*HEADER    TOXIN                                   30-MAR-99   1CHV              
*TITLE     ELUCIDATION OF THE SOLUTION STRUCTURE OF CARDIOTOXIN                  
*TITLE    2 ANALOGUE V FROM THE TAIWAN COBRA (NAJA NAJA ATRA) VENOM              
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: CARDIOTOXIN ANALOGUE V;                                    
*COMPND   3 CHAIN: S                                                             
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: NAJA NAJA ATRA;                                 
*SOURCE   3 ORGANISM_COMMON: TAIWAN COBRA;                                       
*SOURCE   4 OTHER_DETAILS: CTX V OBTAINED FROM THE SNAKE (NAJA NAJA              
*SOURCE   5 ATRA) VENOM                                                          
*KEYWDS    CARDIOTOXINS, CYTOTOXINS                                              
*EXPDTA    NMR, MINIMIZED AVERAGE STRUCTURE                                      
*AUTHOR    G.JAYARAMAN, T.K.S.KUMAR, C.C.TSAI, C.YU                              
*REVDAT   1   30-MAR-00 1CHV    0                                                
!set message=off echo=off end
cons dihedral reset
!REStraints DIHEdral reset
!!
!! Phi restraints: minimum deviation = 30 degrees 

 assign (resid   1 and name c )   (resid   2 and name n ) 
        (resid   2 and name ca)   (resid   2 and name c )  1.0 -120.0 20.0 2

 assign (resid   2 and name c )   (resid   3 and name n ) 
        (resid   3 and name ca)   (resid   3 and name c )  1.0 -120.0 40.0 2
 
 assign (resid   3 and name c )   (resid   4 and name n ) 
        (resid   4 and name ca)   (resid   4 and name c )  1.0 -120.0 40.0 2

 assign (resid   4 and name c )   (resid   5 and name n ) 
        (resid   5 and name ca)   (resid   5 and name c )  1.0 -120.0 40.0 2
 
 assign (resid   6 and name c )   (resid   7 and name n ) 
        (resid   7 and name ca)   (resid   7 and name c )  1.0 -120.0 40.0 2
 
 assign (resid   8 and name c )   (resid   9 and name n ) 
        (resid   9 and name ca)   (resid   9 and name c )  1.0 -120.0 40.0 2

 assign (resid   9 and name c )   (resid  10 and name n ) 
        (resid  10 and name ca)   (resid  10 and name c )  1.0 -120.0 40.0 2

 assign (resid  10 and name c )   (resid  11 and name n ) 
        (resid  11 and name ca)   (resid  11 and name c )  1.0 -120.0 40.0 2

 assign (resid  11 and name c )   (resid  12 and name n ) 
        (resid  12 and name ca)   (resid  12 and name c )  1.0 -120.0 40.0 2

 assign (resid  12 and name c )   (resid  13 and name n ) 
        (resid  13 and name ca)   (resid  13 and name c )  1.0 -120.0 40.0 2

 assign (resid  16 and name c )   (resid  17 and name n ) 
        (resid  17 and name ca)   (resid  17 and name c )  1.0 -120.0 20.0 2

 assign (resid  18 and name c )   (resid  19 and name n ) 
        (resid  19 and name ca)   (resid  19 and name c )  1.0 -120.0 40.0 2

 assign (resid  19 and name c )   (resid  20 and name n ) 
        (resid  20 and name ca)   (resid  20 and name c )  1.0 -120.0 40.0 2

 assign (resid  20 and name c )   (resid  21 and name n ) 
        (resid  21 and name ca)   (resid  21 and name c )  1.0 -120.0 40.0 2
 
 assign (resid  21 and name c )   (resid  22 and name n ) 
        (resid  22 and name ca)   (resid  22 and name c )  1.0 -120.0 40.0 2

 assign (resid  23 and name c )   (resid  24 and name n ) 
        (resid  24 and name ca)   (resid  24 and name c )  1.0 -120.0 40.0 2

 assign (resid  24 and name c )   (resid  25 and name n ) 
        (resid  25 and name ca)   (resid  25 and name c )  1.0 -120.0 20.0 2
 
 assign (resid  25 and name c )   (resid  26 and name n ) 
        (resid  26 and name ca)   (resid  26 and name c )  1.0 -120.0 40.0 2

 assign (resid  26 and name c )   (resid  27 and name n ) 
        (resid  27 and name ca)   (resid  27 and name c )  1.0 -120.0 40.0 2

 assign (resid  29 and name c )   (resid  30 and name n ) 
        (resid  30 and name ca)   (resid  30 and name c )  1.0 -120.0 40.0 2

 assign (resid  30 and name c )   (resid  31 and name n ) 
        (resid  31 and name ca)   (resid  31 and name c )  1.0 -120.0 40.0 2

 assign (resid  33 and name c )   (resid  34 and name n ) 
        (resid  34 and name ca)   (resid  34 and name c )  1.0 -120.0 40.0 2

 assign (resid  34 and name c )   (resid  35 and name n ) 
        (resid  35 and name ca)   (resid  35 and name c )  1.0 -120.0 40.0 2

 assign (resid  35 and name c )   (resid  36 and name n ) 
        (resid  36 and name ca)   (resid  36 and name c )  1.0 -120.0 40.0 2

 assign (resid  36 and name c )   (resid  37 and name n ) 
        (resid  37 and name ca)   (resid  37 and name c )  1.0 -120.0 40.0 2

 assign (resid  37 and name c )   (resid  38 and name n ) 
        (resid  38 and name ca)   (resid  38 and name c )  1.0 -120.0 40.0 2

 assign (resid  38 and name c )   (resid  39 and name n ) 
        (resid  39 and name ca)   (resid  39 and name c )  1.0 -120.0 40.0 2

 assign (resid  39 and name c )   (resid  40 and name n ) 
        (resid  40 and name ca)   (resid  40 and name c )  1.0 -120.0 40.0 2
 
 assign (resid  40 and name c )   (resid  41 and name n ) 
        (resid  41 and name ca)   (resid  41 and name c )  1.0 -120.0 40.0 2

 assign (resid  41 and name c )   (resid  42 and name n ) 
        (resid  42 and name ca)   (resid  42 and name c )  1.0 -120.0 40.0 2
 
 assign (resid  44 and name c )   (resid  45 and name n ) 
        (resid  45 and name ca)   (resid  45 and name c )  1.0 -120.0 40.0 2

 assign (resid  45 and name c )   (resid  46 and name n ) 
        (resid  46 and name ca)   (resid  46 and name c )  1.0 -120.0 40.0 2

 assign (resid  46 and name c )   (resid  47 and name n ) 
        (resid  47 and name ca)   (resid  47 and name c )  1.0 -120.0 40.0 2

 assign (resid  47 and name c )   (resid  48 and name n ) 
        (resid  48 and name ca)   (resid  48 and name c )  1.0 -120.0 40.0 2

 assign (resid  48 and name c )   (resid  49 and name n ) 
        (resid  49 and name ca)   (resid  49 and name c )  1.0 -120.0 40.0 2

 assign (resid  49 and name c )   (resid  50 and name n ) 
        (resid  50 and name ca)   (resid  50 and name c )  1.0 -120.0 40.0 2

 assign (resid  50 and name c )   (resid  51 and name n ) 
        (resid  51 and name ca)   (resid  51 and name c )  1.0 -120.0 40.0 2

 assign (resid  51 and name c )   (resid  52 and name n ) 
        (resid  52 and name ca)   (resid  52 and name c )  1.0 -120.0 40.0 2

 assign (resid  52 and name c )   (resid  53 and name n ) 
        (resid  53 and name ca)   (resid  53 and name c )  1.0 -120.0 40.0 2
 
 assign (resid  53 and name c )   (resid  54 and name n ) 
        (resid  54 and name ca)   (resid  54 and name c ) 1.0 -120.0 40.0 2
 
 assign (resid  54 and name c )   (resid  55 and name n ) 
        (resid  55 and name ca)   (resid  55 and name c )  1.0 -120.0 40.0 2
 
 assign (resid  55 and name c )   (resid  56 and name n ) 
        (resid  56 and name ca)   (resid  56 and name c )  1.0 -120.0 40.0 2

 assign (resid  57 and name c )   (resid  58 and name n ) 
        (resid  58 and name ca)   (resid  58 and name c )  1.0 -120.0 40.0 2

 assign (resid  58 and name c )   (resid  59 and name n ) 
        (resid  59 and name ca)   (resid  59 and name c )  1.0 -120.0 40.0 2

 assign (resid  59 and name c )   (resid  60 and name n ) 
        (resid  60 and name ca)   (resid  60 and name c )  1.0 -120.0 40.0 2

! STEREOSPECIFIC ASSIGNMENT
  assign (resid   3 and name ha)   (resid   3 and name ca) 
         (resid   3 and name cb)   (resid   3 and name hb1) 1.0  -60.0 30.0 2

  assign (resid  10 and name ha)   (resid  10 and name ca) 
         (resid  10 and name cb)   (resid  10 and name hb1) 1.0  -60.0 30.0 2

  assign (resid  11 and name ha)   (resid  11 and name ca) 
         (resid  11 and name cb)   (resid  11 and name hb1) 1.0   60.0 30.0 2

  assign (resid  19 and name ha)   (resid  19 and name ca) 
         (resid  19 and name cb)   (resid  19 and name hb1) 1.0  -60.0 30.0 2
 
  assign (resid  21 and name ha)   (resid  21 and name ca) 
         (resid  21 and name cb)   (resid  21 and name hb1) 1.0  -60.0 30.0 2

  assign (resid  22 and name ha)   (resid  22 and name ca) 
         (resid  22 and name cb)   (resid  22 and name hb1) 1.0   60.0 30.0 2

  assign (resid  25 and name ha)   (resid  25 and name ca) 
         (resid  25 and name cb)   (resid  25 and name hb1) 1.0  180.0 30.0 2

  assign (resid  29 and name ha)   (resid  29 and name ca) 
         (resid  29 and name cb)   (resid  29 and name hb1) 1.0   60.0 30.0 2

  assign (resid  38 and name ha)   (resid  38 and name ca) 
         (resid  38 and name cb)   (resid  38 and name hb1) 1.0  -60.0 30.0 2
 
  assign (resid  42 and name ha)   (resid  42 and name ca) 
         (resid  42 and name cb)   (resid  42 and name hb1) 1.0  -60.0 30.0 2

  assign (resid  51 and name ha)   (resid  51 and name ca) 
         (resid  51 and name cb)   (resid  51 and name hb1) 1.0  -60.0 30.0 2

  assign (resid  53 and name ha)   (resid  53 and name ca) 
         (resid  53 and name cb)   (resid  53 and name hb1) 1.0   60.0 60.0 2
 
  assign (resid  54 and name ha)   (resid  54 and name ca) 
         (resid  54 and name cb)   (resid  54 and name hb1) 1.0   60.0 30.0 2
 
  assign (resid  55 and name ha)   (resid  55 and name ca) 
         (resid  55 and name cb)   (resid  55 and name hb1) 1.0   60.0 30.0 2

  assign (resid  59 and name ha)   (resid  59 and name ca) 
         (resid  59 and name cb)   (resid  59 and name hb1) 1.0   60.0 30.0 2
 
  assign (resid  60 and name ha)   (resid  60 and name ca) 
         (resid  60 and name cb)   (resid  60 and name hb1) 1.0   60.0 30.0 2
 
 set message=on echo=on end

  Entry H atom name         Submitted Coord H atom name
    1   1H    LEU   1          1H        LEU   1  17.708  55.815  21.694
    2   2H    LEU   1          2H        LEU   1  19.190  55.269  22.234
    3   3H    LEU   1          3H        LEU   1  17.795  54.791  23.137
    4    HA   LEU   1           HA       LEU   1  18.542  56.225  24.371
    5   1HB   LEU   1          1HB       LEU   1  19.884  57.522  22.605
    6   2HB   LEU   1          2HB       LEU   1  18.432  58.232  22.062
    7    HG   LEU   1           HG       LEU   1  19.768  59.567  23.577
    8   1HD1  LEU   1          1HD1      LEU   1  17.126  59.599  23.950
    9   2HD1  LEU   1          2HD1      LEU   1  17.498  58.790  25.482
   10   3HD1  LEU   1          3HD1      LEU   1  18.253  60.337  25.057
   11   1HD2  LEU   1          1HD2      LEU   1  21.086  57.775  24.539
   12   2HD2  LEU   1          2HD2      LEU   1  20.670  59.091  25.494
   13   3HD2  LEU   1          3HD2      LEU   1  19.968  57.518  25.827
   14    H    LYS   2           H        LYS   2  16.179  57.284  21.712
   15    HA   LYS   2           HA       LYS   2  14.394  58.147  23.938
   16   1HB   LYS   2          1HB       LYS   2  13.260  57.886  21.203
   17   2HB   LYS   2          2HB       LYS   2  12.876  58.854  22.560
   18   1HG   LYS   2          1HG       LYS   2  13.675  60.309  20.754
   19   2HG   LYS   2          2HG       LYS   2  14.781  60.457  22.057
   20   1HD   LYS   2          1HD       LYS   2  16.506  59.364  20.776
   21   2HD   LYS   2          2HD       LYS   2  15.250  58.436  19.744
   22   1HE   LYS   2          1HE       LYS   2  14.775  60.414  18.508
   23   2HE   LYS   2          2HE       LYS   2  15.831  61.374  19.535
   24   1HZ   LYS   2          1HZ       LYS   2  16.833  59.150  17.766
   25   2HZ   LYS   2          2HZ       LYS   2  16.791  60.889  17.604
   26   3HZ   LYS   2          3HZ       LYS   2  17.702  60.223  18.796
   27    H    CYS   3           H        CYS   3  13.810  56.229  25.065
   28    HA   CYS   3           HA       CYS   3  13.374  53.797  23.428
   29   1HB   CYS   3          1HB       CYS   3  15.615  54.325  25.479
   30   2HB   CYS   3          2HB       CYS   3  15.317  52.685  25.033
   31    H    ASN   4           H        ASN   4  12.977  51.831  24.657
   32    HA   ASN   4           HA       ASN   4  10.682  52.342  26.274
   33   1HB   ASN   4          1HB       ASN   4  12.045  49.927  25.366
   34   2HB   ASN   4          2HB       ASN   4  10.462  49.702  26.133
   35   1HD2  ASN   4          2HD2      ASN   4   9.026  48.976  24.481
   36   2HD2  ASN   4          1HD2      ASN   4   9.159  49.722  22.998
   37    H    LYS   5           H        LYS   5  10.962  52.832  28.290
   38    HA   LYS   5           HA       LYS   5  13.165  51.784  30.042
   39   1HB   LYS   5          1HB       LYS   5  13.380  54.056  29.825
   40   2HB   LYS   5          2HB       LYS   5  11.751  54.470  29.858
   41   1HG   LYS   5          1HG       LYS   5  11.628  54.130  32.335
   42   2HG   LYS   5          2HG       LYS   5  13.321  53.584  32.330
   43   1HD   LYS   5          1HD       LYS   5  12.225  56.232  32.627
   44   2HD   LYS   5          2HD       LYS   5  13.874  55.750  32.657
   45   1HE   LYS   5          1HE       LYS   5  13.693  57.555  31.074
   46   2HE   LYS   5          2HE       LYS   5  14.091  56.175  30.132
   47   1HZ   LYS   5          1HZ       LYS   5  11.387  57.375  30.308
   48   2HZ   LYS   5          2HZ       LYS   5  12.566  57.714  29.127
   49   3HZ   LYS   5          3HZ       LYS   5  11.889  56.165  29.225
   50    H    LEU   6           H        LEU   6  12.394  50.039  31.208
   51    HA   LEU   6           HA       LEU   6  10.975  48.402  31.433
   52   1HB   LEU   6          1HB       LEU   6  10.037  50.082  33.083
   53   2HB   LEU   6          2HB       LEU   6   8.632  50.334  32.045
   54    HG   LEU   6           HG       LEU   6   8.458  47.707  32.123
   55   1HD1  LEU   6          1HD1      LEU   6  10.638  47.512  33.576
   56   2HD1  LEU   6          2HD1      LEU   6   9.858  48.256  34.969
   57   3HD1  LEU   6          3HD1      LEU   6   9.246  46.781  34.230
   58   1HD2  LEU   6          1HD2      LEU   6   6.771  49.413  32.933
   59   2HD2  LEU   6          2HD2      LEU   6   6.752  47.894  33.911
   60   3HD2  LEU   6          3HD2      LEU   6   7.463  49.321  34.515
   61    H    VAL   7           H        VAL   7   7.910  48.867  30.467
   62    HA   VAL   7           HA       VAL   7   8.646  48.810  27.502
   63    HB   VAL   7           HB       VAL   7   6.728  46.720  28.761
   64   1HG1  VAL   7          1HG1      VAL   7   7.636  47.137  25.902
   65   2HG1  VAL   7          2HG1      VAL   7   6.982  45.621  26.602
   66   3HG1  VAL   7          3HG1      VAL   7   6.083  47.118  26.661
   67   1HG2  VAL   7          1HG2      VAL   7   9.681  46.491  27.906
   68   2HG2  VAL   7          2HG2      VAL   7   8.976  46.238  29.499
   69   3HG2  VAL   7          3HG2      VAL   7   8.682  45.083  28.189
   70    HA   PRO   8           HA       PRO   8   4.252  49.535  26.998
   71   1HB   PRO   8          1HB       PRO   8   2.422  50.154  28.879
   72   2HB   PRO   8          2HB       PRO   8   2.998  48.625  28.631
   73   1HG   PRO   8          1HG       PRO   8   4.109  50.405  30.689
   74   2HG   PRO   8          2HG       PRO   8   3.468  48.807  31.017
   75   1HD   PRO   8          1HD       PRO   8   6.152  49.080  30.700
   76   2HD   PRO   8          2HD       PRO   8   5.393  47.733  29.898
   77    H    LEU   9           H        LEU   9   6.032  51.744  28.989
   78    HA   LEU   9           HA       LEU   9   4.848  54.111  27.662
   79   1HB   LEU   9          1HB       LEU   9   7.442  53.880  29.396
   80   2HB   LEU   9          2HB       LEU   9   6.708  55.354  29.129
   81    HG   LEU   9           HG       LEU   9   5.624  53.092  31.026
   82   1HD1  LEU   9          1HD1      LEU   9   7.704  54.258  31.863
   83   2HD1  LEU   9          2HD1      LEU   9   6.832  55.844  31.668
   84   3HD1  LEU   9          3HD1      LEU   9   6.371  54.587  32.767
   85   1HD2  LEU   9          1HD2      LEU   9   3.981  54.643  29.753
   86   2HD2  LEU   9          2HD2      LEU   9   3.791  54.525  31.529
   87   3HD2  LEU   9          3HD2      LEU   9   4.592  55.946  30.835
   88    H    PHE  10           H        PHE  10   5.339  52.643  25.821
   89    HA   PHE  10           HA       PHE  10   7.990  52.160  25.131
   90   1HB   PHE  10          1HB       PHE  10   6.491  52.337  22.648
   91   2HB   PHE  10          2HB       PHE  10   7.156  50.981  23.431
   92    HD1  PHE  10           HD1      PHE  10   4.301  53.469  23.639
   93    HD2  PHE  10           HD2      PHE  10   5.571  49.418  24.133
   94    HE1  PHE  10           HE1      PHE  10   1.970  52.731  24.209
   95    HE2  PHE  10           HE2      PHE  10   3.284  48.706  24.418
   96    HZ   PHE  10           HZ       PHE  10   1.478  50.348  24.558
   97    H    TYR  11           H        TYR  11   9.584  53.122  24.389
   98    HA   TYR  11           HA       TYR  11  10.943  54.724  24.042
   99   1HB   TYR  11          1HB       TYR  11  10.987  55.504  21.599
  100   2HB   TYR  11          2HB       TYR  11  10.692  53.741  21.683
  101    HD1  TYR  11           HD1      TYR  11   7.900  53.138  21.346
  102    HD2  TYR  11           HD2      TYR  11   9.822  56.887  20.314
  103    HE1  TYR  11           HE1      TYR  11   6.107  53.641  19.743
  104    HE2  TYR  11           HE2      TYR  11   8.148  57.221  18.623
  105    HH   TYR  11           HH       TYR  11   5.263  55.281  18.401
  106    H    LYS  12           H        LYS  12  11.091  56.288  25.407
  107    HA   LYS  12           HA       LYS  12  10.951  58.664  23.914
  108   1HB   LYS  12          1HB       LYS  12   9.409  58.583  26.630
  109   2HB   LYS  12          2HB       LYS  12   9.862  60.144  26.044
  110   1HG   LYS  12          1HG       LYS  12   7.968  60.334  24.814
  111   2HG   LYS  12          2HG       LYS  12   8.526  59.224  23.927
  112   1HD   LYS  12          1HD       LYS  12   7.528  57.413  25.792
  113   2HD   LYS  12          2HD       LYS  12   6.835  58.774  26.556
  114   1HE   LYS  12          1HE       LYS  12   5.048  58.260  25.214
  115   2HE   LYS  12          2HE       LYS  12   5.774  59.055  23.873
  116   1HZ   LYS  12          1HZ       LYS  12   7.084  56.802  23.707
  117   2HZ   LYS  12          2HZ       LYS  12   5.806  56.249  24.566
  118   3HZ   LYS  12          3HZ       LYS  12   5.589  56.971  23.014
  119    H    THR  13           H        THR  13  11.976  60.685  25.323
  120    HA   THR  13           HA       THR  13  14.535  59.726  25.278
  121    HB   THR  13           HB       THR  13  14.044  62.403  26.543
  122    HG1  THR  13           HG1      THR  13  12.977  62.949  24.432
  123   1HG2  THR  13          1HG2      THR  13  16.360  61.627  25.414
  124   2HG2  THR  13          2HG2      THR  13  15.406  61.506  23.956
  125   3HG2  THR  13          3HG2      THR  13  15.692  63.083  24.734
  126    H    CYS  14           H        CYS  14  16.443  60.665  27.233
  127    HA   CYS  14           HA       CYS  14  15.933  58.961  29.574
  128   1HB   CYS  14          1HB       CYS  14  18.085  58.359  27.501
  129   2HB   CYS  14          2HB       CYS  14  18.083  57.789  29.183
  130    HA   PRO  15           HA       PRO  15  18.272  62.577  30.864
  131   1HB   PRO  15          1HB       PRO  15  19.031  62.048  33.407
  132   2HB   PRO  15          2HB       PRO  15  17.465  62.345  32.876
  133   1HG   PRO  15          1HG       PRO  15  18.854  59.576  33.172
  134   2HG   PRO  15          2HG       PRO  15  17.229  59.907  33.763
  135   1HD   PRO  15          1HD       PRO  15  17.758  58.587  31.497
  136   2HD   PRO  15          2HD       PRO  15  16.310  59.700  31.519
  137    H    ALA  16           H        ALA  16  20.204  62.764  29.569
  138    HA   ALA  16           HA       ALA  16  22.143  63.849  30.019
  139   1HB   ALA  16          1HB       ALA  16  21.704  63.775  32.394
  140   2HB   ALA  16          2HB       ALA  16  22.368  62.160  32.547
  141   3HB   ALA  16          3HB       ALA  16  23.446  63.566  32.156
  142    H    GLY  17           H        GLY  17  24.317  62.041  31.057
  143   1HA   GLY  17          1HA       GLY  17  24.844  60.616  28.486
  144   2HA   GLY  17          2HA       GLY  17  26.040  60.883  29.729
  145    H    LYS  18           H        LYS  18  23.065  59.382  29.005
  146    HA   LYS  18           HA       LYS  18  23.851  56.829  30.393
  147   1HB   LYS  18          1HB       LYS  18  20.911  57.794  30.256
  148   2HB   LYS  18          2HB       LYS  18  21.455  56.368  31.153
  149   1HG   LYS  18          1HG       LYS  18  22.381  59.120  32.160
  150   2HG   LYS  18          2HG       LYS  18  20.999  58.262  32.653
  151   1HD   LYS  18          1HD       LYS  18  22.366  57.308  34.051
  152   2HD   LYS  18          2HD       LYS  18  22.449  56.055  32.892
  153   1HE   LYS  18          1HE       LYS  18  24.495  58.401  33.017
  154   2HE   LYS  18          2HE       LYS  18  24.482  57.200  34.301
  155   1HZ   LYS  18          1HZ       LYS  18  24.961  55.534  32.563
  156   2HZ   LYS  18          2HZ       LYS  18  25.252  56.778  31.502
  157   3HZ   LYS  18          3HZ       LYS  18  26.191  56.511  32.824
  158    H    ASN  19           H        ASN  19  24.070  55.362  28.560
  159    HA   ASN  19           HA       ASN  19  23.617  57.174  26.269
  160   1HB   ASN  19          1HB       ASN  19  25.873  55.128  26.779
  161   2HB   ASN  19          2HB       ASN  19  25.627  56.229  25.326
  162   1HD2  ASN  19          2HD2      ASN  19  26.864  55.837  28.484
  163   2HD2  ASN  19          1HD2      ASN  19  27.555  57.343  28.611
  164    H    LEU  20           H        LEU  20  24.018  53.655  26.786
  165    HA   LEU  20           HA       LEU  20  22.584  53.328  24.218
  166   1HB   LEU  20          1HB       LEU  20  24.466  51.546  25.751
  167   2HB   LEU  20          2HB       LEU  20  23.285  50.790  24.631
  168    HG   LEU  20           HG       LEU  20  23.988  52.260  22.879
  169   1HD1  LEU  20          1HD1      LEU  20  25.598  53.854  24.617
  170   2HD1  LEU  20          2HD1      LEU  20  26.757  52.717  24.019
  171   3HD1  LEU  20          3HD1      LEU  20  25.912  53.826  22.916
  172   1HD2  LEU  20          1HD2      LEU  20  24.558  49.769  23.118
  173   2HD2  LEU  20          2HD2      LEU  20  25.694  50.680  22.221
  174   3HD2  LEU  20          3HD2      LEU  20  26.139  50.222  23.800
  175    H    CYS  21           H        CYS  21  20.912  51.651  23.998
  176    HA   CYS  21           HA       CYS  21  19.142  51.696  26.445
  177   1HB   CYS  21          1HB       CYS  21  18.657  51.348  23.504
  178   2HB   CYS  21          2HB       CYS  21  17.450  51.257  24.746
  179    H    TYR  22           H        TYR  22  19.971  50.114  27.378
  180    HA   TYR  22           HA       TYR  22  20.547  47.478  26.864
  181   1HB   TYR  22          1HB       TYR  22  21.481  47.444  28.736
  182   2HB   TYR  22          2HB       TYR  22  20.880  49.073  29.020
  183    HD1  TYR  22           HD1      TYR  22  18.202  48.329  29.609
  184    HD2  TYR  22           HD2      TYR  22  21.494  45.983  30.940
  185    HE1  TYR  22           HE1      TYR  22  16.939  47.582  31.605
  186    HE2  TYR  22           HE2      TYR  22  20.314  45.199  32.741
  187    HH   TYR  22           HH       TYR  22  18.199  46.576  34.299
  188    H    LYS  23           H        LYS  23  19.610  45.527  28.033
  189    HA   LYS  23           HA       LYS  23  17.139  45.541  28.930
  190   1HB   LYS  23          1HB       LYS  23  15.952  44.134  27.207
  191   2HB   LYS  23          2HB       LYS  23  16.204  45.803  26.708
  192   1HG   LYS  23          1HG       LYS  23  18.605  44.377  25.665
  193   2HG   LYS  23          2HG       LYS  23  17.463  43.133  25.797
  194   1HD   LYS  23          1HD       LYS  23  17.725  43.947  23.569
  195   2HD   LYS  23          2HD       LYS  23  16.084  44.096  24.020
  196   1HE   LYS  23          1HE       LYS  23  16.524  46.149  23.043
  197   2HE   LYS  23          2HE       LYS  23  16.464  46.474  24.777
  198   1HZ   LYS  23          1HZ       LYS  23  19.040  46.323  23.274
  199   2HZ   LYS  23          2HZ       LYS  23  18.275  47.673  23.701
  200   3HZ   LYS  23          3HZ       LYS  23  18.875  46.705  24.921
  201    H    MET  24           H        MET  24  16.608  43.619  29.790
  202    HA   MET  24           HA       MET  24  18.760  41.793  30.488
  203   1HB   MET  24          1HB       MET  24  15.660  41.458  30.960
  204   2HB   MET  24          2HB       MET  24  16.878  40.717  31.897
  205   1HG   MET  24          1HG       MET  24  17.824  42.946  32.685
  206   2HG   MET  24          2HG       MET  24  16.436  43.698  32.007
  207   1HE   MET  24          1HE       MET  24  18.063  41.495  34.276
  208   2HE   MET  24          2HE       MET  24  17.439  42.024  35.877
  209   3HE   MET  24          3HE       MET  24  16.761  40.621  35.099
  210    H    PHE  25           H        PHE  25  19.336  40.313  28.969
  211    HA   PHE  25           HA       PHE  25  17.271  39.700  26.935
  212   1HB   PHE  25          1HB       PHE  25  19.690  40.532  26.392
  213   2HB   PHE  25          2HB       PHE  25  20.277  39.015  26.953
  214    HD1  PHE  25           HD1      PHE  25  17.511  40.298  24.866
  215    HD2  PHE  25           HD2      PHE  25  20.505  37.271  25.339
  216    HE1  PHE  25           HE1      PHE  25  17.003  39.490  22.581
  217    HE2  PHE  25           HE2      PHE  25  20.033  36.403  23.086
  218    HZ   PHE  25           HZ       PHE  25  18.185  37.511  21.747
  219    H    MET  26           H        MET  26  15.930  38.162  28.442
  220    HA   MET  26           HA       MET  26  17.330  35.732  29.117
  221   1HB   MET  26          1HB       MET  26  14.329  36.546  29.221
  222   2HB   MET  26          2HB       MET  26  14.933  34.955  29.641
  223   1HG   MET  26          1HG       MET  26  16.092  35.682  31.585
  224   2HG   MET  26          2HG       MET  26  15.792  37.386  31.199
  225   1HE   MET  26          1HE       MET  26  14.683  37.297  34.114
  226   2HE   MET  26          2HE       MET  26  13.237  36.359  34.369
  227   3HE   MET  26          3HE       MET  26  14.833  35.567  34.105
  228    H    VAL  27           H        VAL  27  17.412  34.036  27.741
  229    HA   VAL  27           HA       VAL  27  16.274  34.135  25.052
  230    HB   VAL  27           HB       VAL  27  17.813  31.895  26.279
  231   1HG1  VAL  27          1HG1      VAL  27  16.875  32.104  23.763
  232   2HG1  VAL  27          2HG1      VAL  27  18.562  32.716  23.489
  233   3HG1  VAL  27          3HG1      VAL  27  18.297  31.202  24.210
  234   1HG2  VAL  27          1HG2      VAL  27  19.117  34.517  25.689
  235   2HG2  VAL  27          2HG2      VAL  27  19.165  33.531  27.100
  236   3HG2  VAL  27          3HG2      VAL  27  19.908  32.989  25.596
  237    H    SER  28           H        SER  28  15.896  32.207  28.170
  238    HA   SER  28           HA       SER  28  15.357  29.995  26.992
  239   1HB   SER  28          1HB       SER  28  14.201  30.765  29.843
  240   2HB   SER  28          2HB       SER  28  14.916  29.202  29.242
  241    HG   SER  28           HG       SER  28  16.613  30.524  30.263
  242    H    ASN  29           H        ASN  29  12.462  31.874  28.257
  243    HA   ASN  29           HA       ASN  29  10.843  29.604  27.524
  244   1HB   ASN  29          1HB       ASN  29   8.935  30.964  28.467
  245   2HB   ASN  29          2HB       ASN  29  10.427  30.748  29.392
  246   1HD2  ASN  29          2HD2      ASN  29   8.332  32.706  29.437
  247   2HD2  ASN  29          1HD2      ASN  29   9.042  34.306  29.319
  248    H    LYS  30           H        LYS  30  11.726  32.475  26.015
  249    HA   LYS  30           HA       LYS  30  11.020  32.175  23.390
  250   1HB   LYS  30          1HB       LYS  30   9.034  33.778  25.016
  251   2HB   LYS  30          2HB       LYS  30   9.480  34.367  23.441
  252   1HG   LYS  30          1HG       LYS  30   8.544  32.255  22.381
  253   2HG   LYS  30          2HG       LYS  30   8.364  31.545  23.913
  254   1HD   LYS  30          1HD       LYS  30   6.710  33.323  24.591
  255   2HD   LYS  30          2HD       LYS  30   6.696  33.802  22.908
  256   1HE   LYS  30          1HE       LYS  30   5.785  31.599  22.206
  257   2HE   LYS  30          2HE       LYS  30   6.036  30.983  23.788
  258   1HZ   LYS  30          1HZ       LYS  30   4.161  33.204  23.332
  259   2HZ   LYS  30          2HZ       LYS  30   3.661  31.646  23.566
  260   3HZ   LYS  30          3HZ       LYS  30   4.475  32.398  24.748
  261    H    MET  31           H        MET  31  11.892  34.659  22.450
  262    HA   MET  31           HA       MET  31  14.168  35.433  24.057
  263   1HB   MET  31          1HB       MET  31  12.708  36.487  21.650
  264   2HB   MET  31          2HB       MET  31  14.232  37.183  22.303
  265   1HG   MET  31          1HG       MET  31  13.791  34.299  21.268
  266   2HG   MET  31          2HG       MET  31  14.533  35.509  20.292
  267   1HE   MET  31          1HE       MET  31  15.344  32.823  20.649
  268   2HE   MET  31          2HE       MET  31  16.992  33.339  20.367
  269   3HE   MET  31          3HE       MET  31  16.611  32.355  21.756
  270    H    VAL  32           H        VAL  32  13.374  36.256  26.008
  271    HA   VAL  32           HA       VAL  32  11.226  38.355  25.952
  272    HB   VAL  32           HB       VAL  32  11.829  36.004  27.855
  273   1HG1  VAL  32          1HG1      VAL  32  10.526  38.531  28.903
  274   2HG1  VAL  32          2HG1      VAL  32  10.504  36.989  29.757
  275   3HG1  VAL  32          3HG1      VAL  32  11.938  37.863  29.475
  276   1HG2  VAL  32          1HG2      VAL  32  10.166  35.536  26.411
  277   2HG2  VAL  32          2HG2      VAL  32   9.646  35.504  28.046
  278   3HG2  VAL  32          3HG2      VAL  32   9.152  36.932  27.062
  279    HA   PRO  33           HA       PRO  33  14.671  40.879  27.360
  280   1HB   PRO  33          1HB       PRO  33  12.563  42.730  26.062
  281   2HB   PRO  33          2HB       PRO  33  14.282  42.916  25.848
  282   1HG   PRO  33          1HG       PRO  33  12.785  41.949  23.662
  283   2HG   PRO  33          2HG       PRO  33  14.341  41.302  24.167
  284   1HD   PRO  33          1HD       PRO  33  11.752  40.037  24.785
  285   2HD   PRO  33          2HD       PRO  33  13.248  39.278  24.341
  286    H    VAL  34           H        VAL  34  14.265  40.769  29.327
  287    HA   VAL  34           HA       VAL  34  11.796  41.201  30.523
  288    HB   VAL  34           HB       VAL  34  14.295  41.121  32.427
  289   1HG1  VAL  34          1HG1      VAL  34  11.928  41.569  33.343
  290   2HG1  VAL  34          2HG1      VAL  34  11.428  40.057  32.580
  291   3HG1  VAL  34          3HG1      VAL  34  12.673  40.041  33.851
  292   1HG2  VAL  34          1HG2      VAL  34  14.307  39.032  30.740
  293   2HG2  VAL  34          2HG2      VAL  34  14.442  38.834  32.511
  294   3HG2  VAL  34          3HG2      VAL  34  12.891  38.550  31.668
  295    H    LYS  35           H        LYS  35  14.434  42.995  31.831
  296    HA   LYS  35           HA       LYS  35  12.665  45.369  31.689
  297   1HB   LYS  35          1HB       LYS  35  15.353  45.140  33.077
  298   2HB   LYS  35          2HB       LYS  35  14.278  46.444  32.965
  299   1HG   LYS  35          1HG       LYS  35  12.460  45.285  34.264
  300   2HG   LYS  35          2HG       LYS  35  13.469  43.838  34.341
  301   1HD   LYS  35          1HD       LYS  35  15.283  45.018  35.435
  302   2HD   LYS  35          2HD       LYS  35  14.405  46.491  35.699
  303   1HE   LYS  35          1HE       LYS  35  12.639  45.457  36.997
  304   2HE   LYS  35          2HE       LYS  35  13.264  43.888  36.736
  305   1HZ   LYS  35          1HZ       LYS  35  14.733  46.220  38.017
  306   2HZ   LYS  35          2HZ       LYS  35  13.916  44.842  38.698
  307   3HZ   LYS  35          3HZ       LYS  35  15.333  44.629  37.878
  308    H    ARG  36           H        ARG  36  12.857  46.647  29.948
  309    HA   ARG  36           HA       ARG  36  15.464  46.909  28.551
  310   1HB   ARG  36          1HB       ARG  36  12.546  47.656  27.668
  311   2HB   ARG  36          2HB       ARG  36  13.842  48.601  26.963
  312   1HG   ARG  36          1HG       ARG  36  14.552  46.773  25.520
  313   2HG   ARG  36          2HG       ARG  36  13.991  45.601  26.761
  314   1HD   ARG  36          1HD       ARG  36  12.049  47.263  25.125
  315   2HD   ARG  36          2HD       ARG  36  12.818  45.777  24.525
  316    HE   ARG  36           HE       ARG  36  11.598  45.272  27.080
  317   1HH1  ARG  36          1HH1      ARG  36  11.061  45.714  23.528
  318   2HH1  ARG  36          2HH1      ARG  36   9.920  44.520  23.549
  319   1HH2  ARG  36          1HH2      ARG  36  10.134  43.469  26.958
  320   2HH2  ARG  36          2HH2      ARG  36   9.061  43.547  25.651
  321    H    GLY  37           H        GLY  37  16.295  48.891  28.048
  322   1HA   GLY  37          1HA       GLY  37  15.199  51.321  28.323
  323   2HA   GLY  37          2HA       GLY  37  15.228  50.822  29.986
  324    H    CYS  38           H        CYS  38  16.452  53.118  28.888
  325    HA   CYS  38           HA       CYS  38  19.174  53.068  28.780
  326   1HB   CYS  38          1HB       CYS  38  17.477  55.196  29.916
  327   2HB   CYS  38          2HB       CYS  38  19.234  55.202  29.367
  328    H    ILE  39           H        ILE  39  20.482  53.356  30.119
  329    HA   ILE  39           HA       ILE  39  20.598  53.912  32.783
  330    HB   ILE  39           HB       ILE  39  21.587  51.651  33.884
  331   1HG1  ILE  39          1HG1      ILE  39  19.684  50.123  32.154
  332   2HG1  ILE  39          2HG1      ILE  39  21.383  50.337  31.770
  333   1HG2  ILE  39          1HG2      ILE  39  19.322  52.876  34.452
  334   2HG2  ILE  39          2HG2      ILE  39  18.566  51.535  33.478
  335   3HG2  ILE  39          3HG2      ILE  39  19.469  51.210  34.960
  336   1HD1  ILE  39          1HD1      ILE  39  21.846  49.413  34.245
  337   2HD1  ILE  39          2HD1      ILE  39  20.282  48.781  34.148
  338   3HD1  ILE  39          3HD1      ILE  39  21.373  48.242  32.973
  339    H    ASP  40           H        ASP  40  22.860  51.070  32.374
  340    HA   ASP  40           HA       ASP  40  24.464  52.187  30.371
  341   1HB   ASP  40          1HB       ASP  40  24.915  53.781  32.599
  342   2HB   ASP  40          2HB       ASP  40  26.367  52.821  32.420
  343    H    VAL  41           H        VAL  41  24.617  50.269  33.344
  344    HA   VAL  41           HA       VAL  41  26.547  48.477  32.430
  345    HB   VAL  41           HB       VAL  41  24.211  48.088  34.294
  346   1HG1  VAL  41          1HG1      VAL  41  26.450  46.155  33.452
  347   2HG1  VAL  41          2HG1      VAL  41  25.596  46.056  35.048
  348   3HG1  VAL  41          3HG1      VAL  41  24.716  45.785  33.534
  349   1HG2  VAL  41          1HG2      VAL  41  27.187  48.527  34.753
  350   2HG2  VAL  41          2HG2      VAL  41  25.869  49.712  35.088
  351   3HG2  VAL  41          3HG2      VAL  41  25.998  48.218  35.967
  352    H    CYS  42           H        CYS  42  26.746  47.744  30.745
  353    HA   CYS  42           HA       CYS  42  24.453  46.979  29.029
  354   1HB   CYS  42          1HB       CYS  42  25.165  48.919  28.070
  355   2HB   CYS  42          2HB       CYS  42  26.848  48.681  28.366
  356    HA   PRO  43           HA       PRO  43  27.431  44.146  27.172
  357   1HB   PRO  43          1HB       PRO  43  30.120  44.052  27.557
  358   2HB   PRO  43          2HB       PRO  43  29.500  45.448  26.786
  359   1HG   PRO  43          1HG       PRO  43  30.344  45.284  29.656
  360   2HG   PRO  43          2HG       PRO  43  30.383  46.701  28.681
  361   1HD   PRO  43          1HD       PRO  43  28.443  46.093  30.544
  362   2HD   PRO  43          2HD       PRO  43  28.246  47.355  29.355
  363    H    LYS  44           H        LYS  44  29.806  42.809  28.585
  364    HA   LYS  44           HA       LYS  44  30.280  40.739  29.489
  365   1HB   LYS  44          1HB       LYS  44  28.197  41.546  31.548
  366   2HB   LYS  44          2HB       LYS  44  29.296  40.188  31.715
  367   1HG   LYS  44          1HG       LYS  44  30.050  43.128  31.527
  368   2HG   LYS  44          2HG       LYS  44  29.989  42.196  33.009
  369   1HD   LYS  44          1HD       LYS  44  31.858  40.913  32.704
  370   2HD   LYS  44          2HD       LYS  44  31.994  41.065  31.036
  371   1HE   LYS  44          1HE       LYS  44  33.883  42.184  32.554
  372   2HE   LYS  44          2HE       LYS  44  33.139  43.178  31.271
  373   1HZ   LYS  44          1HZ       LYS  44  31.991  43.341  33.953
  374   2HZ   LYS  44          2HZ       LYS  44  33.419  44.233  33.554
  375   3HZ   LYS  44          3HZ       LYS  44  31.972  44.366  32.656
  376    H    SER  45           H        SER  45  28.756  38.670  30.670
  377    HA   SER  45           HA       SER  45  26.135  38.258  29.595
  378   1HB   SER  45          1HB       SER  45  28.303  36.404  28.568
  379   2HB   SER  45          2HB       SER  45  26.711  35.930  28.586
  380    HG   SER  45           HG       SER  45  27.606  38.319  27.305
  381    H    SER  46           H        SER  46  25.048  37.253  31.338
  382    HA   SER  46           HA       SER  46  26.873  35.769  33.192
  383   1HB   SER  46          1HB       SER  46  24.804  35.400  34.610
  384   2HB   SER  46          2HB       SER  46  25.324  37.087  34.477
  385    HG   SER  46           HG       SER  46  23.042  36.867  34.172
  386    H    LEU  47           H        LEU  47  23.790  35.242  32.001
  387    HA   LEU  47           HA       LEU  47  24.209  32.821  30.652
  388   1HB   LEU  47          1HB       LEU  47  25.071  32.166  33.025
  389   2HB   LEU  47          2HB       LEU  47  23.327  32.184  33.498
  390    HG   LEU  47           HG       LEU  47  22.977  30.489  31.784
  391   1HD1  LEU  47          1HD1      LEU  47  25.859  30.787  31.035
  392   2HD1  LEU  47          2HD1      LEU  47  24.898  29.298  30.788
  393   3HD1  LEU  47          3HD1      LEU  47  24.389  30.730  29.916
  394   1HD2  LEU  47          1HD2      LEU  47  23.687  29.801  34.088
  395   2HD2  LEU  47          2HD2      LEU  47  24.068  28.584  32.977
  396   3HD2  LEU  47          3HD2      LEU  47  25.325  29.658  33.674
  397    H    LEU  48           H        LEU  48  21.702  33.156  33.365
  398    HA   LEU  48           HA       LEU  48  19.807  33.406  31.320
  399   1HB   LEU  48          1HB       LEU  48  19.287  34.460  34.123
  400   2HB   LEU  48          2HB       LEU  48  18.079  34.037  32.966
  401    HG   LEU  48           HG       LEU  48  20.174  32.363  34.315
  402   1HD1  LEU  48          1HD1      LEU  48  18.430  33.021  35.988
  403   2HD1  LEU  48          2HD1      LEU  48  17.196  32.488  34.898
  404   3HD1  LEU  48          3HD1      LEU  48  18.337  31.336  35.692
  405   1HD2  LEU  48          1HD2      LEU  48  19.755  31.255  32.102
  406   2HD2  LEU  48          2HD2      LEU  48  19.301  30.162  33.416
  407   3HD2  LEU  48          3HD2      LEU  48  18.070  30.965  32.465
  408    H    VAL  49           H        VAL  49  21.864  35.766  32.082
  409    HA   VAL  49           HA       VAL  49  20.222  37.733  30.661
  410    HB   VAL  49           HB       VAL  49  21.491  38.794  33.175
  411   1HG1  VAL  49          1HG1      VAL  49  20.172  40.092  31.447
  412   2HG1  VAL  49          2HG1      VAL  49  18.787  39.408  32.182
  413   3HG1  VAL  49          3HG1      VAL  49  19.812  40.314  33.239
  414   1HG2  VAL  49          1HG2      VAL  49  18.888  37.201  33.349
  415   2HG2  VAL  49          2HG2      VAL  49  20.480  36.836  34.196
  416   3HG2  VAL  49          3HG2      VAL  49  19.544  38.281  34.483
  417    H    LYS  50           H        LYS  50  21.881  37.294  29.124
  418    HA   LYS  50           HA       LYS  50  24.192  39.130  29.242
  419   1HB   LYS  50          1HB       LYS  50  24.587  38.510  26.936
  420   2HB   LYS  50          2HB       LYS  50  24.426  37.072  27.931
  421   1HG   LYS  50          1HG       LYS  50  21.985  37.048  27.219
  422   2HG   LYS  50          2HG       LYS  50  22.422  37.979  25.848
  423   1HD   LYS  50          1HD       LYS  50  23.730  35.274  26.719
  424   2HD   LYS  50          2HD       LYS  50  22.407  35.437  25.623
  425   1HE   LYS  50          1HE       LYS  50  23.612  36.672  23.909
  426   2HE   LYS  50          2HE       LYS  50  25.121  36.723  24.835
  427   1HZ   LYS  50          1HZ       LYS  50  23.961  34.146  24.141
  428   2HZ   LYS  50          2HZ       LYS  50  24.952  34.855  22.976
  429   3HZ   LYS  50          3HZ       LYS  50  25.566  34.595  24.453
  430    H    TYR  51           H        TYR  51  23.998  40.984  27.550
  431    HA   TYR  51           HA       TYR  51  21.157  41.769  27.536
  432   1HB   TYR  51          1HB       TYR  51  23.284  43.842  28.312
  433   2HB   TYR  51          2HB       TYR  51  21.506  43.920  28.429
  434    HD1  TYR  51           HD1      TYR  51  24.607  42.750  29.776
  435    HD2  TYR  51           HD2      TYR  51  20.453  42.918  30.157
  436    HE1  TYR  51           HE1      TYR  51  24.850  42.097  32.302
  437    HE2  TYR  51           HE2      TYR  51  20.562  42.274  32.643
  438    HH   TYR  51           HH       TYR  51  23.519  42.150  34.432
  439    H    VAL  52           H        VAL  52  20.569  43.127  25.760
  440    HA   VAL  52           HA       VAL  52  22.636  43.007  23.549
  441    HB   VAL  52           HB       VAL  52  19.641  42.551  23.692
  442   1HG1  VAL  52          1HG1      VAL  52  19.820  44.444  21.921
  443   2HG1  VAL  52          2HG1      VAL  52  20.953  43.423  21.032
  444   3HG1  VAL  52          3HG1      VAL  52  19.259  42.959  21.309
  445   1HG2  VAL  52          1HG2      VAL  52  21.258  40.621  23.629
  446   2HG2  VAL  52          2HG2      VAL  52  19.965  40.593  22.487
  447   3HG2  VAL  52          3HG2      VAL  52  21.632  40.963  21.962
  448    H    CYS  53           H        CYS  53  23.517  45.062  24.015
  449    HA   CYS  53           HA       CYS  53  21.894  47.316  24.657
  450   1HB   CYS  53          1HB       CYS  53  24.841  47.495  23.535
  451   2HB   CYS  53          2HB       CYS  53  23.956  48.521  24.638
  452    H    CYS  54           H        CYS  54  21.628  49.069  23.224
  453    HA   CYS  54           HA       CYS  54  22.439  48.866  20.481
  454   1HB   CYS  54          1HB       CYS  54  20.426  48.779  19.357
  455   2HB   CYS  54          2HB       CYS  54  20.436  47.455  20.440
  456    H    ASN  55           H        ASN  55  22.500  50.484  19.514
  457    HA   ASN  55           HA       ASN  55  22.635  52.954  21.153
  458   1HB   ASN  55          1HB       ASN  55  24.432  53.578  19.771
  459   2HB   ASN  55          2HB       ASN  55  24.729  51.958  20.203
  460   1HD2  ASN  55          2HD2      ASN  55  25.583  53.927  18.248
  461   2HD2  ASN  55          1HD2      ASN  55  25.233  53.460  16.649
  462    H    THR  56           H        THR  56  21.539  51.816  17.888
  463    HA   THR  56           HA       THR  56  20.264  54.203  17.043
  464    HB   THR  56           HB       THR  56  20.074  51.277  16.455
  465    HG1  THR  56           HG1      THR  56  22.220  52.139  15.987
  466   1HG2  THR  56          1HG2      THR  56  19.194  53.562  14.904
  467   2HG2  THR  56          2HG2      THR  56  19.438  51.971  14.113
  468   3HG2  THR  56          3HG2      THR  56  18.211  52.273  15.409
  469    H    ASP  57           H        ASP  57  18.013  54.583  17.489
  470    HA   ASP  57           HA       ASP  57  17.704  54.046  20.151
  471   1HB   ASP  57          1HB       ASP  57  15.695  55.423  18.339
  472   2HB   ASP  57          2HB       ASP  57  15.619  55.446  20.107
  473    H    ARG  58           H        ARG  58  16.509  52.471  17.254
  474    HA   ARG  58           HA       ARG  58  14.440  51.042  18.799
  475   1HB   ARG  58          1HB       ARG  58  13.372  50.655  16.637
  476   2HB   ARG  58          2HB       ARG  58  13.625  52.266  16.924
  477   1HG   ARG  58          1HG       ARG  58  15.017  52.694  15.323
  478   2HG   ARG  58          2HG       ARG  58  15.982  51.207  15.438
  479   1HD   ARG  58          1HD       ARG  58  13.105  51.194  14.308
  480   2HD   ARG  58          2HD       ARG  58  14.466  51.769  13.300
  481    HE   ARG  58           HE       ARG  58  15.281  49.520  14.453
  482   1HH1  ARG  58          1HH1      ARG  58  12.672  50.453  12.178
  483   2HH1  ARG  58          2HH1      ARG  58  12.627  48.991  11.368
  484   1HH2  ARG  58          1HH2      ARG  58  15.550  47.700  12.937
  485   2HH2  ARG  58          2HH2      ARG  58  14.345  47.480  11.683
  486    H    CYS  59           H        CYS  59  15.787  49.476  19.846
  487    HA   CYS  59           HA       CYS  59  15.399  47.187  17.965
  488   1HB   CYS  59          1HB       CYS  59  17.299  46.081  18.728
  489   2HB   CYS  59          2HB       CYS  59  17.987  47.723  18.602
  490    H    ASN  60           H        ASN  60  13.778  48.516  20.141
  491    HA   ASN  60           HA       ASN  60  14.129  46.694  22.341
  492   1HB   ASN  60          1HB       ASN  60  12.816  49.426  22.490
  493   2HB   ASN  60          2HB       ASN  60  13.515  48.502  23.774
  494   1HD2  ASN  60          2HD2      ASN  60  16.027  48.145  22.092
  495   2HD2  ASN  60          1HD2      ASN  60  16.848  49.679  22.122