3.951  -4.008
   22    HD1  PHE   4           HD2      PHE   4 -14.056  -1.210  -5.312
   23    HD2  PHE   4           HD1      PHE   4 -17.545  -3.556  -6.042
   24    HE1  PHE   4           HE2      PHE   4 -14.866   0.479  -6.860
   25    HE2  PHE   4           HE1      PHE   4 -18.351  -1.845  -7.595
   26    HZ   PHE   4           HZ       PHE   4 -17.017   0.177  -8.010
   27    H    ARG   5           H        ARG   5 -12.219  -1.591  -3.504
   28    HA   ARG   5           HA       ARG   5 -10.099  -1.406  -4.503
   29   1HB   ARG   5          2HB       ARG   5 -10.266  -4.410  -4.354
   30   2HB   ARG   5          1HB       ARG   5  -8.798  -3.478  -4.593
   31   1HG   ARG   5          2HG       ARG   5 -10.077  -2.320  -2.334
   32   2HG   ARG   5          1HG       ARG   5 -10.339  -4.038  -2.146
   33   1HD   ARG   5          2HD       ARG   5  -7.703  -2.523  -2.303
   34   2HD   ARG   5          1HD       ARG   5  -8.214  -3.638  -1.048
   35    HE   ARG   5           HE       ARG   5  -7.069  -4.322  -3.665
   36   1HH1  ARG   5          2HH1      ARG   5  -8.771  -5.422  -0.850
   37   2HH1  ARG   5          1HH1      ARG   5  -8.344  -7.081  -1.098
   38   1HH2  ARG   5          1HH2      ARG   5  -6.521  -6.430  -4.000
   39   2HH2  ARG   5          2HH2      ARG   5  -7.055  -7.660  -2.904
   40    H    HIS   6           H        HIS   6 -12.500  -1.645  -5.909
   41    HA   HIS   6           HA       HIS   6 -13.416  -1.688  -8.042
   42   1HB   HIS   6          2HB       HIS   6 -10.466  -1.194  -8.684
   43   2HB   HIS   6          1HB       HIS   6 -11.740  -1.075  -9.884
   44    HD1  HIS   6           HD1      HIS   6 -12.367   1.300 -10.111
   45    HD2  HIS   6           HD2      HIS   6 -11.480   0.484  -6.212
   46    HE1  HIS   6           HE1      HIS   6 -12.732   3.397  -8.862
   47    H    ASP   7           H        ASP   7 -12.175  -4.180  -6.813
   48    HA   ASP   7           HA       ASP   7 -12.950  -6.362  -7.761
   49   1HB   ASP   7          2HB       ASP   7 -11.954  -7.153  -9.802
   50   2HB   ASP   7          1HB       ASP   7 -12.715  -5.628 -10.160
   51    H    SER   8           H        SER   8 -11.158  -5.427  -5.800
   52    HA   SER   8           HA       SER   8  -9.386  -6.164  -4.447
   53   1HB   SER   8          2HB       SER   8  -9.199  -8.518  -4.243
   54   2HB   SER   8          1HB       SER   8 -10.729  -8.412  -5.106
   55    HG   SER   8           HG       SER   8  -8.415  -9.488  -5.897
   56    H    GLY   9           H        GLY   9  -8.861  -4.714  -6.822
   57   1HA   GLY   9          2HA       GLY   9  -5.995  -4.844  -6.974
   58   2HA   GLY   9          1HA       GLY   9  -6.748  -5.456  -8.465
   59    H    TYR  10           H        TYR  10  -7.040  -2.838  -6.123
   60    HA   TYR  10           HA       TYR  10  -8.465  -1.032  -7.784
   61   1HB   TYR  10          2HB       TYR  10  -8.380   0.401  -5.964
   62   2HB   TYR  10          1HB       TYR  10  -8.059  -1.127  -5.168
   63    HD1  TYR  10           HD2      TYR  10  -5.264  -1.696  -5.510
   64    HD2  TYR  10           HD1      TYR  10  -7.128   2.101  -5.006
   65    HE1  TYR  10           HE2      TYR  10  -3.177  -0.783  -4.624
   66    HE2  TYR  10           HE1      TYR  10  -5.039   3.008  -4.120
   67    HH   TYR  10           HH       TYR  10  -2.305   2.080  -4.540
   68    H    GLU  11           H        GLU  11  -7.762   1.122  -8.287
   69    HA   GLU  11           HA       GLU  11  -4.979   1.340  -9.300
   70   1HB   GLU  11          2HB       GLU  11  -5.754   2.073 -11.485
   71   2HB   GLU  11          1HB       GLU  11  -6.526   0.544 -11.144
   72   1HG   GLU  11          2HG       GLU  11  -7.816   3.291 -10.816
   73   2HG   GLU  11          1HG       GLU  11  -8.110   2.170 -12.126
   74    H    VAL  12           H        VAL  12  -4.144   3.231  -9.138
   75    HA   VAL  12           HA       VAL  12  -5.637   5.708  -8.659
   76    HB   VAL  12           HB       VAL  12  -3.857   4.389  -6.552
   77   1HG1  VAL  12          2HG1      VAL  12  -4.522   7.312  -6.969
   78   2HG1  VAL  12          1HG1      VAL  12  -4.429   6.718  -5.322
   79   3HG1  VAL  12          3HG1      VAL  12  -3.041   6.574  -6.379
   80   1HG2  VAL  12          3HG2      VAL  12  -6.704   5.399  -6.533
   81   2HG2  VAL  12          2HG2      VAL  12  -6.125   3.757  -6.275
   82   3HG2  VAL  12          1HG2      VAL  12  -5.823   4.988  -5.064
   83    H    HIS  13           H        HIS  13  -2.534   4.271  -8.150
   84    HA   HIS  13           HA       HIS  13  -0.448   4.534  -9.138
   85   1HB   HIS  13          2HB       HIS  13  -1.732   6.475 -11.110
   86   2HB   HIS  13          1HB       HIS  13  -0.272   5.531 -11.323
   87    HD1  HIS  13           HD1      HIS  13  -2.316   5.025 -13.367
   88    HD2  HIS  13           HD2      HIS  13  -2.390   2.882  -9.889
   89    HE1  HIS  13           HE1      HIS  13  -3.588   2.966 -13.839
   90    H    HIS  14           H        HIS  14  -2.249   7.213  -7.999
   91    HA   HIS  14           HA       HIS  14  -0.369   9.317  -8.146
   92   1HB   HIS  14          2HB       HIS  14  -2.598   8.680  -6.195
   93   2HB   HIS  14          1HB       HIS  14  -1.535  10.040  -5.881
   94    HD1  HIS  14           HD1      HIS  14  -2.312  12.124  -7.009
   95    HD2  HIS  14           HD2      HIS  14  -3.690   8.851  -9.003
   96    HE1  HIS  14           HE1      HIS  14  -3.731  12.979  -8.838
   97    H    GLN  15           H        GLN  15  -0.870   6.831  -5.807
   98    HA   GLN  15           HA       GLN  15   1.882   7.164  -4.666
   99   1HB   GLN  15          2HB       GLN  15  -0.044   5.923  -2.799
  100   2HB   GLN  15          1HB       GLN  15   1.072   7.226  -2.495
  101   1HG   GLN  15          2HG       GLN  15  -0.987   8.268  -2.123
  102   2HG   GLN  15          1HG       GLN  15  -0.740   8.695  -3.805
  103   1HE2  GLN  15          2HE2      GLN  15  -4.160   7.224  -3.339
  104   2HE2  GLN  15          1HE2      GLN  15  -3.318   8.518  -2.628
  105    H    GLU  16           H        GLU  16  -0.773   5.231  -5.636
  106    HA   GLU  16           HA       GLU  16  -0.005   2.690  -4.856
  107   1HB   GLU  16          2HB       GLU  16  -2.089   3.324  -6.102
  108   2HB   GLU  16          1HB       GLU  16  -1.119   3.416  -7.564
  109   1HG   GLU  16          2HG       GLU  16  -0.471   1.088  -7.380
  110   2HG   GLU  16          1HG       GLU  16  -1.355   0.917  -5.875
  111    H    LEU  17           H        LEU  17   1.005   4.450  -7.783
  112    HA   LEU  17           HA       LEU  17   2.876   2.332  -8.443
  113   1HB   LEU  17          2HB       LEU  17   3.013   3.366 -10.539
  114   2HB   LEU  17          1HB       LEU  17   1.580   4.192  -9.994
  115    HG   LEU  17           HG       LEU  17   3.262   5.898  -8.964
  116   1HD1  LEU  17          2HD1      LEU  17   5.104   4.163 -10.429
  117   2HD1  LEU  17          1HD1      LEU  17   5.172   5.771 -11.117
  118   3HD1  LEU  17          3HD1      LEU  17   5.482   5.540  -9.411
  119   1HD2  LEU  17          2HD2      LEU  17   1.666   6.341 -10.903
  120   2HD2  LEU  17          1HD2      LEU  17   3.159   7.246 -11.044
  121   3HD2  LEU  17          3HD2      LEU  17   2.914   5.796 -12.003
  122    H    VAL  18           H        VAL  18   2.960   5.119  -6.547
  123    HA   VAL  18           HA       VAL  18   5.816   5.566  -6.687
  124    HB   VAL  18           HB       VAL  18   3.832   6.271  -4.479
  125   1HG1  VAL  18          1HG1      VAL  18   6.654   7.181  -5.136
  126   2HG1  VAL  18          3HG1      VAL  18   5.566   8.154  -4.150
  127   3HG1  VAL  18          2HG1      VAL  18   6.040   6.551  -3.617
  128   1HG2  VAL  18          1HG2      VAL  18   4.716   7.609  -7.066
  129   2HG2  VAL  18          3HG2      VAL  18   3.094   7.101  -6.638
  130   3HG2  VAL  18          2HG2      VAL  18   3.829   8.467  -5.803
  131    H    PHE  19           H        PHE  19   3.771   3.300  -5.221
  132    HA   PHE  19           HA       PHE  19   5.519   2.516  -3.051
  133   1HB   PHE  19          2HB       PHE  19   3.389   0.845  -4.480
  134   2HB   PHE  19          1HB       PHE  19   4.068   0.502  -2.902
  135    HD1  PHE  19           HD2      PHE  19   3.976   3.654  -2.142
  136    HD2  PHE  19           HD1      PHE  19   1.143   0.799  -3.552
  137    HE1  PHE  19           HE2      PHE  19   2.173   4.918  -1.071
  138    HE2  PHE  19           HE1      PHE  19  -0.661   2.070  -2.471
  139    HZ   PHE  19           HZ       PHE  19  -0.152   4.130  -1.234
  140    H    PHE  20           H        PHE  20   5.199   1.994  -6.379
  141    HA   PHE  20           HA       PHE  20   6.954  -0.375  -6.533
  142   1HB   PHE  20          2HB       PHE  20   5.088   0.087  -8.213
  143   2HB   PHE  20          1HB       PHE  20   6.008   1.467  -8.790
  144    HD1  PHE  20           HD1      PHE  20   6.104  -2.228  -8.407
  145    HD2  PHE  20           HD2      PHE  20   7.953   1.175 -10.189
  146    HE1  PHE  20           HE1      PHE  20   7.482  -3.703  -9.801
  147    HE2  PHE  20           HE2      PHE  20   9.327  -0.305 -11.582
  148    HZ   PHE  20           HZ       PHE  20   9.095  -2.745 -11.391
  149    H    ALA  21           H        ALA  21   7.012   3.047  -7.363
  150    HA   ALA  21           HA       ALA  21   9.739   3.196  -8.154
  151   1HB   ALA  21          2HB       ALA  21   7.939   5.016  -8.463
  152   2HB   ALA  21          1HB       ALA  21   8.126   5.390  -6.756
  153   3HB   ALA  21          3HB       ALA  21   9.474   5.629  -7.859
  154    H    GLU  22           H        GLU  22   8.142   2.989  -5.147
  155    HA   GLU  22           HA       GLU  22  10.352   3.852  -3.511
  156   1HB   GLU  22          2HB       GLU  22   8.314   4.082  -2.377
  157   2HB   GLU  22          1HB       GLU  22   7.636   2.651  -3.101
  158   1HG   GLU  22          2HG       GLU  22   9.861   2.177  -1.134
  159   2HG   GLU  22          1HG       GLU  22   8.354   2.785  -0.488
  160    H    ASP  23           H        ASP  23   9.098   0.830  -4.689
  161    HA   ASP  23           HA       ASP  23  10.844  -0.946  -3.238
  162   1HB   ASP  23          2HB       ASP  23   9.543  -2.533  -4.274
  163   2HB   ASP  23          1HB       ASP  23   8.647  -1.226  -4.996
  164    H    VAL  24           H        VAL  24  10.952   0.454  -6.449
  165    HA   VAL  24           HA       VAL  24  13.571  -0.537  -7.156
  166    HB   VAL  24           HB       VAL  24  11.969   1.825  -8.273
  167   1HG1  VAL  24          1HG1      VAL  24  14.498   0.452  -9.184
  168   2HG1  VAL  24          3HG1      VAL  24  13.384   1.034 -10.410
  169   3HG1  VAL  24          2HG1      VAL  24  14.051   2.150  -9.244
  170   1HG2  VAL  24          1HG2      VAL  24  11.833  -1.153  -8.740
  171   2HG2  VAL  24          3HG2      VAL  24  10.541   0.033  -8.702
  172   3HG2  VAL  24          2HG2      VAL  24  11.558  -0.098 -10.115
  173    H    GLY  25           H        GLY  25  12.408   1.976  -5.194
  174   1HA   GLY  25          2HA       GLY  25  13.422   3.673  -3.959
  175   2HA   GLY  25          1HA       GLY  25  14.896   2.713  -4.082
  176    H    SER  26           H        SER  26  12.906   4.466  -6.366
  177    HA   SER  26           HA       SER  26  13.401   5.988  -8.075
  178   1HB   SER  26          2HB       SER  26  13.855   7.344  -5.910
  179   2HB   SER  26          1HB       SER  26  15.577   7.036  -6.181
  180    HG   SER  26           HG       SER  26  15.508   8.487  -7.670
  181    H    ASN  27           H        ASN  27  14.775   3.480  -8.059
  182    HA   ASN  27           HA       ASN  27  16.251   2.311  -9.425
  183   1HB   ASN  27          2HB       ASN  27  17.242   4.993 -10.551
  184   2HB   ASN  27          1HB       ASN  27  17.300   3.416 -11.311
  185   1HD2  ASN  27          2HD2      ASN  27  14.000   5.678 -11.719
  186   2HD2  ASN  27          1HD2      ASN  27  15.395   6.244 -10.936
  187    H    LYS  28           H        LYS  28  16.924   2.435  -7.028
  188    HA   LYS  28           HA       LYS  28  19.857   2.474  -6.957
  189   1HB   LYS  28          2HB       LYS  28  18.175   4.212  -5.074
  190   2HB   LYS  28          1HB       LYS  28  19.794   3.703  -4.688
  191   1HG   LYS  28          2HG       LYS  28  20.492   5.585  -5.705
  192   2HG   LYS  28          1HG       LYS  28  20.215   4.742  -7.209
  193   1HD   LYS  28          2HD       LYS  28  17.708   5.635  -6.847
  194   2HD   LYS  28          1HD       LYS  28  18.496   6.806  -5.812
  195   1HE   LYS  28          2HE       LYS  28  19.210   6.313  -8.739
  196   2HE   LYS  28          1HE       LYS  28  18.263   7.662  -8.137
  197   1HZ   LYS  28          3HZ       LYS  28  20.618   7.540  -6.653
  198   2HZ   LYS  28          2HZ       LYS  28  21.031   7.432  -8.297
  199   3HZ   LYS  28          1HZ       LYS  28  20.111   8.744  -7.738
   
  No H/Q in entry =         199
  Start of MODEL    9
    1   1H    ASP   1          3H        ASP   1 -17.542  10.223  -1.728
    2   2H    ASP   1          2H        ASP   1 -18.726   9.271  -0.968
    3   3H    ASP   1          1H        ASP   1 -18.227  10.731  -0.259
    4    HA   ASP   1           HA       ASP   1 -16.658   9.711   0.861
    5   1HB   ASP   1          2HB       ASP   1 -17.508   7.207  -0.677
    6   2HB   ASP   1          1HB       ASP   1 -16.519   7.208   0.776
    7    H    ALA   2           H        ALA   2 -14.509   8.949   0.785
    8    HA   ALA   2           HA       ALA   2 -13.018   9.808  -1.508
    9   1HB   ALA   2          3HB       ALA   2 -12.164   8.102   0.867
   10   2HB   ALA   2          2HB       ALA   2 -11.058   8.860  -0.268
   11   3HB   ALA   2          1HB       ALA   2 -12.068   9.853   0.768
   12    H    GLU   3           H        GLU   3 -14.376   6.802  -0.583
   13    HA   GLU   3           HA       GLU   3 -14.583   4.760  -1.577
   14   1HB   GLU   3          2HB       GLU   3 -14.713   6.518  -3.684
   15   2HB   GLU   3          1HB       GLU   3 -13.318   5.596  -4.194
   16   1HG   GLU   3          2HG       GLU   3 -15.875   4.238  -3.258
   17   2HG   GLU   3          1HG       GLU   3 -15.688   4.784  -4.905
   18    H    PHE   4           H        PHE   4 -13.262   3.524  -0.546
   19    HA   PHE   4           HA       PHE   4 -10.804   2.632  -1.792
   20   1HB   PHE   4          2HB       PHE   4  -9.272   3.201   0.104
   21   2HB   PHE   4          1HB       PHE   4  -9.883   4.636  -0.672
   22    HD1  PHE   4           HD1      PHE   4 -12.285   5.480   0.529
   23    HD2  PHE   4           HD2      PHE   4  -9.113   3.326   2.399
   24    HE1  PHE   4           HE1      PHE   4 -12.996   6.317   2.707
   25    HE2  PHE   4           HE2      PHE   4  -9.830   4.175   4.580
   26    HZ   PHE   4           HZ       PHE   4 -11.773   5.673   4.742
   27    H    ARG   5           H        ARG   5 -12.846   2.606   1.087
   28    HA   ARG   5           HA       ARG   5 -11.919  -0.027   1.898
   29   1HB   ARG   5          2HB       ARG   5 -14.493   1.415   2.705
   30   2HB   ARG   5          1HB       ARG   5 -13.755   0.095   3.589
   31   1HG   ARG   5          2HG       ARG   5 -12.421   2.775   3.097
   32   2HG   ARG   5          1HG       ARG   5 -13.311   2.377   4.550
   33   1HD   ARG   5          2HD       ARG   5 -11.040   1.855   5.159
   34   2HD   ARG   5          1HD       ARG   5 -11.692   0.285   4.698
   35    HE   ARG   5           HE       ARG   5 -10.521   1.756   2.464
   36   1HH1  ARG   5          1HH2      ARG   5  -9.888  -0.404   5.105
   37   2HH1  ARG   5          2HH2      ARG   5  -8.455  -1.042   4.373
   38   1HH2  ARG   5          2HH1      ARG   5  -8.720   0.971   1.535
   39   2HH2  ARG   5          1HH1      ARG   5  -7.783  -0.254   2.322
   40    H    HIS   6           H        HIS   6 -13.762   1.082  -0.364
   41    HA   HIS   6           HA       HIS   6 -15.887  -0.777  -0.741
   42   1HB   HIS   6          2HB       HIS   6 -14.306   0.863  -2.760
   43   2HB   HIS   6          1HB       HIS   6 -15.763  -0.028  -3.177
   44    HD1  HIS   6           HD1      HIS   6 -17.605   1.625  -3.233
   45    HD2  HIS   6           HD2      HIS   6 -15.097   2.502  -0.136
   46    HE1  HIS   6           HE1      HIS   6 -18.594   3.559  -2.066
   47    H    ASP   7           H        ASP   7 -12.511  -0.957  -1.241
   48    HA   ASP   7           HA       ASP   7 -12.703  -3.740  -2.117
   49   1HB   ASP   7          2HB       ASP   7 -10.750  -1.783  -3.434
   50   2HB   ASP   7          1HB       ASP   7 -11.164  -3.392  -3.995
   51    H    SER   8           H        SER   8 -12.018  -2.113   0.220
   52    HA   SER   8           HA       SER   8 -10.489  -2.000   1.976
   53   1HB   SER   8          2HB       SER   8 -11.252  -4.468   1.897
   54   2HB   SER   8          1HB       SER   8  -9.725  -4.830   1.079
   55    HG   SER   8           HG       SER   8  -9.228  -3.208   3.136
   56    H    GLY   9           H        GLY   9  -9.534  -0.755  -0.195
   57   1HA   GLY   9          2HA       GLY   9  -7.283   0.307  -0.201
   58   2HA   GLY   9          1HA       GLY   9  -6.587  -1.312  -0.171
   59    H    TYR  10           H        TYR  10  -9.111   0.315  -2.023
   60    HA   TYR  10           HA       TYR  10  -8.722  -1.074  -4.453
   61   1HB   TYR  10          2HB       TYR  10 -10.297   0.374  -5.364
   62   2HB   TYR  10          1HB       TYR  10 -10.674   0.473  -3.648
   63    HD1  TYR  10           HD2      TYR  10  -8.472   2.378  -2.743
   64    HD2  TYR  10           HD1      TYR  10 -11.021   2.468  -6.160
   65    HE1  TYR  10           HE2      TYR  10  -8.235   4.798  -2.860
   66    HE2  TYR  10           HE1      TYR  10 -10.777   4.895  -6.270
   67    HH   TYR  10           HH       TYR  10 -10.037   6.766  -4.081
   68    H    GLU  11           H        GLU  11  -8.404   0.308  -6.547
   69    HA   GLU  11           HA       GLU  11  -5.582   0.952  -6.618
   70   1HB   GLU  11          2HB       GLU  11  -5.924   1.229  -9.032
   71   2HB   GLU  11          1HB       GLU  11  -6.883  -0.140  -8.526
   72   1HG   GLU  11          2HG       GLU  11  -8.631   0.878  -9.581
   73   2HG   GLU  11          1HG       GLU  11  -8.715   1.941  -8.196
   74    H    VAL  12           H        VAL  12  -4.760   2.954  -7.536
   75    HA   VAL  12           HA       VAL  12  -6.411   5.363  -7.018
   76    HB   VAL  12           HB       VAL  12  -3.756   4.700  -5.695
   77   1HG1  VAL  12          3HG1      VAL  12  -3.855   7.116  -6.423
   78   2HG1  VAL  12          2HG1      VAL  12  -5.363   7.307  -5.548
   79   3HG1  VAL  12          1HG1      VAL  12  -3.873   6.981  -4.674
   80   1HG2  VAL  12          3HG2      VAL  12  -6.520   5.263  -4.577
   81   2HG2  VAL  12          2HG2      VAL  12  -5.612   3.757  -4.454
   82   3HG2  VAL  12          1HG2      VAL  12  -5.074   5.183  -3.583
   83    H    HIS  13           H        HIS  13  -3.200   4.269  -7.779
   84    HA   HIS  13           HA       HIS  13  -1.791   4.581  -9.600
   85   1HB   HIS  13          2HB       HIS  13  -4.120   6.200 -10.819
   86   2HB   HIS  13          1HB       HIS  13  -2.613   5.840 -11.620
   87    HD1  HIS  13           HD1      HIS  13  -3.092   3.949 -13.136
   88    HD2  HIS  13           HD2      HIS  13  -4.929   3.321  -9.548
   89    HE1  HIS  13           HE1      HIS  13  -4.133   1.717 -13.265
   90    H    HIS  14           H        HIS  14  -2.045   6.361  -7.238
   91    HA   HIS  14           HA       HIS  14  -0.530   8.715  -8.231
   92   1HB   HIS  14          2HB       HIS  14  -2.413   8.475  -5.804
   93   2HB   HIS  14          1HB       HIS  14  -1.277   9.796  -5.993
   94    HD1  HIS  14           HD1      HIS  14  -2.451  11.743  -7.020
   95    HD2  HIS  14           HD2      HIS  14  -3.963   8.249  -8.447
   96    HE1  HIS  14           HE1      HIS  14  -4.218  12.370  -8.623
   97    H    GLN  15           H        GLN  15  -0.923   7.727  -4.919
   98    HA   GLN  15           HA       GLN  15   1.900   7.348  -4.446
   99   1HB   GLN  15          2HB       GLN  15  -0.436   6.197  -2.847
  100   2HB   GLN  15          1HB       GLN  15   1.196   6.458  -2.256
  101   1HG   GLN  15          2HG       GLN  15   0.903   8.932  -2.591
  102   2HG   GLN  15          1HG       GLN  15  -0.757   8.647  -3.101
  103   1HE2  GLN  15          2HE2      GLN  15  -1.892   7.774   0.187
  104   2HE2  GLN  15          1HE2      GLN  15  -2.173   7.471  -1.459
  105    H    GLU  16           H        GLU  16  -0.569   5.443  -5.716
  106    HA   GLU  16           HA       GLU  16   0.110   2.814  -5.247
  107   1HB   GLU  16          2HB       GLU  16  -1.837   3.476  -6.529
  108   2HB   GLU  16          1HB       GLU  16  -0.821   4.170  -7.780
  109   1HG   GLU  16          2HG       GLU  16   0.079   1.959  -8.344
  110   2HG   GLU  16          1HG       GLU  16  -0.819   1.225  -7.025
  111    H    LEU  17           H        LEU  17   1.407   4.892  -7.838
  112    HA   LEU  17           HA       LEU  17   3.395   2.902  -8.491
  113   1HB   LEU  17          2HB       LEU  17   4.120   4.501 -10.243
  114   2HB   LEU  17          1HB       LEU  17   2.378   4.393 -10.249
  115    HG   LEU  17           HG       LEU  17   3.063   6.411  -8.339
  116   1HD1  LEU  17          2HD1      LEU  17   5.275   6.570  -9.442
  117   2HD1  LEU  17          1HD1      LEU  17   4.496   6.822 -10.995
  118   3HD1  LEU  17          3HD1      LEU  17   4.339   8.026  -9.724
  119   1HD2  LEU  17          2HD2      LEU  17   1.004   6.300  -9.748
  120   2HD2  LEU  17          1HD2      LEU  17   1.768   7.878  -9.835
  121   3HD2  LEU  17          3HD2      LEU  17   1.954   6.735 -11.159
  122    H    VAL  18           H        VAL  18   3.220   5.422  -6.297
  123    HA   VAL  18           HA       VAL  18   6.068   6.002  -6.196
  124    HB   VAL  18           HB       VAL  18   3.894   6.360  -4.075
  125   1HG1  VAL  18          3HG1      VAL  18   6.750   7.366  -4.337
  126   2HG1  VAL  18          2HG1      VAL  18   5.564   8.174  -3.315
  127   3HG1  VAL  18          1HG1      VAL  18   6.018   6.510  -2.991
  128   1HG2  VAL  18          1HG2      VAL  18   5.023   8.149  -6.268
  129   2HG2  VAL  18          3HG2      VAL  18   3.423   7.446  -6.237
  130   3HG2  VAL  18          2HG2      VAL  18   3.846   8.674  -5.055
  131    H    PHE  19           H        PHE  19   3.957   3.566  -5.145
  132    HA   PHE  19           HA       PHE  19   5.633   2.455  -3.038
  133   1HB   PHE  19          2HB       PHE  19   3.475   1.014  -4.648
  134   2HB   PHE  19          1HB       PHE  19   4.085   0.553  -3.072
  135    HD1  PHE  19           HD1      PHE  19   4.095   3.491  -1.940
  136    HD2  PHE  19           HD2      PHE  19   1.186   1.150  -3.993
  137    HE1  PHE  19           HE1      PHE  19   2.305   4.770  -0.857
  138    HE2  PHE  19           HE2      PHE  19  -0.605   2.435  -2.904
  139    HZ   PHE  19           HZ       PHE  19  -0.050   4.246  -1.339
  140    H    PHE  20           H        PHE  20   5.342   2.371  -6.403
  141    HA   PHE  20           HA       PHE  20   6.924  -0.077  -6.856
  142   1HB   PHE  20          2HB       PHE  20   5.477   0.241  -8.667
  143   2HB   PHE  20          1HB       PHE  20   5.512   1.979  -8.560
  144    HD1  PHE  20           HD2      PHE  20   7.629  -0.945  -9.515
  145    HD2  PHE  20           HD1      PHE  20   6.934   3.232 -10.018
  146    HE1  PHE  20           HE2      PHE  20   9.313  -0.878 -11.299
  147    HE2  PHE  20           HE1      PHE  20   8.618   3.293 -11.800
  148    HZ   PHE  20           HZ       PHE  20   9.811   1.241 -12.445
  149    H    ALA  21           H        ALA  21   7.294   3.409  -7.183
  150    HA   ALA  21           HA       ALA  21  10.021   3.488  -7.935
  151   1HB   ALA  21          2HB       ALA  21   8.017   5.377  -7.476
  152   2HB   ALA  21          1HB       ALA  21   9.071   5.670  -6.108
  153   3HB   ALA  21          3HB       ALA  21   9.692   5.803  -7.747
  154    H    GLU  22           H        GLU  22   8.336   3.363  -4.919
  155    HA   GLU  22           HA       GLU  22  10.519   3.587  -3.150
  156   1HB   GLU  22          2HB       GLU  22   8.439   3.838  -2.104
  157   2HB   GLU  22          1HB       GLU  22   7.710   2.569  -3.047
  158   1HG   GLU  22          2HG       GLU  22   9.753   1.644  -1.058
  159   2HG   GLU  22          1HG       GLU  22   8.280   2.325  -0.402
  160    H    ASP  23           H        ASP  23   9.154   0.876  -4.820
  161    HA   ASP  23           HA       ASP  23  10.661  -1.219  -3.535
  162   1HB   ASP  23          2HB       ASP  23   9.152  -2.438  -4.748
  163   2HB   ASP  23          1HB       ASP  23   8.625  -1.002  -5.579
  164    H    VAL  24           H        VAL  24  11.066   0.523  -6.559
  165    HA   VAL  24           HA       VAL  24  13.476  -0.611  -7.478
  166    HB   VAL  24           HB       VAL  24  12.441   2.258  -7.764
  167   1HG1  VAL  24          1HG1      VAL  24  14.768   0.829  -9.093
  168   2HG1  VAL  24          3HG1      VAL  24  13.936   2.141  -9.911
  169   3HG1  VAL  24          2HG1      VAL  24  14.728   2.432  -8.375
  170   1HG2  VAL  24          3HG2      VAL  24  12.198  -0.208  -9.542
  171   2HG2  VAL  24          2HG2      VAL  24  10.891   0.609  -8.705
  172   3HG2  VAL  24          1HG2      VAL  24  11.710   1.409 -10.028
  173    H    GLY  25           H        GLY  25  13.067   2.326  -5.530
  174   1HA   GLY  25          2HA       GLY  25  14.375   3.120  -3.748
  175   2HA   GLY  25          1HA       GLY  25  15.470   1.763  -3.958
  176    H    SER  26           H        SER  26  15.980   2.269  -6.756
  177    HA   SER  26           HA       SER  26  18.240   3.960  -6.603
  178   1HB   SER  26          2HB       SER  26  16.677   3.311  -9.156
  179   2HB   SER  26          1HB       SER  26  18.406   3.665  -9.024
  180    HG   SER  26           HG       SER  26  18.683   1.664  -8.530
  181    H    ASN  27           H        ASN  27  14.960   4.624  -7.387
  182    HA   ASN  27           HA       ASN  27  15.531   7.506  -7.938
  183   1HB   ASN  27          2HB       ASN  27  13.175   7.483  -8.897
  184   2HB   ASN  27          1HB       ASN  27  14.291   6.422  -9.742
  185   1HD2  ASN  27          2HD2      ASN  27  11.530   4.637  -7.263
  186   2HD2  ASN  27          1HD2      ASN  27  12.143   6.153  -6.824
  187    H    LYS  28           H        LYS  28  14.539   5.434  -5.562
  188    HA   LYS  28           HA       LYS  28  13.564   5.648  -3.479
  189   1HB   LYS  28          2HB       LYS  28  14.148   8.631  -3.989
  190   2HB   LYS  28          1HB       LYS  28  13.677   7.961  -2.449
  191   1HG   LYS  28          2HG       LYS  28  15.900   7.737  -2.065
  192   2HG   LYS  28          1HG       LYS  28  15.784   6.297  -3.050
  193   1HD   LYS  28          2HD       LYS  28  16.318   7.757  -5.086
  194   2HD   LYS  28          1HD       LYS  28  16.571   9.095  -3.982
  195   1HE   LYS  28          2HE       LYS  28  18.755   8.328  -4.088
  196   2HE   LYS  28          1HE       LYS  28  18.209   7.280  -2.791
  197   1HZ   LYS  28          3HZ       LYS  28  17.528   6.108  -5.239
  198   2HZ   LYS  28          2HZ       LYS  28  19.162   6.563  -5.299
  199   3HZ   LYS  28          1HZ       LYS  28  18.606   5.545  -4.056
   
  No H/Q in entry =         199
  Start of MODEL   10
    1   1H    ASP   1          1H        ASP   1 -12.377   0.160 -20.747
    2   2H    ASP   1          3H        ASP   1 -12.144   1.840 -20.717
    3   3H    ASP   1          2H        ASP   1 -10.847   0.810 -21.094
    4    HA   ASP   1           HA       ASP   1 -10.280   0.674 -18.993
    5   1HB   ASP   1          2HB       ASP   1 -11.262   2.201 -17.389
    6   2HB   ASP   1          1HB       ASP   1 -11.353   3.009 -18.939
    7    H    ALA   2           H        ALA   2 -10.593  -0.548 -17.121
    8    HA   ALA   2           HA       ALA   2 -12.865  -2.464 -17.267
    9   1HB   ALA   2          3HB       ALA   2 -10.516  -3.395 -17.289
   10   2HB   ALA   2          2HB       ALA   2 -10.239  -2.662 -15.715
   11   3HB   ALA   2          1HB       ALA   2 -11.427  -3.945 -15.892
   12    H    GLU   3           H        GLU   3 -11.442  -0.085 -15.294
   13    HA   GLU   3           HA       GLU   3 -11.860   0.658 -13.128
   14   1HB   GLU   3          2HB       GLU   3 -13.975   1.784 -13.154
   15   2HB   GLU   3          1HB       GLU   3 -13.438   1.657 -14.812
   16   1HG   GLU   3          2HG       GLU   3 -15.138  -0.647 -14.153
   17   2HG   GLU   3          1HG       GLU   3 -15.946   0.844 -13.753
   18    H    PHE   4           H        PHE   4 -11.800  -2.147 -13.164
   19    HA   PHE   4           HA       PHE   4 -13.860  -3.255 -11.440
   20   1HB   PHE   4          2HB       PHE   4 -12.160  -5.214 -11.345
   21   2HB   PHE   4          1HB       PHE   4 -12.884  -4.812 -12.879
   22    HD1  PHE   4           HD1      PHE   4 -10.223  -2.448 -11.887
   23    HD2  PHE   4           HD2      PHE   4 -11.046  -6.183 -13.772
   24    HE1  PHE   4           HE1      PHE   4  -8.035  -2.394 -12.972
   25    HE2  PHE   4           HE2      PHE   4  -8.848  -6.117 -14.851
   26    HZ   PHE   4           HZ       PHE   4  -7.336  -4.220 -14.452
   27    H    ARG   5           H        ARG   5 -12.287  -0.923 -10.448
   28    HA   ARG   5           HA       ARG   5 -11.364  -0.206  -8.365
   29   1HB   ARG   5          2HB       ARG   5 -12.557  -2.771  -7.279
   30   2HB   ARG   5          1HB       ARG   5 -12.267  -1.268  -6.419
   31   1HG   ARG   5          2HG       ARG   5 -13.838  -0.371  -8.482
   32   2HG   ARG   5          1HG       ARG   5 -14.424  -2.012  -8.346
   33   1HD   ARG   5          2HD       ARG   5 -15.826  -0.930  -6.782
   34   2HD   ARG   5          1HD       ARG   5 -14.505  -1.399  -5.722
   35    HE   ARG   5           HE       ARG   5 -13.886   0.862  -5.540
   36   1HH1  ARG   5          1HH2      ARG   5 -16.084   0.408  -8.178
   37   2HH1  ARG   5          2HH2      ARG   5 -16.296   2.106  -8.442
   38   1HH2  ARG   5          2HH1      ARG   5 -14.136   3.019  -5.861
   39   2HH2  ARG   5          1HH1      ARG   5 -15.174   3.603  -7.118
   40    H    HIS   6           H        HIS   6 -10.032  -1.854 -10.224
   41    HA   HIS   6           HA       HIS   6  -8.010  -3.024 -10.533
   42   1HB   HIS   6          2HB       HIS   6  -7.637  -1.359  -8.033
   43   2HB   HIS   6          1HB       HIS   6  -6.427  -2.598  -8.309
   44    HD1  HIS   6           HD1      HIS   6  -4.721  -0.705  -8.884
   45    HD2  HIS   6           HD2      HIS   6  -7.847  -0.845 -11.507
   46    HE1  HIS   6           HE1      HIS   6  -4.069   0.666 -10.830
   47    H    ASP   7           H        ASP   7  -9.969  -4.541 -10.031
   48    HA   ASP   7           HA       ASP   7 -10.605  -6.657  -9.391
   49   1HB   ASP   7          2HB       ASP   7  -8.801  -7.998  -9.719
   50   2HB   ASP   7          1HB       ASP   7  -7.741  -6.629  -9.572
   51    H    SER   8           H        SER   8 -11.135  -4.502  -7.723
   52    HA   SER   8           HA       SER   8 -12.078  -4.001  -5.668
   53   1HB   SER   8          2HB       SER   8 -11.968  -7.034  -5.160
   54   2HB   SER   8          1HB       SER   8 -13.039  -5.864  -4.381
   55    HG   SER   8           HG       SER   8 -14.259  -5.998  -6.057
   56    H    GLY   9           H        GLY   9  -9.833  -3.139  -5.538
   57   1HA   GLY   9          2HA       GLY   9  -8.616  -3.886  -2.927
   58   2HA   GLY   9          1HA       GLY   9  -7.591  -3.575  -4.357
   59    H    TYR  10           H        TYR  10  -7.777  -1.554  -5.397
   60    HA   TYR  10           HA       TYR  10  -9.401   0.612  -4.534
   61   1HB   TYR  10          2HB       TYR  10  -7.998   1.837  -3.095
   62   2HB   TYR  10          1HB       TYR  10  -7.648   0.203  -2.562
   63    HD1  TYR  10           HD2      TYR  10  -5.737  -0.992  -4.138
   64    HD2  TYR  10           HD1      TYR  10  -6.097   3.183  -3.378
   65    HE1  TYR  10           HE2      TYR  10  -3.384  -0.690  -4.696
   66    HE2  TYR  10           HE1      TYR  10  -3.736   3.485  -3.935
   67    HH   TYR  10           HH       TYR  10  -2.006   1.608  -5.623
   68    H    GLU  11           H        GLU  11  -8.906   2.582  -5.670
   69    HA   GLU  11           HA       GLU  11  -6.854   2.319  -7.806
   70   1HB   GLU  11          2HB       GLU  11  -9.846   2.856  -8.129
   71   2HB   GLU  11          1HB       GLU  11  -8.709   3.449  -9.332
   72   1HG   GLU  11          2HG       GLU  11  -7.755   1.017  -9.292
   73   2HG   GLU  11          1HG       GLU  11  -9.267   0.578  -8.529
   74    H    VAL  12           H        VAL  12  -5.530   3.717  -7.445
   75    HA   VAL  12           HA       VAL  12  -6.300   6.567  -7.026
   76    HB   VAL  12           HB       VAL  12  -4.210   4.854  -5.621
   77   1HG1  VAL  12          2HG1      VAL  12  -4.093   7.772  -6.187
   78   2HG1  VAL  12          1HG1      VAL  12  -3.975   7.412  -4.478
   79   3HG1  VAL  12          3HG1      VAL  12  -2.830   6.702  -5.592
   80   1HG2  VAL  12          2HG2      VAL  12  -6.526   4.939  -4.722
   81   2HG2  VAL  12          1HG2      VAL  12  -5.361   5.642  -3.604
   82   3HG2  VAL  12          3HG2      VAL  12  -6.392   6.687  -4.583
   83    H    HIS  13           H        HIS  13  -3.556   4.477  -7.640
   84    HA   HIS  13           HA       HIS  13  -2.064   4.343  -9.416
   85   1HB   HIS  13          2HB       HIS  13  -3.626   6.546 -10.841
   86   2HB   HIS  13          1HB       HIS  13  -2.594   5.319 -11.543
   87    HD1  HIS  13           HD1      HIS  13  -5.268   5.269 -12.664
   88    HD2  HIS  13           HD2      HIS  13  -4.575   3.198  -9.211
   89    HE1  HIS  13           HE1      HIS  13  -7.045   3.572 -12.495
   90    H    HIS  14           H        HIS  14  -2.451   6.893  -7.401
   91    HA   HIS  14           HA       HIS  14  -0.308   8.577  -8.499
   92   1HB   HIS  14          2HB       HIS  14  -2.220   8.905  -6.160
   93   2HB   HIS  14          1HB       HIS  14  -0.786   9.912  -6.283
   94    HD1  HIS  14           HD1      HIS  14  -1.140  11.932  -7.757
   95    HD2  HIS  14           HD2      HIS  14  -3.825   8.998  -8.576
   96    HE1  HIS  14           HE1      HIS  14  -2.686  12.880  -9.436
   97    H    GLN  15           H        GLN  15  -0.863   7.911  -5.123
   98    HA   GLN  15           HA       GLN  15   1.850   7.381  -4.411
   99   1HB   GLN  15          2HB       GLN  15  -0.593   6.231  -2.985
  100   2HB   GLN  15          1HB       GLN  15   0.967   6.585  -2.280
  101   1HG   GLN  15          2HG       GLN  15  -0.003   8.552  -1.612
  102   2HG   GLN  15          1HG       GLN  15   0.301   9.084  -3.257
  103   1HE2  GLN  15          2HE2      GLN  15  -3.126   9.473  -3.877
  104   2HE2  GLN  15          1HE2      GLN  15  -1.530   9.948  -4.208
  105    H    GLU  16           H        GLU  16  -0.637   5.457  -5.718
  106    HA   GLU  16           HA       GLU  16   0.087   2.832  -5.200
  107   1HB   GLU  16          2HB       GLU  16  -1.891   3.464  -6.485
  108   2HB   GLU  16          1HB       GLU  16  -0.867   4.081  -7.768
  109   1HG   GLU  16          2HG       GLU  16  -0.082   1.924  -8.371
  110   2HG   GLU  16          1HG       GLU  16  -0.642   1.191  -6.881
  111    H    LEU  17           H        LEU  17   1.335   4.971  -7.744
  112    HA   LEU  17           HA       LEU  17   3.324   3.019  -8.504
  113   1HB   LEU  17          2HB       LEU  17   3.760   4.446 -10.364
  114   2HB   LEU  17          1HB       LEU  17   2.104   4.854  -9.998
  115    HG   LEU  17           HG       LEU  17   3.434   6.591  -8.340
  116   1HD1  LEU  17          2HD1      LEU  17   5.661   5.916  -9.332
  117   2HD1  LEU  17          1HD1      LEU  17   5.093   6.448 -10.904
  118   3HD1  LEU  17          3HD1      LEU  17   5.303   7.609  -9.602
  119   1HD2  LEU  17          3HD2      LEU  17   2.509   6.973 -11.210
  120   2HD2  LEU  17          2HD2      LEU  17   1.635   7.353  -9.734
  121   3HD2  LEU  17          1HD2      LEU  17   3.019   8.320 -10.203
  122    H    VAL  18           H        VAL  18   3.199   5.545  -6.269
  123    HA   VAL  18           HA       VAL  18   6.056   6.035  -6.163
  124    HB   VAL  18           HB       VAL  18   3.947   6.404  -3.979
  125   1HG1  VAL  18          1HG1      VAL  18   6.683   7.670  -4.449
  126   2HG1  VAL  18          3HG1      VAL  18   5.565   8.108  -3.156
  127   3HG1  VAL  18          2HG1      VAL  18   6.304   6.522  -3.185
  128   1HG2  VAL  18          1HG2      VAL  18   4.941   8.153  -6.269
  129   2HG2  VAL  18          3HG2      VAL  18   3.329   7.504  -6.084
  130   3HG2  VAL  18          2HG2      VAL  18   3.894   8.740  -4.971
  131    H    PHE  19           H        PHE  19   3.906   3.630  -5.106
  132    HA   PHE  19           HA       PHE  19   5.581   2.496  -3.037
  133   1HB   PHE  19          2HB       PHE  19   3.404   1.078  -4.651
  134   2HB   PHE  19          1HB       PHE  19   4.003   0.600  -3.078
  135    HD1  PHE  19           HD2      PHE  19   4.048   3.588  -2.004
  136    HD2  PHE  19           HD1      PHE  19   1.107   1.187  -3.925
  137    HE1  PHE  19           HE2      PHE  19   2.284   4.891  -0.910
  138    HE2  PHE  19           HE1      PHE  19  -0.663   2.495  -2.824
  139    HZ   PHE  19           HZ       PHE  19  -0.079   4.347  -1.322
  140    H    PHE  20           H        PHE  20   5.324   2.442  -6.400
  141    HA   PHE  20           HA       PHE  20   6.900  -0.020  -6.839
  142   1HB   PHE  20          2HB       PHE  20   5.302   0.491  -8.581
  143   2HB   PHE  20          1HB       PHE  20   5.807   2.158  -8.694
  144    HD1  PHE  20           HD1      PHE  20   6.974  -1.324  -9.289
  145    HD2  PHE  20           HD2      PHE  20   7.620   2.808 -10.115
  146    HE1  PHE  20           HE1      PHE  20   8.642  -1.923 -10.989
  147    HE2  PHE  20           HE2      PHE  20   9.287   2.205 -11.813
  148    HZ   PHE  20           HZ       PHE  20   9.800  -0.159 -12.253
  149    H    ALA  21           H        ALA  21   7.257   3.475  -7.038
  150    HA   ALA  21           HA       ALA  21   9.988   3.578  -7.795
  151   1HB   ALA  21          3HB       ALA  21   8.326   5.490  -6.072
  152   2HB   ALA  21          2HB       ALA  21   9.910   5.891  -6.709
  153   3HB   ALA  21          1HB       ALA  21   8.567   5.618  -7.806
  154    H    GLU  22           H        GLU  22   8.297   3.282  -4.784
  155    HA   GLU  22           HA       GLU  22  10.479   3.447  -3.006
  156   1HB   GLU  22          2HB       GLU  22   7.744   2.200  -2.890
  157   2HB   GLU  22          1HB       GLU  22   8.861   1.776  -1.615
  158   1HG   GLU  22          2HG       GLU  22   8.987   3.977  -0.786
  159   2HG   GLU  22          1HG       GLU  22   8.466   4.694  -2.302
  160    H    ASP  23           H        ASP  23   9.198   0.803  -4.822
  161    HA   ASP  23           HA       ASP  23  10.773  -1.317  -3.661
  162   1HB   ASP  23          2HB       ASP  23   9.269  -2.518  -4.899
  163   2HB   ASP  23          1HB       ASP  23   8.680  -1.053  -5.636
  164    H    VAL  24           H        VAL  24  11.051   0.547  -6.623
  165    HA   VAL  24           HA       VAL  24  13.454  -0.471  -7.663
  166    HB   VAL  24           HB       VAL  24  12.290   2.357  -7.764
  167   1HG1  VAL  24          3HG1      VAL  24  14.715   1.193  -9.162
  168   2HG1  VAL  24          2HG1      VAL  24  13.759   2.431  -9.959
  169   3HG1  VAL  24          1HG1      VAL  24  14.521   2.773  -8.421
  170   1HG2  VAL  24          1HG2      VAL  24  12.182   0.006  -9.700
  171   2HG2  VAL  24          3HG2      VAL  24  10.838   0.673  -8.790
  172   3HG2  VAL  24          2HG2      VAL  24  11.579   1.616 -10.066
  173    H    GLY  25           H        GLY  25  13.076   2.396  -5.609
  174   1HA   GLY  25          2HA       GLY  25  14.484   3.454  -4.108
  175   2HA   GLY  25          1HA       GLY  25  15.180   1.874  -3.814
  176    H    SER  26           H        SER  26  15.701   2.446  -7.008
  177    HA   SER  26           HA       SER  26  18.530   3.023  -6.624
  178   1HB   SER  26          2HB       SER  26  16.851   2.777  -9.192
  179   2HB   SER  26          1HB       SER  26  18.619   2.748  -9.113
  180    HG   SER  26           HG       SER  26  17.579   1.073  -7.283
  181    H    ASN  27           H        ASN  27  16.836   4.618  -9.192
  182    HA   ASN  27           HA       ASN  27  18.023   7.176  -8.620
  183   1HB   ASN  27          2HB       ASN  27  16.602   7.989 -10.488
  184   2HB   ASN  27          1HB       ASN  27  17.318   6.447 -10.921
  185   1HD2  ASN  27          2HD2      ASN  27  13.399   6.764 -11.179
  186   2HD2  ASN  27          1HD2      ASN  27  14.499   8.055 -11.220
  187    H    LYS  28           H        LYS  28  15.281   5.538  -7.521
  188    HA   LYS  28           HA       LYS  28  13.732   7.850  -6.629
  189   1HB   LYS  28          2HB       LYS  28  13.350   4.983  -5.690
  190   2HB   LYS  28          1HB       LYS  28  12.142   6.241  -5.822
  191   1HG   LYS  28          2HG       LYS  28  13.555   4.886  -8.168
  192   2HG   LYS  28          1HG       LYS  28  11.934   4.544  -7.627
  193   1HD   LYS  28          2HD       LYS  28  11.382   7.020  -8.035
  194   2HD   LYS  28          1HD       LYS  28  12.935   7.139  -8.839
  195   1HE   LYS  28          2HE       LYS  28  12.190   5.173 -10.319
  196   2HE   LYS  28          1HE       LYS  28  10.588   5.366  -9.620
  197   1HZ   LYS  28          1HZ       LYS  28  11.502   7.880 -10.421
  198   2HZ   LYS  28          3HZ       LYS  28  11.752   6.796 -11.704
  199   3HZ   LYS  28          2HZ       LYS  28  10.201   6.979 -11.036
   
  No H/Q in entry =         199
  Start of MODEL   11
    1   1H    ASP   1          3H        ASP   1 -15.362 -12.544 -11.689
    2   2H    ASP   1          2H        ASP   1 -14.700 -14.110 -11.635
    3   3H    ASP   1          1H        ASP   1 -15.892 -13.652 -10.516
    4    HA   ASP   1           HA       ASP   1 -14.384 -12.937  -9.115
    5   1HB   ASP   1          2HB       ASP   1 -12.434 -13.707 -11.346
    6   2HB   ASP   1          1HB       ASP   1 -11.930 -13.292  -9.716
    7    H    ALA   2           H        ALA   2 -15.280 -10.854  -9.313
    8    HA   ALA   2           HA       ALA   2 -14.268  -8.822 -11.094
    9   1HB   ALA   2          1HB       ALA   2 -16.509  -8.711 -10.001
   10   2HB   ALA   2          3HB       ALA   2 -15.729  -8.517  -8.439
   11   3HB   ALA   2          2HB       ALA   2 -15.562  -7.270  -9.666
   12    H    GLU   3           H        GLU   3 -13.108 -10.188  -8.256
   13    HA   GLU   3           HA       GLU   3 -11.397  -9.821  -6.814
   14   1HB   GLU   3          2HB       GLU   3  -9.419  -9.670  -8.045
   15   2HB   GLU   3          1HB       GLU   3 -10.486  -9.656  -9.406
   16   1HG   GLU   3          2HG       GLU   3  -9.335  -7.810 -10.023
   17   2HG   GLU   3          1HG       GLU   3 -10.421  -6.963  -8.949
   18    H    PHE   4           H        PHE   4 -13.480  -7.748  -7.058
   19    HA   PHE   4           HA       PHE   4 -12.569  -5.148  -6.499
   20   1HB   PHE   4          2HB       PHE   4 -14.978  -5.813  -6.833
   21   2HB   PHE   4          1HB       PHE   4 -14.992  -6.511  -5.225
   22    HD1  PHE   4           HD1      PHE   4 -14.631  -5.003  -3.214
   23    HD2  PHE   4           HD2      PHE   4 -15.135  -3.424  -7.144
   24    HE1  PHE   4           HE1      PHE   4 -15.115  -2.797  -2.267
   25    HE2  PHE   4           HE2      PHE   4 -15.620  -1.218  -6.188
   26    HZ   PHE   4           HZ       PHE   4 -15.611  -0.899  -3.750
   27    H    ARG   5           H        ARG   5 -13.473  -7.580  -4.090
   28    HA   ARG   5           HA       ARG   5 -12.448  -6.122  -1.885
   29   1HB   ARG   5          2HB       ARG   5 -12.635  -8.537  -0.745
   30   2HB   ARG   5          1HB       ARG   5 -14.060  -7.673  -1.242
   31   1HG   ARG   5          2HG       ARG   5 -12.853  -9.409  -3.372
   32   2HG   ARG   5          1HG       ARG   5 -13.446 -10.273  -1.972
   33   1HD   ARG   5          2HD       ARG   5 -15.084  -8.281  -3.605
   34   2HD   ARG   5          1HD       ARG   5 -15.261 -10.027  -3.667
   35    HE   ARG   5           HE       ARG   5 -16.126  -8.233  -1.505
   36   1HH1  ARG   5          1HH2      ARG   5 -15.479 -11.495  -2.501
   37   2HH1  ARG   5          2HH2      ARG   5 -16.463 -12.187  -1.258
   38   1HH2  ARG   5          2HH1      ARG   5 -17.372  -9.096   0.076
   39   2HH2  ARG   5          1HH1      ARG   5 -17.550 -10.814   0.225
   40    H    HIS   6           H        HIS   6 -10.562  -7.098  -4.090
   41    HA   HIS   6           HA       HIS   6  -8.425  -8.320  -2.467
   42   1HB   HIS   6          2HB       HIS   6  -8.426  -7.549  -5.421
   43   2HB   HIS   6          1HB       HIS   6  -7.159  -8.437  -4.607
   44    HD1  HIS   6           HD1      HIS   6  -7.914 -10.208  -6.521
   45    HD2  HIS   6           HD2      HIS   6 -10.539  -9.820  -3.419
   46    HE1  HIS   6           HE1      HIS   6  -9.362 -12.206  -6.575
   47    H    ASP   7           H        ASP   7  -9.533  -5.340  -3.642
   48    HA   ASP   7           HA       ASP   7  -7.419  -3.858  -2.348
   49   1HB   ASP   7          2HB       ASP   7  -6.727  -2.648  -4.379
   50   2HB   ASP   7          1HB       ASP   7  -6.779  -4.329  -4.879
   51    H    SER   8           H        SER   8 -10.319  -4.449  -2.333
   52    HA   SER   8           HA       SER   8 -12.361  -3.371  -1.953
   53   1HB   SER   8          2HB       SER   8 -10.743  -2.347  -0.132
   54   2HB   SER   8          1HB       SER   8 -10.706  -0.904  -1.158
   55    HG   SER   8           HG       SER   8 -12.641  -1.753   0.470
   56    H    GLY   9           H        GLY   9 -11.022  -3.112  -4.486
   57   1HA   GLY   9          2HA       GLY   9 -11.281  -2.139  -6.596
   58   2HA   GLY   9          1HA       GLY   9 -12.846  -1.602  -6.006
   59    H    TYR  10           H        TYR  10  -9.745  -0.610  -4.632
   60    HA   TYR  10           HA       TYR  10 -10.430   2.172  -5.099
   61   1HB   TYR  10          2HB       TYR  10  -9.166   2.541  -3.229
   62   2HB   TYR  10          1HB       TYR  10  -9.240   0.801  -3.016
   63    HD1  TYR  10           HD1      TYR  10  -7.390  -0.602  -4.134
   64    HD2  TYR  10           HD2      TYR  10  -7.026   3.592  -3.538
   65    HE1  TYR  10           HE1      TYR  10  -4.989  -0.793  -4.399
   66    HE2  TYR  10           HE2      TYR  10  -4.609   3.410  -3.806
   67    HH   TYR  10           HH       TYR  10  -3.078   1.121  -5.217
   68    H    GLU  11           H        GLU  11  -9.158   3.622  -6.180
   69    HA   GLU  11           HA       GLU  11  -6.880   2.634  -7.774
   70   1HB   GLU  11          2HB       GLU  11  -9.432   3.935  -8.877
   71   2HB   GLU  11          1HB       GLU  11  -7.931   3.995  -9.769
   72   1HG   GLU  11          2HG       GLU  11  -8.895   2.068 -10.684
   73   2HG   GLU  11          1HG       GLU  11  -7.852   1.391  -9.452
   74    H    VAL  12           H        VAL  12  -5.314   3.963  -7.749
   75    HA   VAL  12           HA       VAL  12  -5.768   6.848  -7.128
   76    HB   VAL  12           HB       VAL  12  -4.014   4.803  -5.711
   77   1HG1  VAL  12          2HG1      VAL  12  -3.446   7.791  -5.905
   78   2HG1  VAL  12          1HG1      VAL  12  -2.884   6.817  -4.554
   79   3HG1  VAL  12          3HG1      VAL  12  -2.324   6.463  -6.171
   80   1HG2  VAL  12          2HG2      VAL  12  -6.234   5.420  -4.842
   81   2HG2  VAL  12          1HG2      VAL  12  -4.958   5.931  -3.741
   82   3HG2  VAL  12          3HG2      VAL  12  -5.746   7.108  -4.790
   83    H    HIS  13           H        HIS  13  -3.162   4.621  -7.875
   84    HA   HIS  13           HA       HIS  13  -1.657   4.550  -9.656
   85   1HB   HIS  13          2HB       HIS  13  -3.005   7.029 -10.849
   86   2HB   HIS  13          1HB       HIS  13  -2.006   5.848 -11.656
   87    HD1  HIS  13           HD1      HIS  13  -4.345   5.877 -13.105
   88    HD2  HIS  13           HD2      HIS  13  -4.505   3.822  -9.579
   89    HE1  HIS  13           HE1      HIS  13  -6.284   4.365 -13.261
   90    H    HIS  14           H        HIS  14  -2.234   7.457  -7.828
   91    HA   HIS  14           HA       HIS  14   0.185   8.833  -8.575
   92   1HB   HIS  14          2HB       HIS  14  -1.817   9.200  -6.324
   93   2HB   HIS  14          1HB       HIS  14  -0.348  10.169  -6.387
   94    HD1  HIS  14           HD1      HIS  14  -0.578  12.190  -7.910
   95    HD2  HIS  14           HD2      HIS  14  -3.339   9.340  -8.760
   96    HE1  HIS  14           HE1      HIS  14  -2.046  13.169  -9.641
   97    H    GLN  15           H        GLN  15  -0.414   8.312  -5.197
   98    HA   GLN  15           HA       GLN  15   2.248   7.476  -4.533
   99   1HB   GLN  15          2HB       GLN  15  -0.210   6.655  -2.920
  100   2HB   GLN  15          1HB       GLN  15   1.393   7.021  -2.322
  101   1HG   GLN  15          2HG       GLN  15   0.435   9.040  -1.771
  102   2HG   GLN  15          1HG       GLN  15   0.807   9.445  -3.438
  103   1HE2  GLN  15          2HE2      GLN  15  -3.081   8.398  -2.555
  104   2HE2  GLN  15          1HE2      GLN  15  -1.814   7.650  -1.708
  105    H    GLU  16           H        GLU  16  -0.523   5.845  -5.637
  106    HA   GLU  16           HA       GLU  16  -0.102   3.181  -4.983
  107   1HB   GLU  16          2HB       GLU  16  -2.007   4.177  -6.261
  108   2HB   GLU  16          1HB       GLU  16  -0.957   4.234  -7.667
  109   1HG   GLU  16          2HG       GLU  16  -0.707   1.859  -7.713
  110   2HG   GLU  16          1HG       GLU  16  -1.463   1.671  -6.139
  111    H    LEU  17           H        LEU  17   1.275   5.047  -7.668
  112    HA   LEU  17           HA       LEU  17   2.940   2.827  -8.454
  113   1HB   LEU  17          2HB       LEU  17   3.458   4.127 -10.376
  114   2HB   LEU  17          1HB       LEU  17   1.939   4.847  -9.922
  115    HG   LEU  17           HG       LEU  17   3.657   6.344  -8.411
  116   1HD1  LEU  17          2HD1      LEU  17   5.615   5.095  -9.584
  117   2HD1  LEU  17          1HD1      LEU  17   5.171   5.981 -11.028
  118   3HD1  LEU  17          3HD1      LEU  17   5.698   6.845  -9.594
  119   1HD2  LEU  17          2HD2      LEU  17   2.442   6.760 -11.126
  120   2HD2  LEU  17          1HD2      LEU  17   2.200   7.669  -9.644
  121   3HD2  LEU  17          3HD2      LEU  17   3.635   7.934 -10.605
  122    H    VAL  18           H        VAL  18   3.261   5.437  -6.322
  123    HA   VAL  18           HA       VAL  18   6.156   5.474  -6.267
  124    HB   VAL  18           HB       VAL  18   4.123   6.337  -4.155
  125   1HG1  VAL  18          2HG1      VAL  18   7.110   6.827  -4.478
  126   2HG1  VAL  18          1HG1      VAL  18   6.088   7.909  -3.540
  127   3HG1  VAL  18          3HG1      VAL  18   6.254   6.231  -3.065
  128   1HG2  VAL  18          3HG2      VAL  18   5.465   7.688  -6.528
  129   2HG2  VAL  18          2HG2      VAL  18   3.752   7.412  -6.303
  130   3HG2  VAL  18          1HG2      VAL  18   4.579   8.586  -5.291
  131    H    PHE  19           H        PHE  19   3.749   3.403  -5.141
  132    HA   PHE  19           HA       PHE  19   5.231   2.238  -2.931
  133   1HB   PHE  19          2HB       PHE  19   2.923   1.028  -4.530
  134   2HB   PHE  19          1HB       PHE  19   3.459   0.503  -2.948
  135    HD1  PHE  19           HD1      PHE  19   3.867   3.606  -2.053
  136    HD2  PHE  19           HD2      PHE  19   0.663   1.308  -3.669
  137    HE1  PHE  19           HE1      PHE  19   2.256   5.111  -0.985
  138    HE2  PHE  19           HE2      PHE  19  -0.953   2.822  -2.595
  139    HZ   PHE  19           HZ       PHE  19  -0.158   4.726  -1.256
  140    H    PHE  20           H        PHE  20   5.282   2.087  -6.250
  141    HA   PHE  20           HA       PHE  20   6.644  -0.558  -6.437
  142   1HB   PHE  20          2HB       PHE  20   5.081  -0.379  -8.212
  143   2HB   PHE  20          1HB       PHE  20   5.274   1.351  -8.358
  144    HD1  PHE  20           HD2      PHE  20   7.067  -1.871  -8.963
  145    HD2  PHE  20           HD1      PHE  20   6.780   2.262  -9.967
  146    HE1  PHE  20           HE2      PHE  20   8.691  -2.195 -10.773
  147    HE2  PHE  20           HE1      PHE  20   8.403   1.933 -11.777
  148    HZ   PHE  20           HZ       PHE  20   9.362  -0.295 -12.183
  149    H    ALA  21           H        ALA  21   6.948   2.845  -7.212
  150    HA   ALA  21           HA       ALA  21   9.692   2.889  -7.951
  151   1HB   ALA  21          3HB       ALA  21   7.833   4.747  -8.199
  152   2HB   ALA  21          2HB       ALA  21   8.314   5.222  -6.579
  153   3HB   ALA  21          1HB       ALA  21   9.482   5.260  -7.888
  154    H    GLU  22           H        GLU  22   8.065   2.472  -5.008
  155    HA   GLU  22           HA       GLU  22   9.997   3.514  -3.174
  156   1HB   GLU  22          2HB       GLU  22   7.899   3.101  -2.174
  157   2HB   GLU  22          1HB       GLU  22   7.644   1.627  -3.070
  158   1HG   GLU  22          2HG       GLU  22   9.805   1.710  -0.937
  159   2HG   GLU  22          1HG       GLU  22   8.127   1.563  -0.455
  160    H    ASP  23           H        ASP  23   9.360   0.402  -4.584
  161    HA   ASP  23           HA       ASP  23  11.540  -1.071  -3.417
  162   1HB   ASP  23          2HB       ASP  23  10.120  -1.561  -6.076
  163   2HB   ASP  23          1HB       ASP  23  11.016  -2.754  -5.145
  164    H    VAL  24           H        VAL  24  11.069   0.512  -6.496
  165    HA   VAL  24           HA       VAL  24  13.636   0.069  -7.645
  166    HB   VAL  24           HB       VAL  24  11.783   2.471  -8.039
  167   1HG1  VAL  24          3HG1      VAL  24  14.089   1.379  -9.691
  168   2HG1  VAL  24          2HG1      VAL  24  12.856   2.418 -10.388
  169   3HG1  VAL  24          1HG1      VAL  24  13.868   3.014  -9.088
  170   1HG2  VAL  24          1HG2      VAL  24  10.758   0.117  -8.431
  171   2HG2  VAL  24          3HG2      VAL  24  10.702   1.212  -9.797
  172   3HG2  VAL  24          2HG2      VAL  24  11.913  -0.059  -9.738
  173    H    GLY  25           H        GLY  25  12.598   2.157  -5.144
  174   1HA   GLY  25          2HA       GLY  25  13.768   3.549  -3.682
  175   2HA   GLY  25          1HA       GLY  25  15.263   2.920  -4.377
  176    H    SER  26           H        SER  26  12.560   4.650  -5.761
  177    HA   SER  26           HA       SER  26  12.405   6.480  -7.182
  178   1HB   SER  26          2HB       SER  26  13.158   8.553  -6.121
  179   2HB   SER  26          1HB       SER  26  12.809   7.443  -4.793
  180    HG   SER  26           HG       SER  26  14.821   7.536  -4.284
  181    H    ASN  27           H        ASN  27  14.480   4.548  -7.832
  182    HA   ASN  27           HA       ASN  27  16.227   4.213  -9.328
  183   1HB   ASN  27          2HB       ASN  27  15.206   6.878 -10.456
  184   2HB   ASN  27          1HB       ASN  27  16.193   5.714 -11.324
  185   1HD2  ASN  27          2HD2      ASN  27  12.232   4.878 -10.634
  186   2HD2  ASN  27          1HD2      ASN  27  13.018   6.044  -9.684
  187    H    LYS  28           H        LYS  28  17.380   4.777  -7.210
  188    HA   LYS  28           HA       LYS  28  18.803   7.195  -6.831
  189   1HB   LYS  28          2HB       LYS  28  19.368   4.329  -6.016
  190   2HB   LYS  28          1HB       LYS  28  20.476   5.612  -5.584
  191   1HG   LYS  28          2HG       LYS  28  19.118   6.442  -3.957
  192   2HG   LYS  28          1HG       LYS  28  17.690   6.353  -4.957
  193   1HD   LYS  28          2HD       LYS  28  17.229   4.799  -3.233
  194   2HD   LYS  28          1HD       LYS  28  17.773   3.772  -4.541
  195   1HE   LYS  28          2HE       LYS  28  19.000   2.990  -2.652
  196   2HE   LYS  28          1HE       LYS  28  20.160   4.022  -3.475
  197   1HZ   LYS  28          3HZ       LYS  28  18.630   5.602  -1.743
  198   2HZ   LYS  28          2HZ       LYS  28  19.184   4.247  -0.881
  199   3HZ   LYS  28          1HZ       LYS  28  20.291   5.257  -1.678
   
  No H/Q in entry =         199
  Start of MODEL   12
    1   1H    ASP   1          1H        ASP   1 -17.674  -7.380   5.676
    2   2H    ASP   1          3H        ASP   1 -18.598  -6.389   6.698
    3   3H    ASP   1          2H        ASP   1 -18.565  -6.089   5.029
    4    HA   ASP   1           HA       ASP   1 -16.857  -4.755   5.246
    5   1HB   ASP   1          2HB       ASP   1 -16.917  -5.588   8.188
    6   2HB   ASP   1          1HB       ASP   1 -16.013  -4.218   7.564
    7    H    ALA   2           H        ALA   2 -14.659  -4.748   5.037
    8    HA   ALA   2           HA       ALA   2 -12.982  -6.955   6.000
    9   1HB   ALA   2          1HB       ALA   2 -13.774  -6.573   3.081
   10   2HB   ALA   2          3HB       ALA   2 -12.277  -7.392   3.489
   11   3HB   ALA   2          2HB       ALA   2 -13.812  -8.053   4.019
   12    H    GLU   3           H        GLU   3 -11.881  -5.476   3.155
   13    HA   GLU   3           HA       GLU   3 -10.938  -2.970   4.168
   14   1HB   GLU   3          2HB       GLU   3  -8.465  -3.584   4.249
   15   2HB   GLU   3          1HB       GLU   3  -9.375  -4.390   5.496
   16   1HG   GLU   3          2HG       GLU   3  -9.204  -5.931   2.930
   17   2HG   GLU   3          1HG       GLU   3  -7.664  -5.653   3.714
   18    H    PHE   4           H        PHE   4 -12.189  -4.245   1.922
   19    HA   PHE   4           HA       PHE   4 -10.553  -4.416  -0.367
   20   1HB   PHE   4          2HB       PHE   4 -13.468  -3.889   0.135
   21   2HB   PHE   4          1HB       PHE   4 -12.868  -3.538  -1.480
   22    HD1  PHE   4           HD2      PHE   4 -12.757  -6.212   1.141
   23    HD2  PHE   4           HD1      PHE   4 -12.647  -5.315  -3.024
   24    HE1  PHE   4           HE2      PHE   4 -12.782  -8.610   0.623
   25    HE2  PHE   4           HE1      PHE   4 -12.671  -7.714  -3.537
   26    HZ   PHE   4           HZ       PHE   4 -12.737  -9.365  -1.717
   27    H    ARG   5           H        ARG   5 -12.566  -1.601   0.492
   28    HA   ARG   5           HA       ARG   5 -11.025   0.061  -1.324
   29   1HB   ARG   5          2HB       ARG   5 -12.544   1.887  -0.559
   30   2HB   ARG   5          1HB       ARG   5 -13.418   0.454  -1.016
   31   1HG   ARG   5          2HG       ARG   5 -14.492   1.004   0.976
   32   2HG   ARG   5          1HG       ARG   5 -13.348  -0.194   1.529
   33   1HD   ARG   5          2HD       ARG   5 -13.403   1.846   2.986
   34   2HD   ARG   5          1HD       ARG   5 -11.818   1.570   2.303
   35    HE   ARG   5           HE       ARG   5 -12.041   3.484   0.969
   36   1HH1  ARG   5          2HH1      ARG   5 -15.044   2.688   2.520
   37   2HH1  ARG   5          1HH1      ARG   5 -15.787   4.193   2.099
   38   1HH2  ARG   5          1HH2      ARG   5 -12.968   5.393   0.431
   39   2HH2  ARG   5          2HH2      ARG   5 -14.598   5.747   0.897
   40    H    HIS   6           H        HIS   6  -9.801  -1.137   1.104
   41    HA   HIS   6           HA       HIS   6  -8.596   1.277   2.304
   42   1HB   HIS   6          2HB       HIS   6  -8.425  -1.594   3.330
   43   2HB   HIS   6          1HB       HIS   6  -7.818  -0.168   4.141
   44    HD1  HIS   6           HD1      HIS   6  -9.388   0.150   6.042
   45    HD2  HIS   6           HD2      HIS   6 -11.458  -0.737   2.652
   46    HE1  HIS   6           HE1      HIS   6 -11.777   0.320   6.632
   47    H    ASP   7           H        ASP   7  -7.794  -2.001   1.303
   48    HA   ASP   7           HA       ASP   7  -5.576  -1.227  -0.347
   49   1HB   ASP   7          2HB       ASP   7  -3.873  -2.535   1.122
   50   2HB   ASP   7          1HB       ASP   7  -4.377  -0.973   1.739
   51    H    SER   8           H        SER   8  -7.945  -2.765  -0.650
   52    HA   SER   8           HA       SER   8  -6.784  -5.150  -1.864
   53   1HB   SER   8          2HB       SER   8  -7.205  -5.773   0.626
   54   2HB   SER   8          1HB       SER   8  -8.932  -5.613   0.291
   55    HG   SER   8           HG       SER   8  -8.835  -7.445  -0.687
   56    H    GLY   9           H        GLY   9  -8.227  -2.842  -2.718
   57   1HA   GLY   9          2HA       GLY   9  -9.920  -3.951  -4.700
   58   2HA   GLY   9          1HA       GLY   9 -10.951  -3.380  -3.384
   59    H    TYR  10           H        TYR  10  -9.114  -1.267  -2.669
   60    HA   TYR  10           HA       TYR  10 -10.161   0.868  -4.216
   61   1HB   TYR  10          2HB       TYR  10  -9.097   2.249  -2.645
   62   2HB   TYR  10          1HB       TYR  10  -9.071   0.743  -1.750
   63    HD1  TYR  10           HD2      TYR  10  -6.955  -0.840  -2.531
   64    HD2  TYR  10           HD1      TYR  10  -7.036   3.422  -2.587
   65    HE1  TYR  10           HE2      TYR  10  -4.522  -0.795  -2.430
   66    HE2  TYR  10           HE1      TYR  10  -4.598   3.457  -2.484
   67    HH   TYR  10           HH       TYR  10  -2.687   1.398  -3.295
   68    H    GLU  11           H        GLU  11  -8.639   2.602  -5.008
   69    HA   GLU  11           HA       GLU  11  -6.276   1.743  -6.504
   70   1HB   GLU  11          2HB       GLU  11  -7.195   2.418  -8.707
   71   2HB   GLU  11          1HB       GLU  11  -8.201   1.151  -8.046
   72   1HG   GLU  11          2HG       GLU  11  -9.933   2.725  -7.404
   73   2HG   GLU  11          1HG       GLU  11  -8.909   4.108  -7.753
   74    H    VAL  12           H        VAL  12  -5.039   3.502  -7.114
   75    HA   VAL  12           HA       VAL  12  -6.006   6.191  -6.315
   76    HB   VAL  12           HB       VAL  12  -3.840   4.515  -5.054
   77   1HG1  VAL  12          1HG1      VAL  12  -3.542   7.477  -5.535
   78   2HG1  VAL  12          3HG1      VAL  12  -2.911   6.752  -4.063
   79   3HG1  VAL  12          2HG1      VAL  12  -2.323   6.203  -5.616
   80   1HG2  VAL  12          1HG2      VAL  12  -5.780   6.649  -4.115
   81   2HG2  VAL  12          3HG2      VAL  12  -5.953   4.912  -3.924
   82   3HG2  VAL  12          2HG2      VAL  12  -4.690   5.768  -3.049
   83    H    HIS  13           H        HIS  13  -3.269   4.436  -7.673
   84    HA   HIS  13           HA       HIS  13  -2.051   4.774  -9.623
   85   1HB   HIS  13          2HB       HIS  13  -3.962   7.080 -10.299
   86   2HB   HIS  13          1HB       HIS  13  -2.893   6.229 -11.382
   87    HD1  HIS  13           HD1      HIS  13  -5.057   5.633 -12.718
   88    HD2  HIS  13           HD2      HIS  13  -4.954   3.808  -9.064
   89    HE1  HIS  13           HE1      HIS  13  -6.750   3.844 -12.776
   90    H    HIS  14           H        HIS  14  -2.337   7.061  -7.196
   91    HA   HIS  14           HA       HIS  14  -0.285   8.873  -8.279
   92   1HB   HIS  14          2HB       HIS  14  -2.055   8.980  -5.786
   93   2HB   HIS  14          1HB       HIS  14  -0.664  10.038  -5.956
   94    HD1  HIS  14           HD1      HIS  14  -1.233  12.159  -7.185
   95    HD2  HIS  14           HD2      HIS  14  -3.801   9.162  -8.146
   96    HE1  HIS  14           HE1      HIS  14  -2.907  13.163  -8.697
   97    H    GLN  15           H        GLN  15  -0.493   8.137  -4.907
   98    HA   GLN  15           HA       GLN  15   2.219   7.369  -4.542
   99   1HB   GLN  15          2HB       GLN  15  -0.206   6.566  -2.869
  100   2HB   GLN  15          1HB       GLN  15   1.462   6.519  -2.324
  101   1HG   GLN  15          2HG       GLN  15   1.667   8.936  -2.436
  102   2HG   GLN  15          1HG       GLN  15   0.106   9.096  -3.231
  103   1HE2  GLN  15          2HE2      GLN  15  -1.777   8.532  -0.243
  104   2HE2  GLN  15          1HE2      GLN  15  -1.836   8.382  -1.933
  105    H    GLU  16           H        GLU  16  -0.499   5.675  -5.627
  106    HA   GLU  16           HA       GLU  16  -0.042   3.000  -5.145
  107   1HB   GLU  16          2HB       GLU  16  -1.981   3.919  -6.303
  108   2HB   GLU  16          1HB       GLU  16  -0.980   4.294  -7.698
  109   1HG   GLU  16          2HG       GLU  16  -0.513   1.949  -8.088
  110   2HG   GLU  16          1HG       GLU  16  -1.274   1.489  -6.574
  111    H    LEU  17           H        LEU  17   1.376   4.999  -7.669
  112    HA   LEU  17           HA       LEU  17   3.044   2.799  -8.593
  113   1HB   LEU  17          2HB       LEU  17   3.604   5.603  -9.565
  114   2HB   LEU  17          1HB       LEU  17   3.530   4.126 -10.499
  115    HG   LEU  17           HG       LEU  17   1.126   5.562  -9.343
  116   1HD1  LEU  17          3HD1      LEU  17   2.336   5.598 -12.140
  117   2HD1  LEU  17          2HD1      LEU  17   0.717   6.182 -11.796
  118   3HD1  LEU  17          1HD1      LEU  17   2.105   6.967 -11.065
  119   1HD2  LEU  17          1HD2      LEU  17   1.339   3.265 -11.356
  120   2HD2  LEU  17          3HD2      LEU  17   0.709   3.134  -9.724
  121   3HD2  LEU  17          2HD2      LEU  17  -0.162   4.068 -10.925
  122    H    VAL  18           H        VAL  18   3.220   5.455  -6.534
  123    HA   VAL  18           HA       VAL  18   6.110   5.679  -6.461
  124    HB   VAL  18           HB       VAL  18   4.087   6.375  -4.282
  125   1HG1  VAL  18          2HG1      VAL  18   6.968   7.188  -4.825
  126   2HG1  VAL  18          1HG1      VAL  18   5.912   8.079  -3.729
  127   3HG1  VAL  18          3HG1      VAL  18   6.328   6.413  -3.392
  128   1HG2  VAL  18          2HG2      VAL  18   5.188   7.896  -6.685
  129   2HG2  VAL  18          1HG2      VAL  18   3.532   7.379  -6.465
  130   3HG2  VAL  18          3HG2      VAL  18   4.190   8.632  -5.427
  131    H    PHE  19           H        PHE  19   3.836   3.430  -5.347
  132    HA   PHE  19           HA       PHE  19   5.399   2.392  -3.136
  133   1HB   PHE  19          2HB       PHE  19   3.206   1.007  -4.769
  134   2HB   PHE  19          1HB       PHE  19   3.797   0.467  -3.212
  135    HD1  PHE  19           HD2      PHE  19   3.934   3.443  -2.075
  136    HD2  PHE  19           HD1      PHE  19   0.922   1.144  -4.007
  137    HE1  PHE  19           HE2      PHE  19   2.214   4.766  -0.943
  138    HE2  PHE  19           HE1      PHE  19  -0.806   2.473  -2.870
  139    HZ   PHE  19           HZ       PHE  19  -0.165   4.286  -1.341
  140    H    PHE  20           H        PHE  20   5.265   2.162  -6.481
  141    HA   PHE  20           HA       PHE  20   6.819  -0.338  -6.758
  142   1HB   PHE  20          2HB       PHE  20   5.535  -0.206  -8.675
  143   2HB   PHE  20          1HB       PHE  20   5.259   1.501  -8.502
  144    HD1  PHE  20           HD1      PHE  20   7.960  -0.906  -9.480
  145    HD2  PHE  20           HD2      PHE  20   6.309   2.986 -10.040
  146    HE1  PHE  20           HE1      PHE  20   9.567  -0.478 -11.283
  147    HE2  PHE  20           HE2      PHE  20   7.917   3.406 -11.838
  148    HZ   PHE  20           HZ       PHE  20   9.550   1.678 -12.466
  149    H    ALA  21           H        ALA  21   7.156   3.114  -7.286
  150    HA   ALA  21           HA       ALA  21   9.923   3.155  -7.941
  151   1HB   ALA  21          3HB       ALA  21   8.240   5.091  -8.195
  152   2HB   ALA  21          2HB       ALA  21   8.393   5.348  -6.463
  153   3HB   ALA  21          1HB       ALA  21   9.788   5.560  -7.510
  154    H    GLU  22           H        GLU  22   8.149   2.892  -5.004
  155    HA   GLU  22           HA       GLU  22  10.204   3.599  -3.171
  156   1HB   GLU  22          2HB       GLU  22   7.602   2.154  -3.041
  157   2HB   GLU  22          1HB       GLU  22   8.720   1.688  -1.782
  158   1HG   GLU  22          2HG       GLU  22   8.753   3.811  -0.801
  159   2HG   GLU  22          1HG       GLU  22   8.336   4.635  -2.294
  160    H    ASP  23           H        ASP  23   9.276   0.600  -4.638
  161    HA   ASP  23           HA       ASP  23  11.171  -1.121  -3.324
  162   1HB   ASP  23          2HB       ASP  23   9.505  -1.310  -5.856
  163   2HB   ASP  23          1HB       ASP  23  10.720  -2.534  -5.536
  164    H    VAL  24           H        VAL  24  11.155   0.512  -6.424
  165    HA   VAL  24           HA       VAL  24  13.647  -0.255  -7.464
  166    HB   VAL  24           HB       VAL  24  12.213   2.445  -7.676
  167   1HG1  VAL  24          1HG1      VAL  24  14.567   1.337  -9.260
  168   2HG1  VAL  24          3HG1      VAL  24  13.560   2.652  -9.846
  169   3HG1  VAL  24          2HG1      VAL  24  14.491   2.852  -8.376
  170   1HG2  VAL  24          1HG2      VAL  24  10.989   0.359  -8.510
  171   2HG2  VAL  24          3HG2      VAL  24  11.280   1.572  -9.742
  172   3HG2  VAL  24          2HG2      VAL  24  12.290   0.138  -9.667
  173    H    GLY  25           H        GLY  25  12.937   2.567  -5.446
  174   1HA   GLY  25          2HA       GLY  25  14.483   2.908  -3.476
  175   2HA   GLY  25          1HA       GLY  25  15.812   2.721  -4.617
  176    H    SER  26           H        SER  26  12.895   4.337  -5.521
  177    HA   SER  26           HA       SER  26  12.548   6.439  -6.430
  178   1HB   SER  26          2HB       SER  26  13.744   7.153  -3.703
  179   2HB   SER  26          1HB       SER  26  12.683   8.200  -4.663
  180    HG   SER  26           HG       SER  26  11.082   7.072  -3.965
  181    H    ASN  27           H        ASN  27  15.303   5.359  -6.960
  182    HA   ASN  27           HA       ASN  27  17.312   6.003  -7.888
  183   1HB   ASN  27          2HB       ASN  27  15.258   7.150  -9.302
  184   2HB   ASN  27          1HB       ASN  27  16.143   8.602  -8.876
  185   1HD2  ASN  27          2HD2      ASN  27  19.162   7.112 -10.567
  186   2HD2  ASN  27          1HD2      ASN  27  18.818   7.526  -8.957
  187    H    LYS  28           H        LYS  28  16.851   6.905  -5.148
  188    HA   LYS  28           HA       LYS  28  18.326   9.475  -5.010
  189   1HB   LYS  28          2HB       LYS  28  17.625   9.527  -2.672
  190   2HB   LYS  28          1HB       LYS  28  16.243   9.184  -3.684
  191   1HG   LYS  28          2HG       LYS  28  15.869   7.475  -2.200
  192   2HG   LYS  28          1HG       LYS  28  17.040   6.620  -3.177
  193   1HD   LYS  28          2HD       LYS  28  18.761   7.894  -1.501
  194   2HD   LYS  28          1HD       LYS  28  17.354   7.829  -0.458
  195   1HE   LYS  28          2HE       LYS  28  17.239   5.390  -0.685
  196   2HE   LYS  28          1HE       LYS  28  18.525   5.401  -1.886
  197   1HZ   LYS  28          3HZ       LYS  28  19.430   6.758   0.379
  198   2HZ   LYS  28          2HZ       LYS  28  18.754   5.284   0.882
  199   3HZ   LYS  28          1HZ       LYS  28  19.991   5.298  -0.281
   
  No H/Q in entry =         199
  Start of MODEL   13
    1   1H    ASP   1          3H        ASP   1 -12.569   8.777   4.379
    2   2H    ASP   1          2H        ASP   1 -13.634   7.962   5.418
    3   3H    ASP   1          1H        ASP   1 -12.163   7.241   4.977
    4    HA   ASP   1           HA       ASP   1 -13.072   6.297   3.253
    5   1HB   ASP   1          2HB       ASP   1 -15.162   5.902   4.249
    6   2HB   ASP   1          1HB       ASP   1 -15.433   7.591   4.605
    7    H    ALA   2           H        ALA   2 -13.977   6.619   1.081
    8    HA   ALA   2           HA       ALA   2 -13.591   9.386   0.037
    9   1HB   ALA   2          1HB       ALA   2 -11.628   7.835  -0.514
   10   2HB   ALA   2          3HB       ALA   2 -12.758   6.812  -1.384
   11   3HB   ALA   2          2HB       ALA   2 -12.460   8.445  -1.937
   12    H    GLU   3           H        GLU   3 -15.371   6.495  -0.034
   13    HA   GLU   3           HA       GLU   3 -17.189   5.765  -1.307
   14   1HB   GLU   3          2HB       GLU   3 -19.076   7.156  -0.841
   15   2HB   GLU   3          1HB       GLU   3 -17.952   7.417   0.464
   16   1HG   GLU   3          2HG       GLU   3 -17.549   9.403  -1.696
   17   2HG   GLU   3          1HG       GLU   3 -19.190   9.392  -1.113
   18    H    PHE   4           H        PHE   4 -15.087   6.768  -2.869
   19    HA   PHE   4           HA       PHE   4 -16.499   7.654  -5.337
   20   1HB   PHE   4          2HB       PHE   4 -14.984   9.449  -4.515
   21   2HB   PHE   4          1HB       PHE   4 -13.669   8.297  -4.339
   22    HD1  PHE   4           HD2      PHE   4 -16.091   9.401  -7.013
   23    HD2  PHE   4           HD1      PHE   4 -12.095   8.274  -6.058
   24    HE1  PHE   4           HE2      PHE   4 -15.417   9.813  -9.335
   25    HE2  PHE   4           HE1      PHE   4 -11.423   8.687  -8.385
   26    HZ   PHE   4           HZ       PHE   4 -13.085   9.456 -10.026
   27    H    ARG   5           H        ARG   5 -16.901   5.575  -5.516
   28    HA   ARG   5           HA       ARG   5 -16.749   3.679  -6.898
   29   1HB   ARG   5          2HB       ARG   5 -14.513   4.728  -7.868
   30   2HB   ARG   5          1HB       ARG   5 -13.705   3.698  -6.699
   31   1HG   ARG   5          2HG       ARG   5 -15.574   1.957  -7.732
   32   2HG   ARG   5          1HG       ARG   5 -15.308   2.994  -9.113
   33   1HD   ARG   5          2HD       ARG   5 -13.289   1.974  -9.537
   34   2HD   ARG   5          1HD       ARG   5 -12.748   2.199  -7.874
   35    HE   ARG   5           HE       ARG   5 -14.622   0.142  -7.758
   36   1HH1  ARG   5          1HH2      ARG   5 -11.602   0.788  -9.329
   37   2HH1  ARG   5          2HH2      ARG   5 -11.126  -0.876  -9.354
   38   1HH2  ARG   5          2HH1      ARG   5 -14.040  -1.973  -7.775
   39   2HH2  ARG   5          1HH1      ARG   5 -12.525  -2.465  -8.455
   40    H    HIS   6           H        HIS   6 -17.448   3.654  -4.565
   41    HA   HIS   6           HA       HIS   6 -17.692   2.453  -2.588
   42   1HB   HIS   6          2HB       HIS   6 -17.415   0.578  -4.525
   43   2HB   HIS   6          1HB       HIS   6 -15.898   0.244  -3.704
   44    HD1  HIS   6           HD1      HIS   6 -16.224  -1.366  -1.814
   45    HD2  HIS   6           HD2      HIS   6 -19.682   0.678  -2.531
   46    HE1  HIS   6           HE1      HIS   6 -17.905  -2.286  -0.259
   47    H    ASP   7           H        ASP   7 -15.907   4.385  -2.609
   48    HA   ASP   7           HA       ASP   7 -14.293   5.301  -1.228
   49   1HB   ASP   7          2HB       ASP   7 -15.027   3.170   0.276
   50   2HB   ASP   7          1HB       ASP   7 -13.427   2.595  -0.139
   51    H    SER   8           H        SER   8 -13.827   4.542  -3.889
   52    HA   SER   8           HA       SER   8 -12.113   4.456  -5.432
   53   1HB   SER   8          2HB       SER   8 -10.321   4.975  -2.969
   54   2HB   SER   8          1HB       SER   8  -9.808   5.104  -4.653
   55    HG   SER   8           HG       SER   8 -10.767   6.946  -4.717
   56    H    GLY   9           H        GLY   9 -12.874   2.384  -5.613
   57   1HA   GLY   9          2HA       GLY   9 -11.547   0.085  -4.431
   58   2HA   GLY   9          1HA       GLY   9 -12.669   0.048  -5.792
   59    H    TYR  10           H        TYR  10 -10.851   2.233  -6.969
   60    HA   TYR  10           HA       TYR  10  -9.273   0.457  -8.600
   61   1HB   TYR  10          2HB       TYR  10  -8.525   2.571  -9.698
   62   2HB   TYR  10          1HB       TYR  10 -10.268   2.416  -9.587
   63    HD1  TYR  10           HD1      TYR  10 -11.556   3.841  -8.049
   64    HD2  TYR  10           HD2      TYR  10  -7.357   4.339  -8.459
   65    HE1  TYR  10           HE1      TYR  10 -11.717   6.033  -6.976
   66    HE2  TYR  10           HE2      TYR  10  -7.527   6.541  -7.380
   67    HH   TYR  10           HH       TYR  10  -9.588   7.537  -5.556
   68    H    GLU  11           H        GLU  11  -6.969   0.977  -9.041
   69    HA   GLU  11           HA       GLU  11  -5.467   0.711  -6.588
   70   1HB   GLU  11          2HB       GLU  11  -3.529   0.368  -8.227
   71   2HB   GLU  11          1HB       GLU  11  -4.888  -0.689  -8.484
   72   1HG   GLU  11          2HG       GLU  11  -5.026   0.007 -10.626
   73   2HG   GLU  11          1HG       GLU  11  -5.477   1.605 -10.082
   74    H    VAL  12           H        VAL  12  -6.568   3.288  -7.008
   75    HA   VAL  12           HA       VAL  12  -6.084   5.430  -6.306
   76    HB   VAL  12           HB       VAL  12  -3.252   4.358  -5.904
   77   1HG1  VAL  12          2HG1      VAL  12  -4.608   6.972  -5.229
   78   2HG1  VAL  12          1HG1      VAL  12  -3.430   6.351  -4.101
   79   3HG1  VAL  12          3HG1      VAL  12  -2.950   6.692  -5.748
   80   1HG2  VAL  12          1HG2      VAL  12  -5.583   4.700  -4.001
   81   2HG2  VAL  12          3HG2      VAL  12  -4.931   3.163  -4.567
   82   3HG2  VAL  12          2HG2      VAL  12  -3.958   4.205  -3.534
   83    H    HIS  13           H        HIS  13  -3.355   4.262  -8.071
   84    HA   HIS  13           HA       HIS  13  -2.555   4.781 -10.232
   85   1HB   HIS  13          2HB       HIS  13  -4.323   7.286 -10.193
   86   2HB   HIS  13          1HB       HIS  13  -3.456   6.622 -11.553
   87    HD1  HIS  13           HD1      HIS  13  -5.978   6.548 -12.520
   88    HD2  HIS  13           HD2      HIS  13  -5.177   3.737  -9.670
   89    HE1  HIS  13           HE1      HIS  13  -7.731   4.826 -12.724
   90    H    HIS  14           H        HIS  14  -2.197   6.564  -7.418
   91    HA   HIS  14           HA       HIS  14   0.087   8.014  -8.598
   92   1HB   HIS  14          2HB       HIS  14  -0.337   9.483  -6.284
   93   2HB   HIS  14          1HB       HIS  14  -0.842   9.964  -7.877
   94    HD1  HIS  14           HD1      HIS  14  -2.285  10.384  -4.979
   95    HD2  HIS  14           HD2      HIS  14  -3.525   8.118  -8.102
   96    HE1  HIS  14           HE1      HIS  14  -4.731  10.164  -4.722
   97    H    GLN  15           H        GLN  15  -1.173   7.213  -5.427
   98    HA   GLN  15           HA       GLN  15   1.297   6.864  -4.111
   99   1HB   GLN  15          2HB       GLN  15  -1.489   5.771  -3.606
  100   2HB   GLN  15          1HB       GLN  15  -0.169   5.176  -2.630
  101   1HG   GLN  15          2HG       GLN  15  -1.087   7.026  -1.420
  102   2HG   GLN  15          1HG       GLN  15   0.440   7.584  -2.086
  103   1HE2  GLN  15          2HE2      GLN  15  -3.073   9.212  -3.395
  104   2HE2  GLN  15          1HE2      GLN  15  -3.082   7.847  -2.387
  105    H    GLU  16           H        GLU  16  -0.397   4.746  -6.224
  106    HA   GLU  16           HA       GLU  16   0.968   2.348  -5.502
  107   1HB   GLU  16          2HB       GLU  16  -1.009   2.140  -6.912
  108   2HB   GLU  16          1HB       GLU  16  -0.362   3.266  -8.092
  109   1HG   GLU  16          2HG       GLU  16   1.507   1.588  -8.563
  110   2HG   GLU  16          1HG       GLU  16   0.707   0.473  -7.480
  111    H    LEU  17           H        LEU  17   1.628   4.820  -7.862
  112    HA   LEU  17           HA       LEU  17   4.015   3.540  -8.779
  113   1HB   LEU  17          2HB       LEU  17   3.820   6.537  -9.094
  114   2HB   LEU  17          1HB       LEU  17   4.237   5.344 -10.304
  115    HG   LEU  17           HG       LEU  17   1.450   5.842  -9.219
  116   1HD1  LEU  17          3HD1      LEU  17   2.829   6.750 -11.774
  117   2HD1  LEU  17          2HD1      LEU  17   1.083   6.768 -11.598
  118   3HD1  LEU  17          1HD1      LEU  17   2.080   7.753 -10.543
  119   1HD2  LEU  17          3HD2      LEU  17   1.770   3.494 -10.061
  120   2HD2  LEU  17          2HD2      LEU  17   0.709   4.388 -11.129
  121   3HD2  LEU  17          1HD2      LEU  17   2.385   4.124 -11.578
  122    H    VAL  18           H        VAL  18   3.281   5.463  -6.212
  123    HA   VAL  18           HA       VAL  18   5.922   6.503  -5.634
  124    HB   VAL  18           HB       VAL  18   3.374   6.209  -4.019
  125   1HG1  VAL  18          2HG1      VAL  18   6.002   7.466  -3.216
  126   2HG1  VAL  18          1HG1      VAL  18   4.463   7.889  -2.464
  127   3HG1  VAL  18          3HG1      VAL  18   5.064   6.247  -2.363
  128   1HG2  VAL  18          1HG2      VAL  18   3.551   7.667  -6.074
  129   2HG2  VAL  18          3HG2      VAL  18   3.056   8.478  -4.596
  130   3HG2  VAL  18          2HG2      VAL  18   4.726   8.621  -5.191
  131    H    PHE  19           H        PHE  19   3.952   3.892  -4.460
  132    HA   PHE  19           HA       PHE  19   6.002   2.940  -2.677
  133   1HB   PHE  19          2HB       PHE  19   4.422   1.271  -2.054
  134   2HB   PHE  19          1HB       PHE  19   3.557   2.758  -2.299
  135    HD1  PHE  19           HD1      PHE  19   4.359   0.266  -5.074
  136    HD2  PHE  19           HD2      PHE  19   1.476   2.011  -2.464
  137    HE1  PHE  19           HE1      PHE  19   2.585  -0.937  -6.230
  138    HE2  PHE  19           HE2      PHE  19  -0.312   0.782  -3.627
  139    HZ   PHE  19           HZ       PHE  19   0.245  -0.688  -5.520
  140    H    PHE  20           H        PHE  20   5.206   2.656  -5.920
  141    HA   PHE  20           HA       PHE  20   6.602   0.127  -6.440
  142   1HB   PHE  20          2HB       PHE  20   4.721   0.901  -7.914
  143   2HB   PHE  20          1HB       PHE  20   5.662   2.329  -8.335
  144    HD1  PHE  20           HD1      PHE  20   5.561  -1.375  -8.590
  145    HD2  PHE  20           HD2      PHE  20   7.494   2.185  -9.916
  146    HE1  PHE  20           HE1      PHE  20   6.740  -2.656 -10.319
  147    HE2  PHE  20           HE2      PHE  20   8.670   0.899 -11.643
  148    HZ   PHE  20           HZ       PHE  20   8.296  -1.522 -11.848
  149    H    ALA  21           H        ALA  21   7.092   3.594  -6.652
  150    HA   ALA  21           HA       ALA  21   9.695   3.550  -7.828
  151   1HB   ALA  21          1HB       ALA  21   8.216   5.583  -6.081
  152   2HB   ALA  21          3HB       ALA  21   9.805   5.915  -6.745
  153   3HB   ALA  21          2HB       ALA  21   8.442   5.654  -7.819
  154    H    GLU  22           H        GLU  22   8.395   3.579  -4.603
  155    HA   GLU  22           HA       GLU  22  10.850   3.608  -3.178
  156   1HB   GLU  22          2HB       GLU  22   8.027   2.850  -2.576
  157   2HB   GLU  22          1HB       GLU  22   9.201   2.115  -1.520
  158   1HG   GLU  22          2HG       GLU  22   9.214   4.010  -0.295
  159   2HG   GLU  22          1HG       GLU  22  10.038   4.813  -1.608
  160    H    ASP  23           H        ASP  23   9.035   1.045  -4.626
  161    HA   ASP  23           HA       ASP  23  10.503  -1.184  -3.553
  162   1HB   ASP  23          2HB       ASP  23   8.727  -2.232  -4.530
  163   2HB   ASP  23          1HB       ASP  23   8.253  -0.755  -5.319
  164    H    VAL  24           H        VAL  24  10.672   0.465  -6.682
  165    HA   VAL  24           HA       VAL  24  12.807  -0.908  -7.859
  166    HB   VAL  24           HB       VAL  24  12.304   2.106  -8.064
  167   1HG1  VAL  24          2HG1      VAL  24  13.592   0.129 -10.000
  168   2HG1  VAL  24          1HG1      VAL  24  13.285   1.824 -10.345
  169   3HG1  VAL  24          3HG1      VAL  24  14.436   1.378  -9.099
  170   1HG2  VAL  24          3HG2      VAL  24  10.606  -0.131  -8.889
  171   2HG2  VAL  24          2HG2      VAL  24  10.299   1.592  -9.006
  172   3HG2  VAL  24          1HG2      VAL  24  11.139   0.762 -10.295
  173    H    GLY  25           H        GLY  25  12.961   1.983  -5.811
  174   1HA   GLY  25          2HA       GLY  25  14.605   2.577  -4.228
  175   2HA   GLY  25          1HA       GLY  25  15.531   1.144  -4.669
  176    H    SER  26           H        SER  26  14.276   3.663  -6.708
  177    HA   SER  26           HA       SER  26  17.026   4.630  -7.391
  178   1HB   SER  26          2HB       SER  26  16.216   4.792  -9.812
  179   2HB   SER  26          1HB       SER  26  16.243   3.120  -9.230
  180    HG   SER  26           HG       SER  26  14.142   4.624  -9.972
  181    H    ASN  27           H        ASN  27  13.647   5.152  -7.198
  182    HA   ASN  27           HA       ASN  27  13.954   8.126  -7.274
  183   1HB   ASN  27          2HB       ASN  27  11.186   7.486  -7.544
  184   2HB   ASN  27          1HB       ASN  27  12.252   8.061  -8.805
  185   1HD2  ASN  27          2HD2      ASN  27  11.669   3.990  -8.589
  186   2HD2  ASN  27          1HD2      ASN  27  11.736   4.889  -7.151
  187    H    LYS  28           H        LYS  28  13.172   5.392  -5.443
  188    HA   LYS  28           HA       LYS  28  12.427   5.038  -3.281
  189   1HB   LYS  28          2HB       LYS  28  13.244   7.951  -2.786
  190   2HB   LYS  28          1HB       LYS  28  13.245   6.642  -1.627
  191   1HG   LYS  28          2HG       LYS  28  15.055   6.752  -4.089
  192   2HG   LYS  28          1HG       LYS  28  15.532   7.246  -2.482
  193   1HD   LYS  28          2HD       LYS  28  15.237   4.994  -1.601
  194   2HD   LYS  28          1HD       LYS  28  14.516   4.442  -3.100
  195   1HE   LYS  28          2HE       LYS  28  16.827   3.717  -3.117
  196   2HE   LYS  28          1HE       LYS  28  16.702   5.029  -4.277
  197   1HZ   LYS  28          2HZ       LYS  28  17.244   6.120  -1.759
  198   2HZ   LYS  28          1HZ       LYS  28  18.343   4.855  -2.040
  199   3HZ   LYS  28          3HZ       LYS  28  18.213   6.131  -3.154
   
  No H/Q in entry =         199
  Start of MODEL   14
    1   1H    ASP   1          1H        ASP   1  -0.590  -8.028  10.101
    2   2H    ASP   1          3H        ASP   1  -1.233  -9.486   9.518
    3   3H    ASP   1          2H        ASP   1   0.404  -9.397   9.957
    4    HA   ASP   1           HA       ASP   1   0.975  -8.806   7.944
    5   1HB   ASP   1          2HB       ASP   1  -1.456 -10.003   7.546
    6   2HB   ASP   1          1HB       ASP   1  -1.837  -8.419   6.908
    7    H    ALA   2           H        ALA   2   1.193  -7.039   6.499
    8    HA   ALA   2           HA       ALA   2   0.948  -4.465   7.736
    9   1HB   ALA   2          1HB       ALA   2   1.612  -5.271   4.873
   10   2HB   ALA   2          3HB       ALA   2   1.757  -3.630   5.483
   11   3HB   ALA   2          2HB       ALA   2   2.751  -4.910   6.157
   12    H    GLU   3           H        GLU   3  -1.200  -6.311   5.887
   13    HA   GLU   3           HA       GLU   3  -3.285  -5.965   4.963
   14   1HB   GLU   3          2HB       GLU   3  -3.275  -3.672   6.983
   15   2HB   GLU   3          1HB       GLU   3  -4.716  -4.317   6.229
   16   1HG   GLU   3          2HG       GLU   3  -3.186  -6.549   7.221
   17   2HG   GLU   3          1HG       GLU   3  -3.212  -5.329   8.479
   18    H    PHE   4           H        PHE   4  -1.010  -4.590   3.975
   19    HA   PHE   4           HA       PHE   4  -1.447  -2.034   2.887
   20   1HB   PHE   4          2HB       PHE   4   0.677  -3.543   2.726
   21   2HB   PHE   4          1HB       PHE   4  -0.057  -4.191   1.265
   22    HD1  PHE   4           HD1      PHE   4   1.170  -1.100   2.898
   23    HD2  PHE   4           HD2      PHE   4  -0.200  -2.824  -0.753
   24    HE1  PHE   4           HE1      PHE   4   1.906   0.895   1.677
   25    HE2  PHE   4           HE2      PHE   4   0.539  -0.822  -1.969
   26    HZ   PHE   4           HZ       PHE   4   1.593   1.039  -0.752
   27    H    ARG   5           H        ARG   5  -2.493  -5.159   1.679
   28    HA   ARG   5           HA       ARG   5  -3.660  -4.078  -0.736
   29   1HB   ARG   5          2HB       ARG   5  -4.794  -6.452  -0.781
   30   2HB   ARG   5          1HB       ARG   5  -3.089  -6.278  -1.056
   31   1HG   ARG   5          2HG       ARG   5  -3.725  -6.585   1.837
   32   2HG   ARG   5          1HG       ARG   5  -4.348  -7.901   0.875
   33   1HD   ARG   5          2HD       ARG   5  -2.232  -8.739   1.109
   34   2HD   ARG   5          1HD       ARG   5  -1.888  -7.707  -0.264
   35    HE   ARG   5           HE       ARG   5  -0.613  -6.330   1.113
   36   1HH1  ARG   5          1HH2      ARG   5  -2.645  -8.383   3.039
   37   2HH1  ARG   5          2HH2      ARG   5  -1.874  -7.932   4.522
   38   1HH2  ARG   5          2HH1      ARG   5   0.361  -5.746   2.970
   39   2HH2  ARG   5          1HH1      ARG   5  -0.147  -6.418   4.484
   40    H    HIS   6           H        HIS   6  -4.551  -3.261   2.009
   41    HA   HIS   6           HA       HIS   6  -7.469  -3.327   1.515
   42   1HB   HIS   6          2HB       HIS   6  -6.295  -3.382   4.339
   43   2HB   HIS   6          1HB       HIS   6  -7.939  -3.748   3.849
   44    HD1  HIS   6           HD1      HIS   6  -5.241  -5.544   4.976
   45    HD2  HIS   6           HD2      HIS   6  -7.659  -6.107   1.742
   46    HE1  HIS   6           HE1      HIS   6  -5.011  -7.915   4.349
   47    H    ASP   7           H        ASP   7  -5.036  -1.826   3.564
   48    HA   ASP   7           HA       ASP   7  -6.421   0.733   3.501
   49   1HB   ASP   7          2HB       ASP   7  -4.457   1.431   5.052
   50   2HB   ASP   7          1HB       ASP   7  -5.456   0.122   5.646
   51    H    SER   8           H        SER   8  -4.796  -0.626   1.355
   52    HA   SER   8           HA       SER   8  -4.061   1.699  -0.148
   53   1HB   SER   8          2HB       SER   8  -2.039   1.425   1.534
   54   2HB   SER   8          1HB       SER   8  -1.645  -0.042   0.632
   55    HG   SER   8           HG       SER   8  -0.892   1.186  -0.868
   56    H    GLY   9           H        GLY   9  -5.490  -0.822  -0.165
   57   1HA   GLY   9          2HA       GLY   9  -4.271  -2.472  -2.289
   58   2HA   GLY   9          1HA       GLY   9  -5.821  -2.764  -1.498
   59    H    TYR  10           H        TYR  10  -6.996  -0.336  -1.806
   60    HA   TYR  10           HA       TYR  10  -8.240  -0.504  -4.327
   61   1HB   TYR  10          2HB       TYR  10  -9.086   1.829  -3.825
   62   2HB   TYR  10          1HB       TYR  10  -9.341   0.685  -2.515
   63    HD1  TYR  10           HD2      TYR  10  -7.820   0.750  -0.504
   64    HD2  TYR  10           HD1      TYR  10  -7.616   3.738  -3.538
   65    HE1  TYR  10           HE2      TYR  10  -6.570   2.206   1.009
   66    HE2  TYR  10           HE1      TYR  10  -6.368   5.190  -2.012
   67    HH   TYR  10           HH       TYR  10  -6.240   4.803   1.212
   68    H    GLU  11           H        GLU  11  -8.144   0.797  -6.167
   69    HA   GLU  11           HA       GLU  11  -5.438   1.559  -6.877
   70   1HB   GLU  11          2HB       GLU  11  -8.104   1.444  -8.318
   71   2HB   GLU  11          1HB       GLU  11  -6.816   2.373  -9.051
   72   1HG   GLU  11          2HG       GLU  11  -5.627  -0.124  -8.258
   73   2HG   GLU  11          1HG       GLU  11  -7.169  -0.522  -8.985
   74    H    VAL  12           H        VAL  12  -4.591   3.426  -7.181
   75    HA   VAL  12           HA       VAL  12  -6.133   5.908  -6.568
   76    HB   VAL  12           HB       VAL  12  -3.340   5.104  -5.675
   77   1HG1  VAL  12          1HG1      VAL  12  -3.737   7.640  -6.201
   78   2HG1  VAL  12          3HG1      VAL  12  -4.855   7.630  -4.853
   79   3HG1  VAL  12          2HG1      VAL  12  -3.158   7.266  -4.588
   80   1HG2  VAL  12          3HG2      VAL  12  -5.933   5.490  -4.179
   81   2HG2  VAL  12          2HG2      VAL  12  -4.974   4.017  -4.306
   82   3HG2  VAL  12          1HG2      VAL  12  -4.370   5.383  -3.377
   83    H    HIS  13           H        HIS  13  -3.101   4.683  -7.700
   84    HA   HIS  13           HA       HIS  13  -1.997   4.834  -9.755
   85   1HB   HIS  13          2HB       HIS  13  -3.984   7.080 -10.479
   86   2HB   HIS  13          1HB       HIS  13  -2.740   6.437 -11.511
   87    HD1  HIS  13           HD1      HIS  13  -4.508   5.515 -13.129
   88    HD2  HIS  13           HD2      HIS  13  -4.806   3.795  -9.437
   89    HE1  HIS  13           HE1      HIS  13  -5.977   3.552 -13.387
   90    H    HIS  14           H        HIS  14  -2.285   6.974  -7.294
   91    HA   HIS  14           HA       HIS  14  -0.211   8.837  -8.269
   92   1HB   HIS  14          2HB       HIS  14  -2.008   8.913  -5.790
   93   2HB   HIS  14          1HB       HIS  14  -0.757  10.106  -6.117
   94    HD1  HIS  14           HD1      HIS  14  -1.809  12.085  -7.272
   95    HD2  HIS  14           HD2      HIS  14  -3.718   8.635  -8.253
   96    HE1  HIS  14           HE1      HIS  14  -3.627  12.731  -8.815
   97    H    GLN  15           H        GLN  15  -0.594   8.073  -4.913
   98    HA   GLN  15           HA       GLN  15   2.085   7.305  -4.423
   99   1HB   GLN  15          2HB       GLN  15  -0.308   6.250  -2.859
  100   2HB   GLN  15          1HB       GLN  15   1.319   6.498  -2.266
  101   1HG   GLN  15          2HG       GLN  15   0.474   8.474  -1.455
  102   2HG   GLN  15          1HG       GLN  15   0.759   9.058  -3.085
  103   1HE2  GLN  15          2HE2      GLN  15  -2.652   9.707  -3.561
  104   2HE2  GLN  15          1HE2      GLN  15  -1.040  10.085  -3.928
  105    H    GLU  16           H        GLU  16  -0.562   5.570  -5.662
  106    HA   GLU  16           HA       GLU  16  -0.064   2.896  -5.236
  107   1HB   GLU  16          2HB       GLU  16  -1.984   3.633  -6.457
  108   2HB   GLU  16          1HB       GLU  16  -0.987   4.336  -7.721
  109   1HG   GLU  16          2HG       GLU  16  -0.174   2.076  -8.347
  110   2HG   GLU  16          1HG       GLU  16  -1.124   1.370  -7.053
  111    H    LEU  17           H        LEU  17   1.377   4.924  -7.728
  112    HA   LEU  17           HA       LEU  17   3.155   2.791  -8.562
  113   1HB   LEU  17          2HB       LEU  17   3.670   5.617  -9.502
  114   2HB   LEU  17          1HB       LEU  17   3.681   4.144 -10.445
  115    HG   LEU  17           HG       LEU  17   1.178   5.488  -9.382
  116   1HD1  LEU  17          3HD1      LEU  17   2.501   5.612 -12.125
  117   2HD1  LEU  17          2HD1      LEU  17   0.859   6.156 -11.821
  118   3HD1  LEU  17          1HD1      LEU  17   2.207   6.954 -11.030
  119   1HD2  LEU  17          2HD2      LEU  17   1.042   2.976  -9.891
  120   2HD2  LEU  17          1HD2      LEU  17  -0.027   3.944 -10.888
  121   3HD2  LEU  17          3HD2      LEU  17   1.486   3.340 -11.546
  122    H    VAL  18           H        VAL  18   3.202   5.439  -6.490
  123    HA   VAL  18           HA       VAL  18   6.080   5.735  -6.338
  124    HB   VAL  18           HB       VAL  18   4.000   6.346  -4.190
  125   1HG1  VAL  18          3HG1      VAL  18   6.856   7.266  -4.698
  126   2HG1  VAL  18          2HG1      VAL  18   5.762   8.091  -3.589
  127   3HG1  VAL  18          1HG1      VAL  18   6.241   6.436  -3.285
  128   1HG2  VAL  18          2HG2      VAL  18   5.085   7.916  -6.567
  129   2HG2  VAL  18          1HG2      VAL  18   3.441   7.360  -6.360
  130   3HG2  VAL  18          3HG2      VAL  18   4.062   8.622  -5.309
  131    H    PHE  19           H        PHE  19   3.826   3.448  -5.245
  132    HA   PHE  19           HA       PHE  19   5.384   2.413  -3.036
  133   1HB   PHE  19          2HB       PHE  19   3.247   0.972  -4.688
  134   2HB   PHE  19          1HB       PHE  19   3.815   0.478  -3.108
  135    HD1  PHE  19           HD1      PHE  19   3.851   3.409  -1.957
  136    HD2  PHE  19           HD2      PHE  19   0.949   1.119  -4.062
  137    HE1  PHE  19           HE1      PHE  19   2.065   4.702  -0.885
  138    HE2  PHE  19           HE2      PHE  19  -0.844   2.415  -2.987
  139    HZ   PHE  19           HZ       PHE  19  -0.289   4.209  -1.401
  140    H    PHE  20           H        PHE  20   5.257   2.167  -6.377
  141    HA   PHE  20           HA       PHE  20   6.843  -0.318  -6.629
  142   1HB   PHE  20          2HB       PHE  20   5.426  -0.191  -8.468
  143   2HB   PHE  20          1HB       PHE  20   5.340   1.547  -8.445
  144    HD1  PHE  20           HD1      PHE  20   7.716  -1.235  -9.224
  145    HD2  PHE  20           HD2      PHE  20   6.565   2.783 -10.063
  146    HE1  PHE  20           HE1      PHE  20   9.355  -1.147 -11.049
  147    HE2  PHE  20           HE2      PHE  20   8.204   2.867 -11.887
  148    HZ   PHE  20           HZ       PHE  20   9.601   0.905 -12.383
  149    H    ALA  21           H        ALA  21   7.154   3.128  -7.240
  150    HA   ALA  21           HA       ALA  21   9.890   3.202  -7.965
  151   1HB   ALA  21          2HB       ALA  21   8.203   5.131  -8.146
  152   2HB   ALA  21          1HB       ALA  21   8.364   5.350  -6.410
  153   3HB   ALA  21          3HB       ALA  21   9.748   5.606  -7.461
  154    H    GLU  22           H        GLU  22   8.184   3.120  -4.959
  155    HA   GLU  22           HA       GLU  22  10.277   3.702  -3.174
  156   1HB   GLU  22          2HB       GLU  22   7.671   2.250  -3.003
  157   2HB   GLU  22          1HB       GLU  22   8.805   1.845  -1.738
  158   1HG   GLU  22          2HG       GLU  22   8.842   4.027  -0.856
  159   2HG   GLU  22          1HG       GLU  22   8.287   4.760  -2.352
  160    H    ASP  23           H        ASP  23   9.281   0.719  -4.615
  161    HA   ASP  23           HA       ASP  23  11.140  -1.047  -3.316
  162   1HB   ASP  23          2HB       ASP  23   9.768  -2.552  -4.336
  163   2HB   ASP  23          1HB       ASP  23   8.960  -1.257  -5.177
  164    H    VAL  24           H        VAL  24  11.101   0.419  -6.498
  165    HA   VAL  24           HA       VAL  24  13.558  -0.453  -7.522
  166    HB   VAL  24           HB       VAL  24  12.165   2.242  -7.935
  167   1HG1  VAL  24          2HG1      VAL  24  14.396   0.889  -9.519
  168   2HG1  VAL  24          1HG1      VAL  24  13.440   2.225 -10.143
  169   3HG1  VAL  24          3HG1      VAL  24  14.460   2.461  -8.738
  170   1HG2  VAL  24          2HG2      VAL  24  11.990  -0.452  -9.346
  171   2HG2  VAL  24          1HG2      VAL  24  10.687   0.462  -8.610
  172   3HG2  VAL  24          3HG2      VAL  24  11.422   1.034 -10.090
  173    H    GLY  25           H        GLY  25  12.964   2.530  -5.709
  174   1HA   GLY  25          2HA       GLY  25  15.331   3.814  -5.563
  175   2HA   GLY  25          1HA       GLY  25  14.289   3.654  -4.161
  176    H    SER  26           H        SER  26  17.197   2.802  -5.606
  177    HA   SER  26           HA       SER  26  18.997   1.421  -5.046
  178   1HB   SER  26          2HB       SER  26  19.004   3.484  -3.465
  179   2HB   SER  26          1HB       SER  26  18.420   2.388  -2.204
  180    HG   SER  26           HG       SER  26  20.345   1.602  -2.101
  181    H    ASN  27           H        ASN  27  16.613  -0.058  -5.091
  182    HA   ASN  27           HA       ASN  27  15.561  -1.999  -4.365
  183   1HB   ASN  27          2HB       ASN  27  17.150  -3.905  -4.311
  184   2HB   ASN  27          1HB       ASN  27  17.602  -2.772  -5.570
  185   1HD2  ASN  27          2HD2      ASN  27  20.736  -2.020  -4.148
  186   2HD2  ASN  27          1HD2      ASN  27  19.625  -1.698  -5.391
  187    H    LYS  28           H        LYS  28  15.911  -0.117  -2.206
  188    HA   LYS  28           HA       LYS  28  15.531   0.053   0.049
  189   1HB   LYS  28          2HB       LYS  28  15.140  -2.975   0.127
  190   2HB   LYS  28          1HB       LYS  28  14.431  -1.785   1.186
  191   1HG   LYS  28          2HG       LYS  28  13.747  -2.263  -1.743
  192   2HG   LYS  28          1HG       LYS  28  12.714  -2.518  -0.360
  193   1HD   LYS  28          2HD       LYS  28  13.692   0.200  -1.358
  194   2HD   LYS  28          1HD       LYS  28  12.084  -0.462  -1.536
  195   1HE   LYS  28          2HE       LYS  28  11.943  -0.589   1.017
  196   2HE   LYS  28          1HE       LYS  28  13.408   0.383   1.056
  197   1HZ   LYS  28          2HZ       LYS  28  11.621   1.560  -0.739
  198   2HZ   LYS  28          1HZ       LYS  28  10.781   1.228   0.699
  199   3HZ   LYS  28          3HZ       LYS  28  12.196   2.167   0.738

  No H/Q in entry =         199