*HEADER    ACYLTRANSFERASE                         05-JUL-01   1H7D
*TITLE     SOLUTION STRUCTURE OF THE 49 AA PRESEQUENCE OF 5-ALAS
*COMPND    MOL_ID: 1;
*COMPND   2 MOLECULE: AMINOLEVULINIC ACID SYNTHASE 2, ERYTHROID;
*COMPND   3 CHAIN: A;
*COMPND   4 EC:  2.3.1.37;
*COMPND   5 SYNONYM: MINO LEVULINATE SYNTHASE, 5-AMINOLEVULINIC ACID
*COMPND   6 SYNTHASE, DELTA-AMINOLEVULINATE SYNTHASE, DELTA-ALA SYNTHETASE;
*COMPND   7 FRAGMENT: PRESEQUENCE RESIDUES 1-49
*SOURCE    MOL_ID: 1;
*SOURCE   2 ORGANISM_SCIENTIFIC: MUS MUSCULUS;
*SOURCE   3 SYNTHETIC: YES
*KEYWDS    ALAS, PRESEQUENCE, NMR STRUCTURE
*EXPDTA    NMR, 30 STRUCTURES
*AUTHOR    B.J.GOODFELLOW, J.S.DIAS, G.C.FERREIRA, V.WRAY, P.HENKLEIN,
*AUTHOR   2 A.L.MACEDO




  1 MET  HA      2 VAL  HN      3.41                
  2 VAL  HN      2 VAL  HB      3.80                
  2 VAL  HA      3 ALA  HN      2.98                
  2 VAL  QQG     2 VAL  HB      5.96                
  3 ALA  HN      4 ALA  HN      4.02                
  3 ALA  HA      4 ALA  HN      3.23                
  4 ALA  HN      5 ALA  HN      3.44                
  5 ALA  HN      6 MET  HN      3.34                
  6 MET  HN      6 MET  HG2     6.00                
  6 MET  HN      6 MET  HG3     6.00                
  6 MET  HN      7 LEU  HN      3.16                
  7 LEU  HN      7 LEU  HG      4.42                
  7 LEU  HN      8 LEU  HN      3.26                
  7 LEU  HA      7 LEU  QD2     6.02                
  7 LEU  HG      8 LEU  HN      5.57                
  8 LEU  HN      8 LEU  HG      5.39                
  8 LEU  HN      9 ARG  HN      3.52                
  9 ARG  HN      9 ARG  HB2     4.16                
  9 ARG  HN      9 ARG  HB3     3.73                
  9 ARG  HN      9 ARG  HG2     3.95                
  9 ARG  HN      9 ARG  HG3     4.60                
  9 ARG  HN     10 SER  HN      3.55                
  9 ARG  HN     10 SER  HB2     3.55                
  9 ARG  HN     11 CYS  HN      4.56                
 10 SER  HN     11 CYS  HN      3.26                
 11 CYS  HN     11 CYS  HB2     3.88                
 11 CYS  HN     11 CYS  HB3     3.95                
 13 VAL  HN     13 VAL  HB      3.59                
 13 VAL  HN     14 LEU  HN      3.34                
 13 VAL  HN     15 SER  HN      4.49                
 13 VAL  HB     14 LEU  HN      4.24                
 14 LEU  HN     14 LEU  QD1     7.03                
 14 LEU  HN     14 LEU  QD2     6.49                
 14 LEU  HN     15 SER  HN      3.37                
 14 LEU  HA     14 LEU  QD1     5.34                
 14 LEU  QB     17 GLY  HN      5.58                
 15 SER  HN     15 SER  HB3     3.88                
 15 SER  HN     16 GLN  HN      3.62                
 16 GLN  HN     16 GLN  HB2     3.80                
 16 GLN  HN     16 GLN  HB3     4.16                
 16 GLN  HN     16 GLN  QG      6.48                
 16 GLN  HN     17 GLY  HN      3.44                
 16 GLN  HA     17 GLY  HN      3.62                
 16 GLN  HB3    17 GLY  HN      4.38                
 17 GLY  HN     18 PRO  HG2     4.31                
 17 GLY  HN     18 PRO  HD3     5.89                
 18 PRO  HD2    19 THR  HN      5.42                
 19 THR  HN     19 THR  HB      3.80                
 19 THR  HN     20 GLY  HN      3.52                
 19 THR  HB     20 GLY  HN      4.24                
 19 THR  QG2    20 GLY  HN      7.03                
 20 GLY  HN     21 LEU  HN      3.48                
 21 LEU  HN     21 LEU  HG      4.02                
 21 LEU  HN     21 LEU  QD2     7.03                
 21 LEU  HN     22 LEU  HN      3.41                
 21 LEU  HA     21 LEU  QD1     5.19                
 21 LEU  HA     21 LEU  QD2     6.45                
 21 LEU  HA     22 LEU  QB      5.15                
 21 LEU  HA     24 LYS  QB      5.15                
 22 LEU  HN     22 LEU  HG      4.85                
 22 LEU  HN     22 LEU  QD2     7.03                
 22 LEU  HN     23 GLY  HN      3.66                
 22 LEU  HN     24 LYS  HN      4.52                
 22 LEU  HA     22 LEU  QD1     5.52                
 22 LEU  HA     25 VAL  HN      4.16                
 22 LEU  HA     25 VAL  HB      3.59                
 22 LEU  HA     25 VAL  QG2     5.41                
 22 LEU  QB     23 GLY  HN      5.22                
 22 LEU  HG     23 GLY  HN      5.39                
 22 LEU  QD2    23 GLY  HA2     5.66                
 23 GLY  HN     24 LYS  HN      3.55                
 23 GLY  HA1    26 ALA  HN      4.27                
 23 GLY  HA1    26 ALA  QB      5.34                
 23 GLY  HA2    26 ALA  HN      4.34                
 24 LYS  HN     25 VAL  HN      3.41                
 24 LYS  HN     25 VAL  QG2     5.73                
 24 LYS  HN     26 ALA  HN      4.74                
 24 LYS  QB     25 VAL  HN      5.08                
 25 VAL  HN     25 VAL  HB      3.41                
 25 VAL  HN     25 VAL  QG2     4.76                
 25 VAL  HN     26 ALA  HN      3.41                
 25 VAL  HN     26 ALA  QB      7.03                
 25 VAL  HA     28 THR  HN      4.49                
 25 VAL  HA     28 THR  HB      3.59                
 25 VAL  HB     26 ALA  HN      3.62                
 25 VAL  QG1    26 ALA  HN      6.02                
 25 VAL  QG1    26 ALA  HA      6.34                
 25 VAL  QG2    26 ALA  HN      5.95                
 26 ALA  HN     27 LYS  HN      3.73                
 26 ALA  HN     28 THR  HN      4.16                
 26 ALA  HN     29 TYR  QB      5.90                
 26 ALA  HA     29 TYR  QB      5.11                
 27 LYS  HN     29 TYR  HN      4.63                
 27 LYS  HA     30 GLN  HN      3.66                
 27 LYS  HA     30 GLN  HB2     4.06                
 27 LYS  HA     30 GLN  HB3     3.80                
 28 THR  HN     28 THR  HB      3.73                
 28 THR  HN     29 TYR  HN      3.84                
 28 THR  HA     29 TYR  HA      4.76                              
 28 THR  HA     31 PHE  HB2     4.16                
 28 THR  HA     31 PHE  HB3     3.91                
 28 THR  HA     32 LEU  HN      4.49                
 28 THR  HB     29 TYR  HN      4.02                
 28 THR  QG2    29 TYR  HN      6.67                
 29 TYR  HN     30 GLN  HN      3.59                
 29 TYR  HA     32 LEU  HN      4.27                
 29 TYR  HA     32 LEU  HB2     3.88                
 29 TYR  HA     32 LEU  HG      5.78                
 30 GLN  HN     30 GLN  HB2     3.66                
 30 GLN  HN     30 GLN  HB3     3.59                
 30 GLN  HN     30 GLN  HG2     5.50                
 30 GLN  HN     31 PHE  HN      3.66                
 30 GLN  HN     32 LEU  HN      4.56                
 30 GLN  HA     31 PHE  HA      4.56               
 30 GLN  HA     33 PHE  HN      4.31                
 30 GLN  HA     33 PHE  HB2     3.62                
 30 GLN  HA     33 PHE  HB3     4.09                
 30 GLN  HB2    31 PHE  HN      4.34                
 30 GLN  HB3    31 PHE  HN      4.20                
 31 PHE  HN     31 PHE  HB2     3.55                
 31 PHE  HN     31 PHE  HB3     3.62                
 31 PHE  HN     32 LEU  HN      3.77                
 31 PHE  HB2    32 LEU  HN      4.24                
 31 PHE  HB3    32 LEU  HN      4.09                
 32 LEU  HN     32 LEU  HB2     3.80                
 32 LEU  HN     32 LEU  HB3     3.66                
 32 LEU  HN     32 LEU  HG      5.17                
 32 LEU  HN     33 PHE  HN      3.77                
 32 LEU  HA     35 ILE  QG2     5.84                
 32 LEU  HA     35 ILE  QG1     6.88                
 32 LEU  HA     35 ILE  QD1     4.83                
 32 LEU  HB2    33 PHE  HN      4.13                
 32 LEU  HB3    35 ILE  QD1     5.88                
 33 PHE  HN     33 PHE  HB2     3.66                
 33 PHE  HN     33 PHE  HB3     3.55                
 33 PHE  HN     34 SER  HN      3.91                
 33 PHE  HB2    34 SER  HN      4.02                
 33 PHE  HB3    34 SER  HN      4.42                
 34 SER  HN     34 SER  HB2     3.88                
 34 SER  HN     34 SER  HB3     3.91                
 34 SER  HN     35 ILE  HN      3.66                
 35 ILE  HN     35 ILE  HB      3.98                
 35 ILE  HN     35 ILE  QG1     6.88                
 35 ILE  HN     36 GLY  HN      3.55                
 35 ILE  HN     36 GLY  QA      5.54                
 35 ILE  HA     36 GLY  HN      3.55                
 35 ILE  HB     36 GLY  HN      3.98                
 35 ILE  QG2    36 GLY  HN      6.38                
 37 ARG  HN     38 CYS  HN      3.44                
 37 ARG  HA     37 ARG  QD      6.88                
 37 ARG  HA     38 CYS  HN      3.55                
 37 ARG  HB2    37 ARG  HE      6.00                
 38 CYS  HN     38 CYS  HB2     4.09                
 38 CYS  HN     38 CYS  HB3     4.16                
 39 PRO  HA     42 ALA  HN      4.63                
 40 ILE  HN     40 ILE  HB      3.62                
 40 ILE  HN     40 ILE  HG12    5.39                
 40 ILE  HN     40 ILE  HG13    5.64                
 40 ILE  HN     40 ILE  QD1     6.92                
 40 ILE  HN     41 LEU  HN      3.70                
 40 ILE  HA     41 LEU  HN      3.59                
 40 ILE  HB     41 LEU  HN      4.38                
 41 LEU  HN     41 LEU  QD1     7.03                
 41 LEU  HN     41 LEU  QD2     7.03                
 41 LEU  HN     42 ALA  HN      3.59                
 41 LEU  HA     41 LEU  QD1     6.92                
 42 ALA  HN     43 THR  HN      3.73                
 43 THR  HN     44 GLN  HN      3.73                
 43 THR  HN     45 GLY  HN      4.49                
 44 GLN  HN     44 GLN  HG2     5.82                
 44 GLN  HN     45 GLY  HN      4.09                
 44 GLN  HN     45 GLY  HA2     4.34                
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H    MET   1           H        MET   1  -5.025  42.893  32.277
    2    HA   MET   1           HA       MET   1  -3.492  41.375  32.574
    3   1HB   MET   1          1HB       MET   1  -5.257  40.124  30.554
    4   2HB   MET   1          2HB       MET   1  -3.607  39.554  30.401
    5   1HG   MET   1          1HG       MET   1  -4.096  38.108  32.095
    6   2HG   MET   1          2HG       MET   1  -3.996  39.492  33.165
    7   1HE   MET   1          1HE       MET   1  -5.209  37.256  33.978
    8   2HE   MET   1          2HE       MET   1  -6.430  38.160  34.905
    9   3HE   MET   1          3HE       MET   1  -6.940  36.921  33.733
   10    H    VAL   2           H        VAL   2  -1.505  40.202  31.309
   11    HA   VAL   2           HA       VAL   2  -0.628  42.047  29.203
   12    HB   VAL   2           HB       VAL   2   0.881  41.130  31.653
   13   1HG1  VAL   2          1HG1      VAL   2   1.877  41.786  29.004
   14   2HG1  VAL   2          2HG1      VAL   2   2.487  42.930  30.224
   15   3HG1  VAL   2          3HG1      VAL   2   2.751  41.182  30.432
   16   1HG2  VAL   2          1HG2      VAL   2  -0.739  43.194  31.609
   17   2HG2  VAL   2          2HG2      VAL   2   0.863  43.331  32.373
   18   3HG2  VAL   2          3HG2      VAL   2   0.599  43.978  30.736
   19    H    ALA   3           H        ALA   3  -1.157  40.505  27.587
   20    HA   ALA   3           HA       ALA   3   0.862  38.678  27.001
   21   1HB   ALA   3          1HB       ALA   3  -0.388  36.551  27.306
   22   2HB   ALA   3          2HB       ALA   3  -0.054  37.360  28.856
   23   3HB   ALA   3          3HB       ALA   3  -1.681  37.447  28.139
   24    H    ALA   4           H        ALA   4   0.846  39.224  24.868
   25    HA   ALA   4           HA       ALA   4  -1.773  39.329  23.549
   26   1HB   ALA   4          1HB       ALA   4  -0.714  41.403  23.247
   27   2HB   ALA   4          2HB       ALA   4  -0.293  40.522  21.759
   28   3HB   ALA   4          3HB       ALA   4   0.897  40.666  23.075
   29    H    ALA   5           H        ALA   5  -1.397  36.805  23.894
   30    HA   ALA   5           HA       ALA   5  -0.927  34.823  23.017
   31   1HB   ALA   5          1HB       ALA   5  -1.522  34.573  20.762
   32   2HB   ALA   5          2HB       ALA   5  -2.327  36.095  21.214
   33   3HB   ALA   5          3HB       ALA   5  -0.802  36.133  20.296
   34    H    MET   6           H        MET   6   1.217  34.997  24.139
   35    HA   MET   6           HA       MET   6   3.265  34.559  22.180
   36   1HB   MET   6          1HB       MET   6   4.840  36.171  23.340
   37   2HB   MET   6          2HB       MET   6   3.489  36.988  22.579
   38   1HG   MET   6          1HG       MET   6   2.299  36.806  24.897
   39   2HG   MET   6          2HG       MET   6   3.875  36.389  25.540
   40   1HE   MET   6          1HE       MET   6   4.857  38.139  26.845
   41   2HE   MET   6          2HE       MET   6   5.992  38.003  25.481
   42   3HE   MET   6          3HE       MET   6   5.535  39.608  26.102
   43    H    LEU   7           H        LEU   7   2.068  32.627  23.708
   44    HA   LEU   7           HA       LEU   7   4.254  31.622  25.185
   45   1HB   LEU   7          1HB       LEU   7   3.353  31.581  27.386
   46   2HB   LEU   7          2HB       LEU   7   3.431  33.242  26.832
   47    HG   LEU   7           HG       LEU   7   0.829  31.976  26.322
   48   1HD1  LEU   7          1HD1      LEU   7   2.066  31.607  28.929
   49   2HD1  LEU   7          2HD1      LEU   7   0.560  32.549  29.029
   50   3HD1  LEU   7          3HD1      LEU   7   0.553  30.939  28.270
   51   1HD2  LEU   7          1HD2      LEU   7   1.712  34.531  27.691
   52   2HD2  LEU   7          2HD2      LEU   7   1.160  34.344  26.009
   53   3HD2  LEU   7          3HD2      LEU   7   0.023  34.083  27.352
   54    H    LEU   8           H        LEU   8   3.373  30.439  23.071
   55    HA   LEU   8           HA       LEU   8   2.301  28.021  23.969
   56   1HB   LEU   8          1HB       LEU   8   0.267  29.607  23.999
   57   2HB   LEU   8          2HB       LEU   8   0.332  29.507  22.251
   58    HG   LEU   8           HG       LEU   8   0.023  27.137  24.116
   59   1HD1  LEU   8          1HD1      LEU   8  -1.890  29.072  23.331
   60   2HD1  LEU   8          2HD1      LEU   8  -2.250  27.580  22.428
   61   3HD1  LEU   8          3HD1      LEU   8  -2.153  27.544  24.205
   62   1HD2  LEU   8          1HD2      LEU   8   0.561  27.372  21.240
   63   2HD2  LEU   8          2HD2      LEU   8   0.762  25.990  22.344
   64   3HD2  LEU   8          3HD2      LEU   8  -0.834  26.340  21.636
   65    H    ARG   9           H        ARG   9   3.882  26.966  22.838
   66    HA   ARG   9           HA       ARG   9   3.500  26.619  20.124
   67   1HB   ARG   9          1HB       ARG   9   5.643  27.632  19.264
   68   2HB   ARG   9          2HB       ARG   9   4.502  28.838  19.823
   69   1HG   ARG   9          1HG       ARG   9   5.709  28.836  22.070
   70   2HG   ARG   9          2HG       ARG   9   6.913  27.774  21.365
   71   1HD   ARG   9          1HD       ARG   9   7.214  29.569  19.520
   72   2HD   ARG   9          2HD       ARG   9   6.253  30.632  20.529
   73    HE   ARG   9           HE       ARG   9   8.023  30.746  22.104
   74   1HH1  ARG   9          1HH1      ARG   9  10.222  30.536  22.689
   75   2HH1  ARG   9          2HH1      ARG   9  11.250  29.452  21.814
   76   1HH2  ARG   9          1HH2      ARG   9   8.729  28.373  19.604
   77   2HH2  ARG   9          2HH2      ARG   9  10.395  28.213  20.047
   78    H    SER  10           H        SER  10   3.700  24.873  22.262
   79    HA   SER  10           HA       SER  10   6.429  23.893  22.201
   80   1HB   SER  10          1HB       SER  10   4.282  23.920  24.177
   81   2HB   SER  10          2HB       SER  10   4.847  22.280  23.926
   82    HG   SER  10           HG       SER  10   6.781  22.756  24.788
   83    H    CYS  11           H        CYS  11   4.700  23.668  19.843
   84    HA   CYS  11           HA       CYS  11   3.811  22.205  18.441
   85   1HB   CYS  11          1HB       CYS  11   6.417  21.545  18.896
   86   2HB   CYS  11          2HB       CYS  11   5.641  20.013  19.241
   87    HG   CYS  11           HG       CYS  11   5.295  21.949  16.575
   88    HA   PRO  12           HA       PRO  12   1.433  19.980  21.622
   89   1HB   PRO  12          1HB       PRO  12  -1.012  21.082  21.094
   90   2HB   PRO  12          2HB       PRO  12   0.070  21.697  22.328
   91   1HG   PRO  12          1HG       PRO  12  -0.531  22.822  19.661
   92   2HG   PRO  12          2HG       PRO  12   0.192  23.612  21.048
   93   1HD   PRO  12          1HD       PRO  12   1.553  22.677  18.702
   94   2HD   PRO  12          2HD       PRO  12   2.288  23.361  20.138
   95    H    VAL  13           H        VAL  13   0.054  20.795  18.468
   96    HA   VAL  13           HA       VAL  13   0.212  18.099  17.632
   97    HB   VAL  13           HB       VAL  13  -1.598  17.684  19.096
   98   1HG1  VAL  13          1HG1      VAL  13  -2.185  20.357  18.898
   99   2HG1  VAL  13          2HG1      VAL  13  -3.530  19.619  17.995
  100   3HG1  VAL  13          3HG1      VAL  13  -3.218  19.136  19.680
  101   1HG2  VAL  13          1HG2      VAL  13  -1.750  16.835  16.706
  102   2HG2  VAL  13          2HG2      VAL  13  -3.279  16.884  17.616
  103   3HG2  VAL  13          3HG2      VAL  13  -2.920  18.143  16.409
  104    H    LEU  14           H        LEU  14  -1.403  21.312  17.342
  105    HA   LEU  14           HA       LEU  14  -1.560  22.691  15.619
  106   1HB   LEU  14          1HB       LEU  14   0.680  21.022  14.891
  107   2HB   LEU  14          2HB       LEU  14  -0.226  21.482  13.463
  108    HG   LEU  14           HG       LEU  14   1.590  23.041  13.889
  109   1HD1  LEU  14          1HD1      LEU  14  -0.505  23.848  12.845
  110   2HD1  LEU  14          2HD1      LEU  14  -1.079  24.362  14.450
  111   3HD1  LEU  14          3HD1      LEU  14   0.367  25.118  13.738
  112   1HD2  LEU  14          1HD2      LEU  14   0.269  23.414  16.584
  113   2HD2  LEU  14          2HD2      LEU  14   1.932  22.884  16.229
  114   3HD2  LEU  14          3HD2      LEU  14   1.443  24.564  15.901
  115    H    SER  15           H        SER  15  -3.364  20.373  16.197
  116    HA   SER  15           HA       SER  15  -5.284  19.717  15.390
  117   1HB   SER  15          1HB       SER  15  -5.039  21.934  13.941
  118   2HB   SER  15          2HB       SER  15  -4.769  20.814  12.621
  119    HG   SER  15           HG       SER  15  -6.823  19.871  12.981
  120    H    GLN  16           H        GLN  16  -2.833  19.629  12.694
  121    HA   GLN  16           HA       GLN  16  -3.229  16.746  12.659
  122   1HB   GLN  16          1HB       GLN  16  -3.497  18.702  10.408
  123   2HB   GLN  16          2HB       GLN  16  -2.665  17.205  10.037
  124   1HG   GLN  16          1HG       GLN  16  -4.609  16.030  10.043
  125   2HG   GLN  16          2HG       GLN  16  -5.044  16.639  11.628
  126   1HE2  GLN  16          2HE2      GLN  16  -5.957  16.487   8.494
  127   2HE2  GLN  16          1HE2      GLN  16  -6.986  17.874   8.364
  128    H    GLY  17           H        GLY  17  -1.268  16.935  14.104
  129   1HA   GLY  17          1HA       GLY  17   0.975  17.197  14.469
  130   2HA   GLY  17          2HA       GLY  17   1.178  17.869  12.863
  131    HA   PRO  18           HA       PRO  18   2.141  13.270  13.025
  132   1HB   PRO  18          1HB       PRO  18   0.465  11.487  14.241
  133   2HB   PRO  18          2HB       PRO  18   1.813  12.248  15.062
  134   1HG   PRO  18          1HG       PRO  18  -1.075  12.825  15.313
  135   2HG   PRO  18          2HG       PRO  18   0.229  13.255  16.402
  136   1HD   PRO  18          1HD       PRO  18  -1.103  14.993  14.548
  137   2HD   PRO  18          2HD       PRO  18   0.277  15.392  15.553
  138    H    THR  19           H        THR  19   1.155  10.902  12.271
  139    HA   THR  19           HA       THR  19   0.204   9.881  10.541
  140    HB   THR  19           HB       THR  19  -1.897  12.073  10.956
  141    HG1  THR  19           HG1      THR  19  -1.176  10.406  12.671
  142   1HG2  THR  19          1HG2      THR  19  -1.725   9.805   9.053
  143   2HG2  THR  19          2HG2      THR  19  -3.145   9.711  10.122
  144   3HG2  THR  19          3HG2      THR  19  -2.893  11.148   9.102
  145    H    GLY  20           H        GLY  20   2.252  11.939  10.107
  146   1HA   GLY  20          1HA       GLY  20   2.515  13.698   8.418
  147   2HA   GLY  20          2HA       GLY  20   1.480  12.752   7.367
  148    H    LEU  21           H        LEU  21   2.255  10.350   7.025
  149    HA   LEU  21           HA       LEU  21   3.768   9.077   6.030
  150   1HB   LEU  21          1HB       LEU  21   4.576  11.586   5.327
  151   2HB   LEU  21          2HB       LEU  21   6.021  10.972   6.106
  152    HG   LEU  21           HG       LEU  21   4.647   9.306   4.016
  153   1HD1  LEU  21          1HD1      LEU  21   5.033  11.755   3.249
  154   2HD1  LEU  21          2HD1      LEU  21   6.753  11.299   3.227
  155   3HD1  LEU  21          3HD1      LEU  21   5.585  10.417   2.213
  156   1HD2  LEU  21          1HD2      LEU  21   6.724   8.725   5.591
  157   2HD2  LEU  21          2HD2      LEU  21   6.582   8.123   3.922
  158   3HD2  LEU  21          3HD2      LEU  21   7.602   9.538   4.273
  159    H    LEU  22           H        LEU  22   3.746   7.677   7.844
  160    HA   LEU  22           HA       LEU  22   6.222   7.831   9.384
  161   1HB   LEU  22          1HB       LEU  22   4.387   8.863  10.700
  162   2HB   LEU  22          2HB       LEU  22   3.504   7.352  10.613
  163    HG   LEU  22           HG       LEU  22   6.258   7.121  11.669
  164   1HD1  LEU  22          1HD1      LEU  22   4.543   9.199  12.668
  165   2HD1  LEU  22          2HD1      LEU  22   4.746   7.940  13.909
  166   3HD1  LEU  22          3HD1      LEU  22   6.175   8.726  13.197
  167   1HD2  LEU  22          1HD2      LEU  22   4.524   5.288  11.536
  168   2HD2  LEU  22          2HD2      LEU  22   5.286   5.524  13.127
  169   3HD2  LEU  22          3HD2      LEU  22   3.643   6.139  12.828
  170    H    GLY  23           H        GLY  23   3.212   5.835   8.938
  171   1HA   GLY  23          1HA       GLY  23   2.972   3.687   8.299
  172   2HA   GLY  23          2HA       GLY  23   4.240   3.365   9.465
  173    H    LYS  24           H        LYS  24   4.873   5.458   6.663
  174    HA   LYS  24           HA       LYS  24   5.805   3.377   4.976
  175   1HB   LYS  24          1HB       LYS  24   5.242   6.151   4.780
  176   2HB   LYS  24          2HB       LYS  24   6.921   5.950   4.323
  177   1HG   LYS  24          1HG       LYS  24   6.415   4.671   2.456
  178   2HG   LYS  24          2HG       LYS  24   5.026   3.915   3.212
  179   1HD   LYS  24          1HD       LYS  24   3.592   5.459   2.350
  180   2HD   LYS  24          2HD       LYS  24   4.588   6.796   2.887
  181   1HE   LYS  24          1HE       LYS  24   5.468   7.092   0.809
  182   2HE   LYS  24          2HE       LYS  24   5.885   5.396   0.668
  183    H    VAL  25           H        VAL  25   7.328   5.683   7.289
  184    HA   VAL  25           HA       VAL  25   9.961   4.792   6.677
  185    HB   VAL  25           HB       VAL  25   8.765   6.425   8.918
  186   1HG1  VAL  25          1HG1      VAL  25  11.470   5.295   8.608
  187   2HG1  VAL  25          2HG1      VAL  25  11.435   7.051   8.902
  188   3HG1  VAL  25          3HG1      VAL  25  10.651   5.940  10.050
  189   1HG2  VAL  25          1HG2      VAL  25  10.142   7.074   6.314
  190   2HG2  VAL  25          2HG2      VAL  25   8.605   7.695   6.963
  191   3HG2  VAL  25          3HG2      VAL  25  10.150   8.229   7.669
  192    H    ALA  26           H        ALA  26   7.302   3.527   8.496
  193    HA   ALA  26           HA       ALA  26   9.121   1.880  10.099
  194   1HB   ALA  26          1HB       ALA  26   7.446   1.750  11.680
  195   2HB   ALA  26          2HB       ALA  26   6.145   1.880  10.472
  196   3HB   ALA  26          3HB       ALA  26   7.049   3.332  10.966
  197    H    LYS  27           H        LYS  27   9.266   1.222   7.461
  198    HA   LYS  27           HA       LYS  27   8.529  -1.436   7.432
  199   1HB   LYS  27          1HB       LYS  27   6.272   0.135   6.969
  200   2HB   LYS  27          2HB       LYS  27   6.776  -0.352   5.363
  201   1HG   LYS  27          1HG       LYS  27   6.920  -2.749   6.200
  202   2HG   LYS  27          2HG       LYS  27   6.263  -2.210   7.733
  203   1HD   LYS  27          1HD       LYS  27   4.820  -1.639   5.115
  204   2HD   LYS  27          2HD       LYS  27   4.605  -3.163   5.954
  205   1HE   LYS  27          1HE       LYS  27   3.273  -2.222   7.554
  206   2HE   LYS  27          2HE       LYS  27   4.362  -0.869   7.788
  207    H    THR  28           H        THR  28   8.673   1.439   5.215
  208    HA   THR  28           HA       THR  28   9.934   0.136   3.114
  209    HB   THR  28           HB       THR  28   9.996   3.038   4.093
  210    HG1  THR  28           HG1      THR  28   8.265   3.093   2.486
  211   1HG2  THR  28          1HG2      THR  28  11.558   1.855   2.013
  212   2HG2  THR  28          2HG2      THR  28  10.174   2.631   1.207
  213   3HG2  THR  28          3HG2      THR  28  11.243   3.589   2.259
  214    H    TYR  29           H        TYR  29  11.431   2.003   5.839
  215    HA   TYR  29           HA       TYR  29  14.059   1.489   5.019
  216   1HB   TYR  29          1HB       TYR  29  13.124   3.224   6.677
  217   2HB   TYR  29          2HB       TYR  29  12.799   1.918   7.800
  218    HD1  TYR  29           HD1      TYR  29  14.540   0.980   9.163
  219    HD2  TYR  29           HD2      TYR  29  15.492   3.831   6.118
  220    HE1  TYR  29           HE1      TYR  29  16.884   1.228  10.117
  221    HE2  TYR  29           HE2      TYR  29  17.832   4.069   7.082
  222    HH   TYR  29           HH       TYR  29  18.645   3.005  10.122
  223    H    GLN  30           H        GLN  30  11.699  -0.391   6.916
  224    HA   GLN  30           HA       GLN  30  13.442  -2.057   8.216
  225   1HB   GLN  30          1HB       GLN  30  10.825  -1.816   8.320
  226   2HB   GLN  30          2HB       GLN  30  10.815  -3.053   7.079
  227   1HG   GLN  30          1HG       GLN  30  11.662  -4.701   8.503
  228   2HG   GLN  30          2HG       GLN  30  12.542  -3.553   9.491
  229   1HE2  GLN  30          2HE2      GLN  30  11.420  -5.141  11.036
  230   2HE2  GLN  30          1HE2      GLN  30   9.906  -4.631  11.704
  231    H    PHE  31           H        PHE  31  12.807  -1.739   4.823
  232    HA   PHE  31           HA       PHE  31  13.953  -4.394   4.333
  233   1HB   PHE  31          1HB       PHE  31  11.645  -3.582   3.386
  234   2HB   PHE  31          2HB       PHE  31  12.556  -2.441   2.416
  235    HD1  PHE  31           HD1      PHE  31  14.588  -3.620   1.077
  236    HD2  PHE  31           HD2      PHE  31  11.030  -5.545   2.360
  237    HE1  PHE  31           HE1      PHE  31  14.897  -5.372  -0.693
  238    HE2  PHE  31           HE2      PHE  31  11.340  -7.297   0.590
  239    HZ   PHE  31           HZ       PHE  31  13.270  -7.190  -0.915
  240    H    LEU  32           H        LEU  32  14.257  -0.877   3.760
  241    HA   LEU  32           HA       LEU  32  16.629  -1.356   2.134
  242   1HB   LEU  32          1HB       LEU  32  15.108   1.180   2.755
  243   2HB   LEU  32          2HB       LEU  32  16.512   1.070   1.713
  244    HG   LEU  32           HG       LEU  32  13.934  -0.430   1.193
  245   1HD1  LEU  32          1HD1      LEU  32  14.823   2.275   0.160
  246   2HD1  LEU  32          2HD1      LEU  32  13.491   1.317  -0.530
  247   3HD1  LEU  32          3HD1      LEU  32  13.388   1.906   1.146
  248   1HD2  LEU  32          1HD2      LEU  32  16.425  -0.874   0.150
  249   2HD2  LEU  32          2HD2      LEU  32  14.886  -1.280  -0.647
  250   3HD2  LEU  32          3HD2      LEU  32  15.720   0.241  -1.044
  251    H    PHE  33           H        PHE  33  16.362  -1.923   5.117
  252    HA   PHE  33           HA       PHE  33  17.832   0.101   6.440
  253   1HB   PHE  33          1HB       PHE  33  16.486  -1.357   7.790
  254   2HB   PHE  33          2HB       PHE  33  16.945  -2.778   6.872
  255    HD1  PHE  33           HD1      PHE  33  18.704  -0.180   8.916
  256    HD2  PHE  33           HD2      PHE  33  18.214  -4.301   8.027
  257    HE1  PHE  33           HE1      PHE  33  20.408  -0.760  10.665
  258    HE2  PHE  33           HE2      PHE  33  19.919  -4.880   9.776
  259    HZ   PHE  33           HZ       PHE  33  20.995  -3.103  11.074
  260    H    SER  34           H        SER  34  18.691  -3.214   5.217
  261    HA   SER  34           HA       SER  34  21.399  -2.225   4.927
  262   1HB   SER  34          1HB       SER  34  21.356  -3.428   7.082
  263   2HB   SER  34          2HB       SER  34  20.634  -4.829   6.318
  264    HG   SER  34           HG       SER  34  22.710  -4.604   4.854
  265    H    ILE  35           H        ILE  35  20.996  -2.161   2.635
  266    HA   ILE  35           HA       ILE  35  20.065  -4.563   1.347
  267    HB   ILE  35           HB       ILE  35  20.954  -1.872   0.308
  268   1HG1  ILE  35          1HG1      ILE  35  18.883  -1.783   1.581
  269   2HG1  ILE  35          2HG1      ILE  35  18.573  -1.518  -0.123
  270   1HG2  ILE  35          1HG2      ILE  35  20.773  -4.342  -1.094
  271   2HG2  ILE  35          2HG2      ILE  35  19.407  -3.319  -1.601
  272   3HG2  ILE  35          3HG2      ILE  35  21.074  -2.710  -1.739
  273   1HD1  ILE  35          1HD1      ILE  35  17.988  -3.984  -0.334
  274   2HD1  ILE  35          2HD1      ILE  35  18.120  -4.099   1.437
  275   3HD1  ILE  35          3HD1      ILE  35  16.883  -3.051   0.703
  276    H    GLY  36           H        GLY  36  22.704  -2.666  -0.064
  277   1HA   GLY  36          1HA       GLY  36  24.247  -5.059  -0.459
  278   2HA   GLY  36          2HA       GLY  36  24.951  -3.982   0.731
  279    H    ARG  37           H        ARG  37  23.205  -3.527  -2.435
  280    HA   ARG  37           HA       ARG  37  25.579  -2.210  -3.407
  281   1HB   ARG  37          1HB       ARG  37  23.871  -3.994  -4.613
  282   2HB   ARG  37          2HB       ARG  37  23.167  -2.488  -5.167
  283   1HG   ARG  37          1HG       ARG  37  25.352  -1.758  -6.077
  284   2HG   ARG  37          2HG       ARG  37  26.127  -3.194  -5.439
  285   1HD   ARG  37          1HD       ARG  37  23.920  -4.157  -6.957
  286   2HD   ARG  37          2HD       ARG  37  24.616  -2.871  -7.924
  287    HE   ARG  37           HE       ARG  37  26.746  -4.499  -6.914
  288   1HH1  ARG  37          1HH1      ARG  37  27.781  -6.027  -8.262
  289   2HH1  ARG  37          2HH1      ARG  37  26.989  -6.595  -9.693
  290   1HH2  ARG  37          1HH2      ARG  37  24.092  -4.648  -9.220
  291   2HH2  ARG  37          2HH2      ARG  37  24.876  -5.805 -10.242
  292    H    CYS  38           H        CYS  38  24.631  -0.571  -1.526
  293    HA   CYS  38           HA       CYS  38  22.492   1.002  -1.864
  294   1HB   CYS  38          1HB       CYS  38  23.701   2.766  -0.690
  295   2HB   CYS  38          2HB       CYS  38  24.053   1.202   0.017
  296    HG   CYS  38           HG       CYS  38  25.830   2.690  -2.350
  297    HA   PRO  39           HA       PRO  39  23.129   3.186  -5.580
  298   1HB   PRO  39          1HB       PRO  39  21.583   5.405  -5.189
  299   2HB   PRO  39          2HB       PRO  39  20.926   3.852  -5.663
  300   1HG   PRO  39          1HG       PRO  39  20.833   5.175  -3.021
  301   2HG   PRO  39          2HG       PRO  39  19.845   3.860  -3.625
  302   1HD   PRO  39          1HD       PRO  39  22.036   3.655  -1.786
  303   2HD   PRO  39          2HD       PRO  39  21.123   2.330  -2.480
  304    H    ILE  40           H        ILE  40  24.718   4.317  -6.528
  305    HA   ILE  40           HA       ILE  40  26.038   6.196  -4.703
  306    HB   ILE  40           HB       ILE  40  27.494   4.441  -5.287
  307   1HG1  ILE  40          1HG1      ILE  40  28.582   6.264  -7.314
  308   2HG1  ILE  40          2HG1      ILE  40  28.051   7.091  -5.863
  309   1HG2  ILE  40          1HG2      ILE  40  26.329   4.747  -8.026
  310   2HG2  ILE  40          2HG2      ILE  40  27.994   4.139  -7.857
  311   3HG2  ILE  40          3HG2      ILE  40  26.648   3.279  -7.071
  312   1HD1  ILE  40          1HD1      ILE  40  29.333   4.982  -4.709
  313   2HD1  ILE  40          2HD1      ILE  40  30.262   5.111  -6.222
  314   3HD1  ILE  40          3HD1      ILE  40  30.152   6.507  -5.124
  315    H    LEU  41           H        LEU  41  24.418   5.769  -7.832
  316    HA   LEU  41           HA       LEU  41  25.233   8.279  -8.877
  317   1HB   LEU  41          1HB       LEU  41  23.632   5.998  -9.679
  318   2HB   LEU  41          2HB       LEU  41  22.854   7.505 -10.121
  319    HG   LEU  41           HG       LEU  41  24.222   6.658 -11.944
  320   1HD1  LEU  41          1HD1      LEU  41  23.956   9.082 -11.707
  321   2HD1  LEU  41          2HD1      LEU  41  25.434   9.151 -10.717
  322   3HD1  LEU  41          3HD1      LEU  41  25.530   8.660 -12.425
  323   1HD2  LEU  41          1HD2      LEU  41  25.961   5.784 -10.010
  324   2HD2  LEU  41          2HD2      LEU  41  26.293   5.836 -11.758
  325   3HD2  LEU  41          3HD2      LEU  41  26.835   7.168 -10.709
  326    H    ALA  42           H        ALA  42  22.096   7.071  -7.490
  327    HA   ALA  42           HA       ALA  42  20.468   8.127  -6.429
  328   1HB   ALA  42          1HB       ALA  42  21.851   8.849  -4.706
  329   2HB   ALA  42          2HB       ALA  42  22.844   9.859  -5.783
  330   3HB   ALA  42          3HB       ALA  42  21.219  10.402  -5.303
  331    H    THR  43           H        THR  43  18.806   8.811  -7.679
  332    HA   THR  43           HA       THR  43  17.597  10.038  -9.083
  333    HB   THR  43           HB       THR  43  19.601  12.171  -8.183
  334    HG1  THR  43           HG1      THR  43  18.261  11.551  -6.471
  335   1HG2  THR  43          1HG2      THR  43  17.293  12.280 -10.083
  336   2HG2  THR  43          2HG2      THR  43  17.240  13.473  -8.764
  337   3HG2  THR  43          3HG2      THR  43  18.635  13.429  -9.869
  338    H    GLN  44           H        GLN  44  18.750   8.337 -10.542
  339    HA   GLN  44           HA       GLN  44  20.251   9.834 -12.545
  340   1HB   GLN  44          1HB       GLN  44  21.156   7.622 -13.267
  341   2HB   GLN  44          2HB       GLN  44  21.562   7.999 -11.605
  342   1HG   GLN  44          1HG       GLN  44  19.036   6.655 -11.527
  343   2HG   GLN  44          2HG       GLN  44  20.039   5.749 -12.641
  344   1HE2  GLN  44          2HE2      GLN  44  19.601   6.860  -9.382
  345   2HE2  GLN  44          1HE2      GLN  44  20.797   5.874  -8.610
  346    H    GLY  45           H        GLY  45  17.350   8.013 -11.798
  347   1HA   GLY  45          1HA       GLY  45  15.690   7.170 -13.112
  348   2HA   GLY  45          2HA       GLY  45  16.668   7.432 -14.543
  349    HA   PRO  46           HA       PRO  46  13.873  10.753 -15.169
  350   1HB   PRO  46          1HB       PRO  46  11.275   9.908 -15.098
  351   2HB   PRO  46          2HB       PRO  46  12.335   9.633 -16.466
  352   1HG   PRO  46          1HG       PRO  46  11.431   7.714 -14.406
  353   2HG   PRO  46          2HG       PRO  46  12.122   7.388 -15.984
  354   1HD   PRO  46          1HD       PRO  46  13.456   7.191 -13.452
  355   2HD   PRO  46          2HD       PRO  46  14.176   6.977 -15.035
  356    H    THR  47           H        THR  47  12.443  12.485 -14.443
  357    HA   THR  47           HA       THR  47  12.807  12.860 -11.670
  358    HB   THR  47           HB       THR  47  12.759  14.776 -13.136
  359    HG1  THR  47           HG1      THR  47  11.591  15.506 -11.383
  360   1HG2  THR  47          1HG2      THR  47  10.656  13.303 -14.486
  361   2HG2  THR  47          2HG2      THR  47  10.003  14.874 -13.962
  362   3HG2  THR  47          3HG2      THR  47  11.445  14.812 -15.003
  363    H    CYS  48           H        CYS  48  10.144  11.540 -13.630
  364    HA   CYS  48           HA       CYS  48   8.842  10.875 -11.105
  365   1HB   CYS  48          1HB       CYS  48   6.641  11.400 -12.007
  366   2HB   CYS  48          2HB       CYS  48   7.654  12.830 -11.999
  367    HG   CYS  48           HG       CYS  48   7.190  10.734 -14.525
  368    H    SER  49           H        SER  49   7.682   8.831 -11.208
  369    HA   SER  49           HA       SER  49   7.574   6.728 -11.775
  370   1HB   SER  49          1HB       SER  49   6.587   6.242 -13.990
  371   2HB   SER  49          2HB       SER  49   5.826   7.639 -13.255
  372    HG   SER  49           HG       SER  49   7.370   7.460 -15.587

  No H/Q in entry =         372
  Start of MODEL    2
    1    H    MET   1           H        MET   1   5.738  45.147  10.628
    2    HA   MET   1           HA       MET   1   6.983  47.281  10.889
    3   1HB   MET   1          1HB       MET   1   6.267  49.080   9.290
    4   2HB   MET   1          2HB       MET   1   7.059  47.765   8.444
    5   1HG   MET   1          1HG       MET   1   5.135  47.134   7.341
    6   2HG   MET   1          2HG       MET   1   4.115  47.418   8.737
    7   1HE   MET   1          1HE       MET   1   6.719  49.636   6.883
    8   2HE   MET   1          2HE       MET   1   5.763  48.970   5.538
    9   3HE   MET   1          3HE       MET   1   5.683  50.708   5.910
   10    H    VAL   2           H        VAL   2   3.941  45.769  10.653
   11    HA   VAL   2           HA       VAL   2   2.634  47.948  12.119
   12    HB   VAL   2           HB       VAL   2   1.522  47.265  10.077
   13   1HG1  VAL   2          1HG1      VAL   2   1.524  44.487  11.300
   14   2HG1  VAL   2          2HG1      VAL   2   0.552  44.964   9.888
   15   3HG1  VAL   2          3HG1      VAL   2   2.329  45.011   9.801
   16   1HG2  VAL   2          1HG2      VAL   2   0.230  47.890  12.176
   17   2HG2  VAL   2          2HG2      VAL   2  -0.672  46.976  10.944
   18   3HG2  VAL   2          3HG2      VAL   2  -0.069  46.150  12.401
   19    H    ALA   3           H        ALA   3   4.490  46.807  13.675
   20    HA   ALA   3           HA       ALA   3   4.590  45.989  15.756
   21   1HB   ALA   3          1HB       ALA   3   2.005  46.397  15.711
   22   2HB   ALA   3          2HB       ALA   3   2.686  45.299  16.936
   23   3HB   ALA   3          3HB       ALA   3   1.903  44.635  15.482
   24    H    ALA   4           H        ALA   4   5.775  44.204  16.348
   25    HA   ALA   4           HA       ALA   4   5.352  41.783  14.739
   26   1HB   ALA   4          1HB       ALA   4   8.095  42.593  15.678
   27   2HB   ALA   4          2HB       ALA   4   7.415  43.360  14.223
   28   3HB   ALA   4          3HB       ALA   4   7.622  41.593  14.283
   29    H    ALA   5           H        ALA   5   3.928  41.323  16.682
   30    HA   ALA   5           HA       ALA   5   5.044  41.095  19.241
   31   1HB   ALA   5          1HB       ALA   5   2.544  40.948  18.135
   32   2HB   ALA   5          2HB       ALA   5   2.936  40.444  19.796
   33   3HB   ALA   5          3HB       ALA   5   2.859  39.233  18.494
   34    H    MET   6           H        MET   6   4.275  38.523  16.781
   35    HA   MET   6           HA       MET   6   5.181  36.589  16.377
   36   1HB   MET   6          1HB       MET   6   7.340  38.281  16.711
   37   2HB   MET   6          2HB       MET   6   7.703  37.085  17.939
   38   1HG   MET   6          1HG       MET   6   7.835  35.307  16.351
   39   2HG   MET   6          2HG       MET   6   6.941  36.197  15.135
   40   1HE   MET   6          1HE       MET   6   8.396  35.369  13.649
   41   2HE   MET   6          2HE       MET   6   9.230  36.743  12.884
   42   3HE   MET   6          3HE       MET   6  10.175  35.447  13.656
   43    H    LEU   7           H        LEU   7   3.564  35.639  17.846
   44    HA   LEU   7           HA       LEU   7   4.885  34.239  20.017
   45   1HB   LEU   7          1HB       LEU   7   4.046  36.205  21.122
   46   2HB   LEU   7          2HB       LEU   7   2.462  35.997  20.402
   47    HG   LEU   7           HG       LEU   7   2.577  33.655  21.665
   48   1HD1  LEU   7          1HD1      LEU   7   4.762  35.251  22.860
   49   2HD1  LEU   7          2HD1      LEU   7   3.652  34.467  24.010
   50   3HD1  LEU   7          3HD1      LEU   7   4.516  33.489  22.799
   51   1HD2  LEU   7          1HD2      LEU   7   1.163  35.946  21.968
   52   2HD2  LEU   7          2HD2      LEU   7   0.968  34.502  22.991
   53   3HD2  LEU   7          3HD2      LEU   7   1.982  35.856  23.546
   54    H    LEU   8           H        LEU   8   4.581  32.834  17.917
   55    HA   LEU   8           HA       LEU   8   3.536  31.189  16.873
   56   1HB   LEU   8          1HB       LEU   8   3.002  30.892  19.703
   57   2HB   LEU   8          2HB       LEU   8   1.718  30.180  18.746
   58    HG   LEU   8           HG       LEU   8   3.978  29.234  17.476
   59   1HD1  LEU   8          1HD1      LEU   8   4.795  30.095  20.091
   60   2HD1  LEU   8          2HD1      LEU   8   4.894  28.321  19.987
   61   3HD1  LEU   8          3HD1      LEU   8   5.753  29.331  18.799
   62   1HD2  LEU   8          1HD2      LEU   8   2.355  27.952  19.690
   63   2HD2  LEU   8          2HD2      LEU   8   1.993  27.934  17.947
   64   3HD2  LEU   8          3HD2      LEU   8   3.430  27.085  18.567
   65    H    ARG   9           H        ARG   9   2.589  33.261  15.729
   66    HA   ARG   9           HA       ARG   9  -0.059  32.616  15.167
   67   1HB   ARG   9          1HB       ARG   9  -1.153  34.744  15.893
   68   2HB   ARG   9          2HB       ARG   9  -0.560  33.827  17.263
   69   1HG   ARG   9          1HG       ARG   9   0.947  35.444  17.844
   70   2HG   ARG   9          2HG       ARG   9   1.483  35.668  16.191
   71   1HD   ARG   9          1HD       ARG   9   0.235  37.555  15.996
   72   2HD   ARG   9          2HD       ARG   9  -1.224  36.677  16.408
   73    HE   ARG   9           HE       ARG   9   0.451  37.286  18.735
   74   1HH1  ARG   9          1HH1      ARG   9  -0.370  38.756  20.280
   75   2HH1  ARG   9          2HH1      ARG   9  -1.729  39.756  19.886
   76   1HH2  ARG   9          1HH2      ARG   9  -2.092  38.488  16.621
   77   2HH2  ARG   9          2HH2      ARG   9  -2.715  39.602  17.791
   78    H    SER  10           H        SER  10   1.841  32.627  13.369
   79    HA   SER  10           HA       SER  10   1.297  34.969  11.814
   80   1HB   SER  10          1HB       SER  10   4.057  34.288  12.851
   81   2HB   SER  10          2HB       SER  10   3.892  35.054  11.283
   82    HG   SER  10           HG       SER  10   2.991  36.880  12.212
   83    H    CYS  11           H        CYS  11   3.511  32.080  12.027
   84    HA   CYS  11           HA       CYS  11   3.163  31.581   9.228
   85   1HB   CYS  11          1HB       CYS  11   4.920  30.607  11.385
   86   2HB   CYS  11          2HB       CYS  11   4.441  29.361  10.249
   87    HG   CYS  11           HG       CYS  11   6.281  29.940   8.844
   88    HA   PRO  12           HA       PRO  12  -0.161  28.810   9.740
   89   1HB   PRO  12          1HB       PRO  12   0.068  27.259   7.502
   90   2HB   PRO  12          2HB       PRO  12  -0.653  28.856   7.491
   91   1HG   PRO  12          1HG       PRO  12   2.005  28.015   6.507
   92   2HG   PRO  12          2HG       PRO  12   1.107  29.473   6.133
   93   1HD   PRO  12          1HD       PRO  12   3.344  29.245   7.913
   94   2HD   PRO  12          2HD       PRO  12   2.374  30.676   7.627
   95    H    VAL  13           H        VAL  13  -0.633  26.208   9.195
   96    HA   VAL  13           HA       VAL  13   1.132  25.014  11.167
   97    HB   VAL  13           HB       VAL  13  -1.416  24.048   9.852
   98   1HG1  VAL  13          1HG1      VAL  13   0.568  22.635  11.387
   99   2HG1  VAL  13          2HG1      VAL  13  -0.947  22.727  12.316
  100   3HG1  VAL  13          3HG1      VAL  13  -0.949  22.030  10.678
  101   1HG2  VAL  13          1HG2      VAL  13  -0.848  25.741  12.212
  102   2HG2  VAL  13          2HG2      VAL  13  -2.308  25.626  11.201
  103   3HG2  VAL  13          3HG2      VAL  13  -2.016  24.426  12.482
  104    H    LEU  14           H        LEU  14   0.802  25.303   7.749
  105    HA   LEU  14           HA       LEU  14   2.217  24.517   6.193
  106   1HB   LEU  14          1HB       LEU  14   3.639  23.843   8.338
  107   2HB   LEU  14          2HB       LEU  14   3.182  22.228   7.836
  108    HG   LEU  14           HG       LEU  14   4.453  24.171   5.908
  109   1HD1  LEU  14          1HD1      LEU  14   5.730  22.634   8.116
  110   2HD1  LEU  14          2HD1      LEU  14   6.556  22.658   6.539
  111   3HD1  LEU  14          3HD1      LEU  14   6.188  24.186   7.374
  112   1HD2  LEU  14          1HD2      LEU  14   3.267  22.040   5.150
  113   2HD2  LEU  14          2HD2      LEU  14   4.935  22.293   4.583
  114   3HD2  LEU  14          3HD2      LEU  14   4.610  21.157   5.915
  115    H    SER  15           H        SER  15   0.599  22.017   8.251
  116    HA   SER  15           HA       SER  15  -1.015  20.631   7.715
  117   1HB   SER  15          1HB       SER  15  -1.601  22.365   5.860
  118   2HB   SER  15          2HB       SER  15  -0.766  21.288   4.759
  119    HG   SER  15           HG       SER  15  -2.753  20.182   6.495
  120    H    GLN  16           H        GLN  16   1.470  20.768   5.056
  121    HA   GLN  16           HA       GLN  16   1.715  17.881   5.348
  122   1HB   GLN  16          1HB       GLN  16   1.781  19.721   3.049
  123   2HB   GLN  16          2HB       GLN  16   3.149  18.626   3.058
  124   1HG   GLN  16          1HG       GLN  16   1.326  16.771   3.578
  125   2HG   GLN  16          2HG       GLN  16   0.193  17.956   2.958
  126   1HE2  GLN  16          2HE2      GLN  16  -0.141  18.051   0.866
  127   2HE2  GLN  16          1HE2      GLN  16   0.849  17.369  -0.380
  128    H    GLY  17           H        GLY  17   2.932  18.759   7.435
  129   1HA   GLY  17          1HA       GLY  17   5.042  19.970   7.999
  130   2HA   GLY  17          2HA       GLY  17   5.780  19.064   6.692
  131    HA   PRO  18           HA       PRO  18   5.704  16.618  10.669
  132   1HB   PRO  18          1HB       PRO  18   3.643  16.795  12.455
  133   2HB   PRO  18          2HB       PRO  18   5.060  17.824  12.521
  134   1HG   PRO  18          1HG       PRO  18   2.328  18.488  11.608
  135   2HG   PRO  18          2HG       PRO  18   3.621  19.572  12.080
  136   1HD   PRO  18          1HD       PRO  18   2.766  18.982   9.406
  137   2HD   PRO  18          2HD       PRO  18   4.132  19.975   9.875
  138    H    THR  19           H        THR  19   4.776  14.589  11.786
  139    HA   THR  19           HA       THR  19   4.096  12.520  11.200
  140    HB   THR  19           HB       THR  19   1.707  12.369  11.469
  141    HG1  THR  19           HG1      THR  19   1.231  13.739   9.599
  142   1HG2  THR  19          1HG2      THR  19   2.562  15.108  12.547
  143   2HG2  THR  19          2HG2      THR  19   1.080  14.245  13.022
  144   3HG2  THR  19          3HG2      THR  19   2.675  13.564  13.426
  145    H    GLY  20           H        GLY  20   5.356  12.139   9.327
  146   1HA   GLY  20          1HA       GLY  20   5.651  12.411   6.969
  147   2HA   GLY  20          2HA       GLY  20   3.915  12.569   6.785
  148    H    LEU  21           H        LEU  21   2.721  10.522   8.035
  149    HA   LEU  21           HA       LEU  21   2.380   8.329   8.124
  150   1HB   LEU  21          1HB       LEU  21   3.167   8.998   5.363
  151   2HB   LEU  21          2HB       LEU  21   3.220   7.290   5.753
  152    HG   LEU  21           HG       LEU  21   0.755   8.716   6.586
  153   1HD1  LEU  21          1HD1      LEU  21   1.414   9.687   4.317
  154   2HD1  LEU  21          2HD1      LEU  21   1.103   8.061   3.661
  155   3HD1  LEU  21          3HD1      LEU  21  -0.207   8.965   4.460
  156   1HD2  LEU  21          1HD2      LEU  21   1.634   6.039   6.098
  157   2HD2  LEU  21          2HD2      LEU  21   0.093   6.611   6.782
  158   3HD2  LEU  21          3HD2      LEU  21   0.262   6.399   5.023
  159    H    LEU  22           H        LEU  22   3.934   8.071   9.897
  160    HA   LEU  22           HA       LEU  22   6.618   7.451   9.429
  161   1HB   LEU  22          1HB       LEU  22   6.142   8.133  11.568
  162   2HB   LEU  22          2HB       LEU  22   4.694   7.153  11.690
  163    HG   LEU  22           HG       LEU  22   6.788   6.525  13.080
  164   1HD1  LEU  22          1HD1      LEU  22   4.618   5.062  12.062
  165   2HD1  LEU  22          2HD1      LEU  22   6.040   4.007  11.880
  166   3HD1  LEU  22          3HD1      LEU  22   5.627   4.676  13.477
  167   1HD2  LEU  22          1HD2      LEU  22   8.146   6.573  10.805
  168   2HD2  LEU  22          2HD2      LEU  22   8.562   5.453  12.125
  169   3HD2  LEU  22          3HD2      LEU  22   7.615   4.875  10.733
  170    H    GLY  23           H        GLY  23   3.805   5.263  10.162
  171   1HA   GLY  23          1HA       GLY  23   3.363   3.186   9.386
  172   2HA   GLY  23          2HA       GLY  23   4.973   2.837   9.982
  173    H    LYS  24           H        LYS  24   4.156   5.049   7.256
  174    HA   LYS  24           HA       LYS  24   4.711   3.125   5.253
  175   1HB   LYS  24          1HB       LYS  24   3.314   5.362   5.219
  176   2HB   LYS  24          2HB       LYS  24   4.848   6.086   4.778
  177   1HG   LYS  24          1HG       LYS  24   4.472   3.647   3.240
  178   2HG   LYS  24          2HG       LYS  24   3.039   4.645   3.089
  179   1HD   LYS  24          1HD       LYS  24   4.125   6.231   1.849
  180   2HD   LYS  24          2HD       LYS  24   5.532   6.220   2.894
  181   1HE   LYS  24          1HE       LYS  24   5.930   3.814   1.752
  182   2HE   LYS  24          2HE       LYS  24   4.944   4.507   0.480
  183    H    VAL  25           H        VAL  25   6.591   5.731   6.885
  184    HA   VAL  25           HA       VAL  25   8.886   5.276   5.251
  185    HB   VAL  25           HB       VAL  25   8.407   6.810   7.810
  186   1HG1  VAL  25          1HG1      VAL  25  10.908   6.089   6.480
  187   2HG1  VAL  25          2HG1      VAL  25  10.694   7.851   6.618
  188   3HG1  VAL  25          3HG1      VAL  25  10.631   6.830   8.074
  189   1HG2  VAL  25          1HG2      VAL  25   8.428   7.519   4.883
  190   2HG2  VAL  25          2HG2      VAL  25   7.248   7.946   6.145
  191   3HG2  VAL  25          3HG2      VAL  25   8.840   8.743   6.108
  192    H    ALA  26           H        ALA  26   7.405   3.667   7.920
  193    HA   ALA  26           HA       ALA  26   9.780   2.731   9.165
  194   1HB   ALA  26          1HB       ALA  26   8.316   1.529  10.545
  195   2HB   ALA  26          2HB       ALA  26   7.102   1.336   9.258
  196   3HB   ALA  26          3HB       ALA  26   7.321   2.918  10.044
  197    H    LYS  27           H        LYS  27   7.287   1.056   7.104
  198    HA   LYS  27           HA       LYS  27   8.600  -1.292   6.754
  199   1HB   LYS  27          1HB       LYS  27   6.271  -0.456   5.948
  200   2HB   LYS  27          2HB       LYS  27   7.110   0.013   4.483
  201   1HG   LYS  27          1HG       LYS  27   7.611  -2.761   5.553
  202   2HG   LYS  27          2HG       LYS  27   6.061  -2.450   4.797
  203   1HD   LYS  27          1HD       LYS  27   8.468  -1.446   3.318
  204   2HD   LYS  27          2HD       LYS  27   8.292  -3.187   3.402
  205   1HE   LYS  27          1HE       LYS  27   6.001  -1.368   2.539
  206   2HE   LYS  27          2HE       LYS  27   7.169  -2.001   1.396
  207    H    THR  28           H        THR  28   8.877   1.635   4.615
  208    HA   THR  28           HA       THR  28  10.682   0.761   2.817
  209    HB   THR  28           HB       THR  28  10.491   3.439   4.289
  210    HG1  THR  28           HG1      THR  28   9.573   2.238   1.772
  211   1HG2  THR  28          1HG2      THR  28  12.167   2.526   1.948
  212   2HG2  THR  28          2HG2      THR  28  11.361   4.108   1.824
  213   3HG2  THR  28          3HG2      THR  28  12.509   3.795   3.148
  214    H    TYR  29           H        TYR  29  11.618   2.206   6.015
  215    HA   TYR  29           HA       TYR  29  14.339   1.574   5.668
  216   1HB   TYR  29          1HB       TYR  29  12.820   3.151   7.298
  217   2HB   TYR  29          2HB       TYR  29  12.902   1.753   8.351
  218    HD1  TYR  29           HD1      TYR  29  15.238   0.867   8.994
  219    HD2  TYR  29           HD2      TYR  29  14.589   4.709   7.227
  220    HE1  TYR  29           HE1      TYR  29  17.503   1.648   9.844
  221    HE2  TYR  29           HE2      TYR  29  16.856   5.477   8.083
  222    HH   TYR  29           HH       TYR  29  19.148   3.275   9.341
  223    H    GLN  30           H        GLN  30  11.583  -0.105   7.278
  224    HA   GLN  30           HA       GLN  30  12.973  -1.991   8.637
  225   1HB   GLN  30          1HB       GLN  30  10.495  -1.635   8.707
  226   2HB   GLN  30          2HB       GLN  30  10.349  -2.386   7.131
  227   1HG   GLN  30          1HG       GLN  30  10.208  -4.402   8.156
  228   2HG   GLN  30          2HG       GLN  30  11.876  -4.220   8.661
  229   1HE2  GLN  30          2HE2      GLN  30  12.237  -4.386  10.728
  230   2HE2  GLN  30          1HE2      GLN  30  11.147  -4.020  12.023
  231    H    PHE  31           H        PHE  31  12.702  -1.560   5.183
  232    HA   PHE  31           HA       PHE  31  13.780  -4.256   4.767
  233   1HB   PHE  31          1HB       PHE  31  11.582  -3.095   3.649
  234   2HB   PHE  31          2HB       PHE  31  12.781  -2.378   2.591
  235    HD1  PHE  31           HD1      PHE  31  10.487  -4.814   2.586
  236    HD2  PHE  31           HD2      PHE  31  14.673  -4.419   2.010
  237    HE1  PHE  31           HE1      PHE  31  10.490  -6.893   1.180
  238    HE2  PHE  31           HE2      PHE  31  14.675  -6.499   0.604
  239    HZ   PHE  31           HZ       PHE  31  12.584  -7.711   0.206
  240    H    LEU  32           H        LEU  32  14.062  -0.791   3.724
  241    HA   LEU  32           HA       LEU  32  16.288  -1.051   2.143
  242   1HB   LEU  32          1HB       LEU  32  14.907   1.085   3.598
  243   2HB   LEU  32          2HB       LEU  32  16.614   1.394   3.355
  244    HG   LEU  32           HG       LEU  32  14.929   0.521   1.027
  245   1HD1  LEU  32          1HD1      LEU  32  14.100   2.647   2.531
  246   2HD1  LEU  32          2HD1      LEU  32  15.176   3.435   1.352
  247   3HD1  LEU  32          3HD1      LEU  32  13.808   2.446   0.786
  248   1HD2  LEU  32          1HD2      LEU  32  17.383   2.276   1.307
  249   2HD2  LEU  32          2HD2      LEU  32  17.318   0.610   0.684
  250   3HD2  LEU  32          3HD2      LEU  32  16.537   1.929  -0.221
  251    H    PHE  33           H        PHE  33  15.974  -1.133   5.679
  252    HA   PHE  33           HA       PHE  33  18.453  -0.526   6.535
  253   1HB   PHE  33          1HB       PHE  33  16.441  -1.330   7.866
  254   2HB   PHE  33          2HB       PHE  33  16.697  -2.951   7.253
  255    HD1  PHE  33           HD1      PHE  33  18.321  -0.290   9.275
  256    HD2  PHE  33           HD2      PHE  33  18.104  -4.434   8.387
  257    HE1  PHE  33           HE1      PHE  33  19.836  -0.785  11.214
  258    HE2  PHE  33           HE2      PHE  33  19.619  -4.929  10.326
  259    HZ   PHE  33           HZ       PHE  33  20.467  -3.098  11.717
  260    H    SER  34           H        SER  34  17.466  -3.382   4.650
  261    HA   SER  34           HA       SER  34  20.249  -3.979   4.290
  262   1HB   SER  34          1HB       SER  34  18.789  -5.429   6.208
  263   2HB   SER  34          2HB       SER  34  18.764  -6.467   4.797
  264    HG   SER  34           HG       SER  34  20.949  -6.704   4.854
  265    H    ILE  35           H        ILE  35  20.059  -3.517   2.073
  266    HA   ILE  35           HA       ILE  35  17.986  -5.004   0.629
  267    HB   ILE  35           HB       ILE  35  18.412  -3.371  -1.182
  268   1HG1  ILE  35          1HG1      ILE  35  20.107  -1.924   0.875
  269   2HG1  ILE  35          2HG1      ILE  35  20.737  -2.788  -0.513
  270   1HG2  ILE  35          1HG2      ILE  35  17.062  -2.977   1.315
  271   2HG2  ILE  35          2HG2      ILE  35  17.684  -1.415   0.732
  272   3HG2  ILE  35          3HG2      ILE  35  16.624  -2.394  -0.309
  273   1HD1  ILE  35          1HD1      ILE  35  19.393  -1.307  -2.030
  274   2HD1  ILE  35          2HD1      ILE  35  18.832  -0.403  -0.603
  275   3HD1  ILE  35          3HD1      ILE  35  20.558  -0.395  -1.040
  276    H    GLY  36           H        GLY  36  21.464  -4.499   1.091
  277   1HA   GLY  36          1HA       GLY  36  21.980  -6.893  -0.483
  278   2HA   GLY  36          2HA       GLY  36  23.087  -6.052   0.584
  279    H    ARG  37           H        ARG  37  23.986  -3.915  -0.150
  280    HA   ARG  37           HA       ARG  37  23.896  -3.690  -3.044
  281   1HB   ARG  37          1HB       ARG  37  23.713  -1.754  -0.957
  282   2HB   ARG  37          2HB       ARG  37  25.283  -1.494  -1.690
  283   1HG   ARG  37          1HG       ARG  37  22.848  -1.849  -3.462
  284   2HG   ARG  37          2HG       ARG  37  23.138  -0.301  -2.694
  285   1HD   ARG  37          1HD       ARG  37  24.893   0.196  -4.082
  286   2HD   ARG  37          2HD       ARG  37  25.576  -1.412  -3.950
  287    HE   ARG  37           HE       ARG  37  23.639  -0.485  -5.973
  288   1HH1  ARG  37          1HH1      ARG  37  23.222  -1.891  -7.726
  289   2HH1  ARG  37          2HH1      ARG  37  23.757  -3.537  -7.662
  290   1HH2  ARG  37          1HH2      ARG  37  25.215  -3.248  -4.468
  291   2HH2  ARG  37          2HH2      ARG  37  24.898  -4.314  -5.796
  292    H    CYS  38           H        CYS  38  25.927  -4.330  -0.223
  293    HA   CYS  38           HA       CYS  38  27.951  -5.478  -1.685
  294   1HB   CYS  38          1HB       CYS  38  28.162  -2.685  -1.894
  295   2HB   CYS  38          2HB       CYS  38  29.353  -3.130  -0.688
  296    HG   CYS  38           HG       CYS  38  30.939  -4.250  -2.074
  297    HA   PRO  39           HA       PRO  39  28.719  -6.586   2.459
  298   1HB   PRO  39          1HB       PRO  39  31.135  -7.845   2.245
  299   2HB   PRO  39          2HB       PRO  39  29.614  -8.613   1.836
  300   1HG   PRO  39          1HG       PRO  39  31.705  -7.563   0.030
  301   2HG   PRO  39          2HG       PRO  39  30.412  -8.690  -0.327
  302   1HD   PRO  39          1HD       PRO  39  30.508  -5.910  -1.027
  303   2HD   PRO  39          2HD       PRO  39  29.166  -7.009  -1.281
  304    H    ILE  40           H        ILE  40  31.889  -5.644   1.202
  305    HA   ILE  40           HA       ILE  40  33.490  -4.475   2.234
  306    HB   ILE  40           HB       ILE  40  31.267  -2.475   2.619
  307   1HG1  ILE  40          1HG1      ILE  40  32.757  -3.154   0.066
  308   2HG1  ILE  40          2HG1      ILE  40  31.070  -3.499   0.391
  309   1HG2  ILE  40          1HG2      ILE  40  34.240  -2.208   2.104
  310   2HG2  ILE  40          2HG2      ILE  40  33.079  -0.859   2.049
  311   3HG2  ILE  40          3HG2      ILE  40  33.344  -1.743   3.571
  312   1HD1  ILE  40          1HD1      ILE  40  31.373  -0.747   0.997
  313   2HD1  ILE  40          2HD1      ILE  40  32.292  -1.009  -0.505
  314   3HD1  ILE  40          3HD1      ILE  40  30.568  -1.449  -0.428
  315    H    LEU  41           H        LEU  41  32.600  -6.417   3.983
  316    HA   LEU  41           HA       LEU  41  32.979  -6.892   6.132
  317   1HB   LEU  41          1HB       LEU  41  32.923  -3.997   6.920
  318   2HB   LEU  41          2HB       LEU  41  33.722  -5.342   7.709
  319    HG   LEU  41           HG       LEU  41  34.792  -5.052   5.053
  320   1HD1  LEU  41          1HD1      LEU  41  34.194  -2.528   6.440
  321   2HD1  LEU  41          2HD1      LEU  41  35.893  -2.713   5.941
  322   3HD1  LEU  41          3HD1      LEU  41  34.591  -2.844   4.734
  323   1HD2  LEU  41          1HD2      LEU  41  35.674  -5.862   7.490
  324   2HD2  LEU  41          2HD2      LEU  41  36.730  -5.478   6.109
  325   3HD2  LEU  41          3HD2      LEU  41  36.438  -4.259   7.373
  326    H    ALA  42           H        ALA  42  30.777  -4.035   5.715
  327    HA   ALA  42           HA       ALA  42  28.621  -3.798   6.175
  328   1HB   ALA  42          1HB       ALA  42  27.545  -5.626   5.432
  329   2HB   ALA  42          2HB       ALA  42  28.929  -6.668   5.843
  330   3HB   ALA  42          3HB       ALA  42  27.690  -6.310   7.069
  331    H    THR  43           H        THR  43  29.859  -6.318   8.495
  332    HA   THR  43           HA       THR  43  30.127  -4.573  10.643
  333    HB   THR  43           HB       THR  43  27.702  -4.240  10.535
  334    HG1  THR  43           HG1      THR  43  28.531  -4.569  12.674
  335   1HG2  THR  43          1HG2      THR  43  27.666  -6.994   9.690
  336   2HG2  THR  43          2HG2      THR  43  26.799  -6.901  11.242
  337   3HG2  THR  43          3HG2      THR  43  26.277  -5.895   9.870
  338    H    GLN  44           H        GLN  44  31.814  -6.424   9.691
  339    HA   GLN  44           HA       GLN  44  31.996  -8.150  11.930
  340   1HB   GLN  44          1HB       GLN  44  30.655  -9.178   9.646
  341   2HB   GLN  44          2HB       GLN  44  32.256  -9.888   9.602
  342   1HG   GLN  44          1HG       GLN  44  31.700 -10.185  12.267
  343   2HG   GLN  44          2HG       GLN  44  30.072 -10.248  11.621
  344   1HE2  GLN  44          2HE2      GLN  44  32.901 -11.938  12.229
  345   2HE2  GLN  44          1HE2      GLN  44  32.596 -13.387  11.331
  346    H    GLY  45           H        GLY  45  33.555  -5.983  10.954
  347   1HA   GLY  45          1HA       GLY  45  35.602  -5.413  10.150
  348   2HA   GLY  45          2HA       GLY  45  35.759  -6.989   9.400
  349    HA   PRO  46           HA       PRO  46  38.129  -6.739  13.415
  350   1HB   PRO  46          1HB       PRO  46  37.234  -5.293  15.553
  351   2HB   PRO  46          2HB       PRO  46  38.271  -4.623  14.310
  352   1HG   PRO  46          1HG       PRO  46  35.376  -4.199  14.736
  353   2HG   PRO  46          2HG       PRO  46  36.499  -3.239  13.795
  354   1HD   PRO  46          1HD       PRO  46  34.563  -5.097  12.783
  355   2HD   PRO  46          2HD       PRO  46  35.763  -4.224  11.852
  356    H    THR  47           H        THR  47  36.636  -8.806  12.883
  357    HA   THR  47           HA       THR  47  35.385 -10.480  13.741
  358    HB   THR  47           HB       THR  47  36.704 -11.661  15.360
  359    HG1  THR  47           HG1      THR  47  37.718  -9.012  16.098
  360   1HG2  THR  47          1HG2      THR  47  38.117 -10.972  13.361
  361   2HG2  THR  47          2HG2      THR  47  38.620  -9.532  14.277
  362   3HG2  THR  47          3HG2      THR  47  39.060 -11.155  14.859
  363    H    CYS  48           H        CYS  48  33.601  -8.702  13.940
  364    HA   CYS  48           HA       CYS  48  32.957  -8.255  16.736
  365   1HB   CYS  48          1HB       CYS  48  32.303  -6.923  14.194
  366   2HB   CYS  48          2HB       CYS  48  30.925  -7.102  15.261
  367    HG   CYS  48           HG       CYS  48  31.478  -5.433  16.850
  368    H    SER  49           H        SER  49  31.437  -9.519  17.782
  369    HA   SER  49           HA       SER  49  29.992 -11.097  18.145
  370   1HB   SER  49          1HB       SER  49  28.584  -9.437  16.738
  371   2HB   SER  49          2HB       SER  49  28.771 -10.566  15.410
  372    HG   SER  49           HG       SER  49  28.009 -11.994  17.590

  No H/Q in entry =         372
  Start of MODEL    3
    1    H    MET   1           H        MET   1 -41.921   0.139   0.491
    2    HA   MET   1           HA       MET   1 -42.312  -1.972  -0.409
    3   1HB   MET   1          1HB       MET   1 -44.238  -0.434  -1.933
    4   2HB   MET   1          2HB       MET   1 -43.204  -1.256  -3.085
    5   1HG   MET   1          1HG       MET   1 -44.370  -2.776  -0.725
    6   2HG   MET   1          2HG       MET   1 -45.334  -2.505  -2.163
    7   1HE   MET   1          1HE       MET   1 -45.479  -5.169  -2.215
    8   2HE   MET   1          2HE       MET   1 -45.498  -4.357  -3.799
    9   3HE   MET   1          3HE       MET   1 -44.541  -5.841  -3.571
   10    H    VAL   2           H        VAL   2 -40.870   0.962  -1.379
   11    HA   VAL   2           HA       VAL   2 -39.256  -0.228  -3.470
   12    HB   VAL   2           HB       VAL   2 -38.394   1.974  -3.780
   13   1HG1  VAL   2          1HG1      VAL   2 -41.259   1.445  -3.691
   14   2HG1  VAL   2          2HG1      VAL   2 -40.898   3.179  -3.508
   15   3HG1  VAL   2          3HG1      VAL   2 -40.291   2.287  -4.924
   16   1HG2  VAL   2          1HG2      VAL   2 -38.276   2.426  -1.244
   17   2HG2  VAL   2          2HG2      VAL   2 -38.643   3.796  -2.320
   18   3HG2  VAL   2          3HG2      VAL   2 -39.951   3.006  -1.406
   19    H    ALA   3           H        ALA   3 -36.851   1.349  -2.751
   20    HA   ALA   3           HA       ALA   3 -35.993   0.542  -0.176
   21   1HB   ALA   3          1HB       ALA   3 -34.466  -0.932  -2.279
   22   2HB   ALA   3          2HB       ALA   3 -36.061  -1.586  -1.836
   23   3HB   ALA   3          3HB       ALA   3 -34.808  -1.377  -0.590
   24    H    ALA   4           H        ALA   4 -34.544   2.085   0.392
   25    HA   ALA   4           HA       ALA   4 -32.875   3.192  -1.755
   26   1HB   ALA   4          1HB       ALA   4 -34.941   4.503  -0.209
   27   2HB   ALA   4          2HB       ALA   4 -33.357   5.224   0.165
   28   3HB   ALA   4          3HB       ALA   4 -33.931   5.160  -1.519
   29    H    ALA   5           H        ALA   5 -31.404   1.461  -0.859
   30    HA   ALA   5           HA       ALA   5 -29.745   2.662   1.165
   31   1HB   ALA   5          1HB       ALA   5 -31.708   0.837   1.983
   32   2HB   ALA   5          2HB       ALA   5 -30.220  -0.134   1.871
   33   3HB   ALA   5          3HB       ALA   5 -30.260   1.319   2.898
   34    H    MET   6           H        MET   6 -30.252  -0.670  -0.199
   35    HA   MET   6           HA       MET   6 -28.856  -2.021  -1.197
   36   1HB   MET   6          1HB       MET   6 -29.346   0.140  -2.843
   37   2HB   MET   6          2HB       MET   6 -27.595   0.191  -2.801
   38   1HG   MET   6          1HG       MET   6 -27.740  -2.396  -3.314
   39   2HG   MET   6          2HG       MET   6 -29.388  -2.049  -3.800
   40   1HE   MET   6          1HE       MET   6 -29.801   0.265  -4.947
   41   2HE   MET   6          2HE       MET   6 -28.955   0.707  -6.449
   42   3HE   MET   6          3HE       MET   6 -29.899  -0.799  -6.371
   43    H    LEU   7           H        LEU   7 -27.727  -1.702   1.147
   44    HA   LEU   7           HA       LEU   7 -25.723  -2.143   2.063
   45   1HB   LEU   7          1HB       LEU   7 -24.250  -0.923  -0.249
   46   2HB   LEU   7          2HB       LEU   7 -23.697  -2.119   0.907
   47    HG   LEU   7           HG       LEU   7 -25.982  -3.094  -0.618
   48   1HD1  LEU   7          1HD1      LEU   7 -23.919  -1.636  -2.091
   49   2HD1  LEU   7          2HD1      LEU   7 -24.100  -3.324  -2.624
   50   3HD1  LEU   7          3HD1      LEU   7 -25.509  -2.236  -2.622
   51   1HD2  LEU   7          1HD2      LEU   7 -24.375  -4.424   0.776
   52   2HD2  LEU   7          2HD2      LEU   7 -24.630  -5.043  -0.873
   53   3HD2  LEU   7          3HD2      LEU   7 -23.146  -4.142  -0.481
   54    H    LEU   8           H        LEU   8 -26.050   0.957   0.239
   55    HA   LEU   8           HA       LEU   8 -26.122   3.038   1.033
   56   1HB   LEU   8          1HB       LEU   8 -26.886   1.758   3.218
   57   2HB   LEU   8          2HB       LEU   8 -25.312   2.265   3.799
   58    HG   LEU   8           HG       LEU   8 -27.086   3.813   4.469
   59   1HD1  LEU   8          1HD1      LEU   8 -24.610   4.465   3.486
   60   2HD1  LEU   8          2HD1      LEU   8 -25.678   5.568   2.584
   61   3HD1  LEU   8          3HD1      LEU   8 -25.700   5.565   4.364
   62   1HD2  LEU   8          1HD2      LEU   8 -28.000   3.449   1.809
   63   2HD2  LEU   8          2HD2      LEU   8 -28.744   4.396   3.120
   64   3HD2  LEU   8          3HD2      LEU   8 -27.596   5.172   2.003
   65    H    ARG   9           H        ARG   9 -23.494   1.108   2.636
   66    HA   ARG   9           HA       ARG   9 -21.606   2.681   1.171
   67   1HB   ARG   9          1HB       ARG   9 -22.053   2.968   4.116
   68   2HB   ARG   9          2HB       ARG   9 -20.376   2.793   3.640
   69   1HG   ARG   9          1HG       ARG   9 -21.985   4.699   1.988
   70   2HG   ARG   9          2HG       ARG   9 -21.720   5.185   3.650
   71   1HD   ARG   9          1HD       ARG   9 -19.219   4.163   2.632
   72   2HD   ARG   9          2HD       ARG   9 -19.859   5.280   1.443
   73    HE   ARG   9           HE       ARG   9 -18.728   6.006   3.964
   74   1HH1  ARG   9          1HH1      ARG   9 -18.895   8.144   4.753
   75   2HH1  ARG   9          2HH1      ARG   9 -20.126   9.199   4.142
   76   1HH2  ARG   9          1HH2      ARG   9 -21.479   6.820   1.925
   77   2HH2  ARG   9          2HH2      ARG   9 -21.605   8.441   2.523
   78    H    SER  10           H        SER  10 -22.197   0.228   3.773
   79    HA   SER  10           HA       SER  10 -21.334  -1.720   4.180
   80   1HB   SER  10          1HB       SER  10 -21.770  -1.777   1.498
   81   2HB   SER  10          2HB       SER  10 -20.039  -2.047   1.496
   82    HG   SER  10           HG       SER  10 -21.139  -4.065   1.609
   83    H    CYS  11           H        CYS  11 -19.798   0.375   5.093
   84    HA   CYS  11           HA       CYS  11 -17.149   0.335   4.170
   85   1HB   CYS  11          1HB       CYS  11 -18.605   1.503   6.491
   86   2HB   CYS  11          2HB       CYS  11 -16.878   1.284   6.687
   87    HG   CYS  11           HG       CYS  11 -18.404   2.677   4.096
   88    HA   PRO  12           HA       PRO  12 -15.722  -3.229   6.231
   89   1HB   PRO  12          1HB       PRO  12 -13.046  -2.712   6.432
   90   2HB   PRO  12          2HB       PRO  12 -13.801  -3.293   4.962
   91   1HG   PRO  12          1HG       PRO  12 -12.837  -0.573   5.599
   92   2HG   PRO  12          2HG       PRO  12 -13.193  -1.272   4.032
   93   1HD   PRO  12          1HD       PRO  12 -14.826   0.575   5.498
   94   2HD   PRO  12          2HD       PRO  12 -15.233  -0.214   3.987
   95    H    VAL  13           H        VAL  13 -15.639  -0.210   7.679
   96    HA   VAL  13           HA       VAL  13 -15.604   0.437   9.790
   97    HB   VAL  13           HB       VAL  13 -16.109  -2.480  10.414
   98   1HG1  VAL  13          1HG1      VAL  13 -15.604  -0.349  12.153
   99   2HG1  VAL  13          2HG1      VAL  13 -17.376  -0.519  12.154
  100   3HG1  VAL  13          3HG1      VAL  13 -16.347  -1.913  12.564
  101   1HG2  VAL  13          1HG2      VAL  13 -17.669  -0.853   8.827
  102   2HG2  VAL  13          2HG2      VAL  13 -18.242  -2.268   9.742
  103   3HG2  VAL  13          3HG2      VAL  13 -18.397  -0.636  10.436
  104    H    LEU  14           H        LEU  14 -13.119  -0.214   8.439
  105    HA   LEU  14           HA       LEU  14 -11.437  -1.696  10.142
  106   1HB   LEU  14          1HB       LEU  14 -11.253  -0.149   7.692
  107   2HB   LEU  14          2HB       LEU  14  -9.860   0.113   8.722
  108    HG   LEU  14           HG       LEU  14 -10.581  -2.721   8.478
  109   1HD1  LEU  14          1HD1      LEU  14 -10.536  -1.089   6.064
  110   2HD1  LEU  14          2HD1      LEU  14  -9.301  -2.371   6.042
  111   3HD1  LEU  14          3HD1      LEU  14 -11.013  -2.788   6.295
  112   1HD2  LEU  14          1HD2      LEU  14  -8.074  -1.065   8.187
  113   2HD2  LEU  14          2HD2      LEU  14  -8.519  -2.199   9.484
  114   3HD2  LEU  14          3HD2      LEU  14  -8.111  -2.815   7.864
  115    H    SER  15           H        SER  15 -12.334   1.777   9.909
  116    HA   SER  15           HA       SER  15 -11.875   3.490  11.173
  117   1HB   SER  15          1HB       SER  15 -12.083   3.141  13.641
  118   2HB   SER  15          2HB       SER  15 -13.347   2.334  12.734
  119    HG   SER  15           HG       SER  15 -10.976   0.851  13.305
  120    H    GLN  16           H        GLN  16  -9.783   4.098  10.444
  121    HA   GLN  16           HA       GLN  16  -7.697   4.655  10.740
  122   1HB   GLN  16          1HB       GLN  16  -8.455   3.886  13.410
  123   2HB   GLN  16          2HB       GLN  16  -6.835   3.283  13.122
  124   1HG   GLN  16          1HG       GLN  16  -6.492   5.744  12.075
  125   2HG   GLN  16          2HG       GLN  16  -7.830   6.129  13.139
  126   1HE2  GLN  16          2HE2      GLN  16  -4.624   4.655  12.994
  127   2HE2  GLN  16          1HE2      GLN  16  -4.136   4.996  14.621
  128    H    GLY  17           H        GLY  17  -7.160   3.377   8.877
  129   1HA   GLY  17          1HA       GLY  17  -6.718   1.199   7.951
  130   2HA   GLY  17          2HA       GLY  17  -6.039   0.711   9.491
  131    HA   PRO  18           HA       PRO  18  -2.815   2.631   6.717
  132   1HB   PRO  18          1HB       PRO  18  -3.399   4.662   4.984
  133   2HB   PRO  18          2HB       PRO  18  -3.508   2.968   4.547
  134   1HG   PRO  18          1HG       PRO  18  -5.689   4.873   5.139
  135   2HG   PRO  18          2HG       PRO  18  -5.772   3.335   4.304
  136   1HD   PRO  18          1HD       PRO  18  -6.583   3.869   7.003
  137   2HD   PRO  18          2HD       PRO  18  -6.557   2.308   6.206
  138    H    THR  19           H        THR  19  -1.607   4.956   6.091
  139    HA   THR  19           HA       THR  19  -2.159   6.706   8.368
  140    HB   THR  19           HB       THR  19   0.392   6.668   8.790
  141    HG1  THR  19           HG1      THR  19  -0.079   4.253   7.186
  142   1HG2  THR  19          1HG2      THR  19  -1.622   4.849   9.696
  143   2HG2  THR  19          2HG2      THR  19  -0.203   3.856   9.284
  144   3HG2  THR  19          3HG2      THR  19  -0.051   5.180  10.465
  145    H    GLY  20           H        GLY  20  -0.091   6.138   5.446
  146   1HA   GLY  20          1HA       GLY  20  -0.688   8.916   4.663
  147   2HA   GLY  20          2HA       GLY  20  -0.246   7.602   3.591
  148    H    LEU  21           H        LEU  21   1.162   8.964   6.662
  149    HA   LEU  21           HA       LEU  21   3.786   8.787   5.413
  150   1HB   LEU  21          1HB       LEU  21   4.337  11.078   6.107
  151   2HB   LEU  21          2HB       LEU  21   3.140  10.996   4.831
  152    HG   LEU  21           HG       LEU  21   1.831  11.096   7.411
  153   1HD1  LEU  21          1HD1      LEU  21   4.179  12.837   7.075
  154   2HD1  LEU  21          2HD1      LEU  21   2.675  13.693   7.493
  155   3HD1  LEU  21          3HD1      LEU  21   3.275  12.384   8.540
  156   1HD2  LEU  21          1HD2      LEU  21   1.337  11.892   4.823
  157   2HD2  LEU  21          2HD2      LEU  21   0.361  12.313   6.251
  158   3HD2  LEU  21          3HD2      LEU  21   1.610  13.437   5.665
  159    H    LEU  22           H        LEU  22   3.642   6.888   6.949
  160    HA   LEU  22           HA       LEU  22   4.973   7.593   9.346
  161   1HB   LEU  22          1HB       LEU  22   2.487   8.062   9.805
  162   2HB   LEU  22          2HB       LEU  22   2.281   6.322   9.781
  163    HG   LEU  22           HG       LEU  22   4.451   6.763  11.511
  164   1HD1  LEU  22          1HD1      LEU  22   3.156   9.187  11.356
  165   2HD1  LEU  22          2HD1      LEU  22   2.391   8.423  12.770
  166   3HD1  LEU  22          3HD1      LEU  22   4.159   8.622  12.714
  167   1HD2  LEU  22          1HD2      LEU  22   1.578   5.956  11.810
  168   2HD2  LEU  22          2HD2      LEU  22   3.064   4.999  12.028
  169   3HD2  LEU  22          3HD2      LEU  22   2.587   6.195  13.257
  170    H    GLY  23           H        GLY  23   2.765   4.962   8.142
  171   1HA   GLY  23          1HA       GLY  23   3.180   2.808   7.649
  172   2HA   GLY  23          2HA       GLY  23   4.247   2.819   9.039
  173    H    LYS  24           H        LYS  24   4.818   4.988   6.273
  174    HA   LYS  24           HA       LYS  24   6.553   3.224   4.896
  175   1HB   LYS  24          1HB       LYS  24   5.443   5.871   4.553
  176   2HB   LYS  24          2HB       LYS  24   7.161   5.895   4.207
  177   1HG   LYS  24          1HG       LYS  24   6.500   5.147   2.140
  178   2HG   LYS  24          2HG       LYS  24   6.486   3.580   2.924
  179   1HD   LYS  24          1HD       LYS  24   4.037   5.394   2.895
  180   2HD   LYS  24          2HD       LYS  24   4.360   4.249   1.608
  181   1HE   LYS  24          1HE       LYS  24   3.289   2.693   2.874
  182   2HE   LYS  24          2HE       LYS  24   4.696   2.698   3.919
  183    H    VAL  25           H        VAL  25   6.967   5.812   7.361
  184    HA   VAL  25           HA       VAL  25   9.813   5.652   7.261
  185    HB   VAL  25           HB       VAL  25   7.968   6.844   9.341
  186   1HG1  VAL  25          1HG1      VAL  25  10.817   6.552   9.246
  187   2HG1  VAL  25          2HG1      VAL  25  10.415   8.277   9.067
  188   3HG1  VAL  25          3HG1      VAL  25   9.816   7.364  10.473
  189   1HG2  VAL  25          1HG2      VAL  25   7.740   7.619   6.876
  190   2HG2  VAL  25          2HG2      VAL  25   7.937   8.852   8.145
  191   3HG2  VAL  25          3HG2      VAL  25   9.325   8.387   7.132
  192    H    ALA  26           H        ALA  26   7.382   3.583   8.420
  193    HA   ALA  26           HA       ALA  26   9.326   2.340  10.236
  194   1HB   ALA  26          1HB       ALA  26   7.313   1.658  11.620
  195   2HB   ALA  26          2HB       ALA  26   7.691   3.397  11.652
  196   3HB   ALA  26          3HB       ALA  26   6.348   2.797  10.650
  197    H    LYS  27           H        LYS  27   9.251   1.725   7.531
  198    HA   LYS  27           HA       LYS  27   8.656  -1.020   7.628
  199   1HB   LYS  27          1HB       LYS  27   6.329   0.031   7.384
  200   2HB   LYS  27          2HB       LYS  27   6.819   0.499   5.768
  201   1HG   LYS  27          1HG       LYS  27   7.280  -2.365   6.594
  202   2HG   LYS  27          2HG       LYS  27   5.631  -1.869   6.266
  203   1HD   LYS  27          1HD       LYS  27   6.483  -0.909   4.034
  204   2HD   LYS  27          2HD       LYS  27   8.011  -1.700   4.365
  205   1HE   LYS  27          1HE       LYS  27   6.942  -3.360   3.115
  206   2HE   LYS  27          2HE       LYS  27   6.501  -3.857   4.736
  207    H    THR  28           H        THR  28   9.150   1.946   5.647
  208    HA   THR  28           HA       THR  28  10.332   0.607   3.464
  209    HB   THR  28           HB       THR  28  10.557   3.485   4.495
  210    HG1  THR  28           HG1      THR  28   8.916   2.057   2.520
  211   1HG2  THR  28          1HG2      THR  28  11.197   2.159   1.818
  212   2HG2  THR  28          2HG2      THR  28  10.802   3.891   1.944
  213   3HG2  THR  28          3HG2      THR  28  12.237   3.242   2.773
  214    H    TYR  29           H        TYR  29  11.715   2.149   6.421
  215    HA   TYR  29           HA       TYR  29  14.387   1.742   5.682
  216   1HB   TYR  29          1HB       TYR  29  13.165   3.156   7.565
  217   2HB   TYR  29          2HB       TYR  29  13.139   1.668   8.490
  218    HD1  TYR  29           HD1      TYR  29  15.113   0.844   9.588
  219    HD2  TYR  29           HD2      TYR  29  15.350   4.235   6.991
  220    HE1  TYR  29           HE1      TYR  29  17.454   1.344  10.444
  221    HE2  TYR  29           HE2      TYR  29  17.690   4.725   7.856
  222    HH   TYR  29           HH       TYR  29  18.960   3.125  10.621
  223    H    GLN  30           H        GLN  30  11.998  -0.301   7.440
  224    HA   GLN  30           HA       GLN  30  13.806  -2.179   8.343
  225   1HB   GLN  30          1HB       GLN  30  11.292  -1.837   8.913
  226   2HB   GLN  30          2HB       GLN  30  10.958  -2.827   7.506
  227   1HG   GLN  30          1HG       GLN  30  11.009  -4.355   9.348
  228   2HG   GLN  30          2HG       GLN  30  12.529  -4.597   8.511
  229   1HE2  GLN  30          2HE2      GLN  30  14.450  -3.877   9.391
  230   2HE2  GLN  30          1HE2      GLN  30  14.626  -3.423  11.053
  231    H    PHE  31           H        PHE  31  12.847  -1.397   5.135
  232    HA   PHE  31           HA       PHE  31  13.615  -4.065   4.195
  233   1HB   PHE  31          1HB       PHE  31  11.455  -2.325   3.625
  234   2HB   PHE  31          2HB       PHE  31  12.552  -2.024   2.292
  235    HD1  PHE  31           HD1      PHE  31  12.807  -3.599   0.537
  236    HD2  PHE  31           HD2      PHE  31  10.612  -4.657   4.012
  237    HE1  PHE  31           HE1      PHE  31  11.965  -5.660  -0.622
  238    HE2  PHE  31           HE2      PHE  31   9.770  -6.717   2.852
  239    HZ   PHE  31           HZ       PHE  31  10.457  -7.194   0.549
  240    H    LEU  32           H        LEU  32  14.113  -0.515   3.717
  241    HA   LEU  32           HA       LEU  32  15.963  -0.671   1.677
  242   1HB   LEU  32          1HB       LEU  32  14.960   1.282   3.538
  243   2HB   LEU  32          2HB       LEU  32  16.692   1.473   3.357
  244    HG   LEU  32           HG       LEU  32  15.493   1.121   0.757
  245   1HD1  LEU  32          1HD1      LEU  32  13.443   1.955   1.828
  246   2HD1  LEU  32          2HD1      LEU  32  14.327   3.395   2.386
  247   3HD1  LEU  32          3HD1      LEU  32  14.099   3.110   0.644
  248   1HD2  LEU  32          1HD2      LEU  32  17.660   2.362   1.762
  249   2HD2  LEU  32          2HD2      LEU  32  16.953   2.742   0.173
  250   3HD2  LEU  32          3HD2      LEU  32  16.569   3.757   1.584
  251    H    PHE  33           H        PHE  33  16.210  -1.600   5.045
  252    HA   PHE  33           HA       PHE  33  19.088  -1.475   5.045
  253   1HB   PHE  33          1HB       PHE  33  17.017  -1.409   6.923
  254   2HB   PHE  33          2HB       PHE  33  17.533  -3.078   7.060
  255    HD1  PHE  33           HD1      PHE  33  18.105   0.211   8.170
  256    HD2  PHE  33           HD2      PHE  33  20.118  -3.435   7.358
  257    HE1  PHE  33           HE1      PHE  33  19.989   0.917   9.670
  258    HE2  PHE  33           HE2      PHE  33  22.002  -2.729   8.858
  259    HZ   PHE  33           HZ       PHE  33  21.916  -0.562   9.996
  260    H    SER  34           H        SER  34  16.482  -3.984   4.945
  261    HA   SER  34           HA       SER  34  18.466  -6.039   4.752
  262   1HB   SER  34          1HB       SER  34  15.463  -5.927   4.952
  263   2HB   SER  34          2HB       SER  34  16.184  -7.382   4.294
  264    HG   SER  34           HG       SER  34  17.309  -6.344   6.697
  265    H    ILE  35           H        ILE  35  19.274  -4.734   2.700
  266    HA   ILE  35           HA       ILE  35  17.743  -5.643   0.366
  267    HB   ILE  35           HB       ILE  35  19.047  -3.868  -0.835
  268   1HG1  ILE  35          1HG1      ILE  35  19.698  -2.881   1.956
  269   2HG1  ILE  35          2HG1      ILE  35  20.846  -3.686   0.905
  270   1HG2  ILE  35          1HG2      ILE  35  16.794  -3.606   0.979
  271   2HG2  ILE  35          2HG2      ILE  35  17.661  -2.064   0.776
  272   3HG2  ILE  35          3HG2      ILE  35  17.040  -2.930  -0.650
  273   1HD1  ILE  35          1HD1      ILE  35  19.302  -1.229  -0.011
  274   2HD1  ILE  35          2HD1      ILE  35  20.849  -1.106   0.861
  275   3HD1  ILE  35          3HD1      ILE  35  20.780  -1.924  -0.718
  276    H    GLY  36           H        GLY  36  20.833  -5.702   2.113
  277   1HA   GLY  36          1HA       GLY  36  22.175  -7.100  -0.062
  278   2HA   GLY  36          2HA       GLY  36  21.779  -8.062   1.349
  279    H    ARG  37           H        ARG  37  24.026  -5.861  -0.050
  280    HA   ARG  37           HA       ARG  37  25.022  -4.440   1.974
  281   1HB   ARG  37          1HB       ARG  37  25.384  -7.227   2.583
  282   2HB   ARG  37          2HB       ARG  37  26.969  -6.592   2.189
  283   1HG   ARG  37          1HG       ARG  37  25.422  -4.756   3.911
  284   2HG   ARG  37          2HG       ARG  37  25.651  -6.328   4.651
  285   1HD   ARG  37          1HD       ARG  37  28.161  -6.086   3.965
  286   2HD   ARG  37          2HD       ARG  37  27.794  -4.398   3.672
  287    HE   ARG  37           HE       ARG  37  27.500  -4.052   5.999
  288   1HH1  ARG  37          1HH1      ARG  37  27.819  -4.637   8.185
  289   2HH1  ARG  37          2HH1      ARG  37  28.103  -6.294   8.605
  290   1HH2  ARG  37          1HH2      ARG  37  27.918  -7.473   5.291
  291   2HH2  ARG  37          2HH2      ARG  37  28.160  -7.918   6.948
  292    H    CYS  38           H        CYS  38  25.608  -6.659  -0.737
  293    HA   CYS  38           HA       CYS  38  27.412  -4.707  -1.867
  294   1HB   CYS  38          1HB       CYS  38  28.697  -6.594  -0.528
  295   2HB   CYS  38          2HB       CYS  38  28.358  -7.556  -1.953
  296    HG   CYS  38           HG       CYS  38  29.096  -5.285  -3.509
  297    HA   PRO  39           HA       PRO  39  24.475  -6.445  -4.799
  298   1HB   PRO  39          1HB       PRO  39  23.851  -4.103  -6.061
  299   2HB   PRO  39          2HB       PRO  39  22.951  -4.722  -4.692
  300   1HG   PRO  39          1HG       PRO  39  24.892  -2.495  -4.778
  301   2HG   PRO  39          2HG       PRO  39  23.687  -2.854  -3.558
  302   1HD   PRO  39          1HD       PRO  39  26.509  -3.338  -3.378
  303   2HD   PRO  39          2HD       PRO  39  25.289  -3.801  -2.208
  304    H    ILE  40           H        ILE  40  26.315  -7.639  -5.595
  305    HA   ILE  40           HA       ILE  40  27.780  -6.189  -7.644
  306    HB   ILE  40           HB       ILE  40  29.222  -8.127  -7.692
  307   1HG1  ILE  40          1HG1      ILE  40  28.398  -9.687  -5.501
  308   2HG1  ILE  40          2HG1      ILE  40  26.950  -9.439  -6.456
  309   1HG2  ILE  40          1HG2      ILE  40  28.678  -6.552  -5.294
  310   2HG2  ILE  40          2HG2      ILE  40  29.490  -8.096  -4.940
  311   3HG2  ILE  40          3HG2      ILE  40  30.222  -6.948  -6.086
  312   1HD1  ILE  40          1HD1      ILE  40  28.259 -10.136  -8.517
  313   2HD1  ILE  40          2HD1      ILE  40  29.616 -10.547  -7.440
  314   3HD1  ILE  40          3HD1      ILE  40  28.072 -11.422  -7.300
  315    H    LEU  41           H        LEU  41  25.258  -8.657  -7.207
  316    HA   LEU  41           HA       LEU  41  25.327  -9.339 -10.017
  317   1HB   LEU  41          1HB       LEU  41  23.724 -10.989  -9.487
  318   2HB   LEU  41          2HB       LEU  41  24.960 -11.024  -8.245
  319    HG   LEU  41           HG       LEU  41  23.153  -9.364  -7.071
  320   1HD1  LEU  41          1HD1      LEU  41  21.536 -11.308  -8.743
  321   2HD1  LEU  41          2HD1      LEU  41  20.905 -10.334  -7.393
  322   3HD1  LEU  41          3HD1      LEU  41  21.525  -9.531  -8.856
  323   1HD2  LEU  41          1HD2      LEU  41  24.300 -11.653  -6.408
  324   2HD2  LEU  41          2HD2      LEU  41  22.878 -11.034  -5.535
  325   3HD2  LEU  41          3HD2      LEU  41  22.682 -12.300  -6.771
  326    H    ALA  42           H        ALA  42  23.383  -7.430  -7.683
  327    HA   ALA  42           HA       ALA  42  21.349  -6.850  -9.597
  328   1HB   ALA  42          1HB       ALA  42  20.287  -5.918  -7.808
  329   2HB   ALA  42          2HB       ALA  42  21.526  -6.792  -6.875
  330   3HB   ALA  42          3HB       ALA  42  21.748  -5.067  -7.251
  331    H    THR  43           H        THR  43  23.227  -6.323 -11.238
  332    HA   THR  43           HA       THR  43  23.149  -3.543 -11.671
  333    HB   THR  43           HB       THR  43  24.813  -3.525  -9.812
  334    HG1  THR  43           HG1      THR  43  24.988  -2.187 -11.848
  335   1HG2  THR  43          1HG2      THR  43  25.986  -5.737 -11.453
  336   2HG2  THR  43          2HG2      THR  43  27.149  -4.516 -10.881
  337   3HG2  THR  43          3HG2      THR  43  26.152  -5.413  -9.710
  338    H    GLN  44           H        GLN  44  22.198  -5.314 -13.323
  339    HA   GLN  44           HA       GLN  44  23.712  -4.957 -15.598
  340   1HB   GLN  44          1HB       GLN  44  24.689  -7.130 -14.091
  341   2HB   GLN  44          2HB       GLN  44  23.717  -7.879 -15.342
  342   1HG   GLN  44          1HG       GLN  44  25.539  -7.625 -16.687
  343   2HG   GLN  44          2HG       GLN  44  25.077  -5.937 -16.787
  344   1HE2  GLN  44          2HE2      GLN  44  27.117  -8.294 -15.197
  345   2HE2  GLN  44          1HE2      GLN  44  28.295  -7.202 -14.547
  346    H    GLY  45           H        GLY  45  21.610  -7.528 -14.102
  347   1HA   GLY  45          1HA       GLY  45  19.290  -6.709 -15.489
  348   2HA   GLY  45          2HA       GLY  45  19.528  -8.208 -14.614
  349    HA   PRO  46           HA       PRO  46  19.499 -10.089 -18.546
  350   1HB   PRO  46          1HB       PRO  46  17.005  -9.806 -19.627
  351   2HB   PRO  46          2HB       PRO  46  17.375 -10.959 -18.361
  352   1HG   PRO  46          1HG       PRO  46  15.930  -8.389 -18.161
  353   2HG   PRO  46          2HG       PRO  46  15.943  -9.731 -17.034
  354   1HD   PRO  46          1HD       PRO  46  17.358  -7.251 -16.764
  355   2HD   PRO  46          2HD       PRO  46  17.461  -8.638 -15.698
  356    H    THR  47           H        THR  47  20.418  -9.868 -20.509
  357    HA   THR  47           HA       THR  47  20.825  -7.226 -21.406
  358    HB   THR  47           HB       THR  47  22.444  -9.056 -21.769
  359    HG1  THR  47           HG1      THR  47  21.053  -8.302 -24.241
  360   1HG2  THR  47          1HG2      THR  47  20.070 -10.478 -22.707
  361   2HG2  THR  47          2HG2      THR  47  21.288 -10.406 -24.003
  362   3HG2  THR  47          3HG2      THR  47  21.707 -11.117 -22.426
  363    H    CYS  48           H        CYS  48  19.798  -5.933 -22.835
  364    HA   CYS  48           HA       CYS  48  17.208  -6.845 -23.689
  365   1HB   CYS  48          1HB       CYS  48  18.560  -4.239 -23.349
  366   2HB   CYS  48          2HB       CYS  48  17.482  -4.321 -24.728
  367    HG   CYS  48           HG       CYS  48  16.976  -4.487 -21.531
  368    H    SER  49           H        SER  49  16.798  -7.663 -25.724
  369    HA   SER  49           HA       SER  49  18.650  -6.926 -27.829
  370   1HB   SER  49          1HB       SER  49  19.191  -9.229 -26.734
  371   2HB   SER  49          2HB       SER  49  17.724  -9.801 -27.502
  372    HG   SER  49           HG       SER  49  19.410 -10.227 -28.939

  No H/Q in entry =         372
  Start of MODEL    4
    1    H    MET   1           H        MET   1 -22.167  31.010  -9.510
    2    HA   MET   1           HA       MET   1 -22.806  29.425 -10.853
    3   1HB   MET   1          1HB       MET   1 -21.110  31.174 -12.556
    4   2HB   MET   1          2HB       MET   1 -21.208  29.537 -13.175
    5   1HG   MET   1          1HG       MET   1 -23.719  31.031 -12.325
    6   2HG   MET   1          2HG       MET   1 -23.037  31.259 -13.923
    7   1HE   MET   1          1HE       MET   1 -25.635  30.050 -12.385
    8   2HE   MET   1          2HE       MET   1 -26.119  28.478 -13.066
    9   3HE   MET   1          3HE       MET   1 -25.064  28.541 -11.634
   10    H    VAL   2           H        VAL   2 -19.620  29.615  -9.696
   11    HA   VAL   2           HA       VAL   2 -18.968  26.933 -10.680
   12    HB   VAL   2           HB       VAL   2 -17.239  29.030  -9.351
   13   1HG1  VAL   2          1HG1      VAL   2 -16.614  26.561  -9.070
   14   2HG1  VAL   2          2HG1      VAL   2 -16.301  26.558 -10.822
   15   3HG1  VAL   2          3HG1      VAL   2 -15.374  27.639  -9.754
   16   1HG2  VAL   2          1HG2      VAL   2 -17.845  28.399 -12.221
   17   2HG2  VAL   2          2HG2      VAL   2 -17.609  29.972 -11.422
   18   3HG2  VAL   2          3HG2      VAL   2 -16.206  28.937 -11.781
   19    H    ALA   3           H        ALA   3 -20.776  26.200  -9.169
   20    HA   ALA   3           HA       ALA   3 -19.555  25.318  -6.741
   21   1HB   ALA   3          1HB       ALA   3 -21.124  27.735  -6.714
   22   2HB   ALA   3          2HB       ALA   3 -22.007  26.460  -5.839
   23   3HB   ALA   3          3HB       ALA   3 -20.350  26.891  -5.351
   24    H    ALA   4           H        ALA   4 -19.952  23.385  -8.131
   25    HA   ALA   4           HA       ALA   4 -22.781  22.591  -8.010
   26   1HB   ALA   4          1HB       ALA   4 -21.715  20.898  -9.831
   27   2HB   ALA   4          2HB       ALA   4 -20.640  22.296 -10.069
   28   3HB   ALA   4          3HB       ALA   4 -22.400  22.482 -10.266
   29    H    ALA   5           H        ALA   5 -22.001  22.183  -5.645
   30    HA   ALA   5           HA       ALA   5 -21.792  19.439  -5.287
   31   1HB   ALA   5          1HB       ALA   5 -19.581  19.146  -5.722
   32   2HB   ALA   5          2HB       ALA   5 -19.348  19.870  -4.114
   33   3HB   ALA   5          3HB       ALA   5 -19.220  20.882  -5.572
   34    H    MET   6           H        MET   6 -23.446  19.809  -3.795
   35    HA   MET   6           HA       MET   6 -22.977  21.764  -1.743
   36   1HB   MET   6          1HB       MET   6 -25.262  20.052  -2.724
   37   2HB   MET   6          2HB       MET   6 -25.322  20.529  -1.039
   38   1HG   MET   6          1HG       MET   6 -25.751  22.733  -1.541
   39   2HG   MET   6          2HG       MET   6 -24.611  22.758  -2.872
   40   1HE   MET   6          1HE       MET   6 -27.472  23.684  -2.030
   41   2HE   MET   6          2HE       MET   6 -27.892  24.114  -3.706
   42   3HE   MET   6          3HE       MET   6 -28.852  22.895  -2.832
   43    H    LEU   7           H        LEU   7 -21.063  19.641  -1.718
   44    HA   LEU   7           HA       LEU   7 -21.932  17.783   0.317
   45   1HB   LEU   7          1HB       LEU   7 -19.271  18.142  -1.068
   46   2HB   LEU   7          2HB       LEU   7 -19.672  16.849   0.045
   47    HG   LEU   7           HG       LEU   7 -21.549  17.097  -2.213
   48   1HD1  LEU   7          1HD1      LEU   7 -18.656  17.061  -2.712
   49   2HD1  LEU   7          2HD1      LEU   7 -19.545  15.735  -3.500
   50   3HD1  LEU   7          3HD1      LEU   7 -20.013  17.425  -3.805
   51   1HD2  LEU   7          1HD2      LEU   7 -20.369  15.041  -0.489
   52   2HD2  LEU   7          2HD2      LEU   7 -21.957  15.104  -1.290
   53   3HD2  LEU   7          3HD2      LEU   7 -20.527  14.544  -2.191
   54    H    LEU   8           H        LEU   8 -19.310  20.277  -0.050
   55    HA   LEU   8           HA       LEU   8 -18.384  21.635   1.425
   56   1HB   LEU   8          1HB       LEU   8 -20.658  20.981   3.299
   57   2HB   LEU   8          2HB       LEU   8 -19.589  22.368   3.372
   58    HG   LEU   8           HG       LEU   8 -21.132  22.034   0.852
   59   1HD1  LEU   8          1HD1      LEU   8 -22.438  22.024   3.447
   60   2HD1  LEU   8          2HD1      LEU   8 -22.906  23.440   2.475
   61   3HD1  LEU   8          3HD1      LEU   8 -23.120  21.799   1.819
   62   1HD2  LEU   8          1HD2      LEU   8 -19.507  23.957   1.728
   63   2HD2  LEU   8          2HD2      LEU   8 -20.898  24.287   0.668
   64   3HD2  LEU   8          3HD2      LEU   8 -21.030  24.563   2.421
   65    H    ARG   9           H        ARG   9 -16.814  19.721   1.268
   66    HA   ARG   9           HA       ARG   9 -16.111  19.082   3.945
   67   1HB   ARG   9          1HB       ARG   9 -15.922  16.587   3.459
   68   2HB   ARG   9          2HB       ARG   9 -17.569  17.175   3.578
   69   1HG   ARG   9          1HG       ARG   9 -17.517  17.453   1.010
   70   2HG   ARG   9          2HG       ARG   9 -16.009  16.561   1.031
   71   1HD   ARG   9          1HD       ARG   9 -18.431  15.407   2.443
   72   2HD   ARG   9          2HD       ARG   9 -18.312  15.274   0.700
   73    HE   ARG   9           HE       ARG   9 -16.508  13.769   0.936
   74   1HH1  ARG   9          1HH1      ARG   9 -15.194  12.332   2.132
   75   2HH1  ARG   9          2HH1      ARG   9 -15.091  12.484   3.854
   76   1HH2  ARG   9          1HH2      ARG   9 -17.282  15.235   4.040
   77   2HH2  ARG   9          2HH2      ARG   9 -16.286  14.146   4.946
   78    H    SER  10           H        SER  10 -15.609  18.519   0.408
   79    HA   SER  10           HA       SER  10 -13.824  18.365  -0.824
   80   1HB   SER  10          1HB       SER  10 -13.640  20.745   0.484
   81   2HB   SER  10          2HB       SER  10 -12.128  20.026   1.004
   82    HG   SER  10           HG       SER  10 -12.145  21.321  -1.079
   83    H    CYS  11           H        CYS  11 -14.086  16.172   0.877
   84    HA   CYS  11           HA       CYS  11 -13.023  14.540   1.911
   85   1HB   CYS  11          1HB       CYS  11 -11.777  14.986  -0.514
   86   2HB   CYS  11          2HB       CYS  11 -10.420  14.938   0.593
   87    HG   CYS  11           HG       CYS  11 -10.521  12.553  -0.151
   88    HA   PRO  12           HA       PRO  12 -10.906  17.104   4.928
   89   1HB   PRO  12          1HB       PRO  12 -12.103  16.045   7.144
   90   2HB   PRO  12          2HB       PRO  12 -12.734  17.437   6.287
   91   1HG   PRO  12          1HG       PRO  12 -13.721  14.650   6.279
   92   2HG   PRO  12          2HG       PRO  12 -14.556  16.112   5.791
   93   1HD   PRO  12          1HD       PRO  12 -13.405  14.135   4.061
   94   2HD   PRO  12          2HD       PRO  12 -14.136  15.652   3.578
   95    H    VAL  13           H        VAL  13  -8.951  16.093   4.182
   96    HA   VAL  13           HA       VAL  13  -8.361  13.611   5.571
   97    HB   VAL  13           HB       VAL  13  -7.891  13.869   3.170
   98   1HG1  VAL  13          1HG1      VAL  13  -6.165  16.141   4.148
   99   2HG1  VAL  13          2HG1      VAL  13  -5.780  15.281   2.638
  100   3HG1  VAL  13          3HG1      VAL  13  -7.344  16.112   2.814
  101   1HG2  VAL  13          1HG2      VAL  13  -6.569  12.330   4.630
  102   2HG2  VAL  13          2HG2      VAL  13  -5.680  12.901   3.198
  103   3HG2  VAL  13          3HG2      VAL  13  -5.341  13.607   4.796
  104    H    LEU  14           H        LEU  14  -7.614  17.089   5.595
  105    HA   LEU  14           HA       LEU  14  -6.592  18.345   7.100
  106   1HB   LEU  14          1HB       LEU  14  -7.345  15.996   8.602
  107   2HB   LEU  14          2HB       LEU  14  -5.837  16.651   9.209
  108    HG   LEU  14           HG       LEU  14  -7.741  17.548  10.429
  109   1HD1  LEU  14          1HD1      LEU  14  -5.780  19.162   9.033
  110   2HD1  LEU  14          2HD1      LEU  14  -7.256  20.093   9.383
  111   3HD1  LEU  14          3HD1      LEU  14  -6.381  19.283  10.704
  112   1HD2  LEU  14          1HD2      LEU  14  -8.758  18.144   7.693
  113   2HD2  LEU  14          2HD2      LEU  14  -9.620  17.592   9.149
  114   3HD2  LEU  14          3HD2      LEU  14  -9.140  19.299   8.993
  115    H    SER  15           H        SER  15  -5.118  17.635   4.969
  116    HA   SER  15           HA       SER  15  -3.131  17.132   4.188
  117   1HB   SER  15          1HB       SER  15  -1.243  18.313   5.402
  118   2HB   SER  15          2HB       SER  15  -2.635  19.320   5.056
  119    HG   SER  15           HG       SER  15  -2.041  18.039   7.587
  120    H    GLN  16           H        GLN  16  -3.537  14.754   4.637
  121    HA   GLN  16           HA       GLN  16  -2.774  12.805   5.218
  122   1HB   GLN  16          1HB       GLN  16  -0.451  14.537   5.720
  123   2HB   GLN  16          2HB       GLN  16  -0.446  13.127   6.760
  124   1HG   GLN  16          1HG       GLN  16   0.700  12.445   4.770
  125   2HG   GLN  16          2HG       GLN  16  -0.887  11.709   4.663
  126   1HE2  GLN  16          2HE2      GLN  16  -0.052  11.668   2.372
  127   2HE2  GLN  16          1HE2      GLN  16  -0.486  12.986   1.335
  128    H    GLY  17           H        GLY  17  -4.682  12.649   6.612
  129   1HA   GLY  17          1HA       GLY  17  -5.778  12.739   8.642
  130   2HA   GLY  17          2HA       GLY  17  -4.303  13.247   9.441
  131    HA   PRO  18           HA       PRO  18  -4.934   8.598   9.638
  132   1HB   PRO  18          1HB       PRO  18  -5.686   7.145   7.449
  133   2HB   PRO  18          2HB       PRO  18  -6.831   7.806   8.600
  134   1HG   PRO  18          1HG       PRO  18  -6.190   8.750   5.873
  135   2HG   PRO  18          2HG       PRO  18  -7.593   9.112   6.858
  136   1HD   PRO  18          1HD       PRO  18  -5.347  10.829   6.372
  137   2HD   PRO  18          2HD       PRO  18  -6.693  11.144   7.449
  138    H    THR  19           H        THR  19  -3.054   7.684  10.137
  139    HA   THR  19           HA       THR  19  -1.118   6.627   9.755
  140    HB   THR  19           HB       THR  19  -1.441   7.009   6.753
  141    HG1  THR  19           HG1      THR  19  -2.735   5.179   8.651
  142   1HG2  THR  19          1HG2      THR  19  -0.083   5.097   8.637
  143   2HG2  THR  19          2HG2      THR  19  -0.843   4.385   7.194
  144   3HG2  THR  19          3HG2      THR  19   0.418   5.628   7.013
  145    H    GLY  20           H        GLY  20  -1.587   9.339   7.394
  146   1HA   GLY  20          1HA       GLY  20  -0.010  11.195   8.587
  147   2HA   GLY  20          2HA       GLY  20  -0.209  11.043   6.852
  148    H    LEU  21           H        LEU  21   1.174   9.103   5.853
  149    HA   LEU  21           HA       LEU  21   3.132   8.063   5.593
  150   1HB   LEU  21          1HB       LEU  21   3.994  10.886   6.226
  151   2HB   LEU  21          2HB       LEU  21   5.065   9.665   5.569
  152    HG   LEU  21           HG       LEU  21   2.510  10.515   4.189
  153   1HD1  LEU  21          1HD1      LEU  21   4.479  12.281   4.643
  154   2HD1  LEU  21          2HD1      LEU  21   5.123  11.501   3.179
  155   3HD1  LEU  21          3HD1      LEU  21   3.512  12.257   3.149
  156   1HD2  LEU  21          1HD2      LEU  21   4.225   8.361   3.746
  157   2HD2  LEU  21          2HD2      LEU  21   2.998   9.008   2.630
  158   3HD2  LEU  21          3HD2      LEU  21   4.685   9.565   2.517
  159    H    LEU  22           H        LEU  22   2.652   6.695   7.536
  160    HA   LEU  22           HA       LEU  22   4.591   7.297   9.662
  161   1HB   LEU  22          1HB       LEU  22   2.366   7.506  10.516
  162   2HB   LEU  22          2HB       LEU  22   1.881   5.978   9.807
  163    HG   LEU  22           HG       LEU  22   3.981   5.209  11.411
  164   1HD1  LEU  22          1HD1      LEU  22   4.092   7.524  12.335
  165   2HD1  LEU  22          2HD1      LEU  22   2.448   7.298  12.977
  166   3HD1  LEU  22          3HD1      LEU  22   3.778   6.265  13.554
  167   1HD2  LEU  22          1HD2      LEU  22   1.705   4.187  11.111
  168   2HD2  LEU  22          2HD2      LEU  22   2.338   4.153  12.774
  169   3HD2  LEU  22          3HD2      LEU  22   1.098   5.345  12.319
  170    H    GLY  23           H        GLY  23   2.781   4.556   8.096
  171   1HA   GLY  23          1HA       GLY  23   3.448   2.488   7.527
  172   2HA   GLY  23          2HA       GLY  23   4.600   2.565   8.845
  173    H    LYS  24           H        LYS  24   4.548   4.892   6.118
  174    HA   LYS  24           HA       LYS  24   6.508   3.523   4.599
  175   1HB   LYS  24          1HB       LYS  24   5.230   6.243   4.521
  176   2HB   LYS  24          2HB       LYS  24   6.643   5.921   3.536
  177   1HG   LYS  24          1HG       LYS  24   5.476   3.903   2.572
  178   2HG   LYS  24          2HG       LYS  24   4.053   4.299   3.514
  179   1HD   LYS  24          1HD       LYS  24   3.690   6.352   2.308
  180   2HD   LYS  24          2HD       LYS  24   5.297   6.322   1.610
  181   1HE   LYS  24          1HE       LYS  24   3.937   3.854   0.913
  182   2HE   LYS  24          2HE       LYS  24   2.883   5.201   0.530
  183    H    VAL  25           H        VAL  25   6.603   5.316   7.534
  184    HA   VAL  25           HA       VAL  25   9.451   5.892   7.120
  185    HB   VAL  25           HB       VAL  25   7.301   7.111   8.829
  186   1HG1  VAL  25          1HG1      VAL  25  10.297   7.282   9.261
  187   2HG1  VAL  25          2HG1      VAL  25   9.143   8.476   9.903
  188   3HG1  VAL  25          3HG1      VAL  25   9.046   6.776  10.423
  189   1HG2  VAL  25          1HG2      VAL  25   8.502   7.799   6.387
  190   2HG2  VAL  25          2HG2      VAL  25   7.443   8.816   7.393
  191   3HG2  VAL  25          3HG2      VAL  25   9.210   8.908   7.584
  192    H    ALA  26           H        ALA  26   7.239   3.685   8.486
  193    HA   ALA  26           HA       ALA  26   9.343   2.737  10.301
  194   1HB   ALA  26          1HB       ALA  26   7.819   2.386  12.033
  195   2HB   ALA  26          2HB       ALA  26   6.415   2.388  10.938
  196   3HB   ALA  26          3HB       ALA  26   7.232   3.917  11.341
  197    H    LYS  27           H        LYS  27   9.286   1.913   7.676
  198    HA   LYS  27           HA       LYS  27   8.898  -0.852   7.970
  199   1HB   LYS  27          1HB       LYS  27   6.499  -0.081   7.726
  200   2HB   LYS  27          2HB       LYS  27   6.897   0.447   6.103
  201   1HG   LYS  27          1HG       LYS  27   6.679  -1.670   5.324
  202   2HG   LYS  27          2HG       LYS  27   7.921  -2.232   6.425
  203   1HD   LYS  27          1HD       LYS  27   6.383  -2.910   8.052
  204   2HD   LYS  27          2HD       LYS  27   5.190  -1.715   7.583
  205   1HE   LYS  27          1HE       LYS  27   5.661  -3.539   5.359
  206   2HE   LYS  27          2HE       LYS  27   5.300  -4.462   6.804
  207    H    THR  28           H        THR  28   9.139   1.998   5.784
  208    HA   THR  28           HA       THR  28  10.387   0.602   3.673
  209    HB   THR  28           HB       THR  28  10.260   3.535   4.535
  210    HG1  THR  28           HG1      THR  28   8.309   2.312   3.821
  211   1HG2  THR  28          1HG2      THR  28  12.240   2.987   2.962
  212   2HG2  THR  28          2HG2      THR  28  11.022   2.432   1.788
  213   3HG2  THR  28          3HG2      THR  28  11.038   4.131   2.319
  214    H    TYR  29           H        TYR  29  11.628   2.217   6.621
  215    HA   TYR  29           HA       TYR  29  14.332   2.126   5.858
  216   1HB   TYR  29          1HB       TYR  29  13.068   3.419   7.746
  217   2HB   TYR  29          2HB       TYR  29  13.016   1.909   8.634
  218    HD1  TYR  29           HD1      TYR  29  15.411   0.724   8.914
  219    HD2  TYR  29           HD2      TYR  29  14.796   4.899   8.210
  220    HE1  TYR  29           HE1      TYR  29  17.697   1.234   9.903
  221    HE2  TYR  29           HE2      TYR  29  17.084   5.395   9.202
  222    HH   TYR  29           HH       TYR  29  18.817   3.097  10.973
  223    H    GLN  30           H        GLN  30  12.103  -0.261   7.282
  224    HA   GLN  30           HA       GLN  30  14.320  -1.994   7.896
  225   1HB   GLN  30          1HB       GLN  30  11.688  -1.636   8.918
  226   2HB   GLN  30          2HB       GLN  30  11.700  -3.232   8.194
  227   1HG   GLN  30          1HG       GLN  30  12.584  -3.848  10.227
  228   2HG   GLN  30          2HG       GLN  30  14.092  -3.346   9.488
  229   1HE2  GLN  30          2HE2      GLN  30  13.574  -3.382  12.243
  230   2HE2  GLN  30          1HE2      GLN  30  13.642  -1.767  12.867
  231    H    PHE  31           H        PHE  31  13.523  -1.148   5.064
  232    HA   PHE  31           HA       PHE  31  13.099  -3.864   4.033
  233   1HB   PHE  31          1HB       PHE  31  11.345  -1.814   3.784
  234   2HB   PHE  31          2HB       PHE  31  12.456  -1.286   2.536
  235    HD1  PHE  31           HD1      PHE  31  12.819  -2.700   0.528
  236    HD2  PHE  31           HD2      PHE  31   9.879  -3.668   3.431
  237    HE1  PHE  31           HE1      PHE  31  11.705  -4.239  -1.113
  238    HE2  PHE  31           HE2      PHE  31   8.765  -5.207   1.790
  239    HZ   PHE  31           HZ       PHE  31   9.691  -5.473  -0.462
  240    H    LEU  32           H        LEU  32  14.692  -0.659   3.636
  241    HA   LEU  32           HA       LEU  32  16.356  -1.753   1.521
  242   1HB   LEU  32          1HB       LEU  32  15.886   0.991   2.653
  243   2HB   LEU  32          2HB       LEU  32  17.273   0.660   1.634
  244    HG   LEU  32           HG       LEU  32  15.415   1.635   0.373
  245   1HD1  LEU  32          1HD1      LEU  32  17.035   0.025  -0.672
  246   2HD1  LEU  32          2HD1      LEU  32  15.806  -1.246  -0.469
  247   3HD1  LEU  32          3HD1      LEU  32  15.466   0.164  -1.501
  248   1HD2  LEU  32          1HD2      LEU  32  13.703   0.364   1.931
  249   2HD2  LEU  32          2HD2      LEU  32  13.283   0.815   0.261
  250   3HD2  LEU  32          3HD2      LEU  32  13.778  -0.854   0.634
  251    H    PHE  33           H        PHE  33  16.344  -2.525   4.545
  252    HA   PHE  33           HA       PHE  33  19.185  -1.940   4.998
  253   1HB   PHE  33          1HB       PHE  33  17.298  -1.158   6.635
  254   2HB   PHE  33          2HB       PHE  33  17.007  -2.854   6.965
  255    HD1  PHE  33           HD1      PHE  33  19.333  -4.173   7.517
  256    HD2  PHE  33           HD2      PHE  33  18.580  -0.050   8.184
  257    HE1  PHE  33           HE1      PHE  33  21.113  -4.134   9.286
  258    HE2  PHE  33           HE2      PHE  33  20.360  -0.011   9.953
  259    HZ   PHE  33           HZ       PHE  33  21.605  -2.054  10.483
  260    H    SER  34           H        SER  34  16.591  -4.449   5.401
  261    HA   SER  34           HA       SER  34  18.576  -6.447   5.838
  262   1HB   SER  34          1HB       SER  34  16.551  -7.989   5.831
  263   2HB   SER  34          2HB       SER  34  16.517  -6.718   7.037
  264    HG   SER  34           HG       SER  34  15.289  -6.346   4.456
  265    H    ILE  35           H        ILE  35  19.532  -5.642   3.584
  266    HA   ILE  35           HA       ILE  35  18.919  -7.701   1.716
  267    HB   ILE  35           HB       ILE  35  18.482  -6.004  -0.149
  268   1HG1  ILE  35          1HG1      ILE  35  16.953  -4.173   1.361
  269   2HG1  ILE  35          2HG1      ILE  35  18.523  -4.233   2.137
  270   1HG2  ILE  35          1HG2      ILE  35  16.882  -7.691   1.066
  271   2HG2  ILE  35          2HG2      ILE  35  16.141  -6.206   1.709
  272   3HG2  ILE  35          3HG2      ILE  35  16.233  -6.465  -0.050
  273   1HD1  ILE  35          1HD1      ILE  35  19.400  -4.124  -0.401
  274   2HD1  ILE  35          2HD1      ILE  35  17.811  -3.363  -0.652
  275   3HD1  ILE  35          3HD1      ILE  35  18.968  -2.650   0.498
  276    H    GLY  36           H        GLY  36  21.064  -8.318   1.817
  277   1HA   GLY  36          1HA       GLY  36  22.975  -6.350   0.730
  278   2HA   GLY  36          2HA       GLY  36  23.084  -8.093   0.577
  279    H    ARG  37           H        ARG  37  23.165  -5.391   2.972
  280    HA   ARG  37           HA       ARG  37  23.808  -6.697   5.200
  281   1HB   ARG  37          1HB       ARG  37  25.932  -7.091   3.289
  282   2HB   ARG  37          2HB       ARG  37  26.553  -6.030   4.537
  283   1HG   ARG  37          1HG       ARG  37  26.552  -7.684   6.119
  284   2HG   ARG  37          2HG       ARG  37  24.972  -8.272   5.641
  285   1HD   ARG  37          1HD       ARG  37  25.912  -9.989   4.490
  286   2HD   ARG  37          2HD       ARG  37  26.835  -8.870   3.507
  287    HE   ARG  37           HE       ARG  37  28.706  -9.486   4.743
  288   1HH1  ARG  37          1HH1      ARG  37  29.891 -10.258   6.537
  289   2HH1  ARG  37          2HH1      ARG  37  29.069 -10.664   8.007
  290   1HH2  ARG  37          1HH2      ARG  37  25.868  -9.838   6.793
  291   2HH2  ARG  37          2HH2      ARG  37  26.766 -10.424   8.153
  292    H    CYS  38           H        CYS  38  24.521  -4.059   2.933
  293    HA   CYS  38           HA       CYS  38  24.647  -1.883   3.188
  294   1HB   CYS  38          1HB       CYS  38  22.893  -2.641   5.248
  295   2HB   CYS  38          2HB       CYS  38  24.027  -1.546   6.012
  296    HG   CYS  38           HG       CYS  38  23.357   0.505   4.997
  297    HA   PRO  39           HA       PRO  39  28.610  -1.343   4.917
  298   1HB   PRO  39          1HB       PRO  39  28.917   1.366   4.734
  299   2HB   PRO  39          2HB       PRO  39  29.148   0.282   3.377
  300   1HG   PRO  39          1HG       PRO  39  26.881   2.095   3.934
  301   2HG   PRO  39          2HG       PRO  39  27.336   1.340   2.420
  302   1HD   PRO  39          1HD       PRO  39  25.196   0.548   4.158
  303   2HD   PRO  39          2HD       PRO  39  25.724  -0.275   2.704
  304    H    ILE  40           H        ILE  40  29.697  -1.187   6.830
  305    HA   ILE  40           HA       ILE  40  28.956   0.667   8.775
  306    HB   ILE  40           HB       ILE  40  26.921  -0.934   8.664
  307   1HG1  ILE  40          1HG1      ILE  40  27.204   0.824  10.325
  308   2HG1  ILE  40          2HG1      ILE  40  26.526  -0.618  11.054
  309   1HG2  ILE  40          1HG2      ILE  40  28.942  -2.627  10.147
  310   2HG2  ILE  40          2HG2      ILE  40  27.181  -2.848  10.286
  311   3HG2  ILE  40          3HG2      ILE  40  27.982  -3.057   8.711
  312   1HD1  ILE  40          1HD1      ILE  40  29.065  -1.215  11.567
  313   2HD1  ILE  40          2HD1      ILE  40  29.300   0.537  11.353
  314   3HD1  ILE  40          3HD1      ILE  40  28.188  -0.066  12.606
  315    H    LEU  41           H        LEU  41  30.222  -2.602   7.984
  316    HA   LEU  41           HA       LEU  41  32.062  -2.556  10.173
  317   1HB   LEU  41          1HB       LEU  41  30.937  -4.496   8.617
  318   2HB   LEU  41          2HB       LEU  41  32.543  -4.393   7.924
  319    HG   LEU  41           HG       LEU  41  32.444  -6.123   9.624
  320   1HD1  LEU  41          1HD1      LEU  41  34.122  -3.706  10.309
  321   2HD1  LEU  41          2HD1      LEU  41  34.283  -5.266  11.152
  322   3HD1  LEU  41          3HD1      LEU  41  34.587  -5.165   9.402
  323   1HD2  LEU  41          1HD2      LEU  41  30.720  -4.443  10.969
  324   2HD2  LEU  41          2HD2      LEU  41  31.428  -5.947  11.603
  325   3HD2  LEU  41          3HD2      LEU  41  32.195  -4.382  11.962
  326    H    ALA  42           H        ALA  42  32.495  -2.525   6.559
  327    HA   ALA  42           HA       ALA  42  34.006  -1.537   5.281
  328   1HB   ALA  42          1HB       ALA  42  34.556   0.274   7.666
  329   2HB   ALA  42          2HB       ALA  42  33.226   0.509   6.506
  330   3HB   ALA  42          3HB       ALA  42  34.916   0.614   5.956
  331    H    THR  43           H        THR  43  35.271  -3.474   5.202
  332    HA   THR  43           HA       THR  43  37.234  -4.016   7.190
  333    HB   THR  43           HB       THR  43  36.162  -5.774   5.801
  334    HG1  THR  43           HG1      THR  43  38.507  -5.808   6.536
  335   1HG2  THR  43          1HG2      THR  43  37.700  -4.460   3.498
  336   2HG2  THR  43          2HG2      THR  43  36.818  -6.004   3.411
  337   3HG2  THR  43          3HG2      THR  43  35.927  -4.483   3.656
  338    H    GLN  44           H        GLN  44  37.317  -2.498   3.916
  339    HA   GLN  44           HA       GLN  44  40.029  -1.669   4.603
  340   1HB   GLN  44          1HB       GLN  44  38.793  -2.646   2.074
  341   2HB   GLN  44          2HB       GLN  44  39.867  -1.275   1.886
  342   1HG   GLN  44          1HG       GLN  44  40.950  -3.353   3.700
  343   2HG   GLN  44          2HG       GLN  44  40.659  -3.945   2.076
  344   1HE2  GLN  44          2HE2      GLN  44  41.560  -2.767   0.277
  345   2HE2  GLN  44          1HE2      GLN  44  43.057  -1.912   0.448
  346    H    GLY  45           H        GLY  45  37.149  -0.660   2.613
  347   1HA   GLY  45          1HA       GLY  45  36.814   1.811   3.881
  348   2HA   GLY  45          2HA       GLY  45  36.185   1.347   2.313
  349    HA   PRO  46           HA       PRO  46  39.778   3.194   0.411
  350   1HB   PRO  46          1HB       PRO  46  38.608   3.742  -1.997
  351   2HB   PRO  46          2HB       PRO  46  39.451   2.243  -1.660
  352   1HG   PRO  46          1HG       PRO  46  36.542   2.732  -1.845
  353   2HG   PRO  46          2HG       PRO  46  37.407   1.211  -1.935
  354   1HD   PRO  46          1HD       PRO  46  35.926   2.213   0.307
  355   2HD   PRO  46          2HD       PRO  46  36.886   0.748   0.256
  356    H    THR  47           H        THR  47  40.387   5.129   1.120
  357    HA   THR  47           HA       THR  47  38.331   7.084   1.550
  358    HB   THR  47           HB       THR  47  41.351   6.914   1.943
  359    HG1  THR  47           HG1      THR  47  40.347   7.243   4.188
  360   1HG2  THR  47          1HG2      THR  47  40.341   9.339   1.412
  361   2HG2  THR  47          2HG2      THR  47  39.661   9.172   3.048
  362   3HG2  THR  47          3HG2      THR  47  41.423   9.107   2.806
  363    H    CYS  48           H        CYS  48  37.412   8.160  -0.082
  364    HA   CYS  48           HA       CYS  48  37.205   9.439  -1.853
  365   1HB   CYS  48          1HB       CYS  48  40.095   9.976  -1.230
  366   2HB   CYS  48          2HB       CYS  48  39.420  10.580  -2.730
  367    HG   CYS  48           HG       CYS  48  38.203  10.964   0.330
  368    H    SER  49           H        SER  49  37.323   9.242  -4.204
  369    HA   SER  49           HA       SER  49  39.199   7.383  -5.280
  370   1HB   SER  49          1HB       SER  49  37.673   5.696  -4.625
  371   2HB   SER  49          2HB       SER  49  36.270   6.692  -4.959
  372    HG   SER  49           HG       SER  49  38.076   5.792  -7.032

  No H/Q in entry =         372
  Start of MODEL    5
    1    H    MET   1           H        MET   1  -9.906  55.900   6.552
    2    HA   MET   1           HA       MET   1 -12.542  55.110   7.528
    3   1HB   MET   1          1HB       MET   1 -11.492  55.631   4.707
    4   2HB   MET   1          2HB       MET   1 -12.898  54.615   4.953
    5   1HG   MET   1          1HG       MET   1 -12.664  57.467   6.027
    6   2HG   MET   1          2HG       MET   1 -13.439  57.061   4.508
    7   1HE   MET   1          1HE       MET   1 -15.299  55.815   4.116
    8   2HE   MET   1          2HE       MET   1 -15.364  54.358   5.136
    9   3HE   MET   1          3HE       MET   1 -16.668  55.566   5.226
   10    H    VAL   2           H        VAL   2 -13.203  52.877   6.400
   11    HA   VAL   2           HA       VAL   2 -10.822  51.163   6.334
   12    HB   VAL   2           HB       VAL   2 -11.934  49.523   7.669
   13   1HG1  VAL   2          1HG1      VAL   2 -10.786  51.606   8.722
   14   2HG1  VAL   2          2HG1      VAL   2 -12.438  52.075   9.193
   15   3HG1  VAL   2          3HG1      VAL   2 -11.753  50.534   9.763
   16   1HG2  VAL   2          1HG2      VAL   2 -14.311  51.412   7.683
   17   2HG2  VAL   2          2HG2      VAL   2 -14.225  49.796   6.940
   18   3HG2  VAL   2          3HG2      VAL   2 -14.157  49.966   8.710
   19    H    ALA   3           H        ALA   3 -12.515  48.768   5.968
   20    HA   ALA   3           HA       ALA   3 -14.140  49.280   3.667
   21   1HB   ALA   3          1HB       ALA   3 -11.580  47.687   3.277
   22   2HB   ALA   3          2HB       ALA   3 -11.754  49.395   2.804
   23   3HB   ALA   3          3HB       ALA   3 -12.774  48.151   2.042
   24    H    ALA   4           H        ALA   4 -13.334  46.381   2.812
   25    HA   ALA   4           HA       ALA   4 -14.269  44.880   5.106
   26   1HB   ALA   4          1HB       ALA   4 -15.962  45.642   2.804
   27   2HB   ALA   4          2HB       ALA   4 -16.424  45.058   4.421
   28   3HB   ALA   4          3HB       ALA   4 -15.948  43.897   3.158
   29    H    ALA   5           H        ALA   5 -12.082  44.034   4.939
   30    HA   ALA   5           HA       ALA   5 -11.969  41.838   3.082
   31   1HB   ALA   5          1HB       ALA   5 -10.257  44.296   2.825
   32   2HB   ALA   5          2HB       ALA   5  -9.527  42.707   2.495
   33   3HB   ALA   5          3HB       ALA   5 -10.940  43.249   1.558
   34    H    MET   6           H        MET   6  -9.866  43.865   5.256
   35    HA   MET   6           HA       MET   6  -8.463  43.281   6.829
   36   1HB   MET   6          1HB       MET   6 -11.016  41.759   7.407
   37   2HB   MET   6          2HB       MET   6  -9.634  41.413   8.428
   38   1HG   MET   6          1HG       MET   6 -10.136  43.268   9.638
   39   2HG   MET   6          2HG       MET   6  -9.694  44.242   8.250
   40   1HE   MET   6          1HE       MET   6 -10.904  45.169   6.708
   41   2HE   MET   6          2HE       MET   6 -12.670  45.242   6.493
   42   3HE   MET   6          3HE       MET   6 -11.886  46.222   7.755
   43    H    LEU   7           H        LEU   7  -7.325  42.178   4.775
   44    HA   LEU   7           HA       LEU   7  -5.970  40.582   4.079
   45   1HB   LEU   7          1HB       LEU   7  -6.296  39.848   6.951
   46   2HB   LEU   7          2HB       LEU   7  -5.516  38.697   5.885
   47    HG   LEU   7           HG       LEU   7  -4.423  41.374   5.529
   48   1HD1  LEU   7          1HD1      LEU   7  -4.829  40.401   8.295
   49   2HD1  LEU   7          2HD1      LEU   7  -3.188  40.966   7.899
   50   3HD1  LEU   7          3HD1      LEU   7  -4.582  42.050   7.673
   51   1HD2  LEU   7          1HD2      LEU   7  -3.585  38.852   5.072
   52   2HD2  LEU   7          2HD2      LEU   7  -2.491  40.247   5.235
   53   3HD2  LEU   7          3HD2      LEU   7  -2.773  39.170   6.624
   54    H    LEU   8           H        LEU   8  -7.426  39.954   2.418
   55    HA   LEU   8           HA       LEU   8  -8.380  37.262   2.761
   56   1HB   LEU   8          1HB       LEU   8 -10.159  39.298   3.323
   57   2HB   LEU   8          2HB       LEU   8 -10.506  38.930   1.646
   58    HG   LEU   8           HG       LEU   8 -11.950  37.678   3.167
   59   1HD1  LEU   8          1HD1      LEU   8 -10.374  36.577   1.060
   60   2HD1  LEU   8          2HD1      LEU   8 -10.624  35.317   2.292
   61   3HD1  LEU   8          3HD1      LEU   8 -12.024  36.146   1.569
   62   1HD2  LEU   8          1HD2      LEU   8 -10.370  37.549   5.068
   63   2HD2  LEU   8          2HD2      LEU   8 -11.117  35.983   4.673
   64   3HD2  LEU   8          3HD2      LEU   8  -9.440  36.318   4.181
   65    H    ARG   9           H        ARG   9  -6.246  37.820   1.311
   66    HA   ARG   9           HA       ARG   9  -7.050  37.143  -1.255
   67   1HB   ARG   9          1HB       ARG   9  -6.245  39.144  -2.508
   68   2HB   ARG   9          2HB       ARG   9  -7.606  39.547  -1.481
   69   1HG   ARG   9          1HG       ARG   9  -5.173  39.863   0.061
   70   2HG   ARG   9          2HG       ARG   9  -4.972  40.700  -1.466
   71   1HD   ARG   9          1HD       ARG   9  -7.575  41.410  -0.735
   72   2HD   ARG   9          2HD       ARG   9  -6.755  41.347   0.813
   73    HE   ARG   9           HE       ARG   9  -4.968  42.759  -0.736
   74   1HH1  ARG   9          1HH1      ARG   9  -4.952  45.026  -1.026
   75   2HH1  ARG   9          2HH1      ARG   9  -6.419  45.930  -0.860
   76   1HH2  ARG   9          1HH2      ARG   9  -8.414  43.122  -0.123
   77   2HH2  ARG   9          2HH2      ARG   9  -8.402  44.840  -0.342
   78    H    SER  10           H        SER  10  -5.291  36.148   0.785
   79    HA   SER  10           HA       SER  10  -2.968  35.822  -0.763
   80   1HB   SER  10          1HB       SER  10  -2.873  38.074   0.876
   81   2HB   SER  10          2HB       SER  10  -2.100  36.854   1.870
   82    HG   SER  10           HG       SER  10  -0.394  36.808   0.555
   83    H    CYS  11           H        CYS  11  -4.809  33.970   0.052
   84    HA   CYS  11           HA       CYS  11  -4.317  32.888   2.593
   85   1HB   CYS  11          1HB       CYS  11  -5.823  32.096   0.162
   86   2HB   CYS  11          2HB       CYS  11  -5.300  30.773   1.185
   87    HG   CYS  11           HG       CYS  11  -6.306  31.594   3.394
   88    HA   PRO  12           HA       PRO  12  -0.662  30.676   1.742
   89   1HB   PRO  12          1HB       PRO  12  -0.762  28.703   3.631
   90   2HB   PRO  12          2HB       PRO  12  -0.246  30.341   3.982
   91   1HG   PRO  12          1HG       PRO  12  -2.807  29.022   4.648
   92   2HG   PRO  12          2HG       PRO  12  -2.107  30.474   5.337
   93   1HD   PRO  12          1HD       PRO  12  -4.246  30.338   3.431
   94   2HD   PRO  12          2HD       PRO  12  -3.469  31.789   4.033
   95    H    VAL  13           H        VAL  13  -3.025  28.175   2.566
   96    HA   VAL  13           HA       VAL  13  -3.610  26.331   1.501
   97    HB   VAL  13           HB       VAL  13  -2.808  27.833  -0.999
   98   1HG1  VAL  13          1HG1      VAL  13  -3.635  25.180  -0.697
   99   2HG1  VAL  13          2HG1      VAL  13  -5.103  26.052  -1.200
  100   3HG1  VAL  13          3HG1      VAL  13  -3.632  26.136  -2.199
  101   1HG2  VAL  13          1HG2      VAL  13  -4.932  28.314   0.920
  102   2HG2  VAL  13          2HG2      VAL  13  -4.446  29.268  -0.502
  103   3HG2  VAL  13          3HG2      VAL  13  -5.597  27.922  -0.684
  104    H    LEU  14           H        LEU  14  -0.910  26.597   2.569
  105    HA   LEU  14           HA       LEU  14   0.727  25.191   0.623
  106   1HB   LEU  14          1HB       LEU  14   1.544  25.929   3.416
  107   2HB   LEU  14          2HB       LEU  14   2.548  25.667   2.004
  108    HG   LEU  14           HG       LEU  14   0.636  27.901   1.738
  109   1HD1  LEU  14          1HD1      LEU  14   2.872  28.039   3.778
  110   2HD1  LEU  14          2HD1      LEU  14   1.976  29.438   3.140
  111   3HD1  LEU  14          3HD1      LEU  14   1.126  28.192   4.086
  112   1HD2  LEU  14          1HD2      LEU  14   3.542  27.393   1.112
  113   2HD2  LEU  14          2HD2      LEU  14   2.182  27.669  -0.003
  114   3HD2  LEU  14          3HD2      LEU  14   2.819  29.013   0.975
  115    H    SER  15           H        SER  15  -1.810  24.152   2.122
  116    HA   SER  15           HA       SER  15  -0.759  22.145   3.817
  117   1HB   SER  15          1HB       SER  15  -3.047  23.142   4.063
  118   2HB   SER  15          2HB       SER  15  -3.524  22.394   2.552
  119    HG   SER  15           HG       SER  15  -4.194  21.052   4.277
  120    H    GLN  16           H        GLN  16   0.804  21.699   1.746
  121    HA   GLN  16           HA       GLN  16  -0.101  19.190   0.772
  122   1HB   GLN  16          1HB       GLN  16  -0.973  21.077  -0.849
  123   2HB   GLN  16          2HB       GLN  16   0.694  21.164  -1.384
  124   1HG   GLN  16          1HG       GLN  16   0.562  19.180  -2.513
  125   2HG   GLN  16          2HG       GLN  16  -0.276  18.380  -1.199
  126   1HE2  GLN  16          2HE2      GLN  16  -1.189  17.592  -3.424
  127   2HE2  GLN  16          1HE2      GLN  16  -2.673  18.333  -3.922
  128    H    GLY  17           H        GLY  17   2.044  20.437   2.464
  129   1HA   GLY  17          1HA       GLY  17   4.355  20.708   2.463
  130   2HA   GLY  17          2HA       GLY  17   4.454  20.024   0.852
  131    HA   PRO  18           HA       PRO  18   5.068  16.790   4.184
  132   1HB   PRO  18          1HB       PRO  18   3.577  16.756   6.474
  133   2HB   PRO  18          2HB       PRO  18   5.107  17.601   6.338
  134   1HG   PRO  18          1HG       PRO  18   2.370  18.717   6.370
  135   2HG   PRO  18          2HG       PRO  18   3.892  19.535   6.661
  136   1HD   PRO  18          1HD       PRO  18   2.310  19.653   4.271
  137   2HD   PRO  18          2HD       PRO  18   3.887  20.376   4.521
  138    H    THR  19           H        THR  19   3.774  14.856   5.542
  139    HA   THR  19           HA       THR  19   1.397  14.307   3.924
  140    HB   THR  19           HB       THR  19   2.430  11.921   3.662
  141    HG1  THR  19           HG1      THR  19   4.753  13.645   4.163
  142   1HG2  THR  19          1HG2      THR  19   3.034  14.402   2.165
  143   2HG2  THR  19          2HG2      THR  19   4.327  13.186   2.026
  144   3HG2  THR  19          3HG2      THR  19   2.663  12.776   1.543
  145    H    GLY  20           H        GLY  20   3.553  13.008   6.539
  146   1HA   GLY  20          1HA       GLY  20   1.305  12.971   8.358
  147   2HA   GLY  20          2HA       GLY  20   2.972  12.550   8.698
  148    H    LEU  21           H        LEU  21   3.772  10.399   8.202
  149    HA   LEU  21           HA       LEU  21   1.603   8.458   8.160
  150   1HB   LEU  21          1HB       LEU  21   3.821   8.646   6.141
  151   2HB   LEU  21          2HB       LEU  21   3.089   7.103   6.537
  152    HG   LEU  21           HG       LEU  21   1.363   9.425   5.707
  153   1HD1  LEU  21          1HD1      LEU  21   3.422   8.668   4.102
  154   2HD1  LEU  21          2HD1      LEU  21   2.143   7.553   3.563
  155   3HD1  LEU  21          3HD1      LEU  21   1.867   9.311   3.521
  156   1HD2  LEU  21          1HD2      LEU  21   0.665   7.015   6.644
  157   2HD2  LEU  21          2HD2      LEU  21  -0.293   7.901   5.433
  158   3HD2  LEU  21          3HD2      LEU  21   0.819   6.611   4.917
  159    H    LEU  22           H        LEU  22   5.230   8.446   7.936
  160    HA   LEU  22           HA       LEU  22   6.759   7.794   9.413
  161   1HB   LEU  22          1HB       LEU  22   4.934   8.757  11.081
  162   2HB   LEU  22          2HB       LEU  22   4.781   7.068  11.522
  163    HG   LEU  22           HG       LEU  22   7.500   8.349  11.455
  164   1HD1  LEU  22          1HD1      LEU  22   5.971   9.843  12.753
  165   2HD1  LEU  22          2HD1      LEU  22   5.653   8.478  13.850
  166   3HD1  LEU  22          3HD1      LEU  22   7.300   9.136  13.704
  167   1HD2  LEU  22          1HD2      LEU  22   6.404   5.809  12.225
  168   2HD2  LEU  22          2HD2      LEU  22   8.103   6.336  12.161
  169   3HD2  LEU  22          3HD2      LEU  22   7.147   6.592  13.640
  170    H    GLY  23           H        GLY  23   3.779   5.757   9.871
  171   1HA   GLY  23          1HA       GLY  23   3.472   3.538   9.690
  172   2HA   GLY  23          2HA       GLY  23   5.160   3.327  10.108
  173    H    LYS  24           H        LYS  24   4.099   5.251   7.285
  174    HA   LYS  24           HA       LYS  24   4.387   3.100   5.444
  175   1HB   LYS  24          1HB       LYS  24   3.016   5.381   5.355
  176   2HB   LYS  24          2HB       LYS  24   4.480   5.966   4.590
  177   1HG   LYS  24          1HG       LYS  24   4.362   4.216   2.875
  178   2HG   LYS  24          2HG       LYS  24   3.029   3.431   3.699
  179   1HD   LYS  24          1HD       LYS  24   1.695   5.605   3.392
  180   2HD   LYS  24          2HD       LYS  24   2.995   6.176   2.366
  181   1HE   LYS  24          1HE       LYS  24   1.415   5.221   0.852
  182   2HE   LYS  24          2HE       LYS  24   2.681   4.015   0.983
  183    H    VAL  25           H        VAL  25   6.529   5.386   7.025
  184    HA   VAL  25           HA       VAL  25   8.612   4.926   5.048
  185    HB   VAL  25           HB       VAL  25   8.609   6.591   7.572
  186   1HG1  VAL  25          1HG1      VAL  25  10.627   5.998   5.496
  187   2HG1  VAL  25          2HG1      VAL  25  10.429   7.724   5.880
  188   3HG1  VAL  25          3HG1      VAL  25  10.830   6.566   7.171
  189   1HG2  VAL  25          1HG2      VAL  25   7.190   7.025   5.159
  190   2HG2  VAL  25          2HG2      VAL  25   7.434   8.159   6.509
  191   3HG2  VAL  25          3HG2      VAL  25   8.577   8.141   5.145
  192    H    ALA  26           H        ALA  26   7.352   3.576   7.964
  193    HA   ALA  26           HA       ALA  26   9.803   2.672   9.067
  194   1HB   ALA  26          1HB       ALA  26   7.709   0.969   9.885
  195   2HB   ALA  26          2HB       ALA  26   8.329   2.400  10.744
  196   3HB   ALA  26          3HB       ALA  26   6.951   2.559   9.629
  197    H    LYS  27           H        LYS  27   7.150   1.001   7.218
  198    HA   LYS  27           HA       LYS  27   8.406  -1.428   6.972
  199   1HB   LYS  27          1HB       LYS  27   6.894  -1.810   5.086
  200   2HB   LYS  27          2HB       LYS  27   6.064  -1.060   6.434
  201   1HG   LYS  27          1HG       LYS  27   5.681   0.903   5.290
  202   2HG   LYS  27          2HG       LYS  27   7.243   0.871   4.496
  203   1HD   LYS  27          1HD       LYS  27   6.380  -0.993   3.000
  204   2HD   LYS  27          2HD       LYS  27   4.802  -0.801   3.736
  205   1HE   LYS  27          1HE       LYS  27   4.328   0.970   2.396
  206   2HE   LYS  27          2HE       LYS  27   5.774   1.811   2.917
  207    H    THR  28           H        THR  28   9.053   1.647   5.352
  208    HA   THR  28           HA       THR  28  10.519   0.544   3.184
  209    HB   THR  28           HB       THR  28  10.308   3.295   4.501
  210    HG1  THR  28           HG1      THR  28   9.237   3.490   2.268
  211   1HG2  THR  28          1HG2      THR  28  11.813   2.397   1.992
  212   2HG2  THR  28          2HG2      THR  28  11.286   4.077   2.258
  213   3HG2  THR  28          3HG2      THR  28  12.465   3.329   3.362
  214    H    TYR  29           H        TYR  29  11.460   1.882   6.407
  215    HA   TYR  29           HA       TYR  29  14.215   1.560   5.989
  216   1HB   TYR  29          1HB       TYR  29  12.539   2.719   7.824
  217   2HB   TYR  29          2HB       TYR  29  12.838   1.220   8.682
  218    HD1  TYR  29           HD1      TYR  29  15.475   0.556   8.742
  219    HD2  TYR  29           HD2      TYR  29  13.903   4.516   8.350
  220    HE1  TYR  29           HE1      TYR  29  17.647   1.516   9.651
  221    HE2  TYR  29           HE2      TYR  29  16.080   5.463   9.260
  222    HH   TYR  29           HH       TYR  29  18.789   3.309  10.056
  223    H    GLN  30           H        GLN  30  11.670  -0.599   7.352
  224    HA   GLN  30           HA       GLN  30  13.352  -2.500   8.388
  225   1HB   GLN  30          1HB       GLN  30  10.605  -2.155   8.124
  226   2HB   GLN  30          2HB       GLN  30  10.892  -3.576   7.139
  227   1HG   GLN  30          1HG       GLN  30  10.848  -4.753   9.087
  228   2HG   GLN  30          2HG       GLN  30  12.454  -4.114   9.377
  229   1HE2  GLN  30          2HE2      GLN  30   9.700  -4.656  10.852
  230   2HE2  GLN  30          1HE2      GLN  30   9.580  -3.329  11.959
  231    H    PHE  31           H        PHE  31  12.818  -1.588   5.094
  232    HA   PHE  31           HA       PHE  31  13.886  -4.160   4.174
  233   1HB   PHE  31          1HB       PHE  31  11.635  -2.907   3.371
  234   2HB   PHE  31          2HB       PHE  31  12.746  -1.909   2.454
  235    HD1  PHE  31           HD1      PHE  31  13.220  -2.544   0.291
  236    HD2  PHE  31           HD2      PHE  31  12.055  -5.530   3.072
  237    HE1  PHE  31           HE1      PHE  31  13.253  -4.262  -1.539
  238    HE2  PHE  31           HE2      PHE  31  12.088  -7.247   1.242
  239    HZ   PHE  31           HZ       PHE  31  12.686  -6.593  -1.042
  240    H    LEU  32           H        LEU  32  14.266  -0.585   4.088
  241    HA   LEU  32           HA       LEU  32  16.369  -0.527   2.253
  242   1HB   LEU  32          1HB       LEU  32  15.662   1.563   2.476
  243   2HB   LEU  32          2HB       LEU  32  15.013   1.282   4.079
  244    HG   LEU  32           HG       LEU  32  17.407   1.477   4.945
  245   1HD1  LEU  32          1HD1      LEU  32  18.480   1.142   2.718
  246   2HD1  LEU  32          2HD1      LEU  32  17.900   2.757   2.245
  247   3HD1  LEU  32          3HD1      LEU  32  19.049   2.583   3.593
  248   1HD2  LEU  32          1HD2      LEU  32  15.429   3.392   4.424
  249   2HD2  LEU  32          2HD2      LEU  32  16.784   3.513   5.573
  250   3HD2  LEU  32          3HD2      LEU  32  16.961   4.144   3.918
  251    H    PHE  33           H        PHE  33  16.342  -0.681   5.874
  252    HA   PHE  33           HA       PHE  33  18.914  -0.490   6.486
  253   1HB   PHE  33          1HB       PHE  33  16.707  -1.300   7.774
  254   2HB   PHE  33          2HB       PHE  33  17.279  -2.912   7.392
  255    HD1  PHE  33           HD1      PHE  33  20.134  -2.789   7.803
  256    HD2  PHE  33           HD2      PHE  33  17.035  -0.926  10.026
  257    HE1  PHE  33           HE1      PHE  33  21.614  -2.745   9.830
  258    HE2  PHE  33           HE2      PHE  33  18.515  -0.883  12.053
  259    HZ   PHE  33           HZ       PHE  33  20.787  -1.793  11.931
  260    H    SER  34           H        SER  34  17.373  -3.500   5.167
  261    HA   SER  34           HA       SER  34  20.005  -4.236   4.212
  262   1HB   SER  34          1HB       SER  34  18.178  -6.070   5.825
  263   2HB   SER  34          2HB       SER  34  19.586  -6.623   4.941
  264    HG   SER  34           HG       SER  34  19.455  -4.965   7.279
  265    H    ILE  35           H        ILE  35  19.127  -3.569   2.123
  266    HA   ILE  35           HA       ILE  35  16.713  -4.601   1.128
  267    HB   ILE  35           HB       ILE  35  19.137  -3.441  -0.246
  268   1HG1  ILE  35          1HG1      ILE  35  16.733  -1.823  -0.233
  269   2HG1  ILE  35          2HG1      ILE  35  17.186  -2.256   1.403
  270   1HG2  ILE  35          1HG2      ILE  35  16.413  -4.167  -1.342
  271   2HG2  ILE  35          2HG2      ILE  35  17.525  -3.028  -2.139
  272   3HG2  ILE  35          3HG2      ILE  35  18.010  -4.724  -1.897
  273   1HD1  ILE  35          1HD1      ILE  35  19.187  -1.161  -0.619
  274   2HD1  ILE  35          2HD1      ILE  35  18.269  -0.127   0.502
  275   3HD1  ILE  35          3HD1      ILE  35  19.408  -1.338   1.138
  276    H    GLY  36           H        GLY  36  19.644  -5.251  -0.765
  277   1HA   GLY  36          1HA       GLY  36  19.261  -7.460  -1.971
  278   2HA   GLY  36          2HA       GLY  36  19.245  -8.147  -0.359
  279    H    ARG  37           H        ARG  37  21.139  -9.438  -0.943
  280    HA   ARG  37           HA       ARG  37  23.546  -7.805  -0.839
  281   1HB   ARG  37          1HB       ARG  37  22.719 -10.331   0.506
  282   2HB   ARG  37          2HB       ARG  37  24.346 -10.379  -0.142
  283   1HG   ARG  37          1HG       ARG  37  24.270  -7.863   1.056
  284   2HG   ARG  37          2HG       ARG  37  23.268  -8.813   2.136
  285   1HD   ARG  37          1HD       ARG  37  25.050 -10.021   2.921
  286   2HD   ARG  37          2HD       ARG  37  25.724 -10.248   1.319
  287    HE   ARG  37           HE       ARG  37  26.000  -7.502   2.303
  288   1HH1  ARG  37          1HH1      ARG  37  28.108  -6.737   2.745
  289   2HH1  ARG  37          2HH1      ARG  37  29.425  -7.855   2.874
  290   1HH2  ARG  37          1HH2      ARG  37  27.450 -10.708   2.265
  291   2HH2  ARG  37          2HH2      ARG  37  29.048 -10.129   2.599
  292    H    CYS  38           H        CYS  38  21.725 -10.320  -2.529
  293    HA   CYS  38           HA       CYS  38  21.994 -11.287  -4.481
  294   1HB   CYS  38          1HB       CYS  38  24.094  -9.141  -4.837
  295   2HB   CYS  38          2HB       CYS  38  23.796 -10.347  -6.073
  296    HG   CYS  38           HG       CYS  38  21.620  -8.305  -4.632
  297    HA   PRO  39           HA       PRO  39  25.068 -14.269  -3.678
  298   1HB   PRO  39          1HB       PRO  39  25.025 -15.737  -5.983
  299   2HB   PRO  39          2HB       PRO  39  23.843 -15.927  -4.704
  300   1HG   PRO  39          1HG       PRO  39  23.537 -14.601  -7.328
  301   2HG   PRO  39          2HG       PRO  39  22.292 -15.172  -6.235
  302   1HD   PRO  39          1HD       PRO  39  23.116 -12.453  -6.629
  303   2HD   PRO  39          2HD       PRO  39  21.954 -13.036  -5.454
  304    H    ILE  40           H        ILE  40  25.540 -13.693  -7.128
  305    HA   ILE  40           HA       ILE  40  27.308 -12.988  -8.251
  306    HB   ILE  40           HB       ILE  40  28.348 -11.948  -5.613
  307   1HG1  ILE  40          1HG1      ILE  40  26.766 -10.437  -7.706
  308   2HG1  ILE  40          2HG1      ILE  40  26.034 -11.165  -6.290
  309   1HG2  ILE  40          1HG2      ILE  40  29.343 -11.835  -8.386
  310   2HG2  ILE  40          2HG2      ILE  40  29.284 -10.269  -7.542
  311   3HG2  ILE  40          3HG2      ILE  40  30.200 -11.624  -6.840
  312   1HD1  ILE  40          1HD1      ILE  40  28.420  -9.318  -5.984
  313   2HD1  ILE  40          2HD1      ILE  40  26.777  -8.657  -6.167
  314   3HD1  ILE  40          3HD1      ILE  40  27.160  -9.721  -4.792
  315    H    LEU  41           H        LEU  41  28.560 -14.144  -5.035
  316    HA   LEU  41           HA       LEU  41  30.025 -16.194  -6.537
  317   1HB   LEU  41          1HB       LEU  41  31.150 -14.753  -4.144
  318   2HB   LEU  41          2HB       LEU  41  31.964 -15.878  -5.213
  319    HG   LEU  41           HG       LEU  41  30.953 -13.622  -6.723
  320   1HD1  LEU  41          1HD1      LEU  41  32.592 -13.002  -4.265
  321   2HD1  LEU  41          2HD1      LEU  41  32.608 -11.964  -5.711
  322   3HD1  LEU  41          3HD1      LEU  41  31.086 -12.238  -4.829
  323   1HD2  LEU  41          1HD2      LEU  41  33.035 -15.410  -6.861
  324   2HD2  LEU  41          2HD2      LEU  41  32.843 -13.955  -7.869
  325   3HD2  LEU  41          3HD2      LEU  41  33.856 -13.897  -6.407
  326    H    ALA  42           H        ALA  42  27.515 -16.743  -5.633
  327    HA   ALA  42           HA       ALA  42  27.864 -17.944  -2.991
  328   1HB   ALA  42          1HB       ALA  42  25.427 -17.422  -4.739
  329   2HB   ALA  42          2HB       ALA  42  25.894 -16.551  -3.258
  330   3HB   ALA  42          3HB       ALA  42  25.375 -18.251  -3.164
  331    H    THR  43           H        THR  43  26.403 -18.818  -6.210
  332    HA   THR  43           HA       THR  43  27.818 -21.346  -6.124
  333    HB   THR  43           HB       THR  43  24.771 -21.091  -5.977
  334    HG1  THR  43           HG1      THR  43  26.847 -22.536  -4.487
  335   1HG2  THR  43          1HG2      THR  43  26.576 -23.500  -6.536
  336   2HG2  THR  43          2HG2      THR  43  24.891 -23.642  -5.980
  337   3HG2  THR  43          3HG2      THR  43  25.247 -22.902  -7.559
  338    H    GLN  44           H        GLN  44  28.751 -19.779  -7.843
  339    HA   GLN  44           HA       GLN  44  27.997 -20.815 -10.293
  340   1HB   GLN  44          1HB       GLN  44  26.044 -19.217  -9.912
  341   2HB   GLN  44          2HB       GLN  44  27.189 -17.893  -9.985
  342   1HG   GLN  44          1HG       GLN  44  27.487 -19.783 -12.242
  343   2HG   GLN  44          2HG       GLN  44  25.892 -19.059 -12.173
  344   1HE2  GLN  44          2HE2      GLN  44  27.007 -18.327 -14.293
  345   2HE2  GLN  44          1HE2      GLN  44  27.750 -16.763 -14.260
  346    H    GLY  45           H        GLY  45  29.185 -17.695  -8.840
  347   1HA   GLY  45          1HA       GLY  45  31.255 -16.783  -8.883
  348   2HA   GLY  45          2HA       GLY  45  31.056 -16.922 -10.618
  349    HA   PRO  46           HA       PRO  46  34.320 -19.859  -8.947
  350   1HB   PRO  46          1HB       PRO  46  33.887 -21.390  -6.725
  351   2HB   PRO  46          2HB       PRO  46  34.637 -19.807  -6.667
  352   1HG   PRO  46          1HG       PRO  46  31.894 -20.588  -5.887
  353   2HG   PRO  46          2HG       PRO  46  32.791 -19.146  -5.453
  354   1HD   PRO  46          1HD       PRO  46  30.694 -19.341  -7.400
  355   2HD   PRO  46          2HD       PRO  46  31.668 -17.928  -7.048
  356    H    THR  47           H        THR  47  35.011 -21.795  -9.809
  357    HA   THR  47           HA       THR  47  33.064 -23.186 -11.246
  358    HB   THR  47           HB       THR  47  35.059 -24.838 -11.481
  359    HG1  THR  47           HG1      THR  47  36.126 -24.369  -9.498
  360   1HG2  THR  47          1HG2      THR  47  35.340 -21.843 -11.997
  361   2HG2  THR  47          2HG2      THR  47  36.618 -22.993 -12.460
  362   3HG2  THR  47          3HG2      THR  47  34.994 -23.129 -13.178
  363    H    CYS  48           H        CYS  48  32.596 -25.567 -11.091
  364    HA   CYS  48           HA       CYS  48  31.514 -26.036  -8.505
  365   1HB   CYS  48          1HB       CYS  48  30.850 -26.825 -11.068
  366   2HB   CYS  48          2HB       CYS  48  31.506 -28.301 -10.387
  367    HG   CYS  48           HG       CYS  48  28.731 -27.711 -10.229
  368    H    SER  49           H        SER  49  32.099 -27.806  -7.065
  369    HA   SER  49           HA       SER  49  34.632 -29.070  -7.708
  370   1HB   SER  49          1HB       SER  49  35.646 -28.498  -5.645
  371   2HB   SER  49          2HB       SER  49  34.900 -27.004  -6.178
  372    HG   SER  49           HG       SER  49  33.202 -27.288  -4.702

  No H/Q in entry =         372
  Start of MODEL    6
    1    H    MET   1           H        MET   1 -37.400  12.640   9.405
    2    HA   MET   1           HA       MET   1 -38.229  15.145  10.633
    3   1HB   MET   1          1HB       MET   1 -36.779  12.653  11.548
    4   2HB   MET   1          2HB       MET   1 -36.332  14.157  12.330
    5   1HG   MET   1          1HG       MET   1 -38.627  14.554  13.061
    6   2HG   MET   1          2HG       MET   1 -39.232  13.239  12.074
    7   1HE   MET   1          1HE       MET   1 -39.194  14.212  15.145
    8   2HE   MET   1          2HE       MET   1 -40.191  12.739  15.102
    9   3HE   MET   1          3HE       MET   1 -38.825  12.857  16.238
   10    H    VAL   2           H        VAL   2 -36.056  13.913   8.352
   11    HA   VAL   2           HA       VAL   2 -33.797  15.521   9.127
   12    HB   VAL   2           HB       VAL   2 -33.730  13.259   7.998
   13   1HG1  VAL   2          1HG1      VAL   2 -35.521  14.174   6.255
   14   2HG1  VAL   2          2HG1      VAL   2 -34.052  14.646   5.367
   15   3HG1  VAL   2          3HG1      VAL   2 -34.318  12.941   5.804
   16   1HG2  VAL   2          1HG2      VAL   2 -31.968  15.330   7.967
   17   2HG2  VAL   2          2HG2      VAL   2 -31.635  13.722   7.280
   18   3HG2  VAL   2          3HG2      VAL   2 -32.174  15.048   6.222
   19    H    ALA   3           H        ALA   3 -32.921  17.260   7.755
   20    HA   ALA   3           HA       ALA   3 -34.581  18.396   5.743
   21   1HB   ALA   3          1HB       ALA   3 -35.843  19.070   7.772
   22   2HB   ALA   3          2HB       ALA   3 -34.374  19.842   8.416
   23   3HB   ALA   3          3HB       ALA   3 -35.134  20.471   6.935
   24    H    ALA   4           H        ALA   4 -32.812  18.522   4.390
   25    HA   ALA   4           HA       ALA   4 -30.520  20.037   5.441
   26   1HB   ALA   4          1HB       ALA   4 -30.742  17.499   4.035
   27   2HB   ALA   4          2HB       ALA   4 -29.752  18.652   3.108
   28   3HB   ALA   4          3HB       ALA   4 -29.316  18.254   4.787
   29    H    ALA   5           H        ALA   5 -32.236  19.223   2.334
   30    HA   ALA   5           HA       ALA   5 -32.791  20.476   0.598
   31   1HB   ALA   5          1HB       ALA   5 -32.846  22.460   2.854
   32   2HB   ALA   5          2HB       ALA   5 -34.171  21.877   1.818
   33   3HB   ALA   5          3HB       ALA   5 -33.003  23.062   1.187
   34    H    MET   6           H        MET   6 -30.396  19.644   0.186
   35    HA   MET   6           HA       MET   6 -29.154  21.608  -1.277
   36   1HB   MET   6          1HB       MET   6 -26.957  21.557   0.265
   37   2HB   MET   6          2HB       MET   6 -28.225  22.725   0.581
   38   1HG   MET   6          1HG       MET   6 -28.927  21.657   2.519
   39   2HG   MET   6          2HG       MET   6 -28.567  20.057   1.903
   40   1HE   MET   6          1HE       MET   6 -27.950  19.944   4.470
   41   2HE   MET   6          2HE       MET   6 -26.879  18.835   3.581
   42   3HE   MET   6          3HE       MET   6 -26.214  19.880   4.859
   43    H    LEU   7           H        LEU   7 -28.875  18.598   0.641
   44    HA   LEU   7           HA       LEU   7 -27.689  16.737   0.315
   45   1HB   LEU   7          1HB       LEU   7 -29.657  16.734  -1.300
   46   2HB   LEU   7          2HB       LEU   7 -28.499  17.090  -2.566
   47    HG   LEU   7           HG       LEU   7 -27.397  14.887  -1.246
   48   1HD1  LEU   7          1HD1      LEU   7 -30.404  14.678  -1.356
   49   2HD1  LEU   7          2HD1      LEU   7 -29.351  13.245  -1.433
   50   3HD1  LEU   7          3HD1      LEU   7 -29.301  14.310  -0.008
   51   1HD2  LEU   7          1HD2      LEU   7 -27.865  15.640  -3.792
   52   2HD2  LEU   7          2HD2      LEU   7 -27.362  13.999  -3.321
   53   3HD2  LEU   7          3HD2      LEU   7 -29.080  14.350  -3.625
   54    H    LEU   8           H        LEU   8 -25.806  18.501   0.708
   55    HA   LEU   8           HA       LEU   8 -23.617  17.574  -0.671
   56   1HB   LEU   8          1HB       LEU   8 -25.062  19.615  -2.130
   57   2HB   LEU   8          2HB       LEU   8 -23.445  20.159  -1.731
   58    HG   LEU   8           HG       LEU   8 -23.839  17.446  -2.964
   59   1HD1  LEU   8          1HD1      LEU   8 -24.153  20.099  -4.316
   60   2HD1  LEU   8          2HD1      LEU   8 -23.353  18.766  -5.184
   61   3HD1  LEU   8          3HD1      LEU   8 -25.017  18.566  -4.584
   62   1HD2  LEU   8          1HD2      LEU   8 -21.621  18.820  -2.061
   63   2HD2  LEU   8          2HD2      LEU   8 -21.619  17.440  -3.186
   64   3HD2  LEU   8          3HD2      LEU   8 -21.587  19.103  -3.818
   65    H    ARG   9           H        ARG   9 -22.444  17.592   1.187
   66    HA   ARG   9           HA       ARG   9 -21.860  20.193   2.250
   67   1HB   ARG   9          1HB       ARG   9 -22.216  19.338   4.633
   68   2HB   ARG   9          2HB       ARG   9 -23.689  19.587   3.718
   69   1HG   ARG   9          1HG       ARG   9 -23.424  17.048   3.048
   70   2HG   ARG   9          2HG       ARG   9 -22.324  16.966   4.410
   71   1HD   ARG   9          1HD       ARG   9 -24.062  16.884   5.870
   72   2HD   ARG   9          2HD       ARG   9 -24.705  18.392   5.249
   73    HE   ARG   9           HE       ARG   9 -25.301  16.270   3.399
   74   1HH1  ARG   9          1HH1      ARG   9 -27.418  15.416   3.282
   75   2HH1  ARG   9          2HH1      ARG   9 -28.521  15.655   4.596
   76   1HH2  ARG   9          1HH2      ARG   9 -26.245  17.489   6.562
   77   2HH2  ARG   9          2HH2      ARG   9 -27.849  16.842   6.474
   78    H    SER  10           H        SER  10 -21.437  16.600   2.533
   79    HA   SER  10           HA       SER  10 -19.708  15.383   3.108
   80   1HB   SER  10          1HB       SER  10 -19.180  16.766   0.725
   81   2HB   SER  10          2HB       SER  10 -17.690  16.940   1.630
   82    HG   SER  10           HG       SER  10 -17.304  14.987   0.794
   83    H    CYS  11           H        CYS  11 -20.225  17.478   5.033
   84    HA   CYS  11           HA       CYS  11 -17.854  18.837   5.692
   85   1HB   CYS  11          1HB       CYS  11 -18.983  19.411   7.770
   86   2HB   CYS  11          2HB       CYS  11 -20.077  19.605   6.415
   87    HG   CYS  11           HG       CYS  11 -21.503  18.624   8.296
   88    HA   PRO  12           HA       PRO  12 -15.778  15.631   7.788
   89   1HB   PRO  12          1HB       PRO  12 -14.150  17.039   9.472
   90   2HB   PRO  12          2HB       PRO  12 -13.792  16.796   7.774
   91   1HG   PRO  12          1HG       PRO  12 -14.775  19.232   9.131
   92   2HG   PRO  12          2HG       PRO  12 -14.018  19.081   7.557
   93   1HD   PRO  12          1HD       PRO  12 -16.811  19.459   8.089
   94   2HD   PRO  12          2HD       PRO  12 -16.069  19.192   6.524
   95    H    VAL  13           H        VAL  13 -15.246  14.583   9.915
   96    HA   VAL  13           HA       VAL  13 -17.049  15.523  11.993
   97    HB   VAL  13           HB       VAL  13 -17.587  12.890  12.123
   98   1HG1  VAL  13          1HG1      VAL  13 -18.955  15.294  11.304
   99   2HG1  VAL  13          2HG1      VAL  13 -19.551  13.906  10.360
  100   3HG1  VAL  13          3HG1      VAL  13 -19.596  13.858  12.139
  101   1HG2  VAL  13          1HG2      VAL  13 -16.287  12.818   9.799
  102   2HG2  VAL  13          2HG2      VAL  13 -17.704  11.788  10.116
  103   3HG2  VAL  13          3HG2      VAL  13 -17.886  13.287   9.174
  104    H    LEU  14           H        LEU  14 -14.670  13.011  10.910
  105    HA   LEU  14           HA       LEU  14 -13.705  12.828  13.645
  106   1HB   LEU  14          1HB       LEU  14 -13.400  11.214  11.148
  107   2HB   LEU  14          2HB       LEU  14 -12.170  11.096  12.391
  108    HG   LEU  14           HG       LEU  14 -14.516  10.800  13.833
  109   1HD1  LEU  14          1HD1      LEU  14 -15.296  10.431  11.194
  110   2HD1  LEU  14          2HD1      LEU  14 -15.054   8.778  11.807
  111   3HD1  LEU  14          3HD1      LEU  14 -16.164   9.885  12.649
  112   1HD2  LEU  14          1HD2      LEU  14 -12.318   9.066  12.879
  113   2HD2  LEU  14          2HD2      LEU  14 -12.939   9.348  14.523
  114   3HD2  LEU  14          3HD2      LEU  14 -13.787   8.226  13.432
  115    H    SER  15           H        SER  15 -13.144  14.601  10.750
  116    HA   SER  15           HA       SER  15 -11.727  16.270  10.471
  117   1HB   SER  15          1HB       SER  15 -11.298  16.048  13.067
  118   2HB   SER  15          2HB       SER  15  -9.809  15.259  12.586
  119    HG   SER  15           HG       SER  15  -9.749  17.673  12.923
  120    H    GLN  16           H        GLN  16 -10.183  13.111  11.362
  121    HA   GLN  16           HA       GLN  16  -8.945  11.751  10.185
  122   1HB   GLN  16          1HB       GLN  16 -10.158  13.314   8.110
  123   2HB   GLN  16          2HB       GLN  16  -8.469  13.122   7.682
  124   1HG   GLN  16          1HG       GLN  16  -9.681  11.229   6.761
  125   2HG   GLN  16          2HG       GLN  16  -8.690  10.634   8.079
  126   1HE2  GLN  16          2HE2      GLN  16 -11.848  11.109   6.848
  127   2HE2  GLN  16          1HE2      GLN  16 -12.760  10.400   8.138
  128    H    GLY  17           H        GLY  17  -7.399  12.611  11.878
  129   1HA   GLY  17          1HA       GLY  17  -5.598  14.015  12.454
  130   2HA   GLY  17          2HA       GLY  17  -5.332  14.383  10.761
  131    HA   PRO  18           HA       PRO  18  -2.795  10.717  12.178
  132   1HB   PRO  18          1HB       PRO  18  -3.773   8.851  13.919
  133   2HB   PRO  18          2HB       PRO  18  -2.900  10.280  14.436
  134   1HG   PRO  18          1HG       PRO  18  -5.800   9.727  14.579
  135   2HG   PRO  18          2HG       PRO  18  -4.867  10.926  15.452
  136   1HD   PRO  18          1HD       PRO  18  -6.579  11.392  13.198
  137   2HD   PRO  18          2HD       PRO  18  -5.556  12.568  13.998
  138    H    THR  19           H        THR  19  -3.903  10.676   9.864
  139    HA   THR  19           HA       THR  19  -5.432   8.346   9.361
  140    HB   THR  19           HB       THR  19  -3.844  10.317   7.646
  141    HG1  THR  19           HG1      THR  19  -6.137  10.906   7.234
  142   1HG2  THR  19          1HG2      THR  19  -4.601   7.757   6.793
  143   2HG2  THR  19          2HG2      THR  19  -6.014   8.754   6.373
  144   3HG2  THR  19          3HG2      THR  19  -4.407   9.174   5.734
  145    H    GLY  20           H        GLY  20  -1.993   9.115   8.477
  146   1HA   GLY  20          1HA       GLY  20  -1.451   6.380   7.846
  147   2HA   GLY  20          2HA       GLY  20  -0.844   6.813   9.432
  148    H    LEU  21           H        LEU  21   0.969   8.171   9.650
  149    HA   LEU  21           HA       LEU  21   2.448   8.555   7.197
  150   1HB   LEU  21          1HB       LEU  21   1.417  10.817   8.878
  151   2HB   LEU  21          2HB       LEU  21   2.938  10.969   8.021
  152    HG   LEU  21           HG       LEU  21   1.129  10.002   6.101
  153   1HD1  LEU  21          1HD1      LEU  21  -0.519  10.880   8.016
  154   2HD1  LEU  21          2HD1      LEU  21  -0.208  12.425   7.189
  155   3HD1  LEU  21          3HD1      LEU  21  -0.875  11.048   6.280
  156   1HD2  LEU  21          1HD2      LEU  21   3.021  11.583   5.797
  157   2HD2  LEU  21          2HD2      LEU  21   1.516  12.111   5.008
  158   3HD2  LEU  21          3HD2      LEU  21   2.028  12.861   6.538
  159    H    LEU  22           H        LEU  22   3.415   6.677   8.472
  160    HA   LEU  22           HA       LEU  22   5.741   7.603   9.747
  161   1HB   LEU  22          1HB       LEU  22   3.754   7.772  11.497
  162   2HB   LEU  22          2HB       LEU  22   4.079   6.060  11.682
  163    HG   LEU  22           HG       LEU  22   6.393   7.951  11.830
  164   1HD1  LEU  22          1HD1      LEU  22   4.708   9.068  13.195
  165   2HD1  LEU  22          2HD1      LEU  22   4.413   7.558  14.091
  166   3HD1  LEU  22          3HD1      LEU  22   5.992   8.371  14.212
  167   1HD2  LEU  22          1HD2      LEU  22   6.785   5.544  11.913
  168   2HD2  LEU  22          2HD2      LEU  22   7.209   6.315  13.460
  169   3HD2  LEU  22          3HD2      LEU  22   5.690   5.400  13.308
  170    H    GLY  23           H        GLY  23   3.428   4.797   9.761
  171   1HA   GLY  23          1HA       GLY  23   3.718   2.648   9.176
  172   2HA   GLY  23          2HA       GLY  23   5.363   2.792   9.764
  173    H    LYS  24           H        LYS  24   4.422   5.052   7.250
  174    HA   LYS  24           HA       LYS  24   5.089   3.372   5.056
  175   1HB   LYS  24          1HB       LYS  24   3.508   5.237   4.866
  176   2HB   LYS  24          2HB       LYS  24   4.776   6.382   5.256
  177   1HG   LYS  24          1HG       LYS  24   5.786   6.197   3.179
  178   2HG   LYS  24          2HG       LYS  24   5.386   4.499   3.010
  179   1HD   LYS  24          1HD       LYS  24   2.981   5.134   2.598
  180   2HD   LYS  24          2HD       LYS  24   3.428   6.825   2.700
  181   1HE   LYS  24          1HE       LYS  24   4.653   6.770   0.680
  182   2HE   LYS  24          2HE       LYS  24   4.929   5.041   0.770
  183    H    VAL  25           H        VAL  25   6.809   5.779   7.093
  184    HA   VAL  25           HA       VAL  25   9.174   5.594   5.468
  185    HB   VAL  25           HB       VAL  25   8.511   6.940   8.089
  186   1HG1  VAL  25          1HG1      VAL  25  11.119   6.740   6.591
  187   2HG1  VAL  25          2HG1      VAL  25  10.735   8.183   7.560
  188   3HG1  VAL  25          3HG1      VAL  25  10.801   6.582   8.336
  189   1HG2  VAL  25          1HG2      VAL  25   7.522   7.766   5.868
  190   2HG2  VAL  25          2HG2      VAL  25   8.388   8.954   6.870
  191   3HG2  VAL  25          3HG2      VAL  25   9.184   8.244   5.445
  192    H    ALA  26           H        ALA  26   7.680   3.825   8.063
  193    HA   ALA  26           HA       ALA  26  10.138   2.824   9.151
  194   1HB   ALA  26          1HB       ALA  26   8.742   1.657  10.654
  195   2HB   ALA  26          2HB       ALA  26   7.377   1.633   9.512
  196   3HB   ALA  26          3HB       ALA  26   7.841   3.154  10.313
  197    H    LYS  27           H        LYS  27   7.354   1.282   7.379
  198    HA   LYS  27           HA       LYS  27   8.413  -1.141   6.914
  199   1HB   LYS  27          1HB       LYS  27   6.432   0.584   5.610
  200   2HB   LYS  27          2HB       LYS  27   7.166  -0.561   4.506
  201   1HG   LYS  27          1HG       LYS  27   6.487  -1.755   7.132
  202   2HG   LYS  27          2HG       LYS  27   5.089  -1.123   6.284
  203   1HD   LYS  27          1HD       LYS  27   5.109  -2.859   4.824
  204   2HD   LYS  27          2HD       LYS  27   6.776  -2.538   4.389
  205   1HE   LYS  27          1HE       LYS  27   6.964  -4.688   5.301
  206   2HE   LYS  27          2HE       LYS  27   7.338  -3.703   6.701
  207    H    THR  28           H        THR  28   8.888   1.742   4.749
  208    HA   THR  28           HA       THR  28  10.561   0.631   2.917
  209    HB   THR  28           HB       THR  28  10.471   3.396   4.215
  210    HG1  THR  28           HG1      THR  28   9.184   3.712   2.319
  211   1HG2  THR  28          1HG2      THR  28  12.015   2.400   1.768
  212   2HG2  THR  28          2HG2      THR  28  11.574   4.108   2.006
  213   3HG2  THR  28          3HG2      THR  28  12.667   3.303   3.157
  214    H    TYR  29           H        TYR  29  11.658   2.219   5.993
  215    HA   TYR  29           HA       TYR  29  14.336   1.527   5.651
  216   1HB   TYR  29          1HB       TYR  29  12.913   3.107   7.305
  217   2HB   TYR  29          2HB       TYR  29  12.838   1.679   8.317
  218    HD1  TYR  29           HD1      TYR  29  15.212   4.042   6.683
  219    HD2  TYR  29           HD2      TYR  29  14.652   1.082   9.721
  220    HE1  TYR  29           HE1      TYR  29  17.486   4.612   7.668
  221    HE2  TYR  29           HE2      TYR  29  16.927   1.662  10.696
  222    HH   TYR  29           HH       TYR  29  18.680   2.905  10.551
  223    H    GLN  30           H        GLN  30  11.611  -0.175   7.301
  224    HA   GLN  30           HA       GLN  30  13.031  -2.102   8.566
  225   1HB   GLN  30          1HB       GLN  30  10.388  -1.566   8.235
  226   2HB   GLN  30          2HB       GLN  30  10.512  -2.968   7.192
  227   1HG   GLN  30          1HG       GLN  30  10.005  -3.899   9.314
  228   2HG   GLN  30          2HG       GLN  30  11.735  -4.134   9.166
  229   1HE2  GLN  30          2HE2      GLN  30  13.165  -2.915  10.367
  230   2HE2  GLN  30          1HE2      GLN  30  12.696  -1.976  11.745
  231    H    PHE  31           H        PHE  31  12.641  -1.592   5.133
  232    HA   PHE  31           HA       PHE  31  13.667  -4.290   4.615
  233   1HB   PHE  31          1HB       PHE  31  11.526  -2.797   3.549
  234   2HB   PHE  31          2HB       PHE  31  12.796  -2.499   2.379
  235    HD1  PHE  31           HD1      PHE  31  10.787  -5.146   3.987
  236    HD2  PHE  31           HD2      PHE  31  13.469  -4.182   0.842
  237    HE1  PHE  31           HE1      PHE  31  10.300  -7.353   2.894
  238    HE2  PHE  31           HE2      PHE  31  12.981  -6.389  -0.250
  239    HZ   PHE  31           HZ       PHE  31  11.403  -7.948   0.789
  240    H    LEU  32           H        LEU  32  14.061  -0.779   3.849
  241    HA   LEU  32           HA       LEU  32  16.217  -1.027   2.137
  242   1HB   LEU  32          1HB       LEU  32  14.806   1.038   3.542
  243   2HB   LEU  32          2HB       LEU  32  16.528   1.334   3.666
  244    HG   LEU  32           HG       LEU  32  16.238   0.727   0.989
  245   1HD1  LEU  32          1HD1      LEU  32  13.645   1.062   1.772
  246   2HD1  LEU  32          2HD1      LEU  32  14.078   2.710   1.256
  247   3HD1  LEU  32          3HD1      LEU  32  14.263   1.346   0.127
  248   1HD2  LEU  32          1HD2      LEU  32  16.481   3.254   2.573
  249   2HD2  LEU  32          2HD2      LEU  32  17.639   2.476   1.468
  250   3HD2  LEU  32          3HD2      LEU  32  16.236   3.354   0.813
  251    H    PHE  33           H        PHE  33  16.031  -1.043   5.717
  252    HA   PHE  33           HA       PHE  33  18.596  -0.653   6.425
  253   1HB   PHE  33          1HB       PHE  33  16.465  -1.298   7.784
  254   2HB   PHE  33          2HB       PHE  33  16.806  -2.966   7.371
  255    HD1  PHE  33           HD1      PHE  33  17.195  -0.567   9.839
  256    HD2  PHE  33           HD2      PHE  33  19.351  -3.673   7.913
  257    HE1  PHE  33           HE1      PHE  33  18.708  -0.752  11.833
  258    HE2  PHE  33           HE2      PHE  33  20.865  -3.858   9.907
  259    HZ   PHE  33           HZ       PHE  33  20.525  -2.396  11.843
  260    H    SER  34           H        SER  34  17.173  -3.703   5.103
  261    HA   SER  34           HA       SER  34  19.886  -4.499   4.466
  262   1HB   SER  34          1HB       SER  34  18.662  -5.616   6.633
  263   2HB   SER  34          2HB       SER  34  18.058  -6.685   5.383
  264    HG   SER  34           HG       SER  34  20.790  -6.177   5.119
  265    H    ILE  35           H        ILE  35  19.413  -3.975   2.255
  266    HA   ILE  35           HA       ILE  35  17.090  -5.162   1.034
  267    HB   ILE  35           HB       ILE  35  19.341  -3.442   0.001
  268   1HG1  ILE  35          1HG1      ILE  35  17.706  -2.378   1.542
  269   2HG1  ILE  35          2HG1      ILE  35  17.720  -1.680  -0.066
  270   1HG2  ILE  35          1HG2      ILE  35  17.779  -5.205  -1.515
  271   2HG2  ILE  35          2HG2      ILE  35  17.046  -3.601  -1.753
  272   3HG2  ILE  35          3HG2      ILE  35  18.773  -3.852  -2.106
  273   1HD1  ILE  35          1HD1      ILE  35  15.825  -3.884   0.003
  274   2HD1  ILE  35          2HD1      ILE  35  15.485  -2.747   1.330
  275   3HD1  ILE  35          3HD1      ILE  35  15.528  -2.166  -0.352
  276    H    GLY  36           H        GLY  36  20.180  -5.115  -0.690
  277   1HA   GLY  36          1HA       GLY  36  21.552  -6.784  -1.372
  278   2HA   GLY  36          2HA       GLY  36  20.042  -7.525  -1.865
  279    H    ARG  37           H        ARG  37  22.087  -7.064   1.107
  280    HA   ARG  37           HA       ARG  37  22.757  -8.478   2.607
  281   1HB   ARG  37          1HB       ARG  37  20.458  -8.138   3.450
  282   2HB   ARG  37          2HB       ARG  37  19.851  -9.415   2.415
  283   1HG   ARG  37          1HG       ARG  37  20.096 -10.586   4.419
  284   2HG   ARG  37          2HG       ARG  37  21.647 -10.916   3.673
  285   1HD   ARG  37          1HD       ARG  37  21.442  -8.420   5.346
  286   2HD   ARG  37          2HD       ARG  37  21.428  -9.952   6.198
  287    HE   ARG  37           HE       ARG  37  23.681  -8.802   4.689
  288   1HH1  ARG  37          1HH1      ARG  37  25.700  -9.859   4.865
  289   2HH1  ARG  37          2HH1      ARG  37  25.789 -11.444   5.559
  290   1HH2  ARG  37          1HH2      ARG  37  22.329 -11.691   6.174
  291   2HH2  ARG  37          2HH2      ARG  37  23.859 -12.493   6.308
  292    H    CYS  38           H        CYS  38  24.252  -9.666   1.229
  293    HA   CYS  38           HA       CYS  38  25.141 -11.488   0.390
  294   1HB   CYS  38          1HB       CYS  38  22.934 -12.686   2.013
  295   2HB   CYS  38          2HB       CYS  38  23.738 -13.724   0.852
  296    HG   CYS  38           HG       CYS  38  26.030 -13.705   1.753
  297    HA   PRO  39           HA       PRO  39  23.115 -11.935  -3.441
  298   1HB   PRO  39          1HB       PRO  39  24.578 -13.925  -4.609
  299   2HB   PRO  39          2HB       PRO  39  25.107 -12.256  -4.550
  300   1HG   PRO  39          1HG       PRO  39  26.059 -14.557  -2.958
  301   2HG   PRO  39          2HG       PRO  39  26.837 -13.010  -3.225
  302   1HD   PRO  39          1HD       PRO  39  25.453 -13.850  -0.857
  303   2HD   PRO  39          2HD       PRO  39  26.130 -12.264  -1.168
  304    H    ILE  40           H        ILE  40  21.009 -12.476  -2.991
  305    HA   ILE  40           HA       ILE  40  20.362 -15.073  -2.147
  306    HB   ILE  40           HB       ILE  40  18.743 -12.855  -3.392
  307   1HG1  ILE  40          1HG1      ILE  40  18.780 -13.805  -0.521
  308   2HG1  ILE  40          2HG1      ILE  40  19.854 -12.554  -1.112
  309   1HG2  ILE  40          1HG2      ILE  40  18.024 -15.595  -3.131
  310   2HG2  ILE  40          2HG2      ILE  40  17.113 -14.670  -1.913
  311   3HG2  ILE  40          3HG2      ILE  40  17.013 -14.218  -3.631
  312   1HD1  ILE  40          1HD1      ILE  40  17.535 -11.568  -2.099
  313   2HD1  ILE  40          2HD1      ILE  40  16.882 -12.481  -0.718
  314   3HD1  ILE  40          3HD1      ILE  40  18.096 -11.207  -0.448
  315    H    LEU  41           H        LEU  41  20.690 -13.521  -5.360
  316    HA   LEU  41           HA       LEU  41  19.459 -15.436  -6.899
  317   1HB   LEU  41          1HB       LEU  41  20.942 -13.131  -7.292
  318   2HB   LEU  41          2HB       LEU  41  21.909 -14.367  -8.071
  319    HG   LEU  41           HG       LEU  41  20.433 -13.327  -9.677
  320   1HD1  LEU  41          1HD1      LEU  41  20.902 -15.898  -9.604
  321   2HD1  LEU  41          2HD1      LEU  41  19.161 -16.011  -9.255
  322   3HD1  LEU  41          3HD1      LEU  41  19.719 -15.234 -10.756
  323   1HD2  LEU  41          1HD2      LEU  41  18.155 -14.197  -7.876
  324   2HD2  LEU  41          2HD2      LEU  41  18.685 -12.528  -8.196
  325   3HD2  LEU  41          3HD2      LEU  41  17.980 -13.505  -9.507
  326    H    ALA  42           H        ALA  42  23.022 -15.233  -6.182
  327    HA   ALA  42           HA       ALA  42  23.253 -17.917  -5.485
  328   1HB   ALA  42          1HB       ALA  42  24.562 -18.547  -7.670
  329   2HB   ALA  42          2HB       ALA  42  23.575 -17.268  -8.416
  330   3HB   ALA  42          3HB       ALA  42  22.787 -18.668  -7.651
  331    H    THR  43           H        THR  43  25.064 -15.571  -7.601
  332    HA   THR  43           HA       THR  43  26.882 -15.014  -5.433
  333    HB   THR  43           HB       THR  43  27.532 -16.869  -7.722
  334    HG1  THR  43           HG1      THR  43  27.342 -17.489  -5.429
  335   1HG2  THR  43          1HG2      THR  43  29.038 -14.770  -7.960
  336   2HG2  THR  43          2HG2      THR  43  29.651 -15.161  -6.335
  337   3HG2  THR  43          3HG2      THR  43  29.884 -16.310  -7.674
  338    H    GLN  44           H        GLN  44  26.580 -14.821  -9.048
  339    HA   GLN  44           HA       GLN  44  26.071 -12.109  -9.003
  340   1HB   GLN  44          1HB       GLN  44  28.198 -11.150  -9.763
  341   2HB   GLN  44          2HB       GLN  44  28.410 -11.903  -8.195
  342   1HG   GLN  44          1HG       GLN  44  28.986 -14.035  -9.828
  343   2HG   GLN  44          2HG       GLN  44  29.506 -12.715 -10.857
  344   1HE2  GLN  44          2HE2      GLN  44  31.376 -14.403 -10.068
  345   2HE2  GLN  44          1HE2      GLN  44  32.423 -13.735  -8.861
  346    H    GLY  45           H        GLY  45  24.600 -13.621 -10.382
  347   1HA   GLY  45          1HA       GLY  45  23.905 -14.379 -12.386
  348   2HA   GLY  45          2HA       GLY  45  25.578 -14.644 -12.837
  349    HA   PRO  46           HA       PRO  46  24.631 -11.300 -15.556
  350   1HB   PRO  46          1HB       PRO  46  22.202 -11.535 -16.787
  351   2HB   PRO  46          2HB       PRO  46  23.612 -12.458 -17.266
  352   1HG   PRO  46          1HG       PRO  46  21.237 -13.355 -15.752
  353   2HG   PRO  46          2HG       PRO  46  22.430 -14.322 -16.598
  354   1HD   PRO  46          1HD       PRO  46  22.239 -13.923 -13.763
  355   2HD   PRO  46          2HD       PRO  46  23.498 -14.794 -14.617
  356    H    THR  47           H        THR  47  24.545 -10.251 -13.233
  357    HA   THR  47           HA       THR  47  22.905  -7.994 -13.575
  358    HB   THR  47           HB       THR  47  21.000  -9.304 -12.948
  359    HG1  THR  47           HG1      THR  47  20.626  -7.936 -11.243
  360   1HG2  THR  47          1HG2      THR  47  22.995 -10.850 -11.425
  361   2HG2  THR  47          2HG2      THR  47  21.584 -10.428 -10.426
  362   3HG2  THR  47          3HG2      THR  47  21.361 -11.332 -11.943
  363    H    CYS  48           H        CYS  48  23.964  -6.352 -12.657
  364    HA   CYS  48           HA       CYS  48  25.815  -7.078 -10.507
  365   1HB   CYS  48          1HB       CYS  48  27.034  -4.961 -11.195
  366   2HB   CYS  48          2HB       CYS  48  27.104  -6.295 -12.329
  367    HG   CYS  48           HG       CYS  48  25.165  -3.616 -12.327
  368    H    SER  49           H        SER  49  23.308  -6.856  -9.576
  369    HA   SER  49           HA       SER  49  22.814  -4.078  -8.966
  370   1HB   SER  49          1HB       SER  49  21.232  -6.625  -8.854
  371   2HB   SER  49          2HB       SER  49  20.808  -5.385  -7.689
  372    HG   SER  49           HG       SER  49  21.168  -4.394 -10.288

  No H/Q in entry =         372
  Start of MODEL    7
    1    H    MET   1           H        MET   1 -31.089  31.687  -2.626
    2    HA   MET   1           HA       MET   1 -33.138  31.713  -4.370
    3   1HB   MET   1          1HB       MET   1 -33.036  34.278  -3.565
    4   2HB   MET   1          2HB       MET   1 -31.715  34.378  -4.712
    5   1HG   MET   1          1HG       MET   1 -34.008  32.968  -5.885
    6   2HG   MET   1          2HG       MET   1 -34.483  34.548  -5.294
    7   1HE   MET   1          1HE       MET   1 -33.150  36.480  -5.457
    8   2HE   MET   1          2HE       MET   1 -31.543  36.537  -6.221
    9   3HE   MET   1          3HE       MET   1 -32.976  37.091  -7.120
   10    H    VAL   2           H        VAL   2 -31.096  30.055  -4.263
   11    HA   VAL   2           HA       VAL   2 -29.801  30.395  -6.759
   12    HB   VAL   2           HB       VAL   2 -28.485  31.878  -5.158
   13   1HG1  VAL   2          1HG1      VAL   2 -28.606  30.059  -3.317
   14   2HG1  VAL   2          2HG1      VAL   2 -27.247  29.304  -4.185
   15   3HG1  VAL   2          3HG1      VAL   2 -27.080  30.952  -3.532
   16   1HG2  VAL   2          1HG2      VAL   2 -27.727  30.347  -7.335
   17   2HG2  VAL   2          2HG2      VAL   2 -26.772  31.652  -6.590
   18   3HG2  VAL   2          3HG2      VAL   2 -26.487  29.959  -6.118
   19    H    ALA   3           H        ALA   3 -28.625  28.421  -7.378
   20    HA   ALA   3           HA       ALA   3 -28.647  26.217  -5.550
   21   1HB   ALA   3          1HB       ALA   3 -30.154  25.240  -7.764
   22   2HB   ALA   3          2HB       ALA   3 -30.663  25.372  -6.064
   23   3HB   ALA   3          3HB       ALA   3 -30.964  26.717  -7.191
   24    H    ALA   4           H        ALA   4 -26.354  26.762  -6.230
   25    HA   ALA   4           HA       ALA   4 -25.463  24.890  -8.086
   26   1HB   ALA   4          1HB       ALA   4 -26.362  27.354  -9.269
   27   2HB   ALA   4          2HB       ALA   4 -25.613  25.947 -10.060
   28   3HB   ALA   4          3HB       ALA   4 -24.591  27.258  -9.425
   29    H    ALA   5           H        ALA   5 -24.384  24.664  -5.930
   30    HA   ALA   5           HA       ALA   5 -21.786  25.674  -6.034
   31   1HB   ALA   5          1HB       ALA   5 -21.742  27.290  -4.283
   32   2HB   ALA   5          2HB       ALA   5 -23.096  27.765  -5.336
   33   3HB   ALA   5          3HB       ALA   5 -23.416  26.924  -3.800
   34    H    MET   6           H        MET   6 -24.283  24.956  -3.483
   35    HA   MET   6           HA       MET   6 -24.368  23.440  -1.927
   36   1HB   MET   6          1HB       MET   6 -24.363  21.915  -3.953
   37   2HB   MET   6          2HB       MET   6 -22.618  21.792  -3.838
   38   1HG   MET   6          1HG       MET   6 -22.785  20.721  -1.624
   39   2HG   MET   6          2HG       MET   6 -24.518  20.978  -1.585
   40   1HE   MET   6          1HE       MET   6 -25.498  18.800  -1.385
   41   2HE   MET   6          2HE       MET   6 -24.981  17.311  -2.211
   42   3HE   MET   6          3HE       MET   6 -23.904  18.093  -1.030
   43    H    LEU   7           H        LEU   7 -23.005  24.934  -0.598
   44    HA   LEU   7           HA       LEU   7 -20.787  23.493   0.479
   45   1HB   LEU   7          1HB       LEU   7 -19.531  24.430  -1.262
   46   2HB   LEU   7          2HB       LEU   7 -20.340  25.980  -1.145
   47    HG   LEU   7           HG       LEU   7 -19.258  26.042   1.258
   48   1HD1  LEU   7          1HD1      LEU   7 -18.296  23.586   0.449
   49   2HD1  LEU   7          2HD1      LEU   7 -16.919  24.675   0.156
   50   3HD1  LEU   7          3HD1      LEU   7 -17.652  24.582   1.775
   51   1HD2  LEU   7          1HD2      LEU   7 -18.617  27.114  -1.257
   52   2HD2  LEU   7          2HD2      LEU   7 -18.108  27.705   0.343
   53   3HD2  LEU   7          3HD2      LEU   7 -17.074  26.569  -0.556
   54    H    LEU   8           H        LEU   8 -22.319  23.517   2.255
   55    HA   LEU   8           HA       LEU   8 -21.875  25.714   3.976
   56   1HB   LEU   8          1HB       LEU   8 -23.588  26.676   2.448
   57   2HB   LEU   8          2HB       LEU   8 -24.697  25.412   2.941
   58    HG   LEU   8           HG       LEU   8 -23.719  26.656   5.314
   59   1HD1  LEU   8          1HD1      LEU   8 -23.438  28.484   3.299
   60   2HD1  LEU   8          2HD1      LEU   8 -25.085  28.830   3.881
   61   3HD1  LEU   8          3HD1      LEU   8 -23.712  28.875   5.014
   62   1HD2  LEU   8          1HD2      LEU   8 -26.275  26.099   3.964
   63   2HD2  LEU   8          2HD2      LEU   8 -25.801  25.903   5.669
   64   3HD2  LEU   8          3HD2      LEU   8 -26.302  27.500   5.061
   65    H    ARG   9           H        ARG   9 -21.176  24.246   5.501
   66    HA   ARG   9           HA       ARG   9 -23.244  22.821   6.806
   67   1HB   ARG   9          1HB       ARG   9 -21.949  20.593   6.698
   68   2HB   ARG   9          2HB       ARG   9 -22.792  21.059   5.234
   69   1HG   ARG   9          1HG       ARG   9 -20.594  22.127   4.434
   70   2HG   ARG   9          2HG       ARG   9 -19.813  21.376   5.812
   71   1HD   ARG   9          1HD       ARG   9 -19.546  19.524   4.515
   72   2HD   ARG   9          2HD       ARG   9 -21.270  19.258   4.680
   73    HE   ARG   9           HE       ARG   9 -21.172  21.071   2.617
   74   1HH1  ARG   9          1HH1      ARG   9 -20.952  20.574   0.397
   75   2HH1  ARG   9          2HH1      ARG   9 -20.156  19.114  -0.089
   76   1HH2  ARG   9          1HH2      ARG   9 -19.481  18.040   3.197
   77   2HH2  ARG   9          2HH2      ARG   9 -19.314  17.663   1.515
   78    H    SER  10           H        SER  10 -19.694  23.328   6.326
   79    HA   SER  10           HA       SER  10 -18.069  23.739   7.703
   80   1HB   SER  10          1HB       SER  10 -20.074  25.319   8.641
   81   2HB   SER  10          2HB       SER  10 -19.804  24.343  10.072
   82    HG   SER  10           HG       SER  10 -17.534  24.947   9.989
   83    H    CYS  11           H        CYS  11 -18.545  21.086   7.449
   84    HA   CYS  11           HA       CYS  11 -18.029  20.119  10.147
   85   1HB   CYS  11          1HB       CYS  11 -19.459  18.163   9.830
   86   2HB   CYS  11          2HB       CYS  11 -20.399  19.640   9.752
   87    HG   CYS  11           HG       CYS  11 -20.122  19.818   7.042
   88    HA   PRO  12           HA       PRO  12 -14.893  18.037   7.952
   89   1HB   PRO  12          1HB       PRO  12 -14.253  16.023   9.685
   90   2HB   PRO  12          2HB       PRO  12 -13.679  17.668   9.873
   91   1HG   PRO  12          1HG       PRO  12 -15.789  16.256  11.387
   92   2HG   PRO  12          2HG       PRO  12 -14.917  17.714  11.818
   93   1HD   PRO  12          1HD       PRO  12 -17.602  17.551  10.822
   94   2HD   PRO  12          2HD       PRO  12 -16.690  19.013  11.143
   95    H    VAL  13           H        VAL  13 -14.097  15.881   7.058
   96    HA   VAL  13           HA       VAL  13 -16.344  14.067   6.718
   97    HB   VAL  13           HB       VAL  13 -15.489  14.166   4.169
   98   1HG1  VAL  13          1HG1      VAL  13 -17.715  15.528   5.637
   99   2HG1  VAL  13          2HG1      VAL  13 -17.483  15.898   3.912
  100   3HG1  VAL  13          3HG1      VAL  13 -17.771  14.220   4.431
  101   1HG2  VAL  13          1HG2      VAL  13 -14.103  16.276   5.072
  102   2HG2  VAL  13          2HG2      VAL  13 -14.770  16.199   3.423
  103   3HG2  VAL  13          3HG2      VAL  13 -15.635  17.098   4.692
  104    H    LEU  14           H        LEU  14 -12.916  14.897   5.887
  105    HA   LEU  14           HA       LEU  14 -11.068  13.690   5.978
  106   1HB   LEU  14          1HB       LEU  14 -12.820  12.302   7.887
  107   2HB   LEU  14          2HB       LEU  14 -11.533  11.307   7.236
  108    HG   LEU  14           HG       LEU  14 -11.132  13.988   8.593
  109   1HD1  LEU  14          1HD1      LEU  14 -11.928  11.775   9.886
  110   2HD1  LEU  14          2HD1      LEU  14 -10.174  11.474   9.850
  111   3HD1  LEU  14          3HD1      LEU  14 -10.806  12.966  10.586
  112   1HD2  LEU  14          1HD2      LEU  14  -9.456  12.807   6.799
  113   2HD2  LEU  14          2HD2      LEU  14  -8.942  13.888   8.116
  114   3HD2  LEU  14          3HD2      LEU  14  -8.865  12.122   8.332
  115    H    SER  15           H        SER  15 -12.256  13.706   3.593
  116    HA   SER  15           HA       SER  15 -12.868  11.069   2.732
  117   1HB   SER  15          1HB       SER  15 -12.401  13.649   1.172
  118   2HB   SER  15          2HB       SER  15 -12.977  12.156   0.459
  119    HG   SER  15           HG       SER  15 -14.944  12.424   1.345
  120    H    GLN  16           H        GLN  16 -10.537  10.548   3.809
  121    HA   GLN  16           HA       GLN  16  -8.571   9.695   3.448
  122   1HB   GLN  16          1HB       GLN  16  -9.700   9.759   0.723
  123   2HB   GLN  16          2HB       GLN  16  -7.949   9.812   0.724
  124   1HG   GLN  16          1HG       GLN  16  -7.960   7.815   2.309
  125   2HG   GLN  16          2HG       GLN  16  -9.697   7.722   2.102
  126   1HE2  GLN  16          2HE2      GLN  16 -10.527   6.689   0.421
  127   2HE2  GLN  16          1HE2      GLN  16  -9.646   6.049  -0.927
  128    H    GLY  17           H        GLY  17  -8.197  11.973   4.522
  129   1HA   GLY  17          1HA       GLY  17  -7.289  14.121   4.364
  130   2HA   GLY  17          2HA       GLY  17  -6.702  13.772   2.750
  131    HA   PRO  18           HA       PRO  18  -3.498  12.833   6.037
  132   1HB   PRO  18          1HB       PRO  18  -4.149  11.627   8.402
  133   2HB   PRO  18          2HB       PRO  18  -4.116  13.367   8.190
  134   1HG   PRO  18          1HG       PRO  18  -6.453  11.565   8.369
  135   2HG   PRO  18          2HG       PRO  18  -6.388  13.303   8.584
  136   1HD   PRO  18          1HD       PRO  18  -7.354  11.894   6.280
  137   2HD   PRO  18          2HD       PRO  18  -7.181  13.629   6.450
  138    H    THR  19           H        THR  19  -2.062  11.031   6.939
  139    HA   THR  19           HA       THR  19  -3.027   8.459   5.930
  140    HB   THR  19           HB       THR  19  -1.693   9.807   4.153
  141    HG1  THR  19           HG1      THR  19  -0.826   7.267   5.339
  142   1HG2  THR  19          1HG2      THR  19   0.098  10.600   5.812
  143   2HG2  THR  19          2HG2      THR  19   0.630   8.905   5.930
  144   3HG2  THR  19          3HG2      THR  19   0.738   9.766   4.376
  145    H    GLY  20           H        GLY  20  -0.442  10.287   7.670
  146   1HA   GLY  20          1HA       GLY  20   0.078   7.868   9.263
  147   2HA   GLY  20          2HA       GLY  20  -0.421   9.343  10.068
  148    H    LEU  21           H        LEU  21   1.884   8.456   7.387
  149    HA   LEU  21           HA       LEU  21   3.955   9.104   6.968
  150   1HB   LEU  21          1HB       LEU  21   3.501  11.347   8.938
  151   2HB   LEU  21          2HB       LEU  21   4.781  11.245   7.746
  152    HG   LEU  21           HG       LEU  21   2.306  10.976   6.355
  153   1HD1  LEU  21          1HD1      LEU  21   1.700  12.251   8.665
  154   2HD1  LEU  21          2HD1      LEU  21   2.183  13.632   7.651
  155   3HD1  LEU  21          3HD1      LEU  21   0.880  12.545   7.113
  156   1HD2  LEU  21          1HD2      LEU  21   4.727  12.121   5.934
  157   2HD2  LEU  21          2HD2      LEU  21   3.282  12.427   4.940
  158   3HD2  LEU  21          3HD2      LEU  21   3.729  13.563   6.236
  159    H    LEU  22           H        LEU  22   4.016   6.915   8.272
  160    HA   LEU  22           HA       LEU  22   6.245   7.165  10.027
  161   1HB   LEU  22          1HB       LEU  22   4.481   7.727  11.600
  162   2HB   LEU  22          2HB       LEU  22   3.597   6.274  11.177
  163    HG   LEU  22           HG       LEU  22   6.145   5.371  11.951
  164   1HD1  LEU  22          1HD1      LEU  22   5.200   7.663  13.669
  165   2HD1  LEU  22          2HD1      LEU  22   6.202   6.344  14.319
  166   3HD1  LEU  22          3HD1      LEU  22   6.818   7.358  12.993
  167   1HD2  LEU  22          1HD2      LEU  22   3.355   5.156  12.823
  168   2HD2  LEU  22          2HD2      LEU  22   4.619   3.911  12.681
  169   3HD2  LEU  22          3HD2      LEU  22   4.534   4.930  14.137
  170    H    GLY  23           H        GLY  23   3.480   4.912   9.303
  171   1HA   GLY  23          1HA       GLY  23   3.463   2.812   8.506
  172   2HA   GLY  23          2HA       GLY  23   5.010   2.578   9.296
  173    H    LYS  24           H        LYS  24   4.273   4.978   6.706
  174    HA   LYS  24           HA       LYS  24   5.350   3.378   4.632
  175   1HB   LYS  24          1HB       LYS  24   3.656   5.132   4.272
  176   2HB   LYS  24          2HB       LYS  24   4.808   6.360   4.755
  177   1HG   LYS  24          1HG       LYS  24   6.266   5.853   2.867
  178   2HG   LYS  24          2HG       LYS  24   5.342   4.421   2.462
  179   1HD   LYS  24          1HD       LYS  24   3.579   5.639   1.528
  180   2HD   LYS  24          2HD       LYS  24   3.849   7.032   2.557
  181   1HE   LYS  24          1HE       LYS  24   5.231   8.012   1.033
  182   2HE   LYS  24          2HE       LYS  24   6.175   6.549   0.835
  183    H    VAL  25           H        VAL  25   6.736   5.165   7.235
  184    HA   VAL  25           HA       VAL  25   9.248   5.492   5.771
  185    HB   VAL  25           HB       VAL  25   8.217   6.587   8.391
  186   1HG1  VAL  25          1HG1      VAL  25  10.964   6.808   7.131
  187   2HG1  VAL  25          2HG1      VAL  25  10.362   7.938   8.368
  188   3HG1  VAL  25          3HG1      VAL  25  10.542   6.210   8.754
  189   1HG2  VAL  25          1HG2      VAL  25   7.926   7.467   5.728
  190   2HG2  VAL  25          2HG2      VAL  25   7.542   8.361   7.218
  191   3HG2  VAL  25          3HG2      VAL  25   9.146   8.534   6.465
  192    H    ALA  26           H        ALA  26   7.635   3.759   8.441
  193    HA   ALA  26           HA       ALA  26  10.023   2.668   9.510
  194   1HB   ALA  26          1HB       ALA  26   7.834   0.988  10.122
  195   2HB   ALA  26          2HB       ALA  26   8.509   2.292  11.127
  196   3HB   ALA  26          3HB       ALA  26   7.164   2.633  10.012
  197    H    LYS  27           H        LYS  27   7.331   1.194   7.550
  198    HA   LYS  27           HA       LYS  27   8.497  -1.226   7.099
  199   1HB   LYS  27          1HB       LYS  27   6.471   0.451   5.711
  200   2HB   LYS  27          2HB       LYS  27   7.159  -0.864   4.779
  201   1HG   LYS  27          1HG       LYS  27   5.707  -2.249   5.840
  202   2HG   LYS  27          2HG       LYS  27   6.678  -2.039   7.284
  203   1HD   LYS  27          1HD       LYS  27   4.699  -1.275   8.172
  204   2HD   LYS  27          2HD       LYS  27   5.201   0.239   7.446
  205   1HE   LYS  27          1HE       LYS  27   3.915  -0.386   5.355
  206   2HE   LYS  27          2HE       LYS  27   3.350  -1.831   6.169
  207    H    THR  28           H        THR  28   8.820   1.767   5.069
  208    HA   THR  28           HA       THR  28  10.458   0.803   3.121
  209    HB   THR  28           HB       THR  28  10.083   3.453   4.529
  210    HG1  THR  28           HG1      THR  28   8.689   2.532   2.799
  211   1HG2  THR  28          1HG2      THR  28  12.417   2.677   2.816
  212   2HG2  THR  28          2HG2      THR  28  11.545   4.144   2.312
  213   3HG2  THR  28          3HG2      THR  28  12.249   4.044   3.944
  214    H    TYR  29           H        TYR  29  11.630   2.283   6.224
  215    HA   TYR  29           HA       TYR  29  14.304   1.629   5.755
  216   1HB   TYR  29          1HB       TYR  29  12.986   3.190   7.480
  217   2HB   TYR  29          2HB       TYR  29  12.865   1.744   8.462
  218    HD1  TYR  29           HD1      TYR  29  14.465   1.459  10.112
  219    HD2  TYR  29           HD2      TYR  29  15.513   3.641   6.584
  220    HE1  TYR  29           HE1      TYR  29  16.769   1.930  11.079
  221    HE2  TYR  29           HE2      TYR  29  17.813   4.105   7.563
  222    HH   TYR  29           HH       TYR  29  18.740   4.270   9.978
  223    H    GLN  30           H        GLN  30  11.657  -0.123   7.479
  224    HA   GLN  30           HA       GLN  30  13.155  -2.069   8.635
  225   1HB   GLN  30          1HB       GLN  30  10.624  -1.611   8.798
  226   2HB   GLN  30          2HB       GLN  30  10.445  -2.574   7.345
  227   1HG   GLN  30          1HG       GLN  30  12.022  -4.254   8.843
  228   2HG   GLN  30          2HG       GLN  30  11.143  -3.437  10.121
  229   1HE2  GLN  30          2HE2      GLN  30  10.751  -6.043   9.874
  230   2HE2  GLN  30          1HE2      GLN  30   9.200  -6.428   9.207
  231    H    PHE  31           H        PHE  31  12.587  -1.480   5.245
  232    HA   PHE  31           HA       PHE  31  13.559  -4.173   4.610
  233   1HB   PHE  31          1HB       PHE  31  11.311  -2.995   3.726
  234   2HB   PHE  31          2HB       PHE  31  12.400  -2.098   2.687
  235    HD1  PHE  31           HD1      PHE  31  12.918  -2.966   0.606
  236    HD2  PHE  31           HD2      PHE  31  11.610  -5.616   3.652
  237    HE1  PHE  31           HE1      PHE  31  12.895  -4.855  -1.047
  238    HE2  PHE  31           HE2      PHE  31  11.587  -7.505   1.999
  239    HZ   PHE  31           HZ       PHE  31  12.230  -7.101  -0.331
  240    H    LEU  32           H        LEU  32  13.917  -0.653   3.842
  241    HA   LEU  32           HA       LEU  32  15.988  -0.878   2.038
  242   1HB   LEU  32          1HB       LEU  32  14.665   1.167   3.550
  243   2HB   LEU  32          2HB       LEU  32  16.394   1.450   3.599
  244    HG   LEU  32           HG       LEU  32  15.299   2.653   1.762
  245   1HD1  LEU  32          1HD1      LEU  32  17.667   1.273   1.667
  246   2HD1  LEU  32          2HD1      LEU  32  16.858   0.737   0.174
  247   3HD1  LEU  32          3HD1      LEU  32  17.118   2.473   0.472
  248   1HD2  LEU  32          1HD2      LEU  32  14.366  -0.098   1.009
  249   2HD2  LEU  32          2HD2      LEU  32  13.467   1.438   1.067
  250   3HD2  LEU  32          3HD2      LEU  32  14.623   1.132  -0.252
  251    H    PHE  33           H        PHE  33  15.980  -1.020   5.614
  252    HA   PHE  33           HA       PHE  33  18.557  -0.628   6.240
  253   1HB   PHE  33          1HB       PHE  33  16.551  -1.370   7.683
  254   2HB   PHE  33          2HB       PHE  33  16.795  -3.003   7.094
  255    HD1  PHE  33           HD1      PHE  33  18.344  -4.432   8.131
  256    HD2  PHE  33           HD2      PHE  33  18.432  -0.282   9.011
  257    HE1  PHE  33           HE1      PHE  33  19.970  -4.861   9.994
  258    HE2  PHE  33           HE2      PHE  33  20.058  -0.711  10.874
  259    HZ   PHE  33           HZ       PHE  33  20.808  -2.996  11.343
  260    H    SER  34           H        SER  34  17.194  -3.844   5.209
  261    HA   SER  34           HA       SER  34  19.789  -4.397   4.050
  262   1HB   SER  34          1HB       SER  34  19.873  -6.642   5.047
  263   2HB   SER  34          2HB       SER  34  19.822  -5.424   6.307
  264    HG   SER  34           HG       SER  34  17.929  -7.392   5.626
  265    H    ILE  35           H        ILE  35  18.649  -4.012   2.016
  266    HA   ILE  35           HA       ILE  35  16.273  -5.321   1.347
  267    HB   ILE  35           HB       ILE  35  18.490  -4.182  -0.355
  268   1HG1  ILE  35          1HG1      ILE  35  17.304  -2.633   1.235
  269   2HG1  ILE  35          2HG1      ILE  35  17.212  -2.190  -0.458
  270   1HG2  ILE  35          1HG2      ILE  35  15.738  -5.176  -1.122
  271   2HG2  ILE  35          2HG2      ILE  35  16.715  -4.087  -2.135
  272   3HG2  ILE  35          3HG2      ILE  35  17.316  -5.716  -1.743
  273   1HD1  ILE  35          1HD1      ILE  35  15.009  -3.981   0.336
  274   2HD1  ILE  35          2HD1      ILE  35  15.040  -2.468   1.274
  275   3HD1  ILE  35          3HD1      ILE  35  14.949  -2.411  -0.502
  276    H    GLY  36           H        GLY  36  19.083  -6.004  -0.713
  277   1HA   GLY  36          1HA       GLY  36  18.457  -8.857  -0.501
  278   2HA   GLY  36          2HA       GLY  36  20.082  -8.346  -0.093
  279    H    ARG  37           H        ARG  37  21.539  -8.466  -1.737
  280    HA   ARG  37           HA       ARG  37  20.544  -8.769  -4.380
  281   1HB   ARG  37          1HB       ARG  37  21.977  -6.895  -5.318
  282   2HB   ARG  37          2HB       ARG  37  20.619  -6.333  -4.364
  283   1HG   ARG  37          1HG       ARG  37  21.965  -5.441  -2.736
  284   2HG   ARG  37          2HG       ARG  37  23.053  -6.814  -2.743
  285   1HD   ARG  37          1HD       ARG  37  24.540  -5.416  -3.770
  286   2HD   ARG  37          2HD       ARG  37  23.590  -5.678  -5.219
  287    HE   ARG  37           HE       ARG  37  22.324  -3.606  -3.728
  288   1HH1  ARG  37          1HH1      ARG  37  22.602  -1.406  -4.283
  289   2HH1  ARG  37          2HH1      ARG  37  23.972  -0.917  -5.223
  290   1HH2  ARG  37          1HH2      ARG  37  25.313  -4.163  -5.500
  291   2HH2  ARG  37          2HH2      ARG  37  25.524  -2.496  -5.921
  292    H    CYS  38           H        CYS  38  21.629 -10.863  -3.732
  293    HA   CYS  38           HA       CYS  38  24.487 -10.744  -3.427
  294   1HB   CYS  38          1HB       CYS  38  22.486 -13.016  -3.428
  295   2HB   CYS  38          2HB       CYS  38  24.216 -13.294  -3.395
  296    HG   CYS  38           HG       CYS  38  24.611 -12.863  -1.098
  297    HA   PRO  39           HA       PRO  39  25.267 -11.401  -7.663
  298   1HB   PRO  39          1HB       PRO  39  27.750 -12.541  -7.593
  299   2HB   PRO  39          2HB       PRO  39  27.482 -10.817  -7.429
  300   1HG   PRO  39          1HG       PRO  39  28.174 -12.792  -5.341
  301   2HG   PRO  39          2HG       PRO  39  28.318 -11.046  -5.292
  302   1HD   PRO  39          1HD       PRO  39  26.295 -12.638  -4.026
  303   2HD   PRO  39          2HD       PRO  39  26.374 -10.888  -4.074
  304    H    ILE  40           H        ILE  40  23.500 -12.786  -8.105
  305    HA   ILE  40           HA       ILE  40  24.087 -15.603  -7.821
  306    HB   ILE  40           HB       ILE  40  21.867 -14.450  -7.323
  307   1HG1  ILE  40          1HG1      ILE  40  21.436 -16.749  -9.189
  308   2HG1  ILE  40          2HG1      ILE  40  22.473 -16.998  -7.798
  309   1HG2  ILE  40          1HG2      ILE  40  22.123 -13.719 -10.058
  310   2HG2  ILE  40          2HG2      ILE  40  20.740 -14.832  -9.919
  311   3HG2  ILE  40          3HG2      ILE  40  20.799 -13.356  -8.925
  312   1HD1  ILE  40          1HD1      ILE  40  19.773 -15.662  -7.449
  313   2HD1  ILE  40          2HD1      ILE  40  19.901 -17.435  -7.544
  314   3HD1  ILE  40          3HD1      ILE  40  20.743 -16.550  -6.250
  315    H    LEU  41           H        LEU  41  25.321 -13.410  -9.818
  316    HA   LEU  41           HA       LEU  41  26.271 -13.516 -11.810
  317   1HB   LEU  41          1HB       LEU  41  25.866 -16.300 -11.116
  318   2HB   LEU  41          2HB       LEU  41  25.776 -16.062 -12.850
  319    HG   LEU  41           HG       LEU  41  28.023 -14.594 -12.124
  320   1HD1  LEU  41          1HD1      LEU  41  27.523 -16.335  -9.977
  321   2HD1  LEU  41          2HD1      LEU  41  28.845 -17.079 -10.907
  322   3HD1  LEU  41          3HD1      LEU  41  29.006 -15.410 -10.310
  323   1HD2  LEU  41          1HD2      LEU  41  27.635 -16.075 -14.110
  324   2HD2  LEU  41          2HD2      LEU  41  29.248 -16.219 -13.372
  325   3HD2  LEU  41          3HD2      LEU  41  28.017 -17.469 -13.071
  326    H    ALA  42           H        ALA  42  23.907 -12.229 -11.712
  327    HA   ALA  42           HA       ALA  42  22.921 -12.640 -14.368
  328   1HB   ALA  42          1HB       ALA  42  21.543 -14.294 -13.268
  329   2HB   ALA  42          2HB       ALA  42  21.150 -13.164 -11.950
  330   3HB   ALA  42          3HB       ALA  42  20.530 -12.867 -13.592
  331    H    THR  43           H        THR  43  21.989 -11.155 -11.176
  332    HA   THR  43           HA       THR  43  21.124  -8.747 -12.386
  333    HB   THR  43           HB       THR  43  20.281  -9.578 -10.207
  334    HG1  THR  43           HG1      THR  43  20.169  -7.368 -10.025
  335   1HG2  THR  43          1HG2      THR  43  22.788 -10.369  -9.567
  336   2HG2  THR  43          2HG2      THR  43  22.850  -8.734  -8.867
  337   3HG2  THR  43          3HG2      THR  43  21.619  -9.893  -8.312
  338    H    GLN  44           H        GLN  44  24.197  -9.741 -10.777
  339    HA   GLN  44           HA       GLN  44  25.282  -7.195 -11.680
  340   1HB   GLN  44          1HB       GLN  44  25.387  -8.150  -9.184
  341   2HB   GLN  44          2HB       GLN  44  26.768  -9.032  -9.805
  342   1HG   GLN  44          1HG       GLN  44  27.688  -6.996  -8.970
  343   2HG   GLN  44          2HG       GLN  44  27.642  -6.775 -10.708
  344   1HE2  GLN  44          2HE2      GLN  44  26.177  -5.387 -11.649
  345   2HE2  GLN  44          1HE2      GLN  44  25.277  -4.201 -10.764
  346    H    GLY  45           H        GLY  45  26.213 -10.698 -11.324
  347   1HA   GLY  45          1HA       GLY  45  27.216 -12.065 -12.834
  348   2HA   GLY  45          2HA       GLY  45  28.490 -10.867 -12.713
  349    HA   PRO  46           HA       PRO  46  27.791  -9.730 -16.839
  350   1HB   PRO  46          1HB       PRO  46  29.678 -11.204 -18.157
  351   2HB   PRO  46          2HB       PRO  46  30.046  -9.718 -17.304
  352   1HG   PRO  46          1HG       PRO  46  30.612 -12.506 -16.500
  353   2HG   PRO  46          2HG       PRO  46  31.326 -11.024 -15.898
  354   1HD   PRO  46          1HD       PRO  46  29.336 -12.624 -14.591
  355   2HD   PRO  46          2HD       PRO  46  29.967 -11.082 -14.045
  356    H    THR  47           H        THR  47  25.907 -10.109 -17.815
  357    HA   THR  47           HA       THR  47  25.704 -12.589 -19.250
  358    HB   THR  47           HB       THR  47  24.042 -12.001 -16.760
  359    HG1  THR  47           HG1      THR  47  24.773 -14.245 -16.443
  360   1HG2  THR  47          1HG2      THR  47  22.762 -12.766 -19.035
  361   2HG2  THR  47          2HG2      THR  47  23.428 -14.344 -18.549
  362   3HG2  THR  47          3HG2      THR  47  22.350 -13.455 -17.446
  363    H    CYS  48           H        CYS  48  23.634  -9.911 -17.933
  364    HA   CYS  48           HA       CYS  48  22.227  -8.557 -18.938
  365   1HB   CYS  48          1HB       CYS  48  24.638  -8.222 -20.229
  366   2HB   CYS  48          2HB       CYS  48  23.545  -8.485 -21.574
  367    HG   CYS  48           HG       CYS  48  22.993  -6.464 -19.008
  368    H    SER  49           H        SER  49  20.617 -10.356 -18.878
  369    HA   SER  49           HA       SER  49  19.250 -11.833 -19.738
  370   1HB   SER  49          1HB       SER  49  19.343  -9.776 -21.983
  371   2HB   SER  49          2HB       SER  49  18.160 -11.067 -21.931
  372    HG   SER  49           HG       SER  49  17.041 -10.005 -20.443

  No H/Q in entry =         372
  Start of MODEL    8
    1    H    MET   1           H        MET   1  -2.228  36.506  21.289
    2    HA   MET   1           HA       MET   1  -3.369  34.584  21.093
    3   1HB   MET   1          1HB       MET   1  -4.805  37.012  20.442
    4   2HB   MET   1          2HB       MET   1  -5.505  35.728  19.477
    5   1HG   MET   1          1HG       MET   1  -5.062  35.533  22.495
    6   2HG   MET   1          2HG       MET   1  -6.579  36.016  21.763
    7   1HE   MET   1          1HE       MET   1  -7.880  34.908  20.324
    8   2HE   MET   1          2HE       MET   1  -7.212  33.642  19.267
    9   3HE   MET   1          3HE       MET   1  -8.311  33.203  20.597
   10    H    VAL   2           H        VAL   2  -2.121  33.168  19.745
   11    HA   VAL   2           HA       VAL   2  -2.376  33.326  16.905
   12    HB   VAL   2           HB       VAL   2  -0.366  32.551  18.163
   13   1HG1  VAL   2          1HG1      VAL   2  -1.795  31.157  19.793
   14   2HG1  VAL   2          2HG1      VAL   2  -1.790  29.911  18.522
   15   3HG1  VAL   2          3HG1      VAL   2  -0.255  30.463  19.233
   16   1HG2  VAL   2          1HG2      VAL   2  -1.584  31.391  15.803
   17   2HG2  VAL   2          2HG2      VAL   2   0.123  31.778  16.127
   18   3HG2  VAL   2          3HG2      VAL   2  -0.542  30.204  16.625
   19    H    ALA   3           H        ALA   3  -3.474  31.845  15.511
   20    HA   ALA   3           HA       ALA   3  -5.944  30.921  16.630
   21   1HB   ALA   3          1HB       ALA   3  -6.526  30.470  14.328
   22   2HB   ALA   3          2HB       ALA   3  -5.658  32.023  14.376
   23   3HB   ALA   3          3HB       ALA   3  -4.820  30.552  13.827
   24    H    ALA   4           H        ALA   4  -5.721  28.647  14.434
   25    HA   ALA   4           HA       ALA   4  -4.271  26.768  16.170
   26   1HB   ALA   4          1HB       ALA   4  -7.008  26.630  14.908
   27   2HB   ALA   4          2HB       ALA   4  -6.503  26.203  16.560
   28   3HB   ALA   4          3HB       ALA   4  -6.088  25.134  15.198
   29    H    ALA   5           H        ALA   5  -5.769  27.043  12.862
   30    HA   ALA   5           HA       ALA   5  -3.317  26.824  11.532
   31   1HB   ALA   5          1HB       ALA   5  -4.111  24.384  12.620
   32   2HB   ALA   5          2HB       ALA   5  -2.969  24.610  11.273
   33   3HB   ALA   5          3HB       ALA   5  -4.689  24.299  10.938
   34    H    MET   6           H        MET   6  -6.741  25.610  11.294
   35    HA   MET   6           HA       MET   6  -6.996  26.243   8.616
   36   1HB   MET   6          1HB       MET   6  -8.620  25.259  10.813
   37   2HB   MET   6          2HB       MET   6  -9.540  26.505   9.993
   38   1HG   MET   6          1HG       MET   6 -10.073  24.977   8.398
   39   2HG   MET   6          2HG       MET   6  -8.394  24.982   7.896
   40   1HE   MET   6          1HE       MET   6  -8.808  22.993   6.956
   41   2HE   MET   6          2HE       MET   6  -7.848  21.707   7.727
   42   3HE   MET   6          3HE       MET   6  -9.623  21.588   7.684
   43    H    LEU   7           H        LEU   7  -8.004  28.080  11.582
   44    HA   LEU   7           HA       LEU   7  -8.006  30.310  11.870
   45   1HB   LEU   7          1HB       LEU   7  -6.466  30.264   9.721
   46   2HB   LEU   7          2HB       LEU   7  -7.896  30.921   8.950
   47    HG   LEU   7           HG       LEU   7  -7.428  32.382  11.374
   48   1HD1  LEU   7          1HD1      LEU   7  -5.062  31.413  10.873
   49   2HD1  LEU   7          2HD1      LEU   7  -5.042  32.621   9.566
   50   3HD1  LEU   7          3HD1      LEU   7  -5.249  33.141  11.256
   51   1HD2  LEU   7          1HD2      LEU   7  -7.794  32.867   8.490
   52   2HD2  LEU   7          2HD2      LEU   7  -8.499  33.693   9.900
   53   3HD2  LEU   7          3HD2      LEU   7  -6.859  34.113   9.351
   54    H    LEU   8           H        LEU   8  -9.776  29.013   9.000
   55    HA   LEU   8           HA       LEU   8 -12.255  29.709  10.240
   56   1HB   LEU   8          1HB       LEU   8 -11.171  31.326   7.968
   57   2HB   LEU   8          2HB       LEU   8 -12.892  31.005   8.048
   58    HG   LEU   8           HG       LEU   8 -12.396  31.876  10.600
   59   1HD1  LEU   8          1HD1      LEU   8 -10.017  32.426   9.512
   60   2HD1  LEU   8          2HD1      LEU   8 -10.883  33.908   9.041
   61   3HD1  LEU   8          3HD1      LEU   8 -10.771  33.451  10.757
   62   1HD2  LEU   8          1HD2      LEU   8 -14.017  32.578   8.558
   63   2HD2  LEU   8          2HD2      LEU   8 -13.873  33.498  10.076
   64   3HD2  LEU   8          3HD2      LEU   8 -12.968  34.015   8.633
   65    H    ARG   9           H        ARG   9 -12.194  29.717   6.754
   66    HA   ARG   9           HA       ARG   9 -12.288  26.862   6.613
   67   1HB   ARG   9          1HB       ARG   9 -14.725  28.615   6.373
   68   2HB   ARG   9          2HB       ARG   9 -14.588  27.303   5.220
   69   1HG   ARG   9          1HG       ARG   9 -13.908  26.350   7.896
   70   2HG   ARG   9          2HG       ARG   9 -15.470  27.143   7.925
   71   1HD   ARG   9          1HD       ARG   9 -15.217  25.433   5.552
   72   2HD   ARG   9          2HD       ARG   9 -14.917  24.516   7.014
   73    HE   ARG   9           HE       ARG   9 -17.164  25.868   7.732
   74   1HH1  ARG   9          1HH1      ARG   9 -19.333  25.296   7.301
   75   2HH1  ARG   9          2HH1      ARG   9 -19.719  24.359   5.895
   76   1HH2  ARG   9          1HH2      ARG   9 -16.387  24.120   4.779
   77   2HH2  ARG   9          2HH2      ARG   9 -18.031  23.686   4.451
   78    H    SER  10           H        SER  10 -10.513  28.922   5.574
   79    HA   SER  10           HA       SER  10 -10.631  28.194   2.842
   80   1HB   SER  10          1HB       SER  10 -11.198  31.064   3.665
   81   2HB   SER  10          2HB       SER  10 -10.509  30.686   2.098
   82    HG   SER  10           HG       SER  10 -13.121  30.476   2.946
   83    H    CYS  11           H        CYS  11  -8.823  27.747   5.029
   84    HA   CYS  11           HA       CYS  11  -6.461  28.897   3.861
   85   1HB   CYS  11          1HB       CYS  11  -7.529  30.281   6.001
   86   2HB   CYS  11          2HB       CYS  11  -6.378  29.219   6.787
   87    HG   CYS  11           HG       CYS  11  -4.890  31.152   6.461
   88    HA   PRO  12           HA       PRO  12  -6.181  24.612   5.323
   89   1HB   PRO  12          1HB       PRO  12  -5.241  23.510   3.006
   90   2HB   PRO  12          2HB       PRO  12  -6.943  23.563   3.421
   91   1HG   PRO  12          1HG       PRO  12  -5.461  25.208   1.463
   92   2HG   PRO  12          2HG       PRO  12  -7.189  24.945   1.591
   93   1HD   PRO  12          1HD       PRO  12  -5.745  27.284   2.410
   94   2HD   PRO  12          2HD       PRO  12  -7.453  26.972   2.644
   95    H    VAL  13           H        VAL  13  -4.468  23.488   6.210
   96    HA   VAL  13           HA       VAL  13  -1.847  24.376   5.321
   97    HB   VAL  13           HB       VAL  13  -2.909  24.695   8.132
   98   1HG1  VAL  13          1HG1      VAL  13  -0.351  23.844   7.460
   99   2HG1  VAL  13          2HG1      VAL  13  -0.168  25.602   7.671
  100   3HG1  VAL  13          3HG1      VAL  13  -0.841  24.614   8.989
  101   1HG2  VAL  13          1HG2      VAL  13  -3.398  26.525   6.502
  102   2HG2  VAL  13          2HG2      VAL  13  -2.375  27.034   7.867
  103   3HG2  VAL  13          3HG2      VAL  13  -1.645  26.733   6.271
  104    H    LEU  14           H        LEU  14  -3.771  22.367   7.648
  105    HA   LEU  14           HA       LEU  14  -3.601  20.245   8.229
  106   1HB   LEU  14          1HB       LEU  14  -2.441  20.257   5.509
  107   2HB   LEU  14          2HB       LEU  14  -2.057  18.858   6.493
  108    HG   LEU  14           HG       LEU  14  -4.029  18.525   5.045
  109   1HD1  LEU  14          1HD1      LEU  14  -4.341  18.371   8.037
  110   2HD1  LEU  14          2HD1      LEU  14  -5.609  17.781   6.936
  111   3HD1  LEU  14          3HD1      LEU  14  -3.976  17.076   6.872
  112   1HD2  LEU  14          1HD2      LEU  14  -4.851  21.055   6.253
  113   2HD2  LEU  14          2HD2      LEU  14  -5.398  20.262   4.756
  114   3HD2  LEU  14          3HD2      LEU  14  -6.119  19.808   6.319
  115    H    SER  15           H        SER  15  -1.951  22.098   9.518
  116    HA   SER  15           HA       SER  15  -0.366  22.044  11.018
  117   1HB   SER  15          1HB       SER  15   0.997  19.521  10.282
  118   2HB   SER  15          2HB       SER  15   0.388  20.049  11.839
  119    HG   SER  15           HG       SER  15  -1.837  19.633  10.671
  120    H    GLN  16           H        GLN  16   0.847  20.350   8.027
  121    HA   GLN  16           HA       GLN  16   2.514  22.585   7.461
  122   1HB   GLN  16          1HB       GLN  16   4.538  20.806   7.306
  123   2HB   GLN  16          2HB       GLN  16   4.241  21.772   8.738
  124   1HG   GLN  16          1HG       GLN  16   3.343  19.982   9.942
  125   2HG   GLN  16          2HG       GLN  16   2.745  19.170   8.508
  126   1HE2  GLN  16          2HE2      GLN  16   4.291  18.106  10.702
  127   2HE2  GLN  16          1HE2      GLN  16   5.759  17.453  10.054
  128    H    GLY  17           H        GLY  17   1.737  19.109   6.832
  129   1HA   GLY  17          1HA       GLY  17   2.523  19.201   4.088
  130   2HA   GLY  17          2HA       GLY  17   0.797  19.442   4.271
  131    HA   PRO  18           HA       PRO  18   2.100  14.964   4.989
  132   1HB   PRO  18          1HB       PRO  18   4.003  14.316   6.840
  133   2HB   PRO  18          2HB       PRO  18   4.363  14.567   5.144
  134   1HG   PRO  18          1HG       PRO  18   4.902  16.352   7.437
  135   2HG   PRO  18          2HG       PRO  18   5.613  16.378   5.835
  136   1HD   PRO  18          1HD       PRO  18   3.594  18.147   6.845
  137   2HD   PRO  18          2HD       PRO  18   4.221  18.097   5.209
  138    H    THR  19           H        THR  19   2.219  16.764   7.990
  139    HA   THR  19           HA       THR  19   0.793  16.706   9.716
  140    HB   THR  19           HB       THR  19  -0.704  14.369   8.466
  141    HG1  THR  19           HG1      THR  19  -0.880  15.748   6.740
  142   1HG2  THR  19          1HG2      THR  19  -1.250  15.834  10.716
  143   2HG2  THR  19          2HG2      THR  19  -2.006  16.874   9.485
  144   3HG2  THR  19          3HG2      THR  19  -2.525  15.180   9.661
  145    H    GLY  20           H        GLY  20   1.495  13.356   8.517
  146   1HA   GLY  20          1HA       GLY  20   1.500  11.704  10.444
  147   2HA   GLY  20          2HA       GLY  20   2.641  12.810  11.182
  148    H    LEU  21           H        LEU  21   2.107  10.448   8.585
  149    HA   LEU  21           HA       LEU  21   3.478   9.378   7.221
  150   1HB   LEU  21          1HB       LEU  21   4.595  12.057   7.299
  151   2HB   LEU  21          2HB       LEU  21   5.838  10.850   7.034
  152    HG   LEU  21           HG       LEU  21   4.151   9.950   5.209
  153   1HD1  LEU  21          1HD1      LEU  21   3.136  12.690   5.834
  154   2HD1  LEU  21          2HD1      LEU  21   3.165  12.157   4.136
  155   3HD1  LEU  21          3HD1      LEU  21   2.257  11.221   5.347
  156   1HD2  LEU  21          1HD2      LEU  21   5.981  12.342   4.932
  157   2HD2  LEU  21          2HD2      LEU  21   6.350  10.627   4.628
  158   3HD2  LEU  21          3HD2      LEU  21   5.241  11.504   3.547
  159    H    LEU  22           H        LEU  22   3.340   8.234   9.554
  160    HA   LEU  22           HA       LEU  22   6.111   7.525  10.130
  161   1HB   LEU  22          1HB       LEU  22   4.863   9.226  11.782
  162   2HB   LEU  22          2HB       LEU  22   4.263   7.719  12.445
  163    HG   LEU  22           HG       LEU  22   7.173   8.508  12.141
  164   1HD1  LEU  22          1HD1      LEU  22   5.634   9.560  13.966
  165   2HD1  LEU  22          2HD1      LEU  22   5.794   7.971  14.752
  166   3HD1  LEU  22          3HD1      LEU  22   7.245   8.942  14.406
  167   1HD2  LEU  22          1HD2      LEU  22   5.933   5.901  12.470
  168   2HD2  LEU  22          2HD2      LEU  22   7.630   6.332  12.151
  169   3HD2  LEU  22          3HD2      LEU  22   7.020   6.294  13.823
  170    H    GLY  23           H        GLY  23   5.468   5.760   8.637
  171   1HA   GLY  23          1HA       GLY  23   3.341   4.003   9.282
  172   2HA   GLY  23          2HA       GLY  23   4.835   3.418   9.987
  173    H    LYS  24           H        LYS  24   4.074   5.138   6.871
  174    HA   LYS  24           HA       LYS  24   4.636   2.811   5.334
  175   1HB   LYS  24          1HB       LYS  24   2.999   4.554   4.676
  176   2HB   LYS  24          2HB       LYS  24   4.307   5.701   4.475
  177   1HG   LYS  24          1HG       LYS  24   4.827   3.172   3.048
  178   2HG   LYS  24          2HG       LYS  24   3.337   3.930   2.520
  179   1HD   LYS  24          1HD       LYS  24   4.469   5.982   1.927
  180   2HD   LYS  24          2HD       LYS  24   5.928   5.511   2.775
  181   1HE   LYS  24          1HE       LYS  24   6.547   4.991   0.587
  182   2HE   LYS  24          2HE       LYS  24   5.897   3.444   1.093
  183    H    VAL  25           H        VAL  25   6.533   5.304   6.841
  184    HA   VAL  25           HA       VAL  25   8.741   4.923   4.994
  185    HB   VAL  25           HB       VAL  25   8.263   6.700   7.386
  186   1HG1  VAL  25          1HG1      VAL  25  10.794   5.948   6.054
  187   2HG1  VAL  25          2HG1      VAL  25  10.530   7.699   6.243
  188   3HG1  VAL  25          3HG1      VAL  25  10.502   6.635   7.670
  189   1HG2  VAL  25          1HG2      VAL  25   8.414   7.143   4.398
  190   2HG2  VAL  25          2HG2      VAL  25   7.097   7.554   5.524
  191   3HG2  VAL  25          3HG2      VAL  25   8.621   8.473   5.562
  192    H    ALA  26           H        ALA  26   7.419   3.553   7.877
  193    HA   ALA  26           HA       ALA  26   9.873   2.797   9.091
  194   1HB   ALA  26          1HB       ALA  26   8.501   1.674  10.641
  195   2HB   ALA  26          2HB       ALA  26   7.213   1.398   9.444
  196   3HB   ALA  26          3HB       ALA  26   7.486   3.031  10.097
  197    H    LYS  27           H        LYS  27   7.364   0.984   7.178
  198    HA   LYS  27           HA       LYS  27   8.706  -1.405   7.046
  199   1HB   LYS  27          1HB       LYS  27   6.565  -0.051   5.513
  200   2HB   LYS  27          2HB       LYS  27   7.395  -1.334   4.658
  201   1HG   LYS  27          1HG       LYS  27   6.525  -2.974   6.004
  202   2HG   LYS  27          2HG       LYS  27   6.755  -2.036   7.466
  203   1HD   LYS  27          1HD       LYS  27   4.738  -0.633   6.089
  204   2HD   LYS  27          2HD       LYS  27   4.350  -2.315   5.787
  205   1HE   LYS  27          1HE       LYS  27   4.421  -2.791   8.230
  206   2HE   LYS  27          2HE       LYS  27   4.873  -1.130   8.556
  207    H    THR  28           H        THR  28   8.821   1.343   4.672
  208    HA   THR  28           HA       THR  28  10.555   0.343   2.860
  209    HB   THR  28           HB       THR  28  10.255   3.121   4.092
  210    HG1  THR  28           HG1      THR  28   8.531   2.037   2.799
  211   1HG2  THR  28          1HG2      THR  28  12.543   2.643   2.832
  212   2HG2  THR  28          2HG2      THR  28  11.513   2.569   1.382
  213   3HG2  THR  28          3HG2      THR  28  11.574   4.058   2.355
  214    H    TYR  29           H        TYR  29  11.631   2.154   5.820
  215    HA   TYR  29           HA       TYR  29  14.330   1.658   5.446
  216   1HB   TYR  29          1HB       TYR  29  12.366   2.386   7.613
  217   2HB   TYR  29          2HB       TYR  29  13.884   1.747   8.212
  218    HD1  TYR  29           HD1      TYR  29  16.008   2.833   6.776
  219    HD2  TYR  29           HD2      TYR  29  12.244   4.693   7.596
  220    HE1  TYR  29           HE1      TYR  29  17.073   5.126   6.504
  221    HE2  TYR  29           HE2      TYR  29  13.321   6.979   7.321
  222    HH   TYR  29           HH       TYR  29  15.378   8.015   7.376
  223    H    GLN  30           H        GLN  30  11.831  -0.231   7.259
  224    HA   GLN  30           HA       GLN  30  13.536  -2.035   8.401
  225   1HB   GLN  30          1HB       GLN  30  10.793  -1.648   8.298
  226   2HB   GLN  30          2HB       GLN  30  10.965  -3.177   7.459
  227   1HG   GLN  30          1HG       GLN  30  12.665  -3.573   9.597
  228   2HG   GLN  30          2HG       GLN  30  11.469  -2.519  10.325
  229   1HE2  GLN  30          2HE2      GLN  30  12.278  -5.634   9.763
  230   2HE2  GLN  30          1HE2      GLN  30  10.735  -6.415   9.852
  231    H    PHE  31           H        PHE  31  12.760  -1.563   5.055
  232    HA   PHE  31           HA       PHE  31  13.731  -4.255   4.419
  233   1HB   PHE  31          1HB       PHE  31  11.441  -3.141   3.613
  234   2HB   PHE  31          2HB       PHE  31  12.460  -2.194   2.546
  235    HD1  PHE  31           HD1      PHE  31  10.785  -5.312   3.018
  236    HD2  PHE  31           HD2      PHE  31  13.955  -3.449   0.900
  237    HE1  PHE  31           HE1      PHE  31  10.757  -7.176   1.336
  238    HE2  PHE  31           HE2      PHE  31  13.927  -5.313  -0.782
  239    HZ   PHE  31           HZ       PHE  31  12.328  -7.154  -0.543
  240    H    LEU  32           H        LEU  32  14.491  -0.849   4.396
  241    HA   LEU  32           HA       LEU  32  16.615  -1.310   2.433
  242   1HB   LEU  32          1HB       LEU  32  15.079   1.085   3.339
  243   2HB   LEU  32          2HB       LEU  32  16.719   1.308   2.764
  244    HG   LEU  32           HG       LEU  32  16.102   0.210   0.623
  245   1HD1  LEU  32          1HD1      LEU  32  14.271  -1.192   1.445
  246   2HD1  LEU  32          2HD1      LEU  32  13.280   0.260   1.727
  247   3HD1  LEU  32          3HD1      LEU  32  13.758  -0.184   0.071
  248   1HD2  LEU  32          1HD2      LEU  32  15.411   2.800   1.549
  249   2HD2  LEU  32          2HD2      LEU  32  15.773   2.274  -0.113
  250   3HD2  LEU  32          3HD2      LEU  32  14.096   2.246   0.485
  251    H    PHE  33           H        PHE  33  16.418  -2.195   5.383
  252    HA   PHE  33           HA       PHE  33  18.510  -0.581   6.567
  253   1HB   PHE  33          1HB       PHE  33  16.301  -1.821   7.560
  254   2HB   PHE  33          2HB       PHE  33  17.388  -3.192   7.659
  255    HD1  PHE  33           HD1      PHE  33  16.469  -0.001   9.095
  256    HD2  PHE  33           HD2      PHE  33  19.400  -3.070   9.116
  257    HE1  PHE  33           HE1      PHE  33  17.350   0.855  11.284
  258    HE2  PHE  33           HE2      PHE  33  20.280  -2.214  11.305
  259    HZ   PHE  33           HZ       PHE  33  19.245  -0.262  12.363
  260    H    SER  34           H        SER  34  17.964  -3.879   5.231
  261    HA   SER  34           HA       SER  34  20.840  -4.130   5.075
  262   1HB   SER  34          1HB       SER  34  20.581  -6.584   5.820
  263   2HB   SER  34          2HB       SER  34  20.499  -5.363   7.074
  264    HG   SER  34           HG       SER  34  18.570  -6.125   7.568
  265    H    ILE  35           H        ILE  35  20.627  -3.834   2.788
  266    HA   ILE  35           HA       ILE  35  19.051  -5.909   1.437
  267    HB   ILE  35           HB       ILE  35  19.253  -4.312  -0.528
  268   1HG1  ILE  35          1HG1      ILE  35  19.696  -2.138   1.490
  269   2HG1  ILE  35          2HG1      ILE  35  21.085  -2.977   0.829
  270   1HG2  ILE  35          1HG2      ILE  35  17.231  -4.721   0.957
  271   2HG2  ILE  35          2HG2      ILE  35  17.671  -3.217   1.800
  272   3HG2  ILE  35          3HG2      ILE  35  17.271  -3.181   0.066
  273   1HD1  ILE  35          1HD1      ILE  35  18.950  -1.989  -1.068
  274   2HD1  ILE  35          2HD1      ILE  35  20.125  -0.833  -0.395
  275   3HD1  ILE  35          3HD1      ILE  35  20.691  -2.221  -1.355
  276    H    GLY  36           H        GLY  36  22.240  -4.433   1.919
  277   1HA   GLY  36          1HA       GLY  36  23.466  -5.855  -0.273
  278   2HA   GLY  36          2HA       GLY  36  23.749  -6.591   1.292
  279    H    ARG  37           H        ARG  37  25.046  -5.526   2.878
  280    HA   ARG  37           HA       ARG  37  26.777  -3.577   1.703
  281   1HB   ARG  37          1HB       ARG  37  24.745  -2.426   2.975
  282   2HB   ARG  37          2HB       ARG  37  25.615  -2.889   4.424
  283   1HG   ARG  37          1HG       ARG  37  27.468  -1.504   3.923
  284   2HG   ARG  37          2HG       ARG  37  27.107  -1.463   2.209
  285   1HD   ARG  37          1HD       ARG  37  24.810  -0.345   3.413
  286   2HD   ARG  37          2HD       ARG  37  26.138   0.302   4.356
  287    HE   ARG  37           HE       ARG  37  26.669   0.443   1.494
  288   1HH1  ARG  37          1HH1      ARG  37  26.692   2.496   0.492
  289   2HH1  ARG  37          2HH1      ARG  37  25.993   3.860   1.298
  290   1HH2  ARG  37          1HH2      ARG  37  25.018   2.046   4.155
  291   2HH2  ARG  37          2HH2      ARG  37  25.034   3.602   3.396
  292    H    CYS  38           H        CYS  38  27.930  -5.793   2.000
  293    HA   CYS  38           HA       CYS  38  29.474  -6.985   3.004
  294   1HB   CYS  38          1HB       CYS  38  29.644  -4.483   4.661
  295   2HB   CYS  38          2HB       CYS  38  30.544  -5.901   5.161
  296    HG   CYS  38           HG       CYS  38  31.509  -6.317   2.635
  297    HA   PRO  39           HA       PRO  39  27.269  -9.180   6.054
  298   1HB   PRO  39          1HB       PRO  39  29.158 -10.952   6.927
  299   2HB   PRO  39          2HB       PRO  39  28.249 -11.173   5.445
  300   1HG   PRO  39          1HG       PRO  39  31.062 -10.329   5.786
  301   2HG   PRO  39          2HG       PRO  39  30.270 -10.958   4.354
  302   1HD   PRO  39          1HD       PRO  39  30.945  -8.220   4.879
  303   2HD   PRO  39          2HD       PRO  39  30.051  -8.834   3.503
  304    H    ILE  40           H        ILE  40  26.536  -7.931   7.684
  305    HA   ILE  40           HA       ILE  40  28.430  -6.829   9.502
  306    HB   ILE  40           HB       ILE  40  26.386  -5.674   8.874
  307   1HG1  ILE  40          1HG1      ILE  40  25.675  -5.936  11.656
  308   2HG1  ILE  40          2HG1      ILE  40  27.419  -6.001  11.492
  309   1HG2  ILE  40          1HG2      ILE  40  24.994  -8.003  10.213
  310   2HG2  ILE  40          2HG2      ILE  40  24.205  -6.448   9.854
  311   3HG2  ILE  40          3HG2      ILE  40  24.839  -7.452   8.528
  312   1HD1  ILE  40          1HD1      ILE  40  26.982  -3.949   9.805
  313   2HD1  ILE  40          2HD1      ILE  40  25.523  -3.770  10.809
  314   3HD1  ILE  40          3HD1      ILE  40  27.135  -3.700  11.561
  315    H    LEU  41           H        LEU  41  26.202  -9.643   9.442
  316    HA   LEU  41           HA       LEU  41  26.364 -10.339  12.106
  317   1HB   LEU  41          1HB       LEU  41  26.175 -12.176   9.715
  318   2HB   LEU  41          2HB       LEU  41  25.736 -12.571  11.365
  319    HG   LEU  41           HG       LEU  41  24.338 -10.193  10.398
  320   1HD1  LEU  41          1HD1      LEU  41  24.271 -12.695   8.748
  321   2HD1  LEU  41          2HD1      LEU  41  22.788 -11.734   8.955
  322   3HD1  LEU  41          3HD1      LEU  41  24.239 -10.989   8.241
  323   1HD2  LEU  41          1HD2      LEU  41  23.967 -12.239  12.265
  324   2HD2  LEU  41          2HD2      LEU  41  22.843 -10.916  11.872
  325   3HD2  LEU  41          3HD2      LEU  41  22.691 -12.486  11.048
  326    H    ALA  42           H        ALA  42  28.260 -11.920   9.436
  327    HA   ALA  42           HA       ALA  42  30.748 -11.534  10.576
  328   1HB   ALA  42          1HB       ALA  42  30.535 -14.309  11.167
  329   2HB   ALA  42          2HB       ALA  42  29.165 -13.506  11.970
  330   3HB   ALA  42          3HB       ALA  42  30.829 -12.969  12.301
  331    H    THR  43           H        THR  43  28.972 -14.440   9.288
  332    HA   THR  43           HA       THR  43  29.760 -14.065   6.640
  333    HB   THR  43           HB       THR  43  32.063 -14.401   7.468
  334    HG1  THR  43           HG1      THR  43  32.406 -16.339   6.126
  335   1HG2  THR  43          1HG2      THR  43  31.362 -15.799   9.527
  336   2HG2  THR  43          2HG2      THR  43  31.136 -17.160   8.402
  337   3HG2  THR  43          3HG2      THR  43  32.747 -16.432   8.605
  338    H    GLN  44           H        GLN  44  29.346 -16.627   9.168
  339    HA   GLN  44           HA       GLN  44  26.894 -17.394   8.175
  340   1HB   GLN  44          1HB       GLN  44  28.891 -18.302   6.464
  341   2HB   GLN  44          2HB       GLN  44  28.643 -19.687   7.509
  342   1HG   GLN  44          1HG       GLN  44  26.344 -19.887   6.918
  343   2HG   GLN  44          2HG       GLN  44  26.254 -18.242   6.322
  344   1HE2  GLN  44          2HE2      GLN  44  25.235 -19.899   4.667
  345   2HE2  GLN  44          1HE2      GLN  44  26.252 -20.304   3.325
  346    H    GLY  45           H        GLY  45  26.659 -17.226  10.514
  347   1HA   GLY  45          1HA       GLY  45  27.895 -18.188  12.584
  348   2HA   GLY  45          2HA       GLY  45  27.436 -19.718  11.862
  349    HA   PRO  46           HA       PRO  46  23.896 -17.747  14.205
  350   1HB   PRO  46          1HB       PRO  46  23.426 -15.056  14.145
  351   2HB   PRO  46          2HB       PRO  46  24.438 -15.825  15.352
  352   1HG   PRO  46          1HG       PRO  46  25.247 -14.207  13.014
  353   2HG   PRO  46          2HG       PRO  46  26.179 -14.618  14.440
  354   1HD   PRO  46          1HD       PRO  46  26.420 -15.794  11.835
  355   2HD   PRO  46          2HD       PRO  46  27.269 -16.282  13.288
  356    H    THR  47           H        THR  47  21.622 -16.525  13.931
  357    HA   THR  47           HA       THR  47  19.797 -16.410  12.667
  358    HB   THR  47           HB       THR  47  21.879 -15.722  10.529
  359    HG1  THR  47           HG1      THR  47  20.087 -14.352  12.401
  360   1HG2  THR  47          1HG2      THR  47  19.543 -16.385   9.626
  361   2HG2  THR  47          2HG2      THR  47  18.907 -15.014  10.566
  362   3HG2  THR  47          3HG2      THR  47  20.077 -14.727   9.255
  363    H    CYS  48           H        CYS  48  21.864 -17.692  10.017
  364    HA   CYS  48           HA       CYS  48  19.978 -19.797   9.642
  365   1HB   CYS  48          1HB       CYS  48  21.366 -20.427   7.737
  366   2HB   CYS  48          2HB       CYS  48  21.048 -18.704   7.724
  367    HG   CYS  48           HG       CYS  48  23.562 -19.406   6.981
  368    H    SER  49           H        SER  49  20.319 -22.040  10.071
  369    HA   SER  49           HA       SER  49  22.839 -22.827  11.172
  370   1HB   SER  49          1HB       SER  49  20.441 -22.343  12.859
  371   2HB   SER  49          2HB       SER  49  21.187 -23.909  13.110
  372    HG   SER  49           HG       SER  49  22.844 -21.569  13.023

  No H/Q in entry =         372
  Start of MODEL    9
    1    H    MET   1           H        MET   1 -22.430   6.861  31.669
    2    HA   MET   1           HA       MET   1 -22.242   7.911  29.339
    3   1HB   MET   1          1HB       MET   1 -24.057   8.639  31.655
    4   2HB   MET   1          2HB       MET   1 -24.230   9.561  30.175
    5   1HG   MET   1          1HG       MET   1 -24.202   6.520  30.112
    6   2HG   MET   1          2HG       MET   1 -25.678   7.394  30.471
    7   1HE   MET   1          1HE       MET   1 -26.970   6.735  28.985
    8   2HE   MET   1          2HE       MET   1 -27.289   7.983  27.757
    9   3HE   MET   1          3HE       MET   1 -26.657   6.393  27.267
   10    H    VAL   2           H        VAL   2 -22.469  10.190  28.396
   11    HA   VAL   2           HA       VAL   2 -21.374  12.077  27.953
   12    HB   VAL   2           HB       VAL   2 -23.182  12.695  29.570
   13   1HG1  VAL   2          1HG1      VAL   2 -20.883  12.482  31.515
   14   2HG1  VAL   2          2HG1      VAL   2 -22.259  13.570  31.822
   15   3HG1  VAL   2          3HG1      VAL   2 -22.531  11.820  31.643
   16   1HG2  VAL   2          1HG2      VAL   2 -20.677  14.388  29.376
   17   2HG2  VAL   2          2HG2      VAL   2 -22.136  14.457  28.359
   18   3HG2  VAL   2          3HG2      VAL   2 -22.209  14.988  30.056
   19    H    ALA   3           H        ALA   3 -19.690   9.815  28.778
   20    HA   ALA   3           HA       ALA   3 -17.658   9.338  29.573
   21   1HB   ALA   3          1HB       ALA   3 -16.304  11.779  28.914
   22   2HB   ALA   3          2HB       ALA   3 -16.357  10.258  27.992
   23   3HB   ALA   3          3HB       ALA   3 -17.587  11.513  27.709
   24    H    ALA   4           H        ALA   4 -18.126   9.240  31.836
   25    HA   ALA   4           HA       ALA   4 -17.311  11.661  33.293
   26   1HB   ALA   4          1HB       ALA   4 -19.690  10.113  33.432
   27   2HB   ALA   4          2HB       ALA   4 -19.188  11.440  34.506
   28   3HB   ALA   4          3HB       ALA   4 -18.766   9.759  34.911
   29    H    ALA   5           H        ALA   5 -15.129  10.512  32.531
   30    HA   ALA   5           HA       ALA   5 -13.934   9.522  34.836
   31   1HB   ALA   5          1HB       ALA   5 -14.717   7.416  32.784
   32   2HB   ALA   5          2HB       ALA   5 -13.478   7.169  34.038
   33   3HB   ALA   5          3HB       ALA   5 -15.169   7.471  34.505
   34    H    MET   6           H        MET   6 -13.049  11.563  33.552
   35    HA   MET   6           HA       MET   6 -10.568  10.842  32.612
   36   1HB   MET   6          1HB       MET   6 -12.714  10.880  30.581
   37   2HB   MET   6          2HB       MET   6 -11.456  12.035  30.187
   38   1HG   MET   6          1HG       MET   6  -9.927  10.394  29.703
   39   2HG   MET   6          2HG       MET   6 -10.373   9.432  31.098
   40   1HE   MET   6          1HE       MET   6 -10.275   7.482  30.457
   41   2HE   MET   6          2HE       MET   6 -11.830   6.694  30.093
   42   3HE   MET   6          3HE       MET   6 -10.586   6.836  28.827
   43    H    LEU   7           H        LEU   7 -10.331  12.534  34.288
   44    HA   LEU   7           HA       LEU   7 -11.162  15.195  33.476
   45   1HB   LEU   7          1HB       LEU   7 -11.537  14.392  35.774
   46   2HB   LEU   7          2HB       LEU   7  -9.807  14.212  35.992
   47    HG   LEU   7           HG       LEU   7 -10.127  16.864  35.148
   48   1HD1  LEU   7          1HD1      LEU   7 -12.633  16.179  35.881
   49   2HD1  LEU   7          2HD1      LEU   7 -11.978  16.695  37.454
   50   3HD1  LEU   7          3HD1      LEU   7 -11.954  17.813  36.069
   51   1HD2  LEU   7          1HD2      LEU   7  -8.729  15.574  37.029
   52   2HD2  LEU   7          2HD2      LEU   7  -8.962  17.339  37.035
   53   3HD2  LEU   7          3HD2      LEU   7  -9.979  16.303  38.065
   54    H    LEU   8           H        LEU   8  -8.090  13.634  34.648
   55    HA   LEU   8           HA       LEU   8  -6.659  14.865  32.484
   56   1HB   LEU   8          1HB       LEU   8  -6.474  15.888  35.291
   57   2HB   LEU   8          2HB       LEU   8  -5.041  15.871  34.283
   58    HG   LEU   8           HG       LEU   8  -6.945  17.046  32.639
   59   1HD1  LEU   8          1HD1      LEU   8  -8.055  17.182  35.176
   60   2HD1  LEU   8          2HD1      LEU   8  -7.285  18.773  34.963
   61   3HD1  LEU   8          3HD1      LEU   8  -8.477  18.195  33.775
   62   1HD2  LEU   8          1HD2      LEU   8  -4.765  18.182  34.392
   63   2HD2  LEU   8          2HD2      LEU   8  -4.724  17.819  32.650
   64   3HD2  LEU   8          3HD2      LEU   8  -5.697  19.183  33.252
   65    H    ARG   9           H        ARG   9  -6.801  12.357  32.357
   66    HA   ARG   9           HA       ARG   9  -4.271  11.438  33.212
   67   1HB   ARG   9          1HB       ARG   9  -5.130   9.439  34.474
   68   2HB   ARG   9          2HB       ARG   9  -5.494  10.948  35.288
   69   1HG   ARG   9          1HG       ARG   9  -7.740  10.718  33.744
   70   2HG   ARG   9          2HG       ARG   9  -7.348   9.021  33.936
   71   1HD   ARG   9          1HD       ARG   9  -7.625   9.075  36.280
   72   2HD   ARG   9          2HD       ARG   9  -7.303  10.794  36.387
   73    HE   ARG   9           HE       ARG   9  -9.599  10.810  34.930
   74   1HH1  ARG   9          1HH1      ARG   9 -11.745  10.724  35.710
   75   2HH1  ARG   9          2HH1      ARG   9 -12.089   9.934  37.213
   76   1HH2  ARG   9          1HH2      ARG   9  -8.744   9.028  37.842
   77   2HH2  ARG   9          2HH2      ARG   9 -10.370   8.963  38.433
   78    H    SER  10           H        SER  10  -4.738  11.684  30.681
   79    HA   SER  10           HA       SER  10  -5.543   9.031  29.802
   80   1HB   SER  10          1HB       SER  10  -7.290  10.927  29.379
   81   2HB   SER  10          2HB       SER  10  -6.165  11.518  28.173
   82    HG   SER  10           HG       SER  10  -6.239   9.225  27.293
   83    H    CYS  11           H        CYS  11  -3.855  12.145  29.055
   84    HA   CYS  11           HA       CYS  11  -1.989  12.591  27.992
   85   1HB   CYS  11          1HB       CYS  11  -1.401  10.241  29.391
   86   2HB   CYS  11          2HB       CYS  11  -0.803   9.931  27.773
   87    HG   CYS  11           HG       CYS  11   1.193  10.843  29.110
   88    HA   PRO  12           HA       PRO  12  -2.896  11.573  23.852
   89   1HB   PRO  12          1HB       PRO  12  -0.765  12.692  22.557
   90   2HB   PRO  12          2HB       PRO  12  -2.149  13.618  23.104
   91   1HG   PRO  12          1HG       PRO  12   0.565  13.477  24.269
   92   2HG   PRO  12          2HG       PRO  12  -0.679  14.685  24.526
   93   1HD   PRO  12          1HD       PRO  12   0.057  12.571  26.320
   94   2HD   PRO  12          2HD       PRO  12  -1.261  13.707  26.524
   95    H    VAL  13           H        VAL  13  -1.511  10.870  21.670
   96    HA   VAL  13           HA       VAL  13   0.284   8.751  22.496
   97    HB   VAL  13           HB       VAL  13  -2.358   8.280  21.110
   98   1HG1  VAL  13          1HG1      VAL  13  -0.355   7.109  20.035
   99   2HG1  VAL  13          2HG1      VAL  13  -0.218   6.185  21.550
  100   3HG1  VAL  13          3HG1      VAL  13  -1.700   6.073  20.570
  101   1HG2  VAL  13          1HG2      VAL  13  -1.188   7.567  23.776
  102   2HG2  VAL  13          2HG2      VAL  13  -2.834   8.097  23.354
  103   3HG2  VAL  13          3HG2      VAL  13  -2.319   6.430  23.004
  104    H    LEU  14           H        LEU  14  -1.614  10.168  19.740
  105    HA   LEU  14           HA       LEU  14   0.375   9.531  17.842
  106   1HB   LEU  14          1HB       LEU  14  -2.240  10.739  17.925
  107   2HB   LEU  14          2HB       LEU  14  -1.175  11.685  16.906
  108    HG   LEU  14           HG       LEU  14  -0.641   9.671  15.581
  109   1HD1  LEU  14          1HD1      LEU  14  -2.568   8.323  17.482
  110   2HD1  LEU  14          2HD1      LEU  14  -2.120   7.649  15.896
  111   3HD1  LEU  14          3HD1      LEU  14  -0.873   7.900  17.141
  112   1HD2  LEU  14          1HD2      LEU  14  -2.883  11.233  15.451
  113   2HD2  LEU  14          2HD2      LEU  14  -2.383  10.044  14.224
  114   3HD2  LEU  14          3HD2      LEU  14  -3.578   9.594  15.465
  115    H    SER  15           H        SER  15  -0.452  12.515  19.708
  116    HA   SER  15           HA       SER  15   0.845  14.150  20.362
  117   1HB   SER  15          1HB       SER  15   2.725  12.358  20.336
  118   2HB   SER  15          2HB       SER  15   3.203  13.041  18.795
  119    HG   SER  15           HG       SER  15   3.897  14.881  19.755
  120    H    GLN  16           H        GLN  16   1.846  13.155  17.001
  121    HA   GLN  16           HA       GLN  16   1.908  15.874  16.181
  122   1HB   GLN  16          1HB       GLN  16   2.423  13.199  14.903
  123   2HB   GLN  16          2HB       GLN  16   2.097  14.555  13.842
  124   1HG   GLN  16          1HG       GLN  16   4.022  15.163  16.030
  125   2HG   GLN  16          2HG       GLN  16   4.580  13.938  14.908
  126   1HE2  GLN  16          2HE2      GLN  16   5.782  14.721  13.370
  127   2HE2  GLN  16          1HE2      GLN  16   5.594  16.233  12.547
  128    H    GLY  17           H        GLY  17   0.384  13.437  14.083
  129   1HA   GLY  17          1HA       GLY  17  -1.745  15.106  13.362
  130   2HA   GLY  17          2HA       GLY  17  -2.312  14.029  14.622
  131    HA   PRO  18           HA       PRO  18  -1.837  11.864  10.467
  132   1HB   PRO  18          1HB       PRO  18   0.473  12.033   9.017
  133   2HB   PRO  18          2HB       PRO  18  -0.889  13.109   8.777
  134   1HG   PRO  18          1HG       PRO  18   1.691  13.654  10.114
  135   2HG   PRO  18          2HG       PRO  18   0.513  14.794   9.494
  136   1HD   PRO  18          1HD       PRO  18   0.939  14.090  12.242
  137   2HD   PRO  18          2HD       PRO  18  -0.314  15.141  11.611
  138    H    THR  19           H        THR  19  -0.877   9.822   9.464
  139    HA   THR  19           HA       THR  19   0.988   8.621  11.376
  140    HB   THR  19           HB       THR  19  -0.612   6.554  11.240
  141    HG1  THR  19           HG1      THR  19  -1.997   7.367   9.576
  142   1HG2  THR  19          1HG2      THR  19  -1.298   9.147  12.689
  143   2HG2  THR  19          2HG2      THR  19  -2.330   7.706  12.851
  144   3HG2  THR  19          3HG2      THR  19  -0.629   7.646  13.373
  145    H    GLY  20           H        GLY  20  -0.815   8.307   8.261
  146   1HA   GLY  20          1HA       GLY  20   0.022   7.796   6.214
  147   2HA   GLY  20          2HA       GLY  20   0.438   6.296   7.020
  148    H    LEU  21           H        LEU  21   1.859   9.515   7.771
  149    HA   LEU  21           HA       LEU  21   4.281   8.791   6.344
  150   1HB   LEU  21          1HB       LEU  21   3.104  11.276   7.479
  151   2HB   LEU  21          2HB       LEU  21   4.851  11.173   7.398
  152    HG   LEU  21           HG       LEU  21   4.413  10.478   4.896
  153   1HD1  LEU  21          1HD1      LEU  21   1.790  10.776   5.682
  154   2HD1  LEU  21          2HD1      LEU  21   2.137  12.320   4.867
  155   3HD1  LEU  21          3HD1      LEU  21   2.388  10.782   4.006
  156   1HD2  LEU  21          1HD2      LEU  21   5.658  12.449   5.590
  157   2HD2  LEU  21          2HD2      LEU  21   4.573  12.839   4.234
  158   3HD2  LEU  21          3HD2      LEU  21   4.140  13.328   5.890
  159    H    LEU  22           H        LEU  22   3.899   6.921   8.265
  160    HA   LEU  22           HA       LEU  22   6.109   7.487  10.025
  161   1HB   LEU  22          1HB       LEU  22   4.230   8.389  11.285
  162   2HB   LEU  22          2HB       LEU  22   3.361   6.875  11.122
  163    HG   LEU  22           HG       LEU  22   5.774   6.106  12.274
  164   1HD1  LEU  22          1HD1      LEU  22   4.978   8.840  13.245
  165   2HD1  LEU  22          2HD1      LEU  22   5.758   7.670  14.337
  166   3HD1  LEU  22          3HD1      LEU  22   6.593   8.199  12.856
  167   1HD2  LEU  22          1HD2      LEU  22   3.151   5.690  12.723
  168   2HD2  LEU  22          2HD2      LEU  22   4.436   5.212  13.858
  169   3HD2  LEU  22          3HD2      LEU  22   3.537   6.726  14.118
  170    H    GLY  23           H        GLY  23   3.389   5.223   9.224
  171   1HA   GLY  23          1HA       GLY  23   3.370   2.953   9.160
  172   2HA   GLY  23          2HA       GLY  23   4.976   2.911   9.860
  173    H    LYS  24           H        LYS  24   4.223   4.882   6.980
  174    HA   LYS  24           HA       LYS  24   5.029   2.890   5.119
  175   1HB   LYS  24          1HB       LYS  24   3.430   4.648   4.542
  176   2HB   LYS  24          2HB       LYS  24   4.639   5.883   4.827
  177   1HG   LYS  24          1HG       LYS  24   6.067   4.914   3.020
  178   2HG   LYS  24          2HG       LYS  24   4.874   3.660   2.742
  179   1HD   LYS  24          1HD       LYS  24   3.985   6.548   2.633
  180   2HD   LYS  24          2HD       LYS  24   4.886   5.899   1.278
  181   1HE   LYS  24          1HE       LYS  24   3.215   3.982   1.164
  182   2HE   LYS  24          2HE       LYS  24   2.279   4.781   2.412
  183    H    VAL  25           H        VAL  25   6.616   5.516   6.945
  184    HA   VAL  25           HA       VAL  25   9.046   5.265   5.432
  185    HB   VAL  25           HB       VAL  25   8.227   6.788   7.905
  186   1HG1  VAL  25          1HG1      VAL  25  10.926   6.691   6.526
  187   2HG1  VAL  25          2HG1      VAL  25  10.429   7.984   7.644
  188   3HG1  VAL  25          3HG1      VAL  25  10.552   6.305   8.223
  189   1HG2  VAL  25          1HG2      VAL  25   7.810   7.274   5.186
  190   2HG2  VAL  25          2HG2      VAL  25   7.656   8.446   6.517
  191   3HG2  VAL  25          3HG2      VAL  25   9.188   8.315   5.619
  192    H    ALA  26           H        ALA  26   7.485   3.637   8.074
  193    HA   ALA  26           HA       ALA  26   9.871   2.806   9.395
  194   1HB   ALA  26          1HB       ALA  26   7.465   1.137   9.714
  195   2HB   ALA  26          2HB       ALA  26   8.403   2.033  10.933
  196   3HB   ALA  26          3HB       ALA  26   7.162   2.872   9.972
  197    H    LYS  27           H        LYS  27   7.417   1.063   7.346
  198    HA   LYS  27           HA       LYS  27   8.840  -1.281   7.109
  199   1HB   LYS  27          1HB       LYS  27   6.451  -0.888   6.490
  200   2HB   LYS  27          2HB       LYS  27   6.988  -0.046   5.050
  201   1HG   LYS  27          1HG       LYS  27   8.278  -2.133   4.383
  202   2HG   LYS  27          2HG       LYS  27   7.577  -2.958   5.760
  203   1HD   LYS  27          1HD       LYS  27   5.507  -1.601   4.180
  204   2HD   LYS  27          2HD       LYS  27   6.441  -2.697   3.182
  205   1HE   LYS  27          1HE       LYS  27   5.835  -3.949   5.756
  206   2HE   LYS  27          2HE       LYS  27   4.361  -3.378   5.000
  207    H    THR  28           H        THR  28   8.766   1.520   4.790
  208    HA   THR  28           HA       THR  28  10.541   0.644   2.949
  209    HB   THR  28           HB       THR  28  10.096   3.397   4.201
  210    HG1  THR  28           HG1      THR  28   9.448   2.143   1.631
  211   1HG2  THR  28          1HG2      THR  28  11.567   2.641   1.620
  212   2HG2  THR  28          2HG2      THR  28  11.063   4.290   2.063
  213   3HG2  THR  28          3HG2      THR  28  12.295   3.446   3.031
  214    H    TYR  29           H        TYR  29  11.504   2.464   5.941
  215    HA   TYR  29           HA       TYR  29  14.243   2.111   5.507
  216   1HB   TYR  29          1HB       TYR  29  12.291   2.787   7.727
  217   2HB   TYR  29          2HB       TYR  29  13.909   2.357   8.243
  218    HD1  TYR  29           HD1      TYR  29  12.360   4.516   5.579
  219    HD2  TYR  29           HD2      TYR  29  15.334   4.136   8.632
  220    HE1  TYR  29           HE1      TYR  29  13.144   6.891   5.122
  221    HE2  TYR  29           HE2      TYR  29  16.107   6.512   8.165
  222    HH   TYR  29           HH       TYR  29  15.818   8.299   6.998
  223    H    GLN  30           H        GLN  30  11.775   0.110   7.180
  224    HA   GLN  30           HA       GLN  30  13.714  -1.597   8.320
  225   1HB   GLN  30          1HB       GLN  30  11.268  -1.142   9.085
  226   2HB   GLN  30          2HB       GLN  30  10.794  -2.294   7.853
  227   1HG   GLN  30          1HG       GLN  30  11.653  -4.103   9.007
  228   2HG   GLN  30          2HG       GLN  30  13.019  -3.198   9.629
  229   1HE2  GLN  30          2HE2      GLN  30  12.531  -4.296  11.619
  230   2HE2  GLN  30          1HE2      GLN  30  11.337  -3.667  12.705
  231    H    PHE  31           H        PHE  31  12.817  -1.097   5.139
  232    HA   PHE  31           HA       PHE  31  13.156  -3.925   4.448
  233   1HB   PHE  31          1HB       PHE  31  11.149  -2.290   3.734
  234   2HB   PHE  31          2HB       PHE  31  12.320  -1.629   2.610
  235    HD1  PHE  31           HD1      PHE  31  13.030  -2.883   0.675
  236    HD2  PHE  31           HD2      PHE  31  10.332  -4.589   3.470
  237    HE1  PHE  31           HE1      PHE  31  12.483  -4.702  -0.965
  238    HE2  PHE  31           HE2      PHE  31   9.784  -6.409   1.831
  239    HZ   PHE  31           HZ       PHE  31  10.866  -6.444  -0.367
  240    H    LEU  32           H        LEU  32  14.468  -0.637   4.135
  241    HA   LEU  32           HA       LEU  32  16.477  -1.628   2.259
  242   1HB   LEU  32          1HB       LEU  32  15.776   1.179   3.131
  243   2HB   LEU  32          2HB       LEU  32  17.036   0.760   1.987
  244    HG   LEU  32           HG       LEU  32  14.364  -0.314   1.321
  245   1HD1  LEU  32          1HD1      LEU  32  14.801   2.594   1.785
  246   2HD1  LEU  32          2HD1      LEU  32  13.911   2.116   0.319
  247   3HD1  LEU  32          3HD1      LEU  32  13.323   1.613   1.922
  248   1HD2  LEU  32          1HD2      LEU  32  16.750   0.005   0.012
  249   2HD2  LEU  32          2HD2      LEU  32  15.175  -0.285  -0.765
  250   3HD2  LEU  32          3HD2      LEU  32  15.798   1.375  -0.608
  251    H    PHE  33           H        PHE  33  16.262  -2.363   5.188
  252    HA   PHE  33           HA       PHE  33  18.878  -1.287   5.978
  253   1HB   PHE  33          1HB       PHE  33  16.235  -1.748   7.374
  254   2HB   PHE  33          2HB       PHE  33  17.662  -2.147   8.310
  255    HD1  PHE  33           HD1      PHE  33  17.930  -0.487   9.894
  256    HD2  PHE  33           HD2      PHE  33  17.023   0.635   5.903
  257    HE1  PHE  33           HE1      PHE  33  18.200   1.931  10.512
  258    HE2  PHE  33           HE2      PHE  33  17.293   3.053   6.521
  259    HZ   PHE  33           HZ       PHE  33  17.879   3.672   8.818
  260    H    SER  34           H        SER  34  17.792  -3.826   4.456
  261    HA   SER  34           HA       SER  34  19.678  -5.556   5.633
  262   1HB   SER  34          1HB       SER  34  16.731  -6.056   6.092
  263   2HB   SER  34          2HB       SER  34  17.808  -7.423   5.889
  264    HG   SER  34           HG       SER  34  17.473  -5.767   8.077
  265    H    ILE  35           H        ILE  35  20.066  -4.793   3.227
  266    HA   ILE  35           HA       ILE  35  18.607  -6.576   1.413
  267    HB   ILE  35           HB       ILE  35  19.826  -4.975  -0.283
  268   1HG1  ILE  35          1HG1      ILE  35  19.554  -3.155   2.124
  269   2HG1  ILE  35          2HG1      ILE  35  21.079  -3.813   1.566
  270   1HG2  ILE  35          1HG2      ILE  35  17.247  -5.180   0.823
  271   2HG2  ILE  35          2HG2      ILE  35  17.624  -3.442   0.767
  272   3HG2  ILE  35          3HG2      ILE  35  17.723  -4.422  -0.716
  273   1HD1  ILE  35          1HD1      ILE  35  19.662  -2.691  -0.703
  274   2HD1  ILE  35          2HD1      ILE  35  19.736  -1.488   0.607
  275   3HD1  ILE  35          3HD1      ILE  35  21.235  -2.211  -0.024
  276    H    GLY  36           H        GLY  36  21.758  -5.702   2.792
  277   1HA   GLY  36          1HA       GLY  36  22.946  -8.140   2.406
  278   2HA   GLY  36          2HA       GLY  36  23.802  -6.621   2.584
  279    H    ARG  37           H        ARG  37  23.868  -5.193   0.489
  280    HA   ARG  37           HA       ARG  37  24.529  -4.936  -1.551
  281   1HB   ARG  37          1HB       ARG  37  25.618  -7.632  -0.858
  282   2HB   ARG  37          2HB       ARG  37  25.555  -7.294  -2.577
  283   1HG   ARG  37          1HG       ARG  37  26.561  -4.957  -1.145
  284   2HG   ARG  37          2HG       ARG  37  27.494  -6.373  -0.702
  285   1HD   ARG  37          1HD       ARG  37  28.389  -6.621  -2.819
  286   2HD   ARG  37          2HD       ARG  37  26.910  -6.130  -3.621
  287    HE   ARG  37           HE       ARG  37  29.102  -4.376  -2.764
  288   1HH1  ARG  37          1HH1      ARG  37  28.985  -2.173  -3.359
  289   2HH1  ARG  37          2HH1      ARG  37  27.495  -1.512  -3.943
  290   1HH2  ARG  37          1HH2      ARG  37  25.705  -4.534  -3.670
  291   2HH2  ARG  37          2HH2      ARG  37  25.616  -2.864  -4.121
  292    H    CYS  38           H        CYS  38  22.385  -4.614  -2.422
  293    HA   CYS  38           HA       CYS  38  20.503  -6.410  -3.004
  294   1HB   CYS  38          1HB       CYS  38  21.368  -3.903  -4.413
  295   2HB   CYS  38          2HB       CYS  38  20.116  -4.893  -5.137
  296    HG   CYS  38           HG       CYS  38  18.574  -3.453  -3.935
  297    HA   PRO  39           HA       PRO  39  22.889  -8.960  -5.766
  298   1HB   PRO  39          1HB       PRO  39  21.435 -11.248  -5.418
  299   2HB   PRO  39          2HB       PRO  39  22.801 -10.818  -4.408
  300   1HG   PRO  39          1HG       PRO  39  19.915 -10.687  -3.777
  301   2HG   PRO  39          2HG       PRO  39  21.281 -10.675  -2.679
  302   1HD   PRO  39          1HD       PRO  39  19.691  -8.421  -3.465
  303   2HD   PRO  39          2HD       PRO  39  21.126  -8.392  -2.459
  304    H    ILE  40           H        ILE  40  22.313  -7.607  -7.538
  305    HA   ILE  40           HA       ILE  40  19.753  -8.036  -8.711
  306    HB   ILE  40           HB       ILE  40  20.665  -6.627 -10.525
  307   1HG1  ILE  40          1HG1      ILE  40  23.177  -6.330  -8.876
  308   2HG1  ILE  40          2HG1      ILE  40  23.059  -7.518 -10.159
  309   1HG2  ILE  40          1HG2      ILE  40  19.547  -5.636  -8.592
  310   2HG2  ILE  40          2HG2      ILE  40  21.097  -5.564  -7.719
  311   3HG2  ILE  40          3HG2      ILE  40  20.856  -4.587  -9.188
  312   1HD1  ILE  40          1HD1      ILE  40  22.023  -5.020 -11.168
  313   2HD1  ILE  40          2HD1      ILE  40  23.598  -4.713 -10.399
  314   3HD1  ILE  40          3HD1      ILE  40  23.464  -5.917 -11.703
  315    H    LEU  41           H        LEU  41  23.040  -9.372  -9.081
  316    HA   LEU  41           HA       LEU  41  22.778 -10.552 -11.552
  317   1HB   LEU  41          1HB       LEU  41  24.399 -12.267 -10.520
  318   2HB   LEU  41          2HB       LEU  41  24.895 -10.595 -10.699
  319    HG   LEU  41           HG       LEU  41  23.662 -11.092  -8.097
  320   1HD1  LEU  41          1HD1      LEU  41  25.648 -13.029  -9.090
  321   2HD1  LEU  41          2HD1      LEU  41  26.041 -12.292  -7.518
  322   3HD1  LEU  41          3HD1      LEU  41  24.494 -13.144  -7.739
  323   1HD2  LEU  41          1HD2      LEU  41  26.203  -9.868  -9.149
  324   2HD2  LEU  41          2HD2      LEU  41  24.835  -9.095  -8.314
  325   3HD2  LEU  41          3HD2      LEU  41  25.959 -10.134  -7.406
  326    H    ALA  42           H        ALA  42  21.842 -11.832  -8.294
  327    HA   ALA  42           HA       ALA  42  20.403 -13.404  -7.701
  328   1HB   ALA  42          1HB       ALA  42  18.572 -12.457  -8.727
  329   2HB   ALA  42          2HB       ALA  42  18.646 -13.980  -9.645
  330   3HB   ALA  42          3HB       ALA  42  19.323 -12.488 -10.341
  331    H    THR  43           H        THR  43  22.415 -14.759  -7.688
  332    HA   THR  43           HA       THR  43  21.923 -17.182  -9.108
  333    HB   THR  43           HB       THR  43  23.017 -15.907 -10.927
  334    HG1  THR  43           HG1      THR  43  23.620 -18.163 -10.582
  335   1HG2  THR  43          1HG2      THR  43  24.867 -15.152  -8.695
  336   2HG2  THR  43          2HG2      THR  43  25.658 -15.606 -10.224
  337   3HG2  THR  43          3HG2      THR  43  24.484 -14.268 -10.191
  338    H    GLN  44           H        GLN  44  21.798 -16.753  -6.439
  339    HA   GLN  44           HA       GLN  44  23.863 -18.477  -5.573
  340   1HB   GLN  44          1HB       GLN  44  24.585 -15.826  -5.445
  341   2HB   GLN  44          2HB       GLN  44  23.851 -16.034  -3.868
  342   1HG   GLN  44          1HG       GLN  44  25.965 -16.768  -3.312
  343   2HG   GLN  44          2HG       GLN  44  25.342 -18.296  -3.902
  344   1HE2  GLN  44          2HE2      GLN  44  27.522 -15.694  -4.394
  345   2HE2  GLN  44          1HE2      GLN  44  28.325 -16.272  -5.815
  346    H    GLY  45           H        GLY  45  21.779 -15.922  -4.023
  347   1HA   GLY  45          1HA       GLY  45  19.875 -16.163  -2.804
  348   2HA   GLY  45          2HA       GLY  45  20.933 -17.148  -1.813
  349    HA   PRO  46           HA       PRO  46  19.120 -20.800  -3.623
  350   1HB   PRO  46          1HB       PRO  46  19.574 -22.458  -1.498
  351   2HB   PRO  46          2HB       PRO  46  20.711 -22.257  -2.816
  352   1HG   PRO  46          1HG       PRO  46  20.850 -21.177  -0.067
  353   2HG   PRO  46          2HG       PRO  46  22.136 -21.352  -1.244
  354   1HD   PRO  46          1HD       PRO  46  20.779 -18.927  -0.532
  355   2HD   PRO  46          2HD       PRO  46  21.983 -19.124  -1.790
  356    H    THR  47           H        THR  47  17.027 -20.086  -3.810
  357    HA   THR  47           HA       THR  47  15.445 -20.747  -1.435
  358    HB   THR  47           HB       THR  47  15.909 -18.279  -1.421
  359    HG1  THR  47           HG1      THR  47  13.674 -17.915  -1.110
  360   1HG2  THR  47          1HG2      THR  47  14.665 -18.503  -4.198
  361   2HG2  THR  47          2HG2      THR  47  14.559 -17.000  -3.250
  362   3HG2  THR  47          3HG2      THR  47  16.149 -17.640  -3.729
  363    H    CYS  48           H        CYS  48  13.276 -21.376  -1.860
  364    HA   CYS  48           HA       CYS  48  11.700 -22.388  -3.001
  365   1HB   CYS  48          1HB       CYS  48  12.651 -20.446  -5.089
  366   2HB   CYS  48          2HB       CYS  48  11.488 -21.678  -5.535
  367    HG   CYS  48           HG       CYS  48  10.537 -19.164  -4.825
  368    H    SER  49           H        SER  49  11.954 -24.572  -3.307
  369    HA   SER  49           HA       SER  49  12.868 -26.473  -3.873
  370   1HB   SER  49          1HB       SER  49  13.042 -26.897  -6.288
  371   2HB   SER  49          2HB       SER  49  11.638 -25.904  -5.950
  372    HG   SER  49           HG       SER  49  13.995 -24.447  -6.455

  No H/Q in entry =         372
  Start of MODEL   10
    1    H    MET   1           H        MET   1 -21.190  37.875  24.407
    2    HA   MET   1           HA       MET   1 -21.139  36.053  26.548
    3   1HB   MET   1          1HB       MET   1 -23.575  37.755  26.072
    4   2HB   MET   1          2HB       MET   1 -23.888  36.046  26.302
    5   1HG   MET   1          1HG       MET   1 -23.968  36.912  28.510
    6   2HG   MET   1          2HG       MET   1 -22.357  36.229  28.410
    7   1HE   MET   1          1HE       MET   1 -20.739  37.052  29.257
    8   2HE   MET   1          2HE       MET   1 -20.004  38.652  28.999
    9   3HE   MET   1          3HE       MET   1 -21.072  38.378  30.397
   10    H    VAL   2           H        VAL   2 -20.072  35.599  24.167
   11    HA   VAL   2           HA       VAL   2 -22.118  34.214  22.584
   12    HB   VAL   2           HB       VAL   2 -20.715  36.043  21.558
   13   1HG1  VAL   2          1HG1      VAL   2 -18.597  35.309  22.760
   14   2HG1  VAL   2          2HG1      VAL   2 -18.493  33.985  21.575
   15   3HG1  VAL   2          3HG1      VAL   2 -18.428  35.677  21.026
   16   1HG2  VAL   2          1HG2      VAL   2 -20.822  33.236  20.453
   17   2HG2  VAL   2          2HG2      VAL   2 -21.826  34.647  20.040
   18   3HG2  VAL   2          3HG2      VAL   2 -20.127  34.577  19.511
   19    H    ALA   3           H        ALA   3 -21.718  32.027  21.896
   20    HA   ALA   3           HA       ALA   3 -19.409  30.660  22.893
   21   1HB   ALA   3          1HB       ALA   3 -21.441  30.959  24.725
   22   2HB   ALA   3          2HB       ALA   3 -20.270  29.618  24.716
   23   3HB   ALA   3          3HB       ALA   3 -21.868  29.409  23.960
   24    H    ALA   4           H        ALA   4 -18.993  29.885  20.838
   25    HA   ALA   4           HA       ALA   4 -21.128  28.220  19.691
   26   1HB   ALA   4          1HB       ALA   4 -20.871  29.196  17.650
   27   2HB   ALA   4          2HB       ALA   4 -19.115  29.403  17.856
   28   3HB   ALA   4          3HB       ALA   4 -20.241  30.562  18.601
   29    H    ALA   5           H        ALA   5 -19.995  26.614  21.189
   30    HA   ALA   5           HA       ALA   5 -18.100  25.159  19.601
   31   1HB   ALA   5          1HB       ALA   5 -16.469  26.536  20.635
   32   2HB   ALA   5          2HB       ALA   5 -17.313  26.505  22.202
   33   3HB   ALA   5          3HB       ALA   5 -16.485  25.046  21.608
   34    H    MET   6           H        MET   6 -18.998  25.371  23.119
   35    HA   MET   6           HA       MET   6 -19.613  23.749  24.480
   36   1HB   MET   6          1HB       MET   6 -21.684  24.609  22.874
   37   2HB   MET   6          2HB       MET   6 -21.764  22.888  22.557
   38   1HG   MET   6          1HG       MET   6 -21.442  23.071  25.366
   39   2HG   MET   6          2HG       MET   6 -22.556  24.364  24.969
   40   1HE   MET   6          1HE       MET   6 -24.192  23.373  26.366
   41   2HE   MET   6          2HE       MET   6 -25.272  22.022  25.945
   42   3HE   MET   6          3HE       MET   6 -23.703  21.699  26.722
   43    H    LEU   7           H        LEU   7 -17.474  22.651  23.340
   44    HA   LEU   7           HA       LEU   7 -17.911  20.387  21.757
   45   1HB   LEU   7          1HB       LEU   7 -15.693  21.509  23.386
   46   2HB   LEU   7          2HB       LEU   7 -15.595  19.810  22.967
   47    HG   LEU   7           HG       LEU   7 -14.370  21.151  21.366
   48   1HD1  LEU   7          1HD1      LEU   7 -16.072  19.146  20.740
   49   2HD1  LEU   7          2HD1      LEU   7 -16.684  20.428  19.668
   50   3HD1  LEU   7          3HD1      LEU   7 -14.978  19.927  19.574
   51   1HD2  LEU   7          1HD2      LEU   7 -16.711  22.871  21.525
   52   2HD2  LEU   7          2HD2      LEU   7 -15.060  23.227  20.963
   53   3HD2  LEU   7          3HD2      LEU   7 -16.249  22.519  19.843
   54    H    LEU   8           H        LEU   8 -16.631  20.191  25.128
   55    HA   LEU   8           HA       LEU   8 -16.878  18.529  26.601
   56   1HB   LEU   8          1HB       LEU   8 -19.570  19.713  26.123
   57   2HB   LEU   8          2HB       LEU   8 -19.467  18.303  27.158
   58    HG   LEU   8           HG       LEU   8 -17.612  20.588  27.701
   59   1HD1  LEU   8          1HD1      LEU   8 -20.560  20.593  28.398
   60   2HD1  LEU   8          2HD1      LEU   8 -19.340  21.679  29.106
   61   3HD1  LEU   8          3HD1      LEU   8 -19.694  21.755  27.363
   62   1HD2  LEU   8          1HD2      LEU   8 -17.464  18.461  28.959
   63   2HD2  LEU   8          2HD2      LEU   8 -17.835  19.862  29.992
   64   3HD2  LEU   8          3HD2      LEU   8 -19.125  18.720  29.544
   65    H    ARG   9           H        ARG   9 -15.996  16.919  25.057
   66    HA   ARG   9           HA       ARG   9 -17.654  14.692  25.006
   67   1HB   ARG   9          1HB       ARG   9 -17.648  14.401  22.443
   68   2HB   ARG   9          2HB       ARG   9 -18.773  15.587  23.075
   69   1HG   ARG   9          1HG       ARG   9 -16.662  17.234  22.724
   70   2HG   ARG   9          2HG       ARG   9 -16.214  16.020  21.543
   71   1HD   ARG   9          1HD       ARG   9 -18.956  16.415  21.053
   72   2HD   ARG   9          2HD       ARG   9 -18.378  18.026  21.432
   73    HE   ARG   9           HE       ARG   9 -16.454  17.207  19.694
   74   1HH1  ARG   9          1HH1      ARG   9 -16.509  17.295  17.411
   75   2HH1  ARG   9          2HH1      ARG   9 -18.026  17.223  16.579
   76   1HH2  ARG   9          1HH2      ARG   9 -19.960  16.970  19.512
   77   2HH2  ARG   9          2HH2      ARG   9 -20.002  17.037  17.781
   78    H    SER  10           H        SER  10 -14.868  16.438  23.515
   79    HA   SER  10           HA       SER  10 -12.787  15.900  23.225
   80   1HB   SER  10          1HB       SER  10 -13.388  14.749  25.663
   81   2HB   SER  10          2HB       SER  10 -12.764  13.367  24.784
   82    HG   SER  10           HG       SER  10 -10.905  14.878  24.194
   83    H    CYS  11           H        CYS  11 -14.470  15.124  21.193
   84    HA   CYS  11           HA       CYS  11 -14.226  12.363  20.600
   85   1HB   CYS  11          1HB       CYS  11 -15.799  14.465  19.676
   86   2HB   CYS  11          2HB       CYS  11 -14.761  14.110  18.310
   87    HG   CYS  11           HG       CYS  11 -15.173  11.329  19.108
   88    HA   PRO  12           HA       PRO  12 -10.825  14.085  17.761
   89   1HB   PRO  12          1HB       PRO  12 -10.079  16.708  17.940
   90   2HB   PRO  12          2HB       PRO  12 -11.236  16.119  16.763
   91   1HG   PRO  12          1HG       PRO  12 -11.730  17.659  19.238
   92   2HG   PRO  12          2HG       PRO  12 -12.785  17.432  17.857
   93   1HD   PRO  12          1HD       PRO  12 -12.984  16.125  20.403
   94   2HD   PRO  12          2HD       PRO  12 -13.967  15.815  18.986
   95    H    VAL  13           H        VAL  13 -10.205  12.640  19.681
   96    HA   VAL  13           HA       VAL  13  -8.336  14.045  21.403
   97    HB   VAL  13           HB       VAL  13  -9.946  12.449  22.336
   98   1HG1  VAL  13          1HG1      VAL  13  -9.007  10.788  20.152
   99   2HG1  VAL  13          2HG1      VAL  13  -8.845   9.941  21.709
  100   3HG1  VAL  13          3HG1      VAL  13 -10.427  10.584  21.207
  101   1HG2  VAL  13          1HG2      VAL  13  -6.996  12.081  22.587
  102   2HG2  VAL  13          2HG2      VAL  13  -8.199  12.578  23.801
  103   3HG2  VAL  13          3HG2      VAL  13  -8.043  10.862  23.353
  104    H    LEU  14           H        LEU  14  -8.456  12.025  18.518
  105    HA   LEU  14           HA       LEU  14  -6.885  11.340  17.128
  106   1HB   LEU  14          1HB       LEU  14  -5.564  13.585  18.527
  107   2HB   LEU  14          2HB       LEU  14  -4.495  12.477  17.690
  108    HG   LEU  14           HG       LEU  14  -6.527  12.987  15.838
  109   1HD1  LEU  14          1HD1      LEU  14  -6.658  15.056  17.710
  110   2HD1  LEU  14          2HD1      LEU  14  -5.732  15.728  16.347
  111   3HD1  LEU  14          3HD1      LEU  14  -7.349  15.038  16.070
  112   1HD2  LEU  14          1HD2      LEU  14  -3.665  13.763  16.191
  113   2HD2  LEU  14          2HD2      LEU  14  -4.443  12.775  14.932
  114   3HD2  LEU  14          3HD2      LEU  14  -4.602  14.547  14.897
  115    H    SER  15           H        SER  15  -7.463   9.386  18.670
  116    HA   SER  15           HA       SER  15  -5.087   8.596  20.127
  117   1HB   SER  15          1HB       SER  15  -7.455   8.447  21.118
  118   2HB   SER  15          2HB       SER  15  -7.759   7.142  19.989
  119    HG   SER  15           HG       SER  15  -6.953   6.583  22.243
  120    H    GLN  16           H        GLN  16  -4.070   8.460  17.819
  121    HA   GLN  16           HA       GLN  16  -3.180   7.201  16.289
  122   1HB   GLN  16          1HB       GLN  16  -4.098   5.227  18.249
  123   2HB   GLN  16          2HB       GLN  16  -4.113   4.557  16.630
  124   1HG   GLN  16          1HG       GLN  16  -1.697   5.845  16.569
  125   2HG   GLN  16          2HG       GLN  16  -1.793   5.485  18.282
  126   1HE2  GLN  16          2HE2      GLN  16  -2.436   3.235  18.858
  127   2HE2  GLN  16          1HE2      GLN  16  -1.780   1.928  17.930
  128    H    GLY  17           H        GLY  17  -4.949   8.568  15.105
  129   1HA   GLY  17          1HA       GLY  17  -6.762   8.714  13.725
  130   2HA   GLY  17          2HA       GLY  17  -7.207   7.062  14.105
  131    HA   PRO  18           HA       PRO  18  -4.696   7.396  10.133
  132   1HB   PRO  18          1HB       PRO  18  -2.310   8.726  10.055
  133   2HB   PRO  18          2HB       PRO  18  -3.839   9.477   9.646
  134   1HG   PRO  18          1HG       PRO  18  -2.213   9.798  12.093
  135   2HG   PRO  18          2HG       PRO  18  -3.490  10.830  11.481
  136   1HD   PRO  18          1HD       PRO  18  -3.684   8.959  13.647
  137   2HD   PRO  18          2HD       PRO  18  -4.989   9.905  12.959
  138    H    THR  19           H        THR  19  -2.422   6.646   9.085
  139    HA   THR  19           HA       THR  19  -0.966   5.035  10.977
  140    HB   THR  19           HB       THR  19  -3.013   3.656  10.553
  141    HG1  THR  19           HG1      THR  19  -1.680   1.837   9.731
  142   1HG2  THR  19          1HG2      THR  19  -3.227   4.617   8.085
  143   2HG2  THR  19          2HG2      THR  19  -2.051   3.341   7.689
  144   3HG2  THR  19          3HG2      THR  19  -3.630   2.910   8.387
  145    H    GLY  20           H        GLY  20  -1.705   5.814   7.534
  146   1HA   GLY  20          1HA       GLY  20  -0.320   5.816   5.729
  147   2HA   GLY  20          2HA       GLY  20   0.957   5.098   6.691
  148    H    LEU  21           H        LEU  21   1.374   6.855   8.779
  149    HA   LEU  21           HA       LEU  21   2.329   9.201   7.326
  150   1HB   LEU  21          1HB       LEU  21   1.126  10.678   8.442
  151   2HB   LEU  21          2HB       LEU  21   0.092   9.337   8.893
  152    HG   LEU  21           HG       LEU  21   1.902   9.143  10.876
  153   1HD1  LEU  21          1HD1      LEU  21   2.722  11.493   9.648
  154   2HD1  LEU  21          2HD1      LEU  21   1.764  12.048  11.041
  155   3HD1  LEU  21          3HD1      LEU  21   3.140  10.947  11.289
  156   1HD2  LEU  21          1HD2      LEU  21  -0.648   9.456  10.895
  157   2HD2  LEU  21          2HD2      LEU  21   0.278  10.027  12.304
  158   3HD2  LEU  21          3HD2      LEU  21  -0.299  11.191  11.087
  159    H    LEU  22           H        LEU  22   3.275   6.491   8.597
  160    HA   LEU  22           HA       LEU  22   5.767   7.475   9.430
  161   1HB   LEU  22          1HB       LEU  22   5.697   7.574  11.642
  162   2HB   LEU  22          2HB       LEU  22   3.966   7.753  11.434
  163    HG   LEU  22           HG       LEU  22   5.249   5.042  11.792
  164   1HD1  LEU  22          1HD1      LEU  22   5.447   7.036  13.684
  165   2HD1  LEU  22          2HD1      LEU  22   3.976   6.164  14.177
  166   3HD1  LEU  22          3HD1      LEU  22   5.513   5.284  13.995
  167   1HD2  LEU  22          1HD2      LEU  22   2.589   5.960  11.299
  168   2HD2  LEU  22          2HD2      LEU  22   3.181   4.296  11.517
  169   3HD2  LEU  22          3HD2      LEU  22   2.652   5.244  12.928
  170    H    GLY  23           H        GLY  23   3.331   4.822   9.615
  171   1HA   GLY  23          1HA       GLY  23   3.484   2.639   9.108
  172   2HA   GLY  23          2HA       GLY  23   5.081   2.673   9.830
  173    H    LYS  24           H        LYS  24   4.179   4.709   7.029
  174    HA   LYS  24           HA       LYS  24   5.160   2.891   5.086
  175   1HB   LYS  24          1HB       LYS  24   3.870   5.490   5.172
  176   2HB   LYS  24          2HB       LYS  24   5.187   5.491   4.015
  177   1HG   LYS  24          1HG       LYS  24   3.622   4.563   2.615
  178   2HG   LYS  24          2HG       LYS  24   4.076   3.070   3.412
  179   1HD   LYS  24          1HD       LYS  24   2.181   4.143   5.166
  180   2HD   LYS  24          2HD       LYS  24   1.554   4.609   3.598
  181   1HE   LYS  24          1HE       LYS  24   0.610   2.486   3.789
  182   2HE   LYS  24          2HE       LYS  24   2.095   2.077   2.954
  183    H    VAL  25           H        VAL  25   6.514   5.683   6.907
  184    HA   VAL  25           HA       VAL  25   8.979   5.601   5.470
  185    HB   VAL  25           HB       VAL  25   8.055   6.978   7.993
  186   1HG1  VAL  25          1HG1      VAL  25  10.743   7.010   6.619
  187   2HG1  VAL  25          2HG1      VAL  25  10.170   8.400   7.571
  188   3HG1  VAL  25          3HG1      VAL  25  10.367   6.811   8.347
  189   1HG2  VAL  25          1HG2      VAL  25   8.562   7.984   5.172
  190   2HG2  VAL  25          2HG2      VAL  25   6.981   7.792   5.967
  191   3HG2  VAL  25          3HG2      VAL  25   8.137   9.004   6.567
  192    H    ALA  26           H        ALA  26   7.523   3.787   8.050
  193    HA   ALA  26           HA       ALA  26  10.019   3.063   9.280
  194   1HB   ALA  26          1HB       ALA  26   8.190   1.281  10.222
  195   2HB   ALA  26          2HB       ALA  26   8.393   2.925  10.876
  196   3HB   ALA  26          3HB       ALA  26   7.109   2.591   9.689
  197    H    LYS  27           H        LYS  27   7.455   1.333   7.361
  198    HA   LYS  27           HA       LYS  27   8.739  -1.057   7.093
  199   1HB   LYS  27          1HB       LYS  27   6.396  -0.054   6.246
  200   2HB   LYS  27          2HB       LYS  27   7.264  -0.005   4.725
  201   1HG   LYS  27          1HG       LYS  27   6.567  -2.190   4.564
  202   2HG   LYS  27          2HG       LYS  27   7.987  -2.501   5.542
  203   1HD   LYS  27          1HD       LYS  27   6.662  -3.342   7.175
  204   2HD   LYS  27          2HD       LYS  27   5.925  -1.765   7.375
  205   1HE   LYS  27          1HE       LYS  27   4.451  -2.422   5.302
  206   2HE   LYS  27          2HE       LYS  27   4.993  -4.059   5.611
  207    H    THR  28           H        THR  28   8.901   1.724   4.753
  208    HA   THR  28           HA       THR  28  10.689   0.734   2.987
  209    HB   THR  28           HB       THR  28  10.409   3.531   4.197
  210    HG1  THR  28           HG1      THR  28   8.623   3.258   2.916
  211   1HG2  THR  28          1HG2      THR  28  12.618   3.155   2.902
  212   2HG2  THR  28          2HG2      THR  28  11.605   2.781   1.487
  213   3HG2  THR  28          3HG2      THR  28  11.532   4.396   2.232
  214    H    TYR  29           H        TYR  29  11.663   2.562   5.971
  215    HA   TYR  29           HA       TYR  29  14.381   2.103   5.657
  216   1HB   TYR  29          1HB       TYR  29  12.360   2.803   7.788
  217   2HB   TYR  29          2HB       TYR  29  13.894   2.222   8.405
  218    HD1  TYR  29           HD1      TYR  29  15.717   3.687   8.619
  219    HD2  TYR  29           HD2      TYR  29  12.435   4.782   6.102
  220    HE1  TYR  29           HE1      TYR  29  16.709   6.009   8.324
  221    HE2  TYR  29           HE2      TYR  29  13.438   7.100   5.815
  222    HH   TYR  29           HH       TYR  29  16.125   8.152   7.737
  223    H    GLN  30           H        GLN  30  11.819   0.137   7.252
  224    HA   GLN  30           HA       GLN  30  13.702  -1.682   8.319
  225   1HB   GLN  30          1HB       GLN  30  11.124  -1.092   8.919
  226   2HB   GLN  30          2HB       GLN  30  10.845  -2.500   7.913
  227   1HG   GLN  30          1HG       GLN  30  12.852  -3.501   9.434
  228   2HG   GLN  30          2HG       GLN  30  12.251  -2.306  10.566
  229   1HE2  GLN  30          2HE2      GLN  30  10.835  -3.041  11.935
  230   2HE2  GLN  30          1HE2      GLN  30   9.650  -4.277  11.671
  231    H    PHE  31           H        PHE  31  12.821  -1.045   5.171
  232    HA   PHE  31           HA       PHE  31  13.008  -3.866   4.393
  233   1HB   PHE  31          1HB       PHE  31  11.404  -1.550   3.614
  234   2HB   PHE  31          2HB       PHE  31  12.374  -2.023   2.233
  235    HD1  PHE  31           HD1      PHE  31   9.278  -2.412   3.602
  236    HD2  PHE  31           HD2      PHE  31  12.423  -4.783   2.026
  237    HE1  PHE  31           HE1      PHE  31   7.637  -4.237   3.075
  238    HE2  PHE  31           HE2      PHE  31  10.783  -6.609   1.498
  239    HZ   PHE  31           HZ       PHE  31   8.410  -6.314   2.029
  240    H    LEU  32           H        LEU  32  14.532  -0.687   4.285
  241    HA   LEU  32           HA       LEU  32  16.428  -1.662   2.280
  242   1HB   LEU  32          1HB       LEU  32  15.912   1.120   3.339
  243   2HB   LEU  32          2HB       LEU  32  17.129   0.702   2.150
  244    HG   LEU  32           HG       LEU  32  14.149   0.300   1.768
  245   1HD1  LEU  32          1HD1      LEU  32  15.780   2.682   1.549
  246   2HD1  LEU  32          2HD1      LEU  32  15.065   2.245  -0.021
  247   3HD1  LEU  32          3HD1      LEU  32  14.018   2.486   1.397
  248   1HD2  LEU  32          1HD2      LEU  32  15.509  -1.264   0.471
  249   2HD2  LEU  32          2HD2      LEU  32  14.708  -0.074  -0.582
  250   3HD2  LEU  32          3HD2      LEU  32  16.440   0.093  -0.206
  251    H    PHE  33           H        PHE  33  16.221  -2.575   5.156
  252    HA   PHE  33           HA       PHE  33  18.775  -1.521   6.129
  253   1HB   PHE  33          1HB       PHE  33  16.348  -1.724   7.370
  254   2HB   PHE  33          2HB       PHE  33  16.905  -3.359   7.667
  255    HD1  PHE  33           HD1      PHE  33  19.514  -3.368   8.504
  256    HD2  PHE  33           HD2      PHE  33  16.703  -0.243   9.086
  257    HE1  PHE  33           HE1      PHE  33  20.821  -2.562  10.489
  258    HE2  PHE  33           HE2      PHE  33  18.010   0.563  11.072
  259    HZ   PHE  33           HZ       PHE  33  20.053  -0.606  11.750
  260    H    SER  34           H        SER  34  16.882  -4.600   5.749
  261    HA   SER  34           HA       SER  34  19.276  -6.102   6.181
  262   1HB   SER  34          1HB       SER  34  17.272  -7.053   7.092
  263   2HB   SER  34          2HB       SER  34  16.384  -6.827   5.598
  264    HG   SER  34           HG       SER  34  16.910  -8.922   5.375
  265    H    ILE  35           H        ILE  35  16.789  -5.908   3.520
  266    HA   ILE  35           HA       ILE  35  16.941  -6.474   1.369
  267    HB   ILE  35           HB       ILE  35  18.768  -5.208   0.166
  268   1HG1  ILE  35          1HG1      ILE  35  19.403  -4.226   2.965
  269   2HG1  ILE  35          2HG1      ILE  35  20.427  -5.273   2.002
  270   1HG2  ILE  35          1HG2      ILE  35  16.453  -4.371   0.670
  271   2HG2  ILE  35          2HG2      ILE  35  17.129  -3.555   2.100
  272   3HG2  ILE  35          3HG2      ILE  35  17.689  -3.106   0.471
  273   1HD1  ILE  35          1HD1      ILE  35  19.504  -2.508   1.096
  274   2HD1  ILE  35          2HD1      ILE  35  21.071  -2.837   1.874
  275   3HD1  ILE  35          3HD1      ILE  35  20.698  -3.551   0.287
  276    H    GLY  36           H        GLY  36  17.167  -8.721   1.359
  277   1HA   GLY  36          1HA       GLY  36  18.179 -10.660   0.835
  278   2HA   GLY  36          2HA       GLY  36  19.389 -10.195   2.014
  279    H    ARG  37           H        ARG  37  20.763 -11.516   0.408
  280    HA   ARG  37           HA       ARG  37  22.420 -11.526  -0.983
  281   1HB   ARG  37          1HB       ARG  37  20.092 -10.803  -2.508
  282   2HB   ARG  37          2HB       ARG  37  21.427  -9.876  -3.164
  283   1HG   ARG  37          1HG       ARG  37  22.589 -11.769  -3.874
  284   2HG   ARG  37          2HG       ARG  37  21.961 -12.776  -2.585
  285   1HD   ARG  37          1HD       ARG  37  19.773 -12.941  -3.691
  286   2HD   ARG  37          2HD       ARG  37  20.246 -11.767  -4.904
  287    HE   ARG  37           HE       ARG  37  21.507 -13.421  -6.012
  288   1HH1  ARG  37          1HH1      ARG  37  22.157 -15.574  -6.416
  289   2HH1  ARG  37          2HH1      ARG  37  21.950 -16.784  -5.194
  290   1HH2  ARG  37          1HH2      ARG  37  20.522 -14.586  -2.841
  291   2HH2  ARG  37          2HH2      ARG  37  21.014 -16.218  -3.147
  292    H    CYS  38           H        CYS  38  23.900 -10.218   0.254
  293    HA   CYS  38           HA       CYS  38  24.662  -7.819  -1.066
  294   1HB   CYS  38          1HB       CYS  38  22.747  -7.405   0.875
  295   2HB   CYS  38          2HB       CYS  38  24.231  -7.176   1.778
  296    HG   CYS  38           HG       CYS  38  23.279  -4.868   0.882
  297    HA   PRO  39           HA       PRO  39  28.016 -10.103   0.821
  298   1HB   PRO  39          1HB       PRO  39  29.836  -9.698  -1.177
  299   2HB   PRO  39          2HB       PRO  39  28.745 -11.069  -1.138
  300   1HG   PRO  39          1HG       PRO  39  28.616  -8.644  -2.825
  301   2HG   PRO  39          2HG       PRO  39  27.812 -10.184  -3.053
  302   1HD   PRO  39          1HD       PRO  39  26.630  -7.760  -2.078
  303   2HD   PRO  39          2HD       PRO  39  25.858  -9.329  -2.198
  304    H    ILE  40           H        ILE  40  28.633  -9.055   2.619
  305    HA   ILE  40           HA       ILE  40  29.237  -6.355   2.619
  306    HB   ILE  40           HB       ILE  40  30.000  -8.612   4.463
  307   1HG1  ILE  40          1HG1      ILE  40  28.247  -6.797   5.695
  308   2HG1  ILE  40          2HG1      ILE  40  27.630  -6.979   4.065
  309   1HG2  ILE  40          1HG2      ILE  40  31.175  -6.024   4.355
  310   2HG2  ILE  40          2HG2      ILE  40  30.117  -6.085   5.784
  311   3HG2  ILE  40          3HG2      ILE  40  31.399  -7.302   5.574
  312   1HD1  ILE  40          1HD1      ILE  40  28.326  -9.294   5.932
  313   2HD1  ILE  40          2HD1      ILE  40  26.683  -8.690   5.610
  314   3HD1  ILE  40          3HD1      ILE  40  27.627  -9.442   4.302
  315    H    LEU  41           H        LEU  41  31.818  -8.689   3.500
  316    HA   LEU  41           HA       LEU  41  33.643  -7.070   1.905
  317   1HB   LEU  41          1HB       LEU  41  33.773  -8.054   4.470
  318   2HB   LEU  41          2HB       LEU  41  34.747  -9.207   3.579
  319    HG   LEU  41           HG       LEU  41  36.174  -7.497   4.467
  320   1HD1  LEU  41          1HD1      LEU  41  36.345  -8.368   1.973
  321   2HD1  LEU  41          2HD1      LEU  41  36.068  -6.649   1.606
  322   3HD1  LEU  41          3HD1      LEU  41  37.455  -7.132   2.612
  323   1HD2  LEU  41          1HD2      LEU  41  34.253  -5.563   3.170
  324   2HD2  LEU  41          2HD2      LEU  41  34.751  -5.670   4.875
  325   3HD2  LEU  41          3HD2      LEU  41  35.904  -5.099   3.646
  326    H    ALA  42           H        ALA  42  32.198  -8.263   0.090
  327    HA   ALA  42           HA       ALA  42  32.372  -9.553  -1.707
  328   1HB   ALA  42          1HB       ALA  42  34.925 -10.739  -0.570
  329   2HB   ALA  42          2HB       ALA  42  34.438 -10.603  -2.277
  330   3HB   ALA  42          3HB       ALA  42  34.875  -9.143  -1.357
  331    H    THR  43           H        THR  43  33.739 -11.526   1.031
  332    HA   THR  43           HA       THR  43  31.482 -13.374   0.618
  333    HB   THR  43           HB       THR  43  33.119 -15.209   1.098
  334    HG1  THR  43           HG1      THR  43  34.633 -13.954   2.342
  335   1HG2  THR  43          1HG2      THR  43  32.864 -14.426  -1.313
  336   2HG2  THR  43          2HG2      THR  43  34.232 -13.321  -1.041
  337   3HG2  THR  43          3HG2      THR  43  34.477 -15.082  -0.946
  338    H    GLN  44           H        GLN  44  34.008 -12.184   2.919
  339    HA   GLN  44           HA       GLN  44  32.086 -11.789   4.898
  340   1HB   GLN  44          1HB       GLN  44  32.723 -14.463   4.729
  341   2HB   GLN  44          2HB       GLN  44  33.906 -13.921   5.902
  342   1HG   GLN  44          1HG       GLN  44  31.443 -12.667   6.631
  343   2HG   GLN  44          2HG       GLN  44  31.044 -14.331   6.251
  344   1HE2  GLN  44          2HE2      GLN  44  30.549 -14.125   8.630
  345   2HE2  GLN  44          1HE2      GLN  44  31.790 -14.576   9.751
  346    H    GLY  45           H        GLY  45  35.516 -12.493   4.065
  347   1HA   GLY  45          1HA       GLY  45  36.443 -10.709   6.192
  348   2HA   GLY  45          2HA       GLY  45  36.722 -10.211   4.536
  349    HA   PRO  46           HA       PRO  46  39.536 -13.668   4.092
  350   1HB   PRO  46          1HB       PRO  46  40.962 -12.649   1.996
  351   2HB   PRO  46          2HB       PRO  46  39.560 -13.680   1.790
  352   1HG   PRO  46          1HG       PRO  46  39.786 -10.759   1.400
  353   2HG   PRO  46          2HG       PRO  46  38.553 -11.854   0.806
  354   1HD   PRO  46          1HD       PRO  46  38.318 -10.039   3.015
  355   2HD   PRO  46          2HD       PRO  46  37.128 -11.215   2.494
  356    H    THR  47           H        THR  47  40.149 -12.966   6.277
  357    HA   THR  47           HA       THR  47  41.610 -12.076   7.716
  358    HB   THR  47           HB       THR  47  43.513 -12.744   5.407
  359    HG1  THR  47           HG1      THR  47  43.516 -14.765   6.867
  360   1HG2  THR  47          1HG2      THR  47  44.514 -11.491   7.427
  361   2HG2  THR  47          2HG2      THR  47  43.985 -12.866   8.425
  362   3HG2  THR  47          3HG2      THR  47  45.183 -13.113   7.132
  363    H    CYS  48           H        CYS  48  40.701  -9.965   7.769
  364    HA   CYS  48           HA       CYS  48  40.811  -7.777   7.686
  365   1HB   CYS  48          1HB       CYS  48  43.700  -8.276   6.911
  366   2HB   CYS  48          2HB       CYS  48  43.045  -6.679   7.214
  367    HG   CYS  48           HG       CYS  48  44.456  -7.927   9.255
  368    H    SER  49           H        SER  49  39.593  -6.747   6.141
  369    HA   SER  49           HA       SER  49  38.721  -6.347   4.165
  370   1HB   SER  49          1HB       SER  49  40.987  -4.897   4.506
  371   2HB   SER  49          2HB       SER  49  41.426  -5.723   3.023
  372    HG   SER  49           HG       SER  49  40.188  -3.564   2.932

  No H/Q in entry =         372
  Start of MODEL   11
    1    H    MET   1           H        MET   1 -10.094  11.683 -27.590
    2    HA   MET   1           HA       MET   1 -10.281   9.671 -26.789
    3   1HB   MET   1          1HB       MET   1  -9.124   9.398 -29.390
    4   2HB   MET   1          2HB       MET   1  -8.243   8.267 -28.383
    5   1HG   MET   1          1HG       MET   1 -10.132   6.961 -27.938
    6   2HG   MET   1          2HG       MET   1 -11.239   8.312 -28.083
    7   1HE   MET   1          1HE       MET   1 -12.709   8.445 -29.520
    8   2HE   MET   1          2HE       MET   1 -12.015   9.232 -30.958
    9   3HE   MET   1          3HE       MET   1 -12.873   7.681 -31.120
   10    H    VAL   2           H        VAL   2  -8.972   7.646 -25.842
   11    HA   VAL   2           HA       VAL   2  -7.503   6.916 -24.363
   12    HB   VAL   2           HB       VAL   2  -5.692   8.869 -25.789
   13   1HG1  VAL   2          1HG1      VAL   2  -5.247   7.358 -23.347
   14   2HG1  VAL   2          2HG1      VAL   2  -4.123   6.856 -24.633
   15   3HG1  VAL   2          3HG1      VAL   2  -4.210   8.565 -24.144
   16   1HG2  VAL   2          1HG2      VAL   2  -6.057   5.864 -26.035
   17   2HG2  VAL   2          2HG2      VAL   2  -6.528   7.098 -27.229
   18   3HG2  VAL   2          3HG2      VAL   2  -4.807   6.818 -26.869
   19    H    ALA   3           H        ALA   3  -6.926   7.314 -22.194
   20    HA   ALA   3           HA       ALA   3  -6.479   9.900 -21.192
   21   1HB   ALA   3          1HB       ALA   3  -8.794  10.362 -21.605
   22   2HB   ALA   3          2HB       ALA   3  -8.650  10.030 -19.862
   23   3HB   ALA   3          3HB       ALA   3  -9.295   8.782 -20.955
   24    H    ALA   4           H        ALA   4  -5.360   9.633 -19.308
   25    HA   ALA   4           HA       ALA   4  -5.527   6.967 -18.092
   26   1HB   ALA   4          1HB       ALA   4  -3.295   8.742 -17.331
   27   2HB   ALA   4          2HB       ALA   4  -3.274   7.047 -17.874
   28   3HB   ALA   4          3HB       ALA   4  -3.352   8.364 -19.070
   29    H    ALA   5           H        ALA   5  -7.674   8.122 -17.262
   30    HA   ALA   5           HA       ALA   5  -7.072   8.893 -14.554
   31   1HB   ALA   5          1HB       ALA   5  -6.988  11.096 -15.311
   32   2HB   ALA   5          2HB       ALA   5  -8.715  10.921 -14.916
   33   3HB   ALA   5          3HB       ALA   5  -8.173  10.806 -16.608
   34    H    MET   6           H        MET   6  -9.757   8.989 -17.013
   35    HA   MET   6           HA       MET   6 -11.837   8.314 -16.861
   36   1HB   MET   6          1HB       MET   6 -10.257   6.176 -17.122
   37   2HB   MET   6          2HB       MET   6 -10.803   5.791 -15.502
   38   1HG   MET   6          1HG       MET   6 -13.218   6.085 -16.396
   39   2HG   MET   6          2HG       MET   6 -12.518   6.112 -18.003
   40   1HE   MET   6          1HE       MET   6 -12.263   4.606 -14.692
   41   2HE   MET   6          2HE       MET   6 -13.025   3.015 -14.927
   42   3HE   MET   6          3HE       MET   6 -11.253   3.171 -14.994
   43    H    LEU   7           H        LEU   7 -11.927  10.038 -14.974
   44    HA   LEU   7           HA       LEU   7 -12.476  10.610 -12.882
   45   1HB   LEU   7          1HB       LEU   7 -14.664  10.086 -12.398
   46   2HB   LEU   7          2HB       LEU   7 -14.564   9.855 -14.132
   47    HG   LEU   7           HG       LEU   7 -13.977   7.341 -12.950
   48   1HD1  LEU   7          1HD1      LEU   7 -14.971   8.143 -10.874
   49   2HD1  LEU   7          2HD1      LEU   7 -16.447   8.620 -11.747
   50   3HD1  LEU   7          3HD1      LEU   7 -15.997   6.902 -11.632
   51   1HD2  LEU   7          1HD2      LEU   7 -16.064   8.542 -14.697
   52   2HD2  LEU   7          2HD2      LEU   7 -14.986   7.152 -14.973
   53   3HD2  LEU   7          3HD2      LEU   7 -16.429   6.969 -13.947
   54    H    LEU   8           H        LEU   8 -10.185   9.212 -12.639
   55    HA   LEU   8           HA       LEU   8 -10.576   7.934 -10.094
   56   1HB   LEU   8          1HB       LEU   8 -10.895   6.178 -11.947
   57   2HB   LEU   8          2HB       LEU   8  -9.172   6.337 -12.221
   58    HG   LEU   8           HG       LEU   8  -9.175   5.929  -9.538
   59   1HD1  LEU   8          1HD1      LEU   8 -11.833   5.340 -10.289
   60   2HD1  LEU   8          2HD1      LEU   8 -11.031   3.781  -9.979
   61   3HD1  LEU   8          3HD1      LEU   8 -11.037   5.044  -8.725
   62   1HD2  LEU   8          1HD2      LEU   8  -8.573   4.426 -11.915
   63   2HD2  LEU   8          2HD2      LEU   8  -7.794   4.379 -10.315
   64   3HD2  LEU   8          3HD2      LEU   8  -9.199   3.338 -10.652
   65    H    ARG   9           H        ARG   9  -9.388   9.691  -9.265
   66    HA   ARG   9           HA       ARG   9  -6.652   9.316  -9.272
   67   1HB   ARG   9          1HB       ARG   9  -5.919  11.431 -10.407
   68   2HB   ARG   9          2HB       ARG   9  -6.673  10.313 -11.526
   69   1HG   ARG   9          1HG       ARG   9  -8.898  11.627 -10.935
   70   2HG   ARG   9          2HG       ARG   9  -7.807  12.874 -10.365
   71   1HD   ARG   9          1HD       ARG   9  -7.073  11.780 -13.031
   72   2HD   ARG   9          2HD       ARG   9  -8.641  12.564 -13.000
   73    HE   ARG   9           HE       ARG   9  -6.544  14.116 -11.661
   74   1HH1  ARG   9          1HH1      ARG   9  -5.926  16.101 -12.608
   75   2HH1  ARG   9          2HH1      ARG   9  -6.391  16.465 -14.236
   76   1HH2  ARG   9          1HH2      ARG   9  -8.111  13.433 -14.737
   77   2HH2  ARG   9          2HH2      ARG   9  -7.642  14.937 -15.455
   78    H    SER  10           H        SER  10  -8.343   9.456  -7.185
   79    HA   SER  10           HA       SER  10  -8.210  12.211  -6.250
   80   1HB   SER  10          1HB       SER  10 -10.211  10.101  -6.032
   81   2HB   SER  10          2HB       SER  10  -9.737  10.641  -4.434
   82    HG   SER  10           HG       SER  10 -11.265  12.124  -4.911
   83    H    CYS  11           H        CYS  11  -7.889   8.777  -5.075
   84    HA   CYS  11           HA       CYS  11  -6.763   7.936  -3.366
   85   1HB   CYS  11          1HB       CYS  11  -4.562   9.702  -4.488
   86   2HB   CYS  11          2HB       CYS  11  -4.324   8.320  -3.436
   87    HG   CYS  11           HG       CYS  11  -6.222   8.016  -6.090
   88    HA   PRO  12           HA       PRO  12  -7.378  11.366  -0.519
   89   1HB   PRO  12          1HB       PRO  12  -8.861   9.997   1.323
   90   2HB   PRO  12          2HB       PRO  12  -9.571  10.889  -0.008
   91   1HG   PRO  12          1HG       PRO  12  -9.258   7.966   0.307
   92   2HG   PRO  12          2HG       PRO  12 -10.317   8.846  -0.777
   93   1HD   PRO  12          1HD       PRO  12  -7.861   7.534  -1.467
   94   2HD   PRO  12          2HD       PRO  12  -8.861   8.511  -2.524
   95    H    VAL  13           H        VAL  13  -6.762  11.792   1.762
   96    HA   VAL  13           HA       VAL  13  -4.402  10.169   2.261
   97    HB   VAL  13           HB       VAL  13  -5.406  12.805   3.340
   98   1HG1  VAL  13          1HG1      VAL  13  -4.152  11.392   5.043
   99   2HG1  VAL  13          2HG1      VAL  13  -2.732  11.534   3.979
  100   3HG1  VAL  13          3HG1      VAL  13  -3.460  12.994   4.691
  101   1HG2  VAL  13          1HG2      VAL  13  -3.988  12.135   1.000
  102   2HG2  VAL  13          2HG2      VAL  13  -4.243  13.756   1.690
  103   3HG2  VAL  13          3HG2      VAL  13  -2.785  12.827   2.114
  104    H    LEU  14           H        LEU  14  -7.596  11.014   3.632
  105    HA   LEU  14           HA       LEU  14  -8.800  10.055   5.216
  106   1HB   LEU  14          1HB       LEU  14  -7.001   7.933   4.371
  107   2HB   LEU  14          2HB       LEU  14  -7.465   7.760   6.052
  108    HG   LEU  14           HG       LEU  14  -9.871   7.932   5.343
  109   1HD1  LEU  14          1HD1      LEU  14  -8.618   8.499   2.785
  110   2HD1  LEU  14          2HD1      LEU  14  -9.769   7.146   2.673
  111   3HD1  LEU  14          3HD1      LEU  14 -10.304   8.720   3.310
  112   1HD2  LEU  14          1HD2      LEU  14  -8.006   5.716   4.771
  113   2HD2  LEU  14          2HD2      LEU  14  -9.491   5.755   5.752
  114   3HD2  LEU  14          3HD2      LEU  14  -9.597   5.599   3.982
  115    H    SER  15           H        SER  15  -7.617  12.162   6.132
  116    HA   SER  15           HA       SER  15  -5.728  11.606   8.166
  117   1HB   SER  15          1HB       SER  15  -7.088  13.993   7.024
  118   2HB   SER  15          2HB       SER  15  -6.679  14.138   8.721
  119    HG   SER  15           HG       SER  15  -4.704  14.598   8.049
  120    H    GLN  16           H        GLN  16  -7.527   9.839   8.897
  121    HA   GLN  16           HA       GLN  16  -8.513  10.859  11.340
  122   1HB   GLN  16          1HB       GLN  16 -10.293  11.299   9.358
  123   2HB   GLN  16          2HB       GLN  16 -10.721   9.637   9.711
  124   1HG   GLN  16          1HG       GLN  16 -10.483  10.777  12.261
  125   2HG   GLN  16          2HG       GLN  16 -11.186  12.075  11.316
  126   1HE2  GLN  16          2HE2      GLN  16 -13.285  12.094  11.059
  127   2HE2  GLN  16          1HE2      GLN  16 -14.377  10.763  11.253
  128    H    GLY  17           H        GLY  17  -6.579   8.908  10.611
  129   1HA   GLY  17          1HA       GLY  17  -7.315   6.306  10.324
  130   2HA   GLY  17          2HA       GLY  17  -7.622   6.627  12.019
  131    HA   PRO  18           HA       PRO  18  -3.048   6.092  11.098
  132   1HB   PRO  18          1HB       PRO  18  -1.846   7.321   8.973
  133   2HB   PRO  18          2HB       PRO  18  -2.514   5.703   8.892
  134   1HG   PRO  18          1HG       PRO  18  -3.610   8.217   7.789
  135   2HG   PRO  18          2HG       PRO  18  -4.018   6.565   7.370
  136   1HD   PRO  18          1HD       PRO  18  -5.559   8.352   9.000
  137   2HD   PRO  18          2HD       PRO  18  -5.907   6.665   8.676
  138    H    THR  19           H        THR  19  -0.852   7.203  11.382
  139    HA   THR  19           HA       THR  19  -1.437   9.531  12.985
  140    HB   THR  19           HB       THR  19   1.055   7.856  12.400
  141    HG1  THR  19           HG1      THR  19   0.507   7.207  14.601
  142   1HG2  THR  19          1HG2      THR  19   0.868  10.523  13.559
  143   2HG2  THR  19          2HG2      THR  19   1.280   9.350  14.832
  144   3HG2  THR  19          3HG2      THR  19   2.308   9.491  13.386
  145    H    GLY  20           H        GLY  20   0.848   8.840  10.248
  146   1HA   GLY  20          1HA       GLY  20   0.985  11.718   9.738
  147   2HA   GLY  20          2HA       GLY  20   0.307  10.705   8.480
  148    H    LEU  21           H        LEU  21   1.684   9.717   7.042
  149    HA   LEU  21           HA       LEU  21   3.544   8.746   6.268
  150   1HB   LEU  21          1HB       LEU  21   5.368  10.312   5.967
  151   2HB   LEU  21          2HB       LEU  21   3.812  11.059   5.659
  152    HG   LEU  21           HG       LEU  21   4.997  11.370   8.388
  153   1HD1  LEU  21          1HD1      LEU  21   6.349  12.192   5.949
  154   2HD1  LEU  21          2HD1      LEU  21   5.946  13.580   6.988
  155   3HD1  LEU  21          3HD1      LEU  21   6.906  12.230   7.639
  156   1HD2  LEU  21          1HD2      LEU  21   2.848  12.502   6.856
  157   2HD2  LEU  21          2HD2      LEU  21   3.262  12.738   8.571
  158   3HD2  LEU  21          3HD2      LEU  21   3.986  13.787   7.328
  159    H    LEU  22           H        LEU  22   3.271   7.155   8.172
  160    HA   LEU  22           HA       LEU  22   5.732   7.291   9.770
  161   1HB   LEU  22          1HB       LEU  22   3.575   7.728  11.021
  162   2HB   LEU  22          2HB       LEU  22   3.129   6.068  10.677
  163    HG   LEU  22           HG       LEU  22   5.797   6.384  11.904
  164   1HD1  LEU  22          1HD1      LEU  22   4.265   8.183  12.963
  165   2HD1  LEU  22          2HD1      LEU  22   3.444   6.803  13.730
  166   3HD1  LEU  22          3HD1      LEU  22   5.176   7.086  14.028
  167   1HD2  LEU  22          1HD2      LEU  22   3.718   4.415  11.668
  168   2HD2  LEU  22          2HD2      LEU  22   5.397   4.229  12.230
  169   3HD2  LEU  22          3HD2      LEU  22   4.116   4.667  13.385
  170    H    GLY  23           H        GLY  23   3.135   5.037   8.585
  171   1HA   GLY  23          1HA       GLY  23   3.280   3.017   7.611
  172   2HA   GLY  23          2HA       GLY  23   4.568   2.686   8.753
  173    H    LYS  24           H        LYS  24   4.770   5.335   6.362
  174    HA   LYS  24           HA       LYS  24   6.187   3.781   4.443
  175   1HB   LYS  24          1HB       LYS  24   6.500   5.935   3.307
  176   2HB   LYS  24          2HB       LYS  24   4.828   5.669   3.758
  177   1HG   LYS  24          1HG       LYS  24   4.833   7.359   5.347
  178   2HG   LYS  24          2HG       LYS  24   6.507   7.089   5.792
  179   1HD   LYS  24          1HD       LYS  24   6.024   8.109   3.011
  180   2HD   LYS  24          2HD       LYS  24   5.681   9.228   4.315
  181   1HE   LYS  24          1HE       LYS  24   7.894   9.569   4.724
  182   2HE   LYS  24          2HE       LYS  24   8.216   7.849   4.806
  183    H    VAL  25           H        VAL  25   6.974   5.179   7.487
  184    HA   VAL  25           HA       VAL  25   9.814   5.255   6.750
  185    HB   VAL  25           HB       VAL  25   8.228   6.572   8.955
  186   1HG1  VAL  25          1HG1      VAL  25  10.913   5.665   9.104
  187   2HG1  VAL  25          2HG1      VAL  25  10.972   7.432   8.902
  188   3HG1  VAL  25          3HG1      VAL  25  10.042   6.720  10.242
  189   1HG2  VAL  25          1HG2      VAL  25   9.894   7.684   6.672
  190   2HG2  VAL  25          2HG2      VAL  25   8.119   7.707   6.802
  191   3HG2  VAL  25          3HG2      VAL  25   9.107   8.652   7.942
  192    H    ALA  26           H        ALA  26   7.312   3.785   8.811
  193    HA   ALA  26           HA       ALA  26   9.385   2.172  10.108
  194   1HB   ALA  26          1HB       ALA  26   7.433   1.551  11.622
  195   2HB   ALA  26          2HB       ALA  26   7.935   3.257  11.681
  196   3HB   ALA  26          3HB       ALA  26   6.482   2.788  10.766
  197    H    LYS  27           H        LYS  27   9.218   1.515   7.490
  198    HA   LYS  27           HA       LYS  27   8.411  -1.160   7.580
  199   1HB   LYS  27          1HB       LYS  27   6.153   0.077   7.429
  200   2HB   LYS  27          2HB       LYS  27   6.607   0.464   5.782
  201   1HG   LYS  27          1HG       LYS  27   7.110  -2.365   6.330
  202   2HG   LYS  27          2HG       LYS  27   5.452  -1.958   6.725
  203   1HD   LYS  27          1HD       LYS  27   6.439  -0.807   4.155
  204   2HD   LYS  27          2HD       LYS  27   6.346  -2.556   4.185
  205   1HE   LYS  27          1HE       LYS  27   4.016  -2.575   4.479
  206   2HE   LYS  27          2HE       LYS  27   3.991  -1.010   5.265
  207    H    THR  28           H        THR  28   9.004   1.778   5.583
  208    HA   THR  28           HA       THR  28  10.087   0.296   3.403
  209    HB   THR  28           HB       THR  28  10.200   3.245   4.226
  210    HG1  THR  28           HG1      THR  28   8.418   3.249   2.674
  211   1HG2  THR  28          1HG2      THR  28  11.363   1.752   1.930
  212   2HG2  THR  28          2HG2      THR  28  10.283   3.082   1.449
  213   3HG2  THR  28          3HG2      THR  28  11.695   3.412   2.480
  214    H    TYR  29           H        TYR  29  11.486   2.054   6.223
  215    HA   TYR  29           HA       TYR  29  14.155   1.669   5.424
  216   1HB   TYR  29          1HB       TYR  29  12.932   3.209   7.218
  217   2HB   TYR  29          2HB       TYR  29  13.009   1.809   8.270
  218    HD1  TYR  29           HD1      TYR  29  15.482   3.360   5.900
  219    HD2  TYR  29           HD2      TYR  29  14.620   2.126   9.905
  220    HE1  TYR  29           HE1      TYR  29  17.830   4.021   6.617
  221    HE2  TYR  29           HE2      TYR  29  16.971   2.792  10.608
  222    HH   TYR  29           HH       TYR  29  19.251   2.977   9.313
  223    H    GLN  30           H        GLN  30  11.854  -0.272   7.392
  224    HA   GLN  30           HA       GLN  30  13.651  -1.999   8.503
  225   1HB   GLN  30          1HB       GLN  30  11.194  -1.843   9.017
  226   2HB   GLN  30          2HB       GLN  30  10.844  -2.662   7.508
  227   1HG   GLN  30          1HG       GLN  30  11.147  -4.664   8.522
  228   2HG   GLN  30          2HG       GLN  30  12.819  -4.248   8.846
  229   1HE2  GLN  30          2HE2      GLN  30  11.327  -5.843  10.526
  230   2HE2  GLN  30          1HE2      GLN  30  11.059  -5.047  12.040
  231    H    PHE  31           H        PHE  31  12.787  -1.580   5.167
  232    HA   PHE  31           HA       PHE  31  13.900  -4.216   4.526
  233   1HB   PHE  31          1HB       PHE  31  11.536  -2.998   3.761
  234   2HB   PHE  31          2HB       PHE  31  12.591  -2.394   2.498
  235    HD1  PHE  31           HD1      PHE  31  14.359  -4.732   2.062
  236    HD2  PHE  31           HD2      PHE  31  10.165  -4.534   2.678
  237    HE1  PHE  31           HE1      PHE  31  14.071  -6.880   0.796
  238    HE2  PHE  31           HE2      PHE  31   9.877  -6.682   1.411
  239    HZ   PHE  31           HZ       PHE  31  11.834  -7.829   0.485
  240    H    LEU  32           H        LEU  32  13.990  -0.694   3.716
  241    HA   LEU  32           HA       LEU  32  15.960  -0.856   1.767
  242   1HB   LEU  32          1HB       LEU  32  14.387   1.084   2.781
  243   2HB   LEU  32          2HB       LEU  32  15.907   1.516   3.539
  244    HG   LEU  32           HG       LEU  32  16.115   0.960   0.649
  245   1HD1  LEU  32          1HD1      LEU  32  14.466   3.301   1.637
  246   2HD1  LEU  32          2HD1      LEU  32  15.135   3.146  -0.005
  247   3HD1  LEU  32          3HD1      LEU  32  13.932   1.972   0.580
  248   1HD2  LEU  32          1HD2      LEU  32  17.219   2.874   2.658
  249   2HD2  LEU  32          2HD2      LEU  32  18.052   1.853   1.461
  250   3HD2  LEU  32          3HD2      LEU  32  17.231   3.344   0.941
  251    H    PHE  33           H        PHE  33  16.099  -1.459   5.173
  252    HA   PHE  33           HA       PHE  33  18.793  -0.678   5.569
  253   1HB   PHE  33          1HB       PHE  33  16.853  -1.093   7.264
  254   2HB   PHE  33          2HB       PHE  33  17.091  -2.807   6.992
  255    HD1  PHE  33           HD1      PHE  33  18.036  -3.734   8.878
  256    HD2  PHE  33           HD2      PHE  33  19.508  -0.002   7.496
  257    HE1  PHE  33           HE1      PHE  33  19.804  -3.772  10.659
  258    HE2  PHE  33           HE2      PHE  33  21.275  -0.039   9.278
  259    HZ   PHE  33           HZ       PHE  33  21.402  -1.923  10.838
  260    H    SER  34           H        SER  34  17.122  -3.769   4.737
  261    HA   SER  34           HA       SER  34  19.639  -5.137   4.734
  262   1HB   SER  34          1HB       SER  34  17.880  -6.931   3.658
  263   2HB   SER  34          2HB       SER  34  18.118  -6.712   5.380
  264    HG   SER  34           HG       SER  34  16.162  -5.223   3.853
  265    H    ILE  35           H        ILE  35  17.148  -5.751   2.253
  266    HA   ILE  35           HA       ILE  35  17.392  -5.997   0.052
  267    HB   ILE  35           HB       ILE  35  17.998  -3.831  -1.099
  268   1HG1  ILE  35          1HG1      ILE  35  18.206  -2.819   1.752
  269   2HG1  ILE  35          2HG1      ILE  35  19.550  -2.998   0.641
  270   1HG2  ILE  35          1HG2      ILE  35  15.752  -4.515   0.587
  271   2HG2  ILE  35          2HG2      ILE  35  15.986  -2.751   0.524
  272   3HG2  ILE  35          3HG2      ILE  35  15.787  -3.677  -0.983
  273   1HD1  ILE  35          1HD1      ILE  35  17.434  -1.525  -0.687
  274   2HD1  ILE  35          2HD1      ILE  35  17.784  -0.773   0.888
  275   3HD1  ILE  35          3HD1      ILE  35  19.089  -0.995  -0.302
  276    H    GLY  36           H        GLY  36  18.892  -7.666  -0.198
  277   1HA   GLY  36          1HA       GLY  36  21.493  -7.856   0.230
  278   2HA   GLY  36          2HA       GLY  36  21.505  -6.794  -1.164
  279    H    ARG  37           H        ARG  37  22.357  -8.217  -2.706
  280    HA   ARG  37           HA       ARG  37  20.628 -10.490  -3.264
  281   1HB   ARG  37          1HB       ARG  37  22.155  -8.575  -5.043
  282   2HB   ARG  37          2HB       ARG  37  21.880 -10.206  -5.624
  283   1HG   ARG  37          1HG       ARG  37  19.364  -9.702  -4.821
  284   2HG   ARG  37          2HG       ARG  37  19.868  -8.036  -5.027
  285   1HD   ARG  37          1HD       ARG  37  20.115 -10.198  -7.176
  286   2HD   ARG  37          2HD       ARG  37  18.827  -9.011  -7.104
  287    HE   ARG  37           HE       ARG  37  21.629  -8.520  -7.879
  288   1HH1  ARG  37          1HH1      ARG  37  22.117  -6.467  -8.756
  289   2HH1  ARG  37          2HH1      ARG  37  20.968  -5.177  -8.632
  290   1HH2  ARG  37          1HH2      ARG  37  18.564  -7.089  -6.909
  291   2HH2  ARG  37          2HH2      ARG  37  18.933  -5.533  -7.574
  292    H    CYS  38           H        CYS  38  23.921  -9.299  -2.697
  293    HA   CYS  38           HA       CYS  38  24.989 -11.551  -1.761
  294   1HB   CYS  38          1HB       CYS  38  24.626 -11.885  -4.629
  295   2HB   CYS  38          2HB       CYS  38  26.320 -11.999  -4.194
  296    HG   CYS  38           HG       CYS  38  23.949 -13.422  -2.399
  297    HA   PRO  39           HA       PRO  39  28.267  -8.567  -3.478
  298   1HB   PRO  39          1HB       PRO  39  27.575  -6.677  -5.326
  299   2HB   PRO  39          2HB       PRO  39  28.270  -8.227  -5.755
  300   1HG   PRO  39          1HG       PRO  39  25.468  -7.320  -6.005
  301   2HG   PRO  39          2HG       PRO  39  26.260  -8.667  -6.797
  302   1HD   PRO  39          1HD       PRO  39  24.452  -8.805  -4.574
  303   2HD   PRO  39          2HD       PRO  39  25.334 -10.139  -5.293
  304    H    ILE  40           H        ILE  40  28.490  -7.725  -1.470
  305    HA   ILE  40           HA       ILE  40  27.268  -5.095  -1.218
  306    HB   ILE  40           HB       ILE  40  25.672  -6.594  -0.185
  307   1HG1  ILE  40          1HG1      ILE  40  25.792  -5.633   2.182
  308   2HG1  ILE  40          2HG1      ILE  40  27.282  -4.853   1.690
  309   1HG2  ILE  40          1HG2      ILE  40  27.984  -7.529   1.537
  310   2HG2  ILE  40          2HG2      ILE  40  26.270  -7.938   1.792
  311   3HG2  ILE  40          3HG2      ILE  40  27.106  -8.484   0.319
  312   1HD1  ILE  40          1HD1      ILE  40  25.677  -4.169  -0.423
  313   2HD1  ILE  40          2HD1      ILE  40  24.474  -4.259   0.886
  314   3HD1  ILE  40          3HD1      ILE  40  25.871  -3.166   1.034
  315    H    LEU  41           H        LEU  41  29.453  -7.626   0.162
  316    HA   LEU  41           HA       LEU  41  31.628  -5.836   0.191
  317   1HB   LEU  41          1HB       LEU  41  30.137  -5.084   2.161
  318   2HB   LEU  41          2HB       LEU  41  30.686  -6.547   2.954
  319    HG   LEU  41           HG       LEU  41  32.896  -4.977   1.844
  320   1HD1  LEU  41          1HD1      LEU  41  31.256  -3.161   2.406
  321   2HD1  LEU  41          2HD1      LEU  41  31.334  -3.702   4.100
  322   3HD1  LEU  41          3HD1      LEU  41  32.797  -3.088   3.294
  323   1HD2  LEU  41          1HD2      LEU  41  33.055  -6.906   3.435
  324   2HD2  LEU  41          2HD2      LEU  41  33.916  -5.437   3.953
  325   3HD2  LEU  41          3HD2      LEU  41  32.349  -5.857   4.688
  326    H    ALA  42           H        ALA  42  31.758  -7.998  -1.148
  327    HA   ALA  42           HA       ALA  42  33.667  -9.591   0.098
  328   1HB   ALA  42          1HB       ALA  42  31.434 -11.443  -0.322
  329   2HB   ALA  42          2HB       ALA  42  31.099 -10.261   0.966
  330   3HB   ALA  42          3HB       ALA  42  32.545 -11.295   1.060
  331    H    THR  43           H        THR  43  34.120  -8.435  -2.129
  332    HA   THR  43           HA       THR  43  33.003  -9.721  -4.428
  333    HB   THR  43           HB       THR  43  33.760  -7.334  -4.375
  334    HG1  THR  43           HG1      THR  43  34.609  -7.636  -6.455
  335   1HG2  THR  43          1HG2      THR  43  35.848  -7.876  -2.891
  336   2HG2  THR  43          2HG2      THR  43  36.602  -8.439  -4.401
  337   3HG2  THR  43          3HG2      THR  43  36.082  -6.744  -4.244
  338    H    GLN  44           H        GLN  44  36.196  -9.855  -2.729
  339    HA   GLN  44           HA       GLN  44  36.498 -12.532  -3.027
  340   1HB   GLN  44          1HB       GLN  44  36.724 -11.386  -5.565
  341   2HB   GLN  44          2HB       GLN  44  38.396 -11.561  -5.068
  342   1HG   GLN  44          1HG       GLN  44  36.587 -13.903  -4.545
  343   2HG   GLN  44          2HG       GLN  44  36.981 -13.576  -6.221
  344   1HE2  GLN  44          2HE2      GLN  44  38.655 -14.613  -6.958
  345   2HE2  GLN  44          1HE2      GLN  44  40.066 -15.104  -6.081
  346    H    GLY  45           H        GLY  45  36.999 -10.588  -1.075
  347   1HA   GLY  45          1HA       GLY  45  39.893 -10.919  -0.725
  348   2HA   GLY  45          2HA       GLY  45  38.704 -10.596   0.521
  349    HA   PRO  46           HA       PRO  46  39.964  -6.441   0.138
  350   1HB   PRO  46          1HB       PRO  46  42.561  -6.236   0.964
  351   2HB   PRO  46          2HB       PRO  46  41.214  -6.405   2.071
  352   1HG   PRO  46          1HG       PRO  46  43.215  -8.426   1.265
  353   2HG   PRO  46          2HG       PRO  46  42.146  -8.433   2.653
  354   1HD   PRO  46          1HD       PRO  46  41.833  -9.950   0.239
  355   2HD   PRO  46          2HD       PRO  46  40.706  -9.867   1.579
  356    H    THR  47           H        THR  47  42.616  -8.324  -1.227
  357    HA   THR  47           HA       THR  47  43.941  -7.874  -2.981
  358    HB   THR  47           HB       THR  47  42.599  -7.600  -5.081
  359    HG1  THR  47           HG1      THR  47  40.646  -6.570  -4.828
  360   1HG2  THR  47          1HG2      THR  47  41.216  -9.289  -2.930
  361   2HG2  THR  47          2HG2      THR  47  40.856  -9.386  -4.670
  362   3HG2  THR  47          3HG2      THR  47  42.464  -9.853  -4.067
  363    H    CYS  48           H        CYS  48  43.774  -6.013  -5.116
  364    HA   CYS  48           HA       CYS  48  43.668  -3.416  -3.880
  365   1HB   CYS  48          1HB       CYS  48  46.247  -4.791  -4.458
  366   2HB   CYS  48          2HB       CYS  48  46.128  -3.113  -4.949
  367    HG   CYS  48           HG       CYS  48  44.865  -2.555  -2.484
  368    H    SER  49           H        SER  49  45.142  -5.175  -6.717
  369    HA   SER  49           HA       SER  49  45.063  -4.768  -8.859
  370   1HB   SER  49          1HB       SER  49  42.747  -4.577  -9.838
  371   2HB   SER  49          2HB       SER  49  42.920  -5.876  -8.676
  372    HG   SER  49           HG       SER  49  41.008  -4.789  -8.161

  No H/Q in entry =         372
  Start of MODEL   12
    1    H    MET   1           H        MET   1 -30.616  11.157  -8.303
    2    HA   MET   1           HA       MET   1 -32.036  10.813  -6.693
    3   1HB   MET   1          1HB       MET   1 -31.292   7.991  -7.487
    4   2HB   MET   1          2HB       MET   1 -32.215   8.177  -6.009
    5   1HG   MET   1          1HG       MET   1 -34.028   8.139  -7.419
    6   2HG   MET   1          2HG       MET   1 -33.649   9.833  -7.660
    7   1HE   MET   1          1HE       MET   1 -35.133   9.397  -9.575
    8   2HE   MET   1          2HE       MET   1 -34.505   9.052 -11.204
    9   3HE   MET   1          3HE       MET   1 -35.076   7.721 -10.170
   10    H    VAL   2           H        VAL   2 -31.881  11.269  -4.524
   11    HA   VAL   2           HA       VAL   2 -31.045  11.426  -2.486
   12    HB   VAL   2           HB       VAL   2 -29.990   8.675  -3.154
   13   1HG1  VAL   2          1HG1      VAL   2 -28.652   9.738  -1.352
   14   2HG1  VAL   2          2HG1      VAL   2 -30.149   9.994  -0.423
   15   3HG1  VAL   2          3HG1      VAL   2 -29.595   8.340  -0.781
   16   1HG2  VAL   2          1HG2      VAL   2 -32.415   9.613  -1.585
   17   2HG2  VAL   2          2HG2      VAL   2 -32.417   8.817  -3.177
   18   3HG2  VAL   2          3HG2      VAL   2 -31.880   7.922  -1.735
   19    H    ALA   3           H        ALA   3 -29.461  12.792  -1.832
   20    HA   ALA   3           HA       ALA   3 -27.159  13.093  -3.510
   21   1HB   ALA   3          1HB       ALA   3 -27.637  14.455  -0.849
   22   2HB   ALA   3          2HB       ALA   3 -28.575  14.903  -2.294
   23   3HB   ALA   3          3HB       ALA   3 -26.804  15.080  -2.293
   24    H    ALA   4           H        ALA   4 -25.700  13.918  -0.820
   25    HA   ALA   4           HA       ALA   4 -24.185  13.032   0.527
   26   1HB   ALA   4          1HB       ALA   4 -25.649  10.380   0.354
   27   2HB   ALA   4          2HB       ALA   4 -24.700  11.035   1.710
   28   3HB   ALA   4          3HB       ALA   4 -26.278  11.750   1.300
   29    H    ALA   5           H        ALA   5 -22.747  13.369  -1.374
   30    HA   ALA   5           HA       ALA   5 -21.145  11.143  -1.822
   31   1HB   ALA   5          1HB       ALA   5 -22.146  10.075  -3.524
   32   2HB   ALA   5          2HB       ALA   5 -23.463  11.272  -3.534
   33   3HB   ALA   5          3HB       ALA   5 -22.000  11.551  -4.508
   34    H    MET   6           H        MET   6 -19.641  12.778  -1.171
   35    HA   MET   6           HA       MET   6 -19.465  15.135  -2.773
   36   1HB   MET   6          1HB       MET   6 -17.654  15.729  -1.206
   37   2HB   MET   6          2HB       MET   6 -18.979  15.048  -0.282
   38   1HG   MET   6          1HG       MET   6 -17.411  12.805  -1.008
   39   2HG   MET   6          2HG       MET   6 -16.236  14.042  -0.609
   40   1HE   MET   6          1HE       MET   6 -17.495  11.152   0.813
   41   2HE   MET   6          2HE       MET   6 -15.895  11.821   1.213
   42   3HE   MET   6          3HE       MET   6 -17.081  11.515   2.505
   43    H    LEU   7           H        LEU   7 -18.105  11.903  -2.747
   44    HA   LEU   7           HA       LEU   7 -16.353  10.984  -3.789
   45   1HB   LEU   7          1HB       LEU   7 -18.277  11.552  -5.481
   46   2HB   LEU   7          2HB       LEU   7 -17.087  12.636  -6.173
   47    HG   LEU   7           HG       LEU   7 -15.596  10.384  -6.024
   48   1HD1  LEU   7          1HD1      LEU   7 -18.220   9.470  -5.456
   49   2HD1  LEU   7          2HD1      LEU   7 -17.808   8.918  -7.098
   50   3HD1  LEU   7          3HD1      LEU   7 -16.744   8.512  -5.730
   51   1HD2  LEU   7          1HD2      LEU   7 -16.379  11.984  -7.984
   52   2HD2  LEU   7          2HD2      LEU   7 -15.651  10.392  -8.306
   53   3HD2  LEU   7          3HD2      LEU   7 -17.418  10.595  -8.381
   54    H    LEU   8           H        LEU   8 -14.930  12.316  -2.261
   55    HA   LEU   8           HA       LEU   8 -12.878  13.491  -3.855
   56   1HB   LEU   8          1HB       LEU   8 -14.624  15.327  -3.477
   57   2HB   LEU   8          2HB       LEU   8 -14.122  15.302  -1.799
   58    HG   LEU   8           HG       LEU   8 -11.993  15.602  -3.874
   59   1HD1  LEU   8          1HD1      LEU   8 -14.167  17.588  -3.367
   60   2HD1  LEU   8          2HD1      LEU   8 -12.503  18.182  -3.580
   61   3HD1  LEU   8          3HD1      LEU   8 -13.274  17.216  -4.861
   62   1HD2  LEU   8          1HD2      LEU   8 -11.789  15.490  -1.257
   63   2HD2  LEU   8          2HD2      LEU   8 -10.785  16.615  -2.204
   64   3HD2  LEU   8          3HD2      LEU   8 -12.234  17.211  -1.359
   65    H    ARG   9           H        ARG   9 -11.715  11.696  -2.995
   66    HA   ARG   9           HA       ARG   9 -10.811  12.247  -0.320
   67   1HB   ARG   9          1HB       ARG   9 -12.309   9.783  -1.165
   68   2HB   ARG   9          2HB       ARG   9 -10.908   9.517  -0.146
   69   1HG   ARG   9          1HG       ARG   9 -12.925  11.645   0.622
   70   2HG   ARG   9          2HG       ARG   9 -13.283   9.962   0.951
   71   1HD   ARG   9          1HD       ARG   9 -10.642  10.219   1.855
   72   2HD   ARG   9          2HD       ARG   9 -11.351  11.762   2.286
   73    HE   ARG   9           HE       ARG   9 -12.982   9.400   2.981
   74   1HH1  ARG   9          1HH1      ARG   9 -13.411   9.063   5.200
   75   2HH1  ARG   9          2HH1      ARG   9 -12.537   9.959   6.397
   76   1HH2  ARG   9          1HH2      ARG   9 -10.606  11.759   4.065
   77   2HH2  ARG   9          2HH2      ARG   9 -10.931  11.504   5.747
   78    H    SER  10           H        SER  10 -10.616  10.045  -3.204
   79    HA   SER  10           HA       SER  10  -8.936   9.093  -4.209
   80   1HB   SER  10          1HB       SER  10  -8.564  11.688  -4.527
   81   2HB   SER  10          2HB       SER  10  -7.164  11.445  -3.502
   82    HG   SER  10           HG       SER  10  -7.683  10.446  -6.130
   83    H    CYS  11           H        CYS  11  -9.205   8.176  -1.568
   84    HA   CYS  11           HA       CYS  11  -6.648   7.097  -1.132
   85   1HB   CYS  11          1HB       CYS  11  -6.972   9.602   0.098
   86   2HB   CYS  11          2HB       CYS  11  -7.232   8.440   1.383
   87    HG   CYS  11           HG       CYS  11  -4.726   9.162   1.406
   88    HA   PRO  12           HA       PRO  12  -9.397   4.297   0.763
   89   1HB   PRO  12          1HB       PRO  12  -7.668   2.674   2.121
   90   2HB   PRO  12          2HB       PRO  12  -7.969   2.526   0.401
   91   1HG   PRO  12          1HG       PRO  12  -5.611   3.657   1.779
   92   2HG   PRO  12          2HG       PRO  12  -5.757   3.115   0.119
   93   1HD   PRO  12          1HD       PRO  12  -5.738   5.830   1.043
   94   2HD   PRO  12          2HD       PRO  12  -6.001   5.284  -0.602
   95    H    VAL  13           H        VAL  13  -6.890   4.883   3.191
   96    HA   VAL  13           HA       VAL  13  -8.668   6.311   4.852
   97    HB   VAL  13           HB       VAL  13  -9.760   4.246   5.238
   98   1HG1  VAL  13          1HG1      VAL  13  -7.377   3.040   4.557
   99   2HG1  VAL  13          2HG1      VAL  13  -7.498   2.697   6.299
  100   3HG1  VAL  13          3HG1      VAL  13  -8.812   2.208   5.203
  101   1HG2  VAL  13          1HG2      VAL  13  -9.285   5.639   7.237
  102   2HG2  VAL  13          2HG2      VAL  13  -9.432   3.908   7.622
  103   3HG2  VAL  13          3HG2      VAL  13  -7.825   4.668   7.540
  104    H    LEU  14           H        LEU  14  -5.781   4.164   4.581
  105    HA   LEU  14           HA       LEU  14  -3.682   4.470   5.197
  106   1HB   LEU  14          1HB       LEU  14  -4.699   7.223   5.040
  107   2HB   LEU  14          2HB       LEU  14  -3.300   7.032   6.077
  108    HG   LEU  14           HG       LEU  14  -3.437   6.130   3.187
  109   1HD1  LEU  14          1HD1      LEU  14  -2.479   8.685   4.453
  110   2HD1  LEU  14          2HD1      LEU  14  -1.758   8.086   2.940
  111   3HD1  LEU  14          3HD1      LEU  14  -3.501   8.444   3.016
  112   1HD2  LEU  14          1HD2      LEU  14  -1.592   5.536   5.312
  113   2HD2  LEU  14          2HD2      LEU  14  -1.605   4.962   3.627
  114   3HD2  LEU  14          3HD2      LEU  14  -0.772   6.479   4.044
  115    H    SER  15           H        SER  15  -5.281   3.176   6.964
  116    HA   SER  15           HA       SER  15  -5.161   2.443   9.020
  117   1HB   SER  15          1HB       SER  15  -2.780   3.458   9.006
  118   2HB   SER  15          2HB       SER  15  -3.467   4.828   9.855
  119    HG   SER  15           HG       SER  15  -4.174   2.343  10.959
  120    H    GLN  16           H        GLN  16  -5.163   6.087   9.112
  121    HA   GLN  16           HA       GLN  16  -7.860   6.129   9.896
  122   1HB   GLN  16          1HB       GLN  16  -6.438   5.499  12.046
  123   2HB   GLN  16          2HB       GLN  16  -6.044   7.206  12.060
  124   1HG   GLN  16          1HG       GLN  16  -8.858   6.016  12.100
  125   2HG   GLN  16          2HG       GLN  16  -8.038   6.764  13.457
  126   1HE2  GLN  16          2HE2      GLN  16 -10.322   7.246  11.226
  127   2HE2  GLN  16          1HE2      GLN  16 -10.275   8.965  11.020
  128    H    GLY  17           H        GLY  17  -4.686   7.875  10.041
  129   1HA   GLY  17          1HA       GLY  17  -5.886  10.445   9.614
  130   2HA   GLY  17          2HA       GLY  17  -5.212   9.769   8.144
  131    HA   PRO  18           HA       PRO  18  -1.901  11.344  11.112
  132   1HB   PRO  18          1HB       PRO  18  -1.787  10.487  13.704
  133   2HB   PRO  18          2HB       PRO  18  -2.618  11.950  13.214
  134   1HG   PRO  18          1HG       PRO  18  -3.765   9.338  13.989
  135   2HG   PRO  18          2HG       PRO  18  -4.550  10.903  13.913
  136   1HD   PRO  18          1HD       PRO  18  -4.792   8.767  12.013
  137   2HD   PRO  18          2HD       PRO  18  -5.483  10.371  11.880
  138    H    THR  19           H        THR  19  -2.652   8.008  11.905
  139    HA   THR  19           HA       THR  19   0.185   7.368  11.703
  140    HB   THR  19           HB       THR  19  -2.180   5.527  12.299
  141    HG1  THR  19           HG1      THR  19  -0.553   7.373  13.895
  142   1HG2  THR  19          1HG2      THR  19   0.316   4.701  11.964
  143   2HG2  THR  19          2HG2      THR  19   0.597   5.490  13.535
  144   3HG2  THR  19          3HG2      THR  19  -0.579   4.161  13.405
  145    H    GLY  20           H        GLY  20  -1.194   8.382   9.326
  146   1HA   GLY  20          1HA       GLY  20  -1.801   7.717   7.211
  147   2HA   GLY  20          2HA       GLY  20  -1.616   6.034   7.663
  148    H    LEU  21           H        LEU  21   0.563   8.955   7.677
  149    HA   LEU  21           HA       LEU  21   2.340   7.521   5.869
  150   1HB   LEU  21          1HB       LEU  21   2.228  10.400   6.774
  151   2HB   LEU  21          2HB       LEU  21   3.474   9.746   5.729
  152    HG   LEU  21           HG       LEU  21   0.542   9.592   5.013
  153   1HD1  LEU  21          1HD1      LEU  21   2.034  11.971   5.292
  154   2HD1  LEU  21          2HD1      LEU  21   1.919  11.645   3.546
  155   3HD1  LEU  21          3HD1      LEU  21   0.440  11.753   4.530
  156   1HD2  LEU  21          1HD2      LEU  21   3.108   9.330   3.428
  157   2HD2  LEU  21          2HD2      LEU  21   1.878   8.081   3.739
  158   3HD2  LEU  21          3HD2      LEU  21   1.492   9.469   2.694
  159    H    LEU  22           H        LEU  22   2.383   6.136   8.137
  160    HA   LEU  22           HA       LEU  22   4.767   7.137   9.535
  161   1HB   LEU  22          1HB       LEU  22   3.105   7.203  11.137
  162   2HB   LEU  22          2HB       LEU  22   2.298   5.772  10.529
  163    HG   LEU  22           HG       LEU  22   3.715   5.772  12.778
  164   1HD1  LEU  22          1HD1      LEU  22   3.257   3.626  10.742
  165   2HD1  LEU  22          2HD1      LEU  22   4.222   3.258  12.192
  166   3HD1  LEU  22          3HD1      LEU  22   2.549   3.841  12.361
  167   1HD2  LEU  22          1HD2      LEU  22   5.758   6.312  11.067
  168   2HD2  LEU  22          2HD2      LEU  22   5.943   5.519  12.650
  169   3HD2  LEU  22          3HD2      LEU  22   5.856   4.538  11.168
  170    H    GLY  23           H        GLY  23   2.945   4.138   8.594
  171   1HA   GLY  23          1HA       GLY  23   3.673   2.118   7.932
  172   2HA   GLY  23          2HA       GLY  23   5.081   2.366   8.945
  173    H    LYS  24           H        LYS  24   4.353   4.719   6.399
  174    HA   LYS  24           HA       LYS  24   5.944   3.423   4.417
  175   1HB   LYS  24          1HB       LYS  24   4.513   6.054   4.662
  176   2HB   LYS  24          2HB       LYS  24   5.688   5.826   3.383
  177   1HG   LYS  24          1HG       LYS  24   4.346   3.518   3.036
  178   2HG   LYS  24          2HG       LYS  24   3.060   4.411   3.823
  179   1HD   LYS  24          1HD       LYS  24   4.340   6.084   1.799
  180   2HD   LYS  24          2HD       LYS  24   3.845   4.561   1.089
  181   1HE   LYS  24          1HE       LYS  24   1.808   5.737   2.903
  182   2HE   LYS  24          2HE       LYS  24   2.177   6.747   1.520
  183    H    VAL  25           H        VAL  25   6.578   5.283   7.257
  184    HA   VAL  25           HA       VAL  25   9.235   5.982   6.221
  185    HB   VAL  25           HB       VAL  25   7.682   7.077   8.575
  186   1HG1  VAL  25          1HG1      VAL  25  10.357   7.920   7.407
  187   2HG1  VAL  25          2HG1      VAL  25   9.466   8.782   8.684
  188   3HG1  VAL  25          3HG1      VAL  25  10.088   7.142   8.985
  189   1HG2  VAL  25          1HG2      VAL  25   8.278   8.285   5.852
  190   2HG2  VAL  25          2HG2      VAL  25   6.687   7.766   6.460
  191   3HG2  VAL  25          3HG2      VAL  25   7.524   9.142   7.218
  192    H    ALA  26           H        ALA  26   7.434   3.822   8.226
  193    HA   ALA  26           HA       ALA  26   9.695   3.288   9.969
  194   1HB   ALA  26          1HB       ALA  26   7.479   1.440  10.216
  195   2HB   ALA  26          2HB       ALA  26   8.076   2.641  11.386
  196   3HB   ALA  26          3HB       ALA  26   6.871   3.113  10.164
  197    H    LYS  27           H        LYS  27   7.492   1.307   7.852
  198    HA   LYS  27           HA       LYS  27   9.073  -0.923   7.750
  199   1HB   LYS  27          1HB       LYS  27   7.628  -1.674   6.140
  200   2HB   LYS  27          2HB       LYS  27   6.668  -0.387   6.842
  201   1HG   LYS  27          1HG       LYS  27   7.465   1.177   5.051
  202   2HG   LYS  27          2HG       LYS  27   8.412  -0.118   4.346
  203   1HD   LYS  27          1HD       LYS  27   6.534  -1.258   3.546
  204   2HD   LYS  27          2HD       LYS  27   5.488  -0.657   4.816
  205   1HE   LYS  27          1HE       LYS  27   5.419   1.577   3.776
  206   2HE   LYS  27          2HE       LYS  27   6.599   1.095   2.574
  207    H    THR  28           H        THR  28   9.158   2.004   5.626
  208    HA   THR  28           HA       THR  28  10.992   1.224   3.782
  209    HB   THR  28           HB       THR  28   9.707   3.462   4.118
  210    HG1  THR  28           HG1      THR  28  12.586   3.488   3.549
  211   1HG2  THR  28          1HG2      THR  28  10.760   3.998   6.378
  212   2HG2  THR  28          2HG2      THR  28  12.327   4.146   5.548
  213   3HG2  THR  28          3HG2      THR  28  11.003   5.270   5.157
  214    H    TYR  29           H        TYR  29  11.641   2.234   7.172
  215    HA   TYR  29           HA       TYR  29  14.438   2.235   6.900
  216   1HB   TYR  29          1HB       TYR  29  12.837   3.189   8.732
  217   2HB   TYR  29          2HB       TYR  29  12.652   1.546   9.313
  218    HD1  TYR  29           HD1      TYR  29  15.549   3.735   8.322
  219    HD2  TYR  29           HD2      TYR  29  13.858   1.092  11.231
  220    HE1  TYR  29           HE1      TYR  29  17.611   4.013   9.784
  221    HE2  TYR  29           HE2      TYR  29  15.925   1.379  12.683
  222    HH   TYR  29           HH       TYR  29  18.350   1.964  12.263
  223    H    GLN  30           H        GLN  30  12.032  -0.323   7.622
  224    HA   GLN  30           HA       GLN  30  14.228  -2.172   8.031
  225   1HB   GLN  30          1HB       GLN  30  11.709  -1.879   9.260
  226   2HB   GLN  30          2HB       GLN  30  11.531  -3.306   8.258
  227   1HG   GLN  30          1HG       GLN  30  13.801  -4.092   9.261
  228   2HG   GLN  30          2HG       GLN  30  13.593  -2.815  10.443
  229   1HE2  GLN  30          2HE2      GLN  30  13.761  -5.361  11.284
  230   2HE2  GLN  30          1HE2      GLN  30  12.242  -5.948  11.875
  231    H    PHE  31           H        PHE  31  13.369  -0.927   5.376
  232    HA   PHE  31           HA       PHE  31  12.734  -3.446   4.006
  233   1HB   PHE  31          1HB       PHE  31  11.137  -1.307   4.031
  234   2HB   PHE  31          2HB       PHE  31  12.328  -0.597   2.960
  235    HD1  PHE  31           HD1      PHE  31  13.010  -2.274   0.941
  236    HD2  PHE  31           HD2      PHE  31   9.314  -2.280   3.026
  237    HE1  PHE  31           HE1      PHE  31  11.904  -3.381  -1.022
  238    HE2  PHE  31           HE2      PHE  31   8.208  -3.386   1.063
  239    HZ   PHE  31           HZ       PHE  31   9.517  -3.924  -0.937
  240    H    LEU  32           H        LEU  32  14.586  -0.346   3.930
  241    HA   LEU  32           HA       LEU  32  16.007  -1.007   1.580
  242   1HB   LEU  32          1HB       LEU  32  15.987   1.113   3.613
  243   2HB   LEU  32          2HB       LEU  32  17.564   0.807   2.914
  244    HG   LEU  32           HG       LEU  32  15.067   1.400   1.302
  245   1HD1  LEU  32          1HD1      LEU  32  15.900   3.267   2.824
  246   2HD1  LEU  32          2HD1      LEU  32  17.354   3.309   1.798
  247   3HD1  LEU  32          3HD1      LEU  32  15.755   3.640   1.090
  248   1HD2  LEU  32          1HD2      LEU  32  17.178   0.080   0.372
  249   2HD2  LEU  32          2HD2      LEU  32  16.310   1.290  -0.603
  250   3HD2  LEU  32          3HD2      LEU  32  17.826   1.731   0.218
  251    H    PHE  33           H        PHE  33  16.257  -1.938   4.953
  252    HA   PHE  33           HA       PHE  33  18.993  -2.842   4.578
  253   1HB   PHE  33          1HB       PHE  33  17.152  -2.063   6.738
  254   2HB   PHE  33          2HB       PHE  33  17.803  -3.654   7.081
  255    HD1  PHE  33           HD1      PHE  33  18.638  -0.113   6.613
  256    HD2  PHE  33           HD2      PHE  33  20.137  -3.955   7.613
  257    HE1  PHE  33           HE1      PHE  33  20.744   0.936   7.486
  258    HE2  PHE  33           HE2      PHE  33  22.243  -2.906   8.486
  259    HZ   PHE  33           HZ       PHE  33  22.522  -0.473   8.412
  260    H    SER  34           H        SER  34  16.342  -4.001   3.314
  261    HA   SER  34           HA       SER  34  17.186  -6.704   3.683
  262   1HB   SER  34          1HB       SER  34  15.132  -5.811   5.340
  263   2HB   SER  34          2HB       SER  34  14.249  -6.515   4.000
  264    HG   SER  34           HG       SER  34  14.618  -8.203   5.428
  265    H    ILE  35           H        ILE  35  17.616  -6.879   1.468
  266    HA   ILE  35           HA       ILE  35  15.303  -7.001  -0.239
  267    HB   ILE  35           HB       ILE  35  16.399  -5.502  -1.946
  268   1HG1  ILE  35          1HG1      ILE  35  18.592  -5.502  -0.485
  269   2HG1  ILE  35          2HG1      ILE  35  18.146  -4.113  -1.457
  270   1HG2  ILE  35          1HG2      ILE  35  14.378  -4.927  -0.611
  271   2HG2  ILE  35          2HG2      ILE  35  15.437  -4.140   0.583
  272   3HG2  ILE  35          3HG2      ILE  35  15.356  -3.517  -1.082
  273   1HD1  ILE  35          1HD1      ILE  35  17.339  -4.401   1.469
  274   2HD1  ILE  35          2HD1      ILE  35  18.829  -3.582   0.943
  275   3HD1  ILE  35          3HD1      ILE  35  17.242  -2.940   0.457
  276    H    GLY  36           H        GLY  36  15.724  -9.197  -0.505
  277   1HA   GLY  36          1HA       GLY  36  18.260  -9.799  -1.904
  278   2HA   GLY  36          2HA       GLY  36  16.722 -10.579  -2.221
  279    H    ARG  37           H        ARG  37  19.352 -10.177   0.189
  280    HA   ARG  37           HA       ARG  37  20.008 -11.381   1.864
  281   1HB   ARG  37          1HB       ARG  37  17.324 -11.312   2.329
  282   2HB   ARG  37          2HB       ARG  37  17.508 -13.041   2.107
  283   1HG   ARG  37          1HG       ARG  37  18.057 -13.044   4.330
  284   2HG   ARG  37          2HG       ARG  37  19.640 -12.547   3.765
  285   1HD   ARG  37          1HD       ARG  37  19.432 -10.537   4.802
  286   2HD   ARG  37          2HD       ARG  37  17.949 -10.196   3.931
  287    HE   ARG  37           HE       ARG  37  17.040 -11.925   5.832
  288   1HH1  ARG  37          1HH1      ARG  37  16.392 -11.419   7.965
  289   2HH1  ARG  37          2HH1      ARG  37  17.076 -10.050   8.776
  290   1HH2  ARG  37          1HH2      ARG  37  19.141  -9.113   6.080
  291   2HH2  ARG  37          2HH2      ARG  37  18.650  -8.729   7.697
  292    H    CYS  38           H        CYS  38  21.592 -12.680   0.904
  293    HA   CYS  38           HA       CYS  38  22.560 -14.463   0.070
  294   1HB   CYS  38          1HB       CYS  38  20.100 -15.814   1.197
  295   2HB   CYS  38          2HB       CYS  38  21.356 -16.722   0.379
  296    HG   CYS  38           HG       CYS  38  21.475 -16.700   3.113
  297    HA   PRO  39           HA       PRO  39  20.418 -14.116  -3.843
  298   1HB   PRO  39          1HB       PRO  39  22.642 -13.746  -5.387
  299   2HB   PRO  39          2HB       PRO  39  21.748 -12.425  -4.663
  300   1HG   PRO  39          1HG       PRO  39  24.352 -13.566  -3.852
  301   2HG   PRO  39          2HG       PRO  39  23.654 -12.015  -3.430
  302   1HD   PRO  39          1HD       PRO  39  23.798 -14.342  -1.760
  303   2HD   PRO  39          2HD       PRO  39  22.999 -12.829  -1.383
  304    H    ILE  40           H        ILE  40  20.079 -15.460  -5.669
  305    HA   ILE  40           HA       ILE  40  21.102 -18.110  -5.093
  306    HB   ILE  40           HB       ILE  40  19.130 -17.275  -7.215
  307   1HG1  ILE  40          1HG1      ILE  40  17.759 -18.382  -5.009
  308   2HG1  ILE  40          2HG1      ILE  40  18.836 -17.173  -4.339
  309   1HG2  ILE  40          1HG2      ILE  40  20.327 -19.611  -7.096
  310   2HG2  ILE  40          2HG2      ILE  40  19.147 -19.914  -5.798
  311   3HG2  ILE  40          3HG2      ILE  40  18.583 -19.495  -7.433
  312   1HD1  ILE  40          1HD1      ILE  40  17.002 -16.656  -6.723
  313   2HD1  ILE  40          2HD1      ILE  40  16.584 -16.262  -5.038
  314   3HD1  ILE  40          3HD1      ILE  40  17.958 -15.451  -5.827
  315    H    LEU  41           H        LEU  41  23.184 -16.432  -5.804
  316    HA   LEU  41           HA       LEU  41  24.944 -16.423  -7.142
  317   1HB   LEU  41          1HB       LEU  41  23.916 -18.920  -7.529
  318   2HB   LEU  41          2HB       LEU  41  23.930 -18.302  -9.169
  319    HG   LEU  41           HG       LEU  41  25.962 -19.529  -8.725
  320   1HD1  LEU  41          1HD1      LEU  41  25.894 -16.780  -9.559
  321   2HD1  LEU  41          2HD1      LEU  41  27.444 -17.127  -8.756
  322   3HD1  LEU  41          3HD1      LEU  41  26.918 -18.115 -10.139
  323   1HD2  LEU  41          1HD2      LEU  41  25.895 -18.062  -6.199
  324   2HD2  LEU  41          2HD2      LEU  41  26.693 -19.597  -6.619
  325   3HD2  LEU  41          3HD2      LEU  41  27.498 -18.049  -6.971
  326    H    ALA  42           H        ALA  42  23.339 -14.316  -7.367
  327    HA   ALA  42           HA       ALA  42  22.757 -12.638  -8.684
  328   1HB   ALA  42          1HB       ALA  42  24.920 -14.013 -10.088
  329   2HB   ALA  42          2HB       ALA  42  24.612 -12.269  -9.908
  330   3HB   ALA  42          3HB       ALA  42  23.825 -13.181 -11.219
  331    H    THR  43           H        THR  43  20.513 -13.165  -8.591
  332    HA   THR  43           HA       THR  43  19.249 -15.078 -10.135
  333    HB   THR  43           HB       THR  43  17.238 -13.503  -9.722
  334    HG1  THR  43           HG1      THR  43  18.888 -11.641  -9.754
  335   1HG2  THR  43          1HG2      THR  43  19.002 -14.769  -7.718
  336   2HG2  THR  43          2HG2      THR  43  18.131 -13.365  -7.058
  337   3HG2  THR  43          3HG2      THR  43  17.224 -14.718  -7.776
  338    H    GLN  44           H        GLN  44  20.507 -11.895 -11.046
  339    HA   GLN  44           HA       GLN  44  20.474 -12.527 -13.717
  340   1HB   GLN  44          1HB       GLN  44  17.893 -11.660 -12.797
  341   2HB   GLN  44          2HB       GLN  44  18.551 -10.375 -13.790
  342   1HG   GLN  44          1HG       GLN  44  18.601 -13.281 -14.701
  343   2HG   GLN  44          2HG       GLN  44  17.213 -12.251 -14.992
  344   1HE2  GLN  44          2HE2      GLN  44  17.692 -10.098 -15.989
  345   2HE2  GLN  44          1HE2      GLN  44  18.856 -10.033 -17.270
  346    H    GLY  45           H        GLY  45  22.208 -11.402 -11.716
  347   1HA   GLY  45          1HA       GLY  45  23.621  -9.519 -12.968
  348   2HA   GLY  45          2HA       GLY  45  23.472  -9.577 -11.223
  349    HA   PRO  46           HA       PRO  46  20.305  -6.383 -11.616
  350   1HB   PRO  46          1HB       PRO  46  20.182  -5.693  -8.974
  351   2HB   PRO  46          2HB       PRO  46  19.112  -6.872  -9.708
  352   1HG   PRO  46          1HG       PRO  46  21.425  -7.326  -7.923
  353   2HG   PRO  46          2HG       PRO  46  20.111  -8.417  -8.317
  354   1HD   PRO  46          1HD       PRO  46  22.786  -8.509  -9.349
  355   2HD   PRO  46          2HD       PRO  46  21.442  -9.526  -9.828
  356    H    THR  47           H        THR  47  23.297  -6.362  -9.813
  357    HA   THR  47           HA       THR  47  23.596  -3.538 -10.595
  358    HB   THR  47           HB       THR  47  23.557  -4.067  -8.125
  359    HG1  THR  47           HG1      THR  47  26.211  -3.459  -9.214
  360   1HG2  THR  47          1HG2      THR  47  25.984  -5.738  -8.939
  361   2HG2  THR  47          2HG2      THR  47  25.776  -5.104  -7.288
  362   3HG2  THR  47          3HG2      THR  47  24.591  -6.252  -7.957
  363    H    CYS  48           H        CYS  48  25.755  -2.818 -11.251
  364    HA   CYS  48           HA       CYS  48  27.154  -5.007 -12.609
  365   1HB   CYS  48          1HB       CYS  48  26.700  -2.148 -13.508
  366   2HB   CYS  48          2HB       CYS  48  27.873  -3.214 -14.256
  367    HG   CYS  48           HG       CYS  48  26.312  -4.071 -15.814
  368    H    SER  49           H        SER  49  29.011  -5.432 -11.456
  369    HA   SER  49           HA       SER  49  30.859  -5.151 -10.355
  370   1HB   SER  49          1HB       SER  49  31.104  -3.418 -12.410
  371   2HB   SER  49          2HB       SER  49  31.165  -2.255 -11.101
  372    HG   SER  49           HG       SER  49  33.290  -3.059 -11.702

  No H/Q in entry =         372
  Start of MODEL   13
    1    H    MET   1           H        MET   1 -31.417 -10.969  -4.366
    2    HA   MET   1           HA       MET   1 -30.953  -8.352  -5.568
    3   1HB   MET   1          1HB       MET   1 -33.162 -10.286  -5.653
    4   2HB   MET   1          2HB       MET   1 -33.741  -8.752  -5.034
    5   1HG   MET   1          1HG       MET   1 -32.663  -7.602  -7.029
    6   2HG   MET   1          2HG       MET   1 -32.243  -9.180  -7.664
    7   1HE   MET   1          1HE       MET   1 -34.786  -6.588  -6.888
    8   2HE   MET   1          2HE       MET   1 -36.360  -7.235  -7.409
    9   3HE   MET   1          3HE       MET   1 -35.643  -7.770  -5.871
   10    H    VAL   2           H        VAL   2 -31.189 -10.021  -2.614
   11    HA   VAL   2           HA       VAL   2 -31.636  -7.497  -1.228
   12    HB   VAL   2           HB       VAL   2 -33.072  -8.751   0.424
   13   1HG1  VAL   2          1HG1      VAL   2 -33.896  -7.116  -1.319
   14   2HG1  VAL   2          2HG1      VAL   2 -34.298  -8.518  -2.340
   15   3HG1  VAL   2          3HG1      VAL   2 -35.098  -8.306  -0.763
   16   1HG2  VAL   2          1HG2      VAL   2 -32.959 -10.802  -1.788
   17   2HG2  VAL   2          2HG2      VAL   2 -32.743 -11.024  -0.035
   18   3HG2  VAL   2          3HG2      VAL   2 -34.362 -10.693  -0.697
   19    H    ALA   3           H        ALA   3 -30.746  -7.520   0.981
   20    HA   ALA   3           HA       ALA   3 -28.938  -7.840   2.246
   21   1HB   ALA   3          1HB       ALA   3 -30.560 -10.287   2.172
   22   2HB   ALA   3          2HB       ALA   3 -28.878 -10.592   2.669
   23   3HB   ALA   3          3HB       ALA   3 -29.871  -9.417   3.564
   24    H    ALA   4           H        ALA   4 -27.249  -7.186   0.844
   25    HA   ALA   4           HA       ALA   4 -26.069  -9.241  -0.840
   26   1HB   ALA   4          1HB       ALA   4 -24.738  -7.372  -1.719
   27   2HB   ALA   4          2HB       ALA   4 -26.468  -6.956  -1.721
   28   3HB   ALA   4          3HB       ALA   4 -25.395  -6.294  -0.464
   29    H    ALA   5           H        ALA   5 -25.877 -10.107   1.723
   30    HA   ALA   5           HA       ALA   5 -24.248 -11.027   2.966
   31   1HB   ALA   5          1HB       ALA   5 -22.155  -9.057   2.093
   32   2HB   ALA   5          2HB       ALA   5 -22.731 -10.260   0.914
   33   3HB   ALA   5          3HB       ALA   5 -22.005 -10.795   2.449
   34    H    MET   6           H        MET   6 -24.045  -7.427   2.595
   35    HA   MET   6           HA       MET   6 -23.731  -5.861   4.116
   36   1HB   MET   6          1HB       MET   6 -26.258  -6.881   4.211
   37   2HB   MET   6          2HB       MET   6 -25.797  -7.206   5.870
   38   1HG   MET   6          1HG       MET   6 -25.375  -4.451   4.648
   39   2HG   MET   6          2HG       MET   6 -26.925  -4.905   5.327
   40   1HE   MET   6          1HE       MET   6 -27.584  -4.972   7.368
   41   2HE   MET   6          2HE       MET   6 -26.659  -6.175   8.298
   42   3HE   MET   6          3HE       MET   6 -26.727  -4.484   8.850
   43    H    LEU   7           H        LEU   7 -21.613  -7.365   4.586
   44    HA   LEU   7           HA       LEU   7 -21.637  -8.434   7.259
   45   1HB   LEU   7          1HB       LEU   7 -19.823  -8.414   4.929
   46   2HB   LEU   7          2HB       LEU   7 -19.036  -8.430   6.494
   47    HG   LEU   7           HG       LEU   7 -20.566 -10.428   7.052
   48   1HD1  LEU   7          1HD1      LEU   7 -21.766  -9.814   4.672
   49   2HD1  LEU   7          2HD1      LEU   7 -20.685 -11.148   4.204
   50   3HD1  LEU   7          3HD1      LEU   7 -21.876 -11.382   5.507
   51   1HD2  LEU   7          1HD2      LEU   7 -18.116 -10.527   6.634
   52   2HD2  LEU   7          2HD2      LEU   7 -18.989 -11.997   6.139
   53   3HD2  LEU   7          3HD2      LEU   7 -18.459 -10.821   4.912
   54    H    LEU   8           H        LEU   8 -19.581  -5.932   5.602
   55    HA   LEU   8           HA       LEU   8 -20.096  -4.030   7.642
   56   1HB   LEU   8          1HB       LEU   8 -18.656  -5.472   8.940
   57   2HB   LEU   8          2HB       LEU   8 -17.437  -5.461   7.681
   58    HG   LEU   8           HG       LEU   8 -17.915  -2.747   8.348
   59   1HD1  LEU   8          1HD1      LEU   8 -18.965  -3.740  10.431
   60   2HD1  LEU   8          2HD1      LEU   8 -17.341  -4.332  10.856
   61   3HD1  LEU   8          3HD1      LEU   8 -17.637  -2.584  10.689
   62   1HD2  LEU   8          1HD2      LEU   8 -15.798  -4.238   7.690
   63   2HD2  LEU   8          2HD2      LEU   8 -15.652  -2.658   8.498
   64   3HD2  LEU   8          3HD2      LEU   8 -15.538  -4.159   9.449
   65    H    ARG   9           H        ARG   9 -20.564  -2.577   6.007
   66    HA   ARG   9           HA       ARG   9 -18.239  -1.701   4.554
   67   1HB   ARG   9          1HB       ARG   9 -20.704  -2.895   3.318
   68   2HB   ARG   9          2HB       ARG   9 -20.080  -1.453   2.542
   69   1HG   ARG   9          1HG       ARG   9 -18.144  -3.664   3.255
   70   2HG   ARG   9          2HG       ARG   9 -19.183  -3.877   1.860
   71   1HD   ARG   9          1HD       ARG   9 -18.253  -2.007   0.715
   72   2HD   ARG   9          2HD       ARG   9 -17.618  -1.297   2.185
   73    HE   ARG   9           HE       ARG   9 -16.447  -3.910   1.667
   74   1HH1  ARG   9          1HH1      ARG   9 -14.255  -4.020   1.033
   75   2HH1  ARG   9          2HH1      ARG   9 -13.451  -2.601   0.449
   76   1HH2  ARG   9          1HH2      ARG   9 -16.261  -0.506   0.794
   77   2HH2  ARG   9          2HH2      ARG   9 -14.600  -0.589   0.313
   78    H    SER  10           H        SER  10 -19.077  -0.303   6.661
   79    HA   SER  10           HA       SER  10 -20.054   2.071   5.512
   80   1HB   SER  10          1HB       SER  10 -22.062   0.327   6.431
   81   2HB   SER  10          2HB       SER  10 -21.869   1.470   7.745
   82    HG   SER  10           HG       SER  10 -23.416   2.005   5.890
   83    H    CYS  11           H        CYS  11 -19.941   0.283   8.686
   84    HA   CYS  11           HA       CYS  11 -19.114   2.565  10.112
   85   1HB   CYS  11          1HB       CYS  11 -19.620  -0.281  10.690
   86   2HB   CYS  11          2HB       CYS  11 -18.356   0.426  11.677
   87    HG   CYS  11           HG       CYS  11 -20.895   0.446  12.727
   88    HA   PRO  12           HA       PRO  12 -14.840   2.351   9.293
   89   1HB   PRO  12          1HB       PRO  12 -13.799   3.636  11.469
   90   2HB   PRO  12          2HB       PRO  12 -14.495   4.480  10.100
   91   1HG   PRO  12          1HG       PRO  12 -15.641   4.053  12.791
   92   2HG   PRO  12          2HG       PRO  12 -16.106   5.224  11.573
   93   1HD   PRO  12          1HD       PRO  12 -17.481   2.794  12.232
   94   2HD   PRO  12          2HD       PRO  12 -17.880   3.906  10.937
   95    H    VAL  13           H        VAL  13 -12.666   1.578   9.986
   96    HA   VAL  13           HA       VAL  13 -12.868  -0.316  12.177
   97    HB   VAL  13           HB       VAL  13 -13.495  -1.851  10.616
   98   1HG1  VAL  13          1HG1      VAL  13 -12.339   0.058   8.707
   99   2HG1  VAL  13          2HG1      VAL  13 -12.086  -1.644   8.251
  100   3HG1  VAL  13          3HG1      VAL  13 -13.734  -1.035   8.537
  101   1HG2  VAL  13          1HG2      VAL  13 -11.188  -2.364  11.620
  102   2HG2  VAL  13          2HG2      VAL  13 -11.686  -3.300  10.191
  103   3HG2  VAL  13          3HG2      VAL  13 -10.533  -1.955  10.016
  104    H    LEU  14           H        LEU  14 -10.895   1.102   9.494
  105    HA   LEU  14           HA       LEU  14  -8.855   1.950   9.488
  106   1HB   LEU  14          1HB       LEU  14  -9.616   2.163  12.314
  107   2HB   LEU  14          2HB       LEU  14  -7.884   2.116  12.049
  108    HG   LEU  14           HG       LEU  14  -8.978   3.940  10.151
  109   1HD1  LEU  14          1HD1      LEU  14 -10.763   3.808  12.216
  110   2HD1  LEU  14          2HD1      LEU  14  -9.679   5.113  12.756
  111   3HD1  LEU  14          3HD1      LEU  14 -10.495   5.229  11.178
  112   1HD2  LEU  14          1HD2      LEU  14  -6.702   3.796  11.396
  113   2HD2  LEU  14          2HD2      LEU  14  -7.373   5.390  10.976
  114   3HD2  LEU  14          3HD2      LEU  14  -7.516   4.774  12.640
  115    H    SER  15           H        SER  15  -8.943  -0.564   8.701
  116    HA   SER  15           HA       SER  15  -7.295  -2.205  10.355
  117   1HB   SER  15          1HB       SER  15  -9.246  -2.838   8.640
  118   2HB   SER  15          2HB       SER  15  -7.933  -2.867   7.481
  119    HG   SER  15           HG       SER  15  -8.599  -4.732   9.382
  120    H    GLN  16           H        GLN  16  -5.794   0.009   9.992
  121    HA   GLN  16           HA       GLN  16  -3.877   0.759   9.307
  122   1HB   GLN  16          1HB       GLN  16  -3.620  -2.130   9.076
  123   2HB   GLN  16          2HB       GLN  16  -2.646  -1.352   7.844
  124   1HG   GLN  16          1HG       GLN  16  -1.773   0.198   9.743
  125   2HG   GLN  16          2HG       GLN  16  -2.511  -0.935  10.858
  126   1HE2  GLN  16          2HE2      GLN  16  -0.342  -1.232  11.630
  127   2HE2  GLN  16          1HE2      GLN  16   0.730  -2.349  10.852
  128    H    GLY  17           H        GLY  17  -5.436   2.004   7.807
  129   1HA   GLY  17          1HA       GLY  17  -6.272   1.842   5.424
  130   2HA   GLY  17          2HA       GLY  17  -4.597   1.528   5.015
  131    HA   PRO  18           HA       PRO  18  -5.449   6.100   5.454
  132   1HB   PRO  18          1HB       PRO  18  -7.196   7.090   7.308
  133   2HB   PRO  18          2HB       PRO  18  -7.675   6.642   5.683
  134   1HG   PRO  18          1HG       PRO  18  -8.155   5.202   8.220
  135   2HG   PRO  18          2HG       PRO  18  -8.967   5.011   6.679
  136   1HD   PRO  18          1HD       PRO  18  -6.977   3.274   7.798
  137   2HD   PRO  18          2HD       PRO  18  -7.704   3.148   6.208
  138    H    THR  19           H        THR  19  -4.809   8.117   6.693
  139    HA   THR  19           HA       THR  19  -3.136   8.955   7.928
  140    HB   THR  19           HB       THR  19  -4.623   7.292  10.030
  141    HG1  THR  19           HG1      THR  19  -4.850   9.940   8.792
  142   1HG2  THR  19          1HG2      THR  19  -2.339   8.983  10.318
  143   2HG2  THR  19          2HG2      THR  19  -3.740   9.963  10.812
  144   3HG2  THR  19          3HG2      THR  19  -3.414   8.409  11.615
  145    H    GLY  20           H        GLY  20  -2.466   6.493   6.476
  146   1HA   GLY  20          1HA       GLY  20  -1.022   4.708   6.591
  147   2HA   GLY  20          2HA       GLY  20  -0.738   5.020   8.292
  148    H    LEU  21           H        LEU  21   0.012   7.742   8.299
  149    HA   LEU  21           HA       LEU  21   2.231   7.899   6.412
  150   1HB   LEU  21          1HB       LEU  21   0.824   9.892   8.172
  151   2HB   LEU  21          2HB       LEU  21   2.385  10.243   7.457
  152    HG   LEU  21           HG       LEU  21   0.907   9.357   5.287
  153   1HD1  LEU  21          1HD1      LEU  21  -1.042   9.678   7.103
  154   2HD1  LEU  21          2HD1      LEU  21  -0.941  11.346   6.490
  155   3HD1  LEU  21          3HD1      LEU  21  -1.260  10.003   5.367
  156   1HD2  LEU  21          1HD2      LEU  21   2.053  11.851   6.281
  157   2HD2  LEU  21          2HD2      LEU  21   2.046  11.160   4.640
  158   3HD2  LEU  21          3HD2      LEU  21   0.654  12.111   5.211
  159    H    LEU  22           H        LEU  22   2.788   5.840   7.986
  160    HA   LEU  22           HA       LEU  22   4.837   6.938   9.737
  161   1HB   LEU  22          1HB       LEU  22   2.557   6.240  10.902
  162   2HB   LEU  22          2HB       LEU  22   3.250   4.636  10.770
  163    HG   LEU  22           HG       LEU  22   4.594   6.990  12.127
  164   1HD1  LEU  22          1HD1      LEU  22   2.490   5.263  13.045
  165   2HD1  LEU  22          2HD1      LEU  22   3.967   4.964  13.992
  166   3HD1  LEU  22          3HD1      LEU  22   3.297   6.610  13.883
  167   1HD2  LEU  22          1HD2      LEU  22   5.546   4.366  11.311
  168   2HD2  LEU  22          2HD2      LEU  22   6.445   5.772  11.930
  169   3HD2  LEU  22          3HD2      LEU  22   5.706   4.619  13.066
  170    H    GLY  23           H        GLY  23   3.366   3.758   8.754
  171   1HA   GLY  23          1HA       GLY  23   4.280   1.960   7.764
  172   2HA   GLY  23          2HA       GLY  23   5.718   2.305   8.704
  173    H    LYS  24           H        LYS  24   4.639   4.863   6.563
  174    HA   LYS  24           HA       LYS  24   6.006   3.973   4.248
  175   1HB   LYS  24          1HB       LYS  24   4.062   5.715   4.580
  176   2HB   LYS  24          2HB       LYS  24   5.372   6.858   4.796
  177   1HG   LYS  24          1HG       LYS  24   5.844   6.874   2.572
  178   2HG   LYS  24          2HG       LYS  24   5.916   5.124   2.505
  179   1HD   LYS  24          1HD       LYS  24   3.622   4.906   1.996
  180   2HD   LYS  24          2HD       LYS  24   3.207   6.452   2.708
  181   1HE   LYS  24          1HE       LYS  24   3.066   6.842   0.363
  182   2HE   LYS  24          2HE       LYS  24   4.609   7.538   0.816
  183    H    VAL  25           H        VAL  25   7.111   4.963   7.287
  184    HA   VAL  25           HA       VAL  25   9.671   5.772   6.093
  185    HB   VAL  25           HB       VAL  25   8.202   6.866   8.487
  186   1HG1  VAL  25          1HG1      VAL  25  11.150   6.955   7.851
  187   2HG1  VAL  25          2HG1      VAL  25  10.364   8.272   8.754
  188   3HG1  VAL  25          3HG1      VAL  25  10.341   6.613   9.399
  189   1HG2  VAL  25          1HG2      VAL  25   9.222   7.997   5.881
  190   2HG2  VAL  25          2HG2      VAL  25   7.587   8.079   6.581
  191   3HG2  VAL  25          3HG2      VAL  25   8.906   9.046   7.284
  192    H    ALA  26           H        ALA  26   7.896   4.157   8.778
  193    HA   ALA  26           HA       ALA  26  10.245   3.111   9.970
  194   1HB   ALA  26          1HB       ALA  26   8.711   1.927  11.385
  195   2HB   ALA  26          2HB       ALA  26   7.398   2.071  10.192
  196   3HB   ALA  26          3HB       ALA  26   7.978   3.515  11.055
  197    H    LYS  27           H        LYS  27   7.541   1.434   8.200
  198    HA   LYS  27           HA       LYS  27   8.906  -0.944   7.864
  199   1HB   LYS  27          1HB       LYS  27   6.440  -0.500   7.576
  200   2HB   LYS  27          2HB       LYS  27   6.800   0.203   6.012
  201   1HG   LYS  27          1HG       LYS  27   6.597  -1.915   5.195
  202   2HG   LYS  27          2HG       LYS  27   8.190  -2.194   5.869
  203   1HD   LYS  27          1HD       LYS  27   6.238  -2.462   7.994
  204   2HD   LYS  27          2HD       LYS  27   5.708  -3.426   6.629
  205   1HE   LYS  27          1HE       LYS  27   8.615  -3.590   7.425
  206   2HE   LYS  27          2HE       LYS  27   7.440  -4.391   8.449
  207    H    THR  28           H        THR  28   8.700   1.952   5.704
  208    HA   THR  28           HA       THR  28  10.076   1.001   3.544
  209    HB   THR  28           HB       THR  28  10.828   3.530   3.457
  210    HG1  THR  28           HG1      THR  28  10.618   4.071   5.658
  211   1HG2  THR  28          1HG2      THR  28   8.561   2.425   2.566
  212   2HG2  THR  28          2HG2      THR  28   7.852   3.262   3.969
  213   3HG2  THR  28          3HG2      THR  28   8.691   4.195   2.706
  214    H    TYR  29           H        TYR  29  11.351   1.886   6.748
  215    HA   TYR  29           HA       TYR  29  14.073   1.773   5.837
  216   1HB   TYR  29          1HB       TYR  29  12.817   3.054   7.836
  217   2HB   TYR  29          2HB       TYR  29  12.980   1.532   8.690
  218    HD1  TYR  29           HD1      TYR  29  14.594   4.604   7.792
  219    HD2  TYR  29           HD2      TYR  29  15.354   0.565   8.983
  220    HE1  TYR  29           HE1      TYR  29  16.945   5.251   8.514
  221    HE2  TYR  29           HE2      TYR  29  17.702   1.226   9.700
  222    HH   TYR  29           HH       TYR  29  19.334   3.003   9.093
  223    H    GLN  30           H        GLN  30  11.736  -0.367   7.541
  224    HA   GLN  30           HA       GLN  30  13.604  -2.269   8.302
  225   1HB   GLN  30          1HB       GLN  30  10.986  -1.885   8.830
  226   2HB   GLN  30          2HB       GLN  30  10.808  -3.118   7.598
  227   1HG   GLN  30          1HG       GLN  30  12.018  -4.737   8.851
  228   2HG   GLN  30          2HG       GLN  30  12.796  -3.526   9.851
  229   1HE2  GLN  30          2HE2      GLN  30  12.176  -3.929  11.844
  230   2HE2  GLN  30          1HE2      GLN  30  10.548  -4.088  12.413
  231    H    PHE  31           H        PHE  31  12.527  -1.338   5.188
  232    HA   PHE  31           HA       PHE  31  13.193  -3.976   4.096
  233   1HB   PHE  31          1HB       PHE  31  11.028  -2.227   3.707
  234   2HB   PHE  31          2HB       PHE  31  12.078  -1.786   2.376
  235    HD1  PHE  31           HD1      PHE  31  12.821  -3.618   0.775
  236    HD2  PHE  31           HD2      PHE  31   9.703  -4.166   3.601
  237    HE1  PHE  31           HE1      PHE  31  11.969  -5.576  -0.545
  238    HE2  PHE  31           HE2      PHE  31   8.851  -6.124   2.281
  239    HZ   PHE  31           HZ       PHE  31   9.994  -6.805   0.224
  240    H    LEU  32           H        LEU  32  14.135  -0.590   4.330
  241    HA   LEU  32           HA       LEU  32  15.990  -0.882   2.105
  242   1HB   LEU  32          1HB       LEU  32  15.290   1.493   3.837
  243   2HB   LEU  32          2HB       LEU  32  16.414   1.517   2.493
  244    HG   LEU  32           HG       LEU  32  13.592   0.601   2.029
  245   1HD1  LEU  32          1HD1      LEU  32  14.085   3.044   3.240
  246   2HD1  LEU  32          2HD1      LEU  32  13.964   3.446   1.510
  247   3HD1  LEU  32          3HD1      LEU  32  12.631   2.589   2.320
  248   1HD2  LEU  32          1HD2      LEU  32  15.684   0.658   0.371
  249   2HD2  LEU  32          2HD2      LEU  32  14.016   0.961  -0.173
  250   3HD2  LEU  32          3HD2      LEU  32  15.112   2.328   0.140
  251    H    PHE  33           H        PHE  33  16.096  -2.354   4.814
  252    HA   PHE  33           HA       PHE  33  18.809  -1.454   5.490
  253   1HB   PHE  33          1HB       PHE  33  16.832  -1.114   7.184
  254   2HB   PHE  33          2HB       PHE  33  16.750  -2.862   7.284
  255    HD1  PHE  33           HD1      PHE  33  19.372  -0.202   7.499
  256    HD2  PHE  33           HD2      PHE  33  17.821  -3.825   9.073
  257    HE1  PHE  33           HE1      PHE  33  21.139  -0.184   9.282
  258    HE2  PHE  33           HE2      PHE  33  19.588  -3.806  10.856
  259    HZ   PHE  33           HZ       PHE  33  21.226  -1.986  10.939
  260    H    SER  34           H        SER  34  16.496  -4.257   5.583
  261    HA   SER  34           HA       SER  34  18.661  -6.083   5.763
  262   1HB   SER  34          1HB       SER  34  15.683  -6.205   5.737
  263   2HB   SER  34          2HB       SER  34  16.483  -7.622   5.088
  264    HG   SER  34           HG       SER  34  16.938  -6.442   7.696
  265    H    ILE  35           H        ILE  35  19.433  -4.711   3.627
  266    HA   ILE  35           HA       ILE  35  18.465  -6.221   1.302
  267    HB   ILE  35           HB       ILE  35  19.542  -3.430   1.599
  268   1HG1  ILE  35          1HG1      ILE  35  17.080  -4.342   0.112
  269   2HG1  ILE  35          2HG1      ILE  35  17.049  -4.075   1.844
  270   1HG2  ILE  35          1HG2      ILE  35  19.378  -5.112  -0.908
  271   2HG2  ILE  35          2HG2      ILE  35  19.425  -3.333  -0.924
  272   3HG2  ILE  35          3HG2      ILE  35  20.787  -4.252  -0.241
  273   1HD1  ILE  35          1HD1      ILE  35  17.998  -2.001  -0.187
  274   2HD1  ILE  35          2HD1      ILE  35  16.364  -2.050   0.519
  275   3HD1  ILE  35          3HD1      ILE  35  17.776  -1.749   1.561
  276    H    GLY  36           H        GLY  36  21.226  -5.275   3.320
  277   1HA   GLY  36          1HA       GLY  36  22.873  -7.196   1.806
  278   2HA   GLY  36          2HA       GLY  36  23.056  -6.778   3.498
  279    H    ARG  37           H        ARG  37  23.696  -4.466   4.028
  280    HA   ARG  37           HA       ARG  37  24.721  -2.891   1.941
  281   1HB   ARG  37          1HB       ARG  37  24.567  -2.766   4.924
  282   2HB   ARG  37          2HB       ARG  37  25.912  -1.887   4.226
  283   1HG   ARG  37          1HG       ARG  37  24.553  -0.251   3.412
  284   2HG   ARG  37          2HG       ARG  37  23.449  -1.413   2.703
  285   1HD   ARG  37          1HD       ARG  37  22.173  -1.619   4.713
  286   2HD   ARG  37          2HD       ARG  37  23.453  -0.953   5.706
  287    HE   ARG  37           HE       ARG  37  22.738   1.213   5.155
  288   1HH1  ARG  37          1HH1      ARG  37  21.343   2.751   4.201
  289   2HH1  ARG  37          2HH1      ARG  37  20.262   2.272   2.936
  290   1HH2  ARG  37          1HH2      ARG  37  21.288  -1.098   2.933
  291   2HH2  ARG  37          2HH2      ARG  37  20.230   0.067   2.209
  292    H    CYS  38           H        CYS  38  26.709  -3.561   4.845
  293    HA   CYS  38           HA       CYS  38  29.063  -3.733   3.388
  294   1HB   CYS  38          1HB       CYS  38  28.366  -3.574   6.079
  295   2HB   CYS  38          2HB       CYS  38  29.154  -5.135   5.959
  296    HG   CYS  38           HG       CYS  38  31.293  -4.313   4.714
  297    HA   PRO  39           HA       PRO  39  28.464  -8.427   3.844
  298   1HB   PRO  39          1HB       PRO  39  26.127  -9.425   4.851
  299   2HB   PRO  39          2HB       PRO  39  27.560  -9.170   5.827
  300   1HG   PRO  39          1HG       PRO  39  25.075  -7.573   5.731
  301   2HG   PRO  39          2HG       PRO  39  26.316  -7.599   6.968
  302   1HD   PRO  39          1HD       PRO  39  25.926  -5.579   4.968
  303   2HD   PRO  39          2HD       PRO  39  27.235  -5.665   6.130
  304    H    ILE  40           H        ILE  40  28.561  -8.144   1.593
  305    HA   ILE  40           HA       ILE  40  26.066  -7.919   0.215
  306    HB   ILE  40           HB       ILE  40  28.211  -6.902  -0.523
  307   1HG1  ILE  40          1HG1      ILE  40  27.417  -8.665  -2.776
  308   2HG1  ILE  40          2HG1      ILE  40  26.116  -7.789  -1.994
  309   1HG2  ILE  40          1HG2      ILE  40  29.522  -9.054   0.058
  310   2HG2  ILE  40          2HG2      ILE  40  29.022  -9.609  -1.558
  311   3HG2  ILE  40          3HG2      ILE  40  29.989  -8.124  -1.387
  312   1HD1  ILE  40          1HD1      ILE  40  27.613  -5.681  -2.205
  313   2HD1  ILE  40          2HD1      ILE  40  28.604  -6.651  -3.320
  314   3HD1  ILE  40          3HD1      ILE  40  26.898  -6.321  -3.705
  315    H    LEU  41           H        LEU  41  28.411 -10.508   1.041
  316    HA   LEU  41           HA       LEU  41  26.336 -12.445   0.536
  317   1HB   LEU  41          1HB       LEU  41  28.008 -11.872  -1.555
  318   2HB   LEU  41          2HB       LEU  41  28.848 -13.204  -0.786
  319    HG   LEU  41           HG       LEU  41  27.439 -14.071  -2.519
  320   1HD1  LEU  41          1HD1      LEU  41  27.503 -15.063  -0.015
  321   2HD1  LEU  41          2HD1      LEU  41  25.747 -14.845  -0.210
  322   3HD1  LEU  41          3HD1      LEU  41  26.654 -15.848  -1.368
  323   1HD2  LEU  41          1HD2      LEU  41  25.748 -11.970  -1.956
  324   2HD2  LEU  41          2HD2      LEU  41  25.409 -13.320  -3.066
  325   3HD2  LEU  41          3HD2      LEU  41  24.829 -13.383  -1.384
  326    H    ALA  42           H        ALA  42  26.576 -12.411   2.914
  327    HA   ALA  42           HA       ALA  42  27.237 -13.445   4.761
  328   1HB   ALA  42          1HB       ALA  42  29.458 -14.997   3.543
  329   2HB   ALA  42          2HB       ALA  42  28.101 -15.543   4.558
  330   3HB   ALA  42          3HB       ALA  42  27.855 -15.264   2.817
  331    H    THR  43           H        THR  43  30.242 -13.057   2.740
  332    HA   THR  43           HA       THR  43  32.085 -11.855   3.076
  333    HB   THR  43           HB       THR  43  30.597 -10.347   5.276
  334    HG1  THR  43           HG1      THR  43  29.188 -10.313   3.493
  335   1HG2  THR  43          1HG2      THR  43  32.890  -9.811   3.378
  336   2HG2  THR  43          2HG2      THR  43  31.795  -8.464   3.772
  337   3HG2  THR  43          3HG2      THR  43  32.688  -9.294   5.069
  338    H    GLN  44           H        GLN  44  30.604 -12.303   6.363
  339    HA   GLN  44           HA       GLN  44  32.796 -14.043   6.990
  340   1HB   GLN  44          1HB       GLN  44  33.359 -11.496   7.517
  341   2HB   GLN  44          2HB       GLN  44  32.339 -11.762   8.916
  342   1HG   GLN  44          1HG       GLN  44  33.952 -14.034   8.936
  343   2HG   GLN  44          2HG       GLN  44  35.053 -12.810   8.335
  344   1HE2  GLN  44          2HE2      GLN  44  33.069 -13.880  10.977
  345   2HE2  GLN  44          1HE2      GLN  44  33.676 -12.817  12.203
  346    H    GLY  45           H        GLY  45  30.353 -15.008   6.676
  347   1HA   GLY  45          1HA       GLY  45  28.448 -15.792   7.645
  348   2HA   GLY  45          2HA       GLY  45  28.712 -14.759   9.036
  349    HA   PRO  46           HA       PRO  46  29.963 -18.389  11.089
  350   1HB   PRO  46          1HB       PRO  46  27.762 -19.977  11.411
  351   2HB   PRO  46          2HB       PRO  46  28.069 -18.555  12.388
  352   1HG   PRO  46          1HG       PRO  46  26.130 -18.906  10.184
  353   2HG   PRO  46          2HG       PRO  46  26.164 -17.675  11.430
  354   1HD   PRO  46          1HD       PRO  46  26.960 -17.367   8.691
  355   2HD   PRO  46          2HD       PRO  46  27.102 -16.172   9.965
  356    H    THR  47           H        THR  47  27.784 -19.655   8.604
  357    HA   THR  47           HA       THR  47  29.997 -21.193   7.545
  358    HB   THR  47           HB       THR  47  27.562 -22.413   8.927
  359    HG1  THR  47           HG1      THR  47  29.562 -23.679   9.707
  360   1HG2  THR  47          1HG2      THR  47  27.921 -23.513   6.663
  361   2HG2  THR  47          2HG2      THR  47  29.611 -23.816   7.134
  362   3HG2  THR  47          3HG2      THR  47  28.284 -24.591   8.032
  363    H    CYS  48           H        CYS  48  26.376 -20.930   7.427
  364    HA   CYS  48           HA       CYS  48  25.027 -20.463   5.758
  365   1HB   CYS  48          1HB       CYS  48  27.493 -19.104   4.882
  366   2HB   CYS  48          2HB       CYS  48  26.415 -19.529   3.567
  367    HG   CYS  48           HG       CYS  48  24.254 -18.698   5.218
  368    H    SER  49           H        SER  49  24.925 -22.922   5.808
  369    HA   SER  49           HA       SER  49  25.002 -24.898   4.895
  370   1HB   SER  49          1HB       SER  49  23.536 -23.736   3.268
  371   2HB   SER  49          2HB       SER  49  24.930 -23.277   2.311
  372    HG   SER  49           HG       SER  49  23.515 -25.437   1.951

  No H/Q in entry =         372
  Start of MODEL   14
    1    H    MET   1           H        MET   1 -14.306  18.609  42.917
    2    HA   MET   1           HA       MET   1 -15.888  19.592  41.201
    3   1HB   MET   1          1HB       MET   1 -14.284  20.715  43.151
    4   2HB   MET   1          2HB       MET   1 -13.679  21.561  41.741
    5   1HG   MET   1          1HG       MET   1 -16.664  21.371  42.332
    6   2HG   MET   1          2HG       MET   1 -15.670  22.644  43.012
    7   1HE   MET   1          1HE       MET   1 -17.615  24.109  41.685
    8   2HE   MET   1          2HE       MET   1 -16.016  24.835  41.969
    9   3HE   MET   1          3HE       MET   1 -16.816  25.035  40.392
   10    H    VAL   2           H        VAL   2 -12.781  18.572  40.240
   11    HA   VAL   2           HA       VAL   2 -11.499  18.935  38.440
   12    HB   VAL   2           HB       VAL   2 -12.589  18.352  36.417
   13   1HG1  VAL   2          1HG1      VAL   2 -13.970  17.113  38.817
   14   2HG1  VAL   2          2HG1      VAL   2 -14.105  16.479  37.160
   15   3HG1  VAL   2          3HG1      VAL   2 -12.520  16.527  37.968
   16   1HG2  VAL   2          1HG2      VAL   2 -14.383  20.153  36.661
   17   2HG2  VAL   2          2HG2      VAL   2 -14.892  18.612  35.929
   18   3HG2  VAL   2          3HG2      VAL   2 -15.295  18.967  37.626
   19    H    ALA   3           H        ALA   3 -12.167  20.250  35.920
   20    HA   ALA   3           HA       ALA   3 -12.385  22.274  34.983
   21   1HB   ALA   3          1HB       ALA   3 -14.051  22.659  36.993
   22   2HB   ALA   3          2HB       ALA   3 -12.726  23.655  37.640
   23   3HB   ALA   3          3HB       ALA   3 -13.444  24.048  36.060
   24    H    ALA   4           H        ALA   4 -10.020  21.445  34.854
   25    HA   ALA   4           HA       ALA   4  -8.315  23.586  35.126
   26   1HB   ALA   4          1HB       ALA   4  -8.224  23.510  37.458
   27   2HB   ALA   4          2HB       ALA   4  -6.843  22.481  37.007
   28   3HB   ALA   4          3HB       ALA   4  -8.380  21.737  37.509
   29    H    ALA   5           H        ALA   5  -8.501  22.341  32.946
   30    HA   ALA   5           HA       ALA   5  -6.073  21.026  32.525
   31   1HB   ALA   5          1HB       ALA   5  -8.518  19.281  32.900
   32   2HB   ALA   5          2HB       ALA   5  -6.879  19.069  33.562
   33   3HB   ALA   5          3HB       ALA   5  -7.184  18.782  31.832
   34    H    MET   6           H        MET   6  -9.492  20.701  31.313
   35    HA   MET   6           HA       MET   6  -9.106  22.470  29.219
   36   1HB   MET   6          1HB       MET   6  -9.128  20.707  27.335
   37   2HB   MET   6          2HB       MET   6  -7.611  20.844  28.202
   38   1HG   MET   6          1HG       MET   6  -8.629  18.946  29.755
   39   2HG   MET   6          2HG       MET   6  -9.710  18.664  28.404
   40   1HE   MET   6          1HE       MET   6  -6.306  19.715  29.228
   41   2HE   MET   6          2HE       MET   6  -5.291  18.306  28.836
   42   3HE   MET   6          3HE       MET   6  -5.552  19.580  27.621
   43    H    LEU   7           H        LEU   7 -11.106  22.145  31.110
   44    HA   LEU   7           HA       LEU   7 -13.255  21.634  31.457
   45   1HB   LEU   7          1HB       LEU   7 -14.721  22.474  29.596
   46   2HB   LEU   7          2HB       LEU   7 -13.547  23.600  30.247
   47    HG   LEU   7           HG       LEU   7 -12.987  22.012  27.741
   48   1HD1  LEU   7          1HD1      LEU   7 -15.158  23.606  27.857
   49   2HD1  LEU   7          2HD1      LEU   7 -13.914  24.811  27.445
   50   3HD1  LEU   7          3HD1      LEU   7 -14.161  23.393  26.397
   51   1HD2  LEU   7          1HD2      LEU   7 -11.475  23.812  29.323
   52   2HD2  LEU   7          2HD2      LEU   7 -11.039  23.068  27.766
   53   3HD2  LEU   7          3HD2      LEU   7 -11.862  24.646  27.799
   54    H    LEU   8           H        LEU   8 -11.983  19.262  31.133
   55    HA   LEU   8           HA       LEU   8 -12.673  17.138  30.902
   56   1HB   LEU   8          1HB       LEU   8 -15.018  18.323  30.472
   57   2HB   LEU   8          2HB       LEU   8 -14.737  17.742  28.843
   58    HG   LEU   8           HG       LEU   8 -14.354  15.431  29.898
   59   1HD1  LEU   8          1HD1      LEU   8 -14.281  16.649  32.254
   60   2HD1  LEU   8          2HD1      LEU   8 -16.034  16.347  32.188
   61   3HD1  LEU   8          3HD1      LEU   8 -14.891  14.987  32.068
   62   1HD2  LEU   8          1HD2      LEU   8 -16.532  16.588  28.793
   63   2HD2  LEU   8          2HD2      LEU   8 -16.472  14.896  29.343
   64   3HD2  LEU   8          3HD2      LEU   8 -17.183  16.148  30.390
   65    H    ARG   9           H        ARG   9 -12.977  18.970  27.776
   66    HA   ARG   9           HA       ARG   9 -10.666  17.555  26.855
   67   1HB   ARG   9          1HB       ARG   9 -13.445  17.069  25.804
   68   2HB   ARG   9          2HB       ARG   9 -12.168  17.187  24.609
   69   1HG   ARG   9          1HG       ARG   9 -11.320  15.518  26.865
   70   2HG   ARG   9          2HG       ARG   9 -12.823  14.924  26.189
   71   1HD   ARG   9          1HD       ARG   9 -11.815  14.865  23.919
   72   2HD   ARG   9          2HD       ARG   9 -10.326  15.551  24.539
   73    HE   ARG   9           HE       ARG   9 -11.018  13.166  26.019
   74   1HH1  ARG   9          1HH1      ARG   9  -9.828  11.246  25.673
   75   2HH1  ARG   9          2HH1      ARG   9  -8.870  11.068  24.242
   76   1HH2  ARG   9          1HH2      ARG   9  -9.697  14.233  22.937
   77   2HH2  ARG   9          2HH2      ARG   9  -8.795  12.778  22.674
   78    H    SER  10           H        SER  10 -13.451  19.326  25.307
   79    HA   SER  10           HA       SER  10 -13.566  21.363  24.490
   80   1HB   SER  10          1HB       SER  10 -11.381  21.705  26.170
   81   2HB   SER  10          2HB       SER  10 -10.706  22.140  24.612
   82    HG   SER  10           HG       SER  10 -12.169  23.811  24.384
   83    H    CYS  11           H        CYS  11 -11.668  18.775  23.502
   84    HA   CYS  11           HA       CYS  11 -10.720  19.997  21.065
   85   1HB   CYS  11          1HB       CYS  11  -9.563  17.969  20.652
   86   2HB   CYS  11          2HB       CYS  11  -9.383  18.289  22.366
   87    HG   CYS  11           HG       CYS  11  -9.878  15.671  21.511
   88    HA   PRO  12           HA       PRO  12 -14.214  18.719  18.796
   89   1HB   PRO  12          1HB       PRO  12 -13.205  18.585  16.260
   90   2HB   PRO  12          2HB       PRO  12 -13.670  20.090  17.028
   91   1HG   PRO  12          1HG       PRO  12 -10.958  19.018  16.540
   92   2HG   PRO  12          2HG       PRO  12 -11.439  20.663  16.905
   93   1HD   PRO  12          1HD       PRO  12 -10.239  18.786  18.711
   94   2HD   PRO  12          2HD       PRO  12 -10.826  20.390  19.104
   95    H    VAL  13           H        VAL  13 -11.446  16.947  17.479
   96    HA   VAL  13           HA       VAL  13 -12.693  14.484  18.296
   97    HB   VAL  13           HB       VAL  13 -12.393  15.254  15.391
   98   1HG1  VAL  13          1HG1      VAL  13 -12.538  12.554  16.700
   99   2HG1  VAL  13          2HG1      VAL  13 -13.320  12.806  15.122
  100   3HG1  VAL  13          3HG1      VAL  13 -11.573  13.094  15.305
  101   1HG2  VAL  13          1HG2      VAL  13 -14.742  14.476  17.137
  102   2HG2  VAL  13          2HG2      VAL  13 -14.501  15.972  16.203
  103   3HG2  VAL  13          3HG2      VAL  13 -14.810  14.436  15.359
  104    H    LEU  14           H        LEU  14 -10.327  15.388  15.700
  105    HA   LEU  14           HA       LEU  14  -8.106  14.795  17.386
  106   1HB   LEU  14          1HB       LEU  14  -9.312  12.573  16.363
  107   2HB   LEU  14          2HB       LEU  14  -8.136  12.925  15.112
  108    HG   LEU  14           HG       LEU  14  -7.173  11.361  16.641
  109   1HD1  LEU  14          1HD1      LEU  14  -5.794  13.328  15.749
  110   2HD1  LEU  14          2HD1      LEU  14  -5.883  13.978  17.404
  111   3HD1  LEU  14          3HD1      LEU  14  -5.125  12.395  17.109
  112   1HD2  LEU  14          1HD2      LEU  14  -8.073  13.278  18.788
  113   2HD2  LEU  14          2HD2      LEU  14  -8.435  11.545  18.606
  114   3HD2  LEU  14          3HD2      LEU  14  -6.799  12.068  19.073
  115    H    SER  15           H        SER  15  -8.668  17.153  16.221
  116    HA   SER  15           HA       SER  15  -7.516  18.662  15.104
  117   1HB   SER  15          1HB       SER  15  -5.507  18.221  14.044
  118   2HB   SER  15          2HB       SER  15  -5.654  16.753  14.990
  119    HG   SER  15           HG       SER  15  -5.183  16.642  12.538
  120    H    GLN  16           H        GLN  16  -8.399  15.778  13.076
  121    HA   GLN  16           HA       GLN  16 -10.390  17.266  11.759
  122   1HB   GLN  16          1HB       GLN  16  -7.997  17.841  10.666
  123   2HB   GLN  16          2HB       GLN  16  -8.296  16.343   9.807
  124   1HG   GLN  16          1HG       GLN  16  -9.196  18.176   8.475
  125   2HG   GLN  16          2HG       GLN  16 -10.540  17.232   9.085
  126   1HE2  GLN  16          2HE2      GLN  16 -12.147  18.308   9.922
  127   2HE2  GLN  16          1HE2      GLN  16 -12.100  19.882  10.641
  128    H    GLY  17           H        GLY  17  -8.143  14.611  10.689
  129   1HA   GLY  17          1HA       GLY  17 -10.208  12.913   9.828
  130   2HA   GLY  17          2HA       GLY  17  -9.789  12.482  11.474
  131    HA   PRO  18           HA       PRO  18  -6.576  11.033   8.358
  132   1HB   PRO  18          1HB       PRO  18  -5.564  12.706   6.449
  133   2HB   PRO  18          2HB       PRO  18  -6.941  11.658   6.172
  134   1HG   PRO  18          1HG       PRO  18  -6.895  14.583   6.604
  135   2HG   PRO  18          2HG       PRO  18  -8.168  13.594   5.916
  136   1HD   PRO  18          1HD       PRO  18  -8.095  14.703   8.560
  137   2HD   PRO  18          2HD       PRO  18  -9.310  13.620   7.911
  138    H    THR  19           H        THR  19  -4.088  11.729   7.443
  139    HA   THR  19           HA       THR  19  -2.095  12.532   8.094
  140    HB   THR  19           HB       THR  19  -3.306  13.883  10.527
  141    HG1  THR  19           HG1      THR  19  -3.348  14.747   7.723
  142   1HG2  THR  19          1HG2      THR  19  -0.793  14.034   9.676
  143   2HG2  THR  19          2HG2      THR  19  -1.482  15.090   8.420
  144   3HG2  THR  19          3HG2      THR  19  -1.643  15.528  10.138
  145    H    GLY  20           H        GLY  20  -0.857  10.862   8.663
  146   1HA   GLY  20          1HA       GLY  20  -1.566   9.386  11.105
  147   2HA   GLY  20          2HA       GLY  20   0.035  10.086  10.964
  148    H    LEU  21           H        LEU  21   1.433   9.416   9.112
  149    HA   LEU  21           HA       LEU  21   1.003   6.602   8.575
  150   1HB   LEU  21          1HB       LEU  21   0.882   8.745   6.513
  151   2HB   LEU  21          2HB       LEU  21   1.744   7.274   6.106
  152    HG   LEU  21           HG       LEU  21  -0.981   6.965   7.279
  153   1HD1  LEU  21          1HD1      LEU  21  -0.782   8.862   5.369
  154   2HD1  LEU  21          2HD1      LEU  21  -0.955   7.412   4.351
  155   3HD1  LEU  21          3HD1      LEU  21  -2.194   7.797   5.569
  156   1HD2  LEU  21          1HD2      LEU  21   0.914   5.303   6.058
  157   2HD2  LEU  21          2HD2      LEU  21  -0.758   4.895   6.509
  158   3HD2  LEU  21          3HD2      LEU  21  -0.397   5.478   4.867
  159    H    LEU  22           H        LEU  22   2.752   6.451  10.132
  160    HA   LEU  22           HA       LEU  22   5.295   7.493   9.116
  161   1HB   LEU  22          1HB       LEU  22   5.789   8.001  11.198
  162   2HB   LEU  22          2HB       LEU  22   4.135   7.614  11.626
  163    HG   LEU  22           HG       LEU  22   5.596   6.493  13.150
  164   1HD1  LEU  22          1HD1      LEU  22   3.619   5.226  11.742
  165   2HD1  LEU  22          2HD1      LEU  22   4.982   4.094  11.570
  166   3HD1  LEU  22          3HD1      LEU  22   4.431   4.583  13.190
  167   1HD2  LEU  22          1HD2      LEU  22   7.369   6.336  11.008
  168   2HD2  LEU  22          2HD2      LEU  22   7.603   5.679  12.646
  169   3HD2  LEU  22          3HD2      LEU  22   6.941   4.644  11.358
  170    H    GLY  23           H        GLY  23   3.346   4.632   9.552
  171   1HA   GLY  23          1HA       GLY  23   3.732   2.455   9.153
  172   2HA   GLY  23          2HA       GLY  23   5.346   2.681   9.797
  173    H    LYS  24           H        LYS  24   4.283   4.679   7.072
  174    HA   LYS  24           HA       LYS  24   5.277   2.898   5.075
  175   1HB   LYS  24          1HB       LYS  24   3.424   4.743   4.941
  176   2HB   LYS  24          2HB       LYS  24   4.764   5.832   4.650
  177   1HG   LYS  24          1HG       LYS  24   5.529   4.117   2.835
  178   2HG   LYS  24          2HG       LYS  24   3.932   3.415   2.998
  179   1HD   LYS  24          1HD       LYS  24   4.068   6.398   2.641
  180   2HD   LYS  24          2HD       LYS  24   4.484   5.417   1.249
  181   1HE   LYS  24          1HE       LYS  24   2.129   4.245   2.388
  182   2HE   LYS  24          2HE       LYS  24   1.854   5.976   2.356
  183    H    VAL  25           H        VAL  25   6.507   5.677   6.964
  184    HA   VAL  25           HA       VAL  25   8.926   5.783   5.405
  185    HB   VAL  25           HB       VAL  25   8.034   7.177   7.936
  186   1HG1  VAL  25          1HG1      VAL  25  10.644   7.011   6.677
  187   2HG1  VAL  25          2HG1      VAL  25  10.041   8.686   6.681
  188   3HG1  VAL  25          3HG1      VAL  25  10.167   7.782   8.209
  189   1HG2  VAL  25          1HG2      VAL  25   6.934   7.553   5.541
  190   2HG2  VAL  25          2HG2      VAL  25   7.251   8.908   6.652
  191   3HG2  VAL  25          3HG2      VAL  25   8.375   8.573   5.312
  192    H    ALA  26           H        ALA  26   7.640   3.917   8.012
  193    HA   ALA  26           HA       ALA  26  10.241   3.405   9.183
  194   1HB   ALA  26          1HB       ALA  26   8.473   1.643  10.334
  195   2HB   ALA  26          2HB       ALA  26   8.783   3.295  10.920
  196   3HB   ALA  26          3HB       ALA  26   7.391   2.974   9.859
  197    H    LYS  27           H        LYS  27   7.637   1.637   7.376
  198    HA   LYS  27           HA       LYS  27   8.967  -0.791   7.233
  199   1HB   LYS  27          1HB       LYS  27   6.721   0.537   5.808
  200   2HB   LYS  27          2HB       LYS  27   7.475  -0.808   4.977
  201   1HG   LYS  27          1HG       LYS  27   7.280  -1.997   7.362
  202   2HG   LYS  27          2HG       LYS  27   6.042  -0.789   7.640
  203   1HD   LYS  27          1HD       LYS  27   5.809  -2.101   4.993
  204   2HD   LYS  27          2HD       LYS  27   5.667  -3.224   6.330
  205   1HE   LYS  27          1HE       LYS  27   3.580  -2.477   6.825
  206   2HE   LYS  27          2HE       LYS  27   4.143  -0.821   6.939
  207    H    THR  28           H        THR  28   8.907   1.966   4.871
  208    HA   THR  28           HA       THR  28  10.497   0.939   2.926
  209    HB   THR  28           HB       THR  28   9.318   3.215   3.075
  210    HG1  THR  28           HG1      THR  28  11.270   4.171   1.881
  211   1HG2  THR  28          1HG2      THR  28  11.840   3.768   4.699
  212   2HG2  THR  28          2HG2      THR  28  11.049   5.052   3.754
  213   3HG2  THR  28          3HG2      THR  28  10.167   4.246   5.072
  214    H    TYR  29           H        TYR  29  11.458   1.883   6.203
  215    HA   TYR  29           HA       TYR  29  14.266   1.681   5.502
  216   1HB   TYR  29          1HB       TYR  29  12.655   3.070   7.354
  217   2HB   TYR  29          2HB       TYR  29  13.303   1.778   8.345
  218    HD1  TYR  29           HD1      TYR  29  15.325   2.132   9.434
  219    HD2  TYR  29           HD2      TYR  29  14.483   4.345   5.871
  220    HE1  TYR  29           HE1      TYR  29  17.477   3.453   9.737
  221    HE2  TYR  29           HE2      TYR  29  16.637   5.659   6.186
  222    HH   TYR  29           HH       TYR  29  18.994   4.953   7.527
  223    H    GLN  30           H        GLN  30  11.674  -0.184   7.104
  224    HA   GLN  30           HA       GLN  30  13.404  -2.010   8.330
  225   1HB   GLN  30          1HB       GLN  30  10.638  -1.487   8.304
  226   2HB   GLN  30          2HB       GLN  30  10.767  -3.100   7.632
  227   1HG   GLN  30          1HG       GLN  30  12.387  -3.583   9.641
  228   2HG   GLN  30          2HG       GLN  30  11.732  -2.116  10.341
  229   1HE2  GLN  30          2HE2      GLN  30  11.198  -5.415   9.539
  230   2HE2  GLN  30          1HE2      GLN  30   9.628  -5.616  10.243
  231    H    PHE  31           H        PHE  31  12.779  -1.411   5.061
  232    HA   PHE  31           HA       PHE  31  13.318  -4.210   4.358
  233   1HB   PHE  31          1HB       PHE  31  11.356  -2.337   3.526
  234   2HB   PHE  31          2HB       PHE  31  12.547  -2.253   2.243
  235    HD1  PHE  31           HD1      PHE  31  13.436  -4.813   1.640
  236    HD2  PHE  31           HD2      PHE  31   9.587  -3.720   3.053
  237    HE1  PHE  31           HE1      PHE  31  12.468  -6.884   0.604
  238    HE2  PHE  31           HE2      PHE  31   8.619  -5.791   2.017
  239    HZ   PHE  31           HZ       PHE  31  10.071  -7.348   0.805
  240    H    LEU  32           H        LEU  32  14.384  -0.830   4.148
  241    HA   LEU  32           HA       LEU  32  16.504  -1.592   2.298
  242   1HB   LEU  32          1HB       LEU  32  15.202   0.946   3.132
  243   2HB   LEU  32          2HB       LEU  32  16.895   1.023   2.687
  244    HG   LEU  32           HG       LEU  32  16.429   0.162   0.478
  245   1HD1  LEU  32          1HD1      LEU  32  13.926  -0.696   1.710
  246   2HD1  LEU  32          2HD1      LEU  32  13.682   0.117   0.146
  247   3HD1  LEU  32          3HD1      LEU  32  14.758  -1.296   0.256
  248   1HD2  LEU  32          1HD2      LEU  32  14.827   2.496   1.458
  249   2HD2  LEU  32          2HD2      LEU  32  16.249   2.451   0.389
  250   3HD2  LEU  32          3HD2      LEU  32  14.654   1.960  -0.230
  251    H    PHE  33           H        PHE  33  16.206  -2.454   5.233
  252    HA   PHE  33           HA       PHE  33  18.700  -1.252   6.203
  253   1HB   PHE  33          1HB       PHE  33  16.749  -0.925   7.686
  254   2HB   PHE  33          2HB       PHE  33  16.268  -2.600   7.506
  255    HD1  PHE  33           HD1      PHE  33  19.184  -0.599   8.710
  256    HD2  PHE  33           HD2      PHE  33  16.791  -4.068   9.207
  257    HE1  PHE  33           HE1      PHE  33  20.473  -1.191  10.780
  258    HE2  PHE  33           HE2      PHE  33  18.080  -4.661  11.277
  259    HZ   PHE  33           HZ       PHE  33  19.906  -3.215  12.039
  260    H    SER  34           H        SER  34  16.853  -4.325   5.766
  261    HA   SER  34           HA       SER  34  19.222  -5.794   6.504
  262   1HB   SER  34          1HB       SER  34  17.779  -7.772   6.430
  263   2HB   SER  34          2HB       SER  34  17.001  -6.512   7.368
  264    HG   SER  34           HG       SER  34  16.136  -6.050   4.923
  265    H    ILE  35           H        ILE  35  20.159  -4.603   4.421
  266    HA   ILE  35           HA       ILE  35  19.516  -6.245   2.074
  267    HB   ILE  35           HB       ILE  35  20.603  -4.352   0.817
  268   1HG1  ILE  35          1HG1      ILE  35  20.254  -2.887   3.450
  269   2HG1  ILE  35          2HG1      ILE  35  21.791  -3.357   2.750
  270   1HG2  ILE  35          1HG2      ILE  35  17.980  -4.711   1.756
  271   2HG2  ILE  35          2HG2      ILE  35  18.328  -2.976   1.942
  272   3HG2  ILE  35          3HG2      ILE  35  18.516  -3.757   0.353
  273   1HD1  ILE  35          1HD1      ILE  35  19.796  -1.664   1.199
  274   2HD1  ILE  35          2HD1      ILE  35  20.993  -0.941   2.300
  275   3HD1  ILE  35          3HD1      ILE  35  21.535  -1.879   0.887
  276    H    GLY  36           H        GLY  36  21.953  -5.256   4.424
  277   1HA   GLY  36          1HA       GLY  36  24.236  -6.088   2.948
  278   2HA   GLY  36          2HA       GLY  36  23.637  -7.396   3.949
  279    H    ARG  37           H        ARG  37  24.527  -7.522   5.958
  280    HA   ARG  37           HA       ARG  37  24.545  -5.501   7.753
  281   1HB   ARG  37          1HB       ARG  37  25.409  -8.187   7.658
  282   2HB   ARG  37          2HB       ARG  37  26.856  -7.305   8.103
  283   1HG   ARG  37          1HG       ARG  37  24.480  -6.346   9.568
  284   2HG   ARG  37          2HG       ARG  37  24.772  -8.054   9.833
  285   1HD   ARG  37          1HD       ARG  37  27.063  -6.066  10.027
  286   2HD   ARG  37          2HD       ARG  37  25.977  -6.295  11.384
  287    HE   ARG  37           HE       ARG  37  27.959  -8.217  10.382
  288   1HH1  ARG  37          1HH1      ARG  37  28.283 -10.125  11.597
  289   2HH1  ARG  37          2HH1      ARG  37  27.144 -10.575  12.822
  290   1HH2  ARG  37          1HH2      ARG  37  25.043  -7.795  12.307
  291   2HH2  ARG  37          2HH2      ARG  37  25.289  -9.242  13.228
  292    H    CYS  38           H        CYS  38  26.811  -6.199   5.123
  293    HA   CYS  38           HA       CYS  38  28.491  -5.059   4.285
  294   1HB   CYS  38          1HB       CYS  38  26.914  -3.048   5.314
  295   2HB   CYS  38          2HB       CYS  38  28.455  -2.720   6.081
  296    HG   CYS  38           HG       CYS  38  29.758  -2.064   4.169
  297    HA   PRO  39           HA       PRO  39  31.007  -6.465   7.786
  298   1HB   PRO  39          1HB       PRO  39  32.333  -8.468   6.482
  299   2HB   PRO  39          2HB       PRO  39  30.865  -8.731   7.402
  300   1HG   PRO  39          1HG       PRO  39  31.223  -8.640   4.469
  301   2HG   PRO  39          2HG       PRO  39  29.892  -9.309   5.392
  302   1HD   PRO  39          1HD       PRO  39  29.917  -6.814   3.977
  303   2HD   PRO  39          2HD       PRO  39  28.630  -7.429   4.995
  304    H    ILE  40           H        ILE  40  31.943  -4.361   7.715
  305    HA   ILE  40           HA       ILE  40  33.665  -3.513   5.790
  306    HB   ILE  40           HB       ILE  40  32.834  -2.162   7.634
  307   1HG1  ILE  40          1HG1      ILE  40  35.798  -1.979   7.948
  308   2HG1  ILE  40          2HG1      ILE  40  35.145  -1.832   6.328
  309   1HG2  ILE  40          1HG2      ILE  40  34.769  -3.735   9.357
  310   2HG2  ILE  40          2HG2      ILE  40  33.878  -2.279   9.860
  311   3HG2  ILE  40          3HG2      ILE  40  32.992  -3.767   9.450
  312   1HD1  ILE  40          1HD1      ILE  40  34.176  -0.200   8.720
  313   2HD1  ILE  40          2HD1      ILE  40  35.342   0.376   7.504
  314   3HD1  ILE  40          3HD1      ILE  40  33.668   0.003   7.026
  315    H    LEU  41           H        LEU  41  34.267  -5.819   8.471
  316    HA   LEU  41           HA       LEU  41  36.998  -5.953   8.360
  317   1HB   LEU  41          1HB       LEU  41  34.787  -7.689   9.216
  318   2HB   LEU  41          2HB       LEU  41  36.257  -8.551   8.807
  319    HG   LEU  41           HG       LEU  41  36.512  -6.177  10.601
  320   1HD1  LEU  41          1HD1      LEU  41  34.477  -7.519  11.350
  321   2HD1  LEU  41          2HD1      LEU  41  35.619  -8.830  11.730
  322   3HD1  LEU  41          3HD1      LEU  41  35.765  -7.257  12.550
  323   1HD2  LEU  41          1HD2      LEU  41  38.460  -7.519   9.799
  324   2HD2  LEU  41          2HD2      LEU  41  38.305  -7.433  11.571
  325   3HD2  LEU  41          3HD2      LEU  41  37.813  -8.909  10.705
  326    H    ALA  42           H        ALA  42  34.802  -8.310   6.672
  327    HA   ALA  42           HA       ALA  42  34.951  -9.251   4.668
  328   1HB   ALA  42          1HB       ALA  42  35.852  -6.737   4.168
  329   2HB   ALA  42          2HB       ALA  42  37.299  -7.676   3.729
  330   3HB   ALA  42          3HB       ALA  42  35.746  -8.007   2.924
  331    H    THR  43           H        THR  43  38.354  -8.332   5.584
  332    HA   THR  43           HA       THR  43  40.215  -9.582   5.609
  333    HB   THR  43           HB       THR  43  40.003 -11.503   7.232
  334    HG1  THR  43           HG1      THR  43  37.890 -12.225   7.637
  335   1HG2  THR  43          1HG2      THR  43  39.798  -8.979   7.981
  336   2HG2  THR  43          2HG2      THR  43  38.065  -9.345   8.152
  337   3HG2  THR  43          3HG2      THR  43  39.263 -10.242   9.115
  338    H    GLN  44           H        GLN  44  39.288  -9.724   3.102
  339    HA   GLN  44           HA       GLN  44  40.313 -12.191   2.289
  340   1HB   GLN  44          1HB       GLN  44  38.313 -13.141   1.188
  341   2HB   GLN  44          2HB       GLN  44  38.088 -13.043   2.924
  342   1HG   GLN  44          1HG       GLN  44  36.860 -10.852   2.597
  343   2HG   GLN  44          2HG       GLN  44  37.011 -11.060   0.864
  344   1HE2  GLN  44          2HE2      GLN  44  34.578 -10.810   1.478
  345   2HE2  GLN  44          1HE2      GLN  44  33.678 -12.286   1.587
  346    H    GLY  45           H        GLY  45  40.709  -9.312   1.909
  347   1HA   GLY  45          1HA       GLY  45  40.461  -7.675   0.243
  348   2HA   GLY  45          2HA       GLY  45  39.850  -8.882  -0.869
  349    HA   PRO  46           HA       PRO  46  43.873  -9.505  -2.362
  350   1HB   PRO  46          1HB       PRO  46  43.945  -7.846  -4.532
  351   2HB   PRO  46          2HB       PRO  46  43.166  -9.415  -4.552
  352   1HG   PRO  46          1HG       PRO  46  41.929  -6.733  -4.439
  353   2HG   PRO  46          2HG       PRO  46  41.196  -8.262  -4.882
  354   1HD   PRO  46          1HD       PRO  46  40.893  -6.872  -2.391
  355   2HD   PRO  46          2HD       PRO  46  40.256  -8.454  -2.792
  356    H    THR  47           H        THR  47  42.964  -6.179  -1.832
  357    HA   THR  47           HA       THR  47  44.117  -4.459  -1.025
  358    HB   THR  47           HB       THR  47  45.913  -6.732  -0.035
  359    HG1  THR  47           HG1      THR  47  43.619  -6.542   0.672
  360   1HG2  THR  47          1HG2      THR  47  46.192  -3.794   0.181
  361   2HG2  THR  47          2HG2      THR  47  46.021  -4.583   1.767
  362   3HG2  THR  47          3HG2      THR  47  47.333  -5.070   0.668
  363    H    CYS  48           H        CYS  48  45.521  -2.908  -1.775
  364    HA   CYS  48           HA       CYS  48  47.155  -3.818  -4.016
  365   1HB   CYS  48          1HB       CYS  48  47.091  -1.464  -4.768
  366   2HB   CYS  48          2HB       CYS  48  45.493  -2.171  -4.637
  367    HG   CYS  48           HG       CYS  48  45.363   0.292  -3.810
  368    H    SER  49           H        SER  49  47.107  -2.046  -0.899
  369    HA   SER  49           HA       SER  49  48.685  -1.518   0.497
  370   1HB   SER  49          1HB       SER  49  49.821  -3.744  -0.906
  371   2HB   SER  49          2HB       SER  49  51.105  -2.568  -0.702
  372    HG   SER  49           HG       SER  49  49.472  -3.022   1.571

  No H/Q in entry =         372
  Start of MODEL   15
    1    H    MET   1           H        MET   1 -27.709 -13.640  -3.992
    2    HA   MET   1           HA       MET   1 -29.702 -12.685  -3.610
    3   1HB   MET   1          1HB       MET   1 -29.209 -15.150  -2.337
    4   2HB   MET   1          2HB       MET   1 -29.997 -14.220  -1.079
    5   1HG   MET   1          1HG       MET   1 -31.938 -14.908  -2.087
    6   2HG   MET   1          2HG       MET   1 -31.617 -13.611  -3.221
    7   1HE   MET   1          1HE       MET   1 -31.041 -13.753  -5.452
    8   2HE   MET   1          2HE       MET   1 -29.409 -14.444  -5.284
    9   3HE   MET   1          3HE       MET   1 -30.577 -15.182  -6.407
   10    H    VAL   2           H        VAL   2 -31.341 -11.831  -1.809
   11    HA   VAL   2           HA       VAL   2 -30.027  -9.645  -0.576
   12    HB   VAL   2           HB       VAL   2 -32.856 -10.654  -0.229
   13   1HG1  VAL   2          1HG1      VAL   2 -31.522  -8.608   1.100
   14   2HG1  VAL   2          2HG1      VAL   2 -32.411  -7.765  -0.192
   15   3HG1  VAL   2          3HG1      VAL   2 -33.285  -8.804   0.960
   16   1HG2  VAL   2          1HG2      VAL   2 -31.529  -9.606  -2.568
   17   2HG2  VAL   2          2HG2      VAL   2 -33.208 -10.168  -2.377
   18   3HG2  VAL   2          3HG2      VAL   2 -32.791  -8.473  -2.026
   19    H    ALA   3           H        ALA   3 -29.228  -9.423   1.466
   20    HA   ALA   3           HA       ALA   3 -30.198 -11.084   3.588
   21   1HB   ALA   3          1HB       ALA   3 -27.275 -11.374   2.820
   22   2HB   ALA   3          2HB       ALA   3 -28.525 -12.521   2.281
   23   3HB   ALA   3          3HB       ALA   3 -28.199 -12.311   4.019
   24    H    ALA   4           H        ALA   4 -27.380 -10.610   4.859
   25    HA   ALA   4           HA       ALA   4 -27.933  -8.460   6.375
   26   1HB   ALA   4          1HB       ALA   4 -25.513  -8.340   6.801
   27   2HB   ALA   4          2HB       ALA   4 -25.194  -9.280   5.323
   28   3HB   ALA   4          3HB       ALA   4 -26.045 -10.035   6.692
   29    H    ALA   5           H        ALA   5 -25.581  -8.219   3.612
   30    HA   ALA   5           HA       ALA   5 -24.923  -6.393   2.495
   31   1HB   ALA   5          1HB       ALA   5 -27.868  -6.763   2.080
   32   2HB   ALA   5          2HB       ALA   5 -26.523  -6.926   0.925
   33   3HB   ALA   5          3HB       ALA   5 -27.110  -5.310   1.387
   34    H    MET   6           H        MET   6 -24.200  -5.377   4.594
   35    HA   MET   6           HA       MET   6 -25.802  -3.645   6.001
   36   1HB   MET   6          1HB       MET   6 -23.304  -4.583   6.322
   37   2HB   MET   6          2HB       MET   6 -22.848  -3.084   5.536
   38   1HG   MET   6          1HG       MET   6 -23.960  -1.753   7.265
   39   2HG   MET   6          2HG       MET   6 -24.679  -3.182   7.978
   40   1HE   MET   6          1HE       MET   6 -23.647  -4.994   8.854
   41   2HE   MET   6          2HE       MET   6 -21.960  -5.386   8.446
   42   3HE   MET   6          3HE       MET   6 -22.367  -4.795  10.075
   43    H    LEU   7           H        LEU   7 -23.289  -2.781   3.505
   44    HA   LEU   7           HA       LEU   7 -24.949  -0.969   2.179
   45   1HB   LEU   7          1HB       LEU   7 -24.948   0.494   3.973
   46   2HB   LEU   7          2HB       LEU   7 -23.285   0.147   4.404
   47    HG   LEU   7           HG       LEU   7 -23.175   1.260   1.813
   48   1HD1  LEU   7          1HD1      LEU   7 -25.606   2.017   2.763
   49   2HD1  LEU   7          2HD1      LEU   7 -24.579   3.338   3.368
   50   3HD1  LEU   7          3HD1      LEU   7 -24.620   2.970   1.627
   51   1HD2  LEU   7          1HD2      LEU   7 -21.536   1.453   3.686
   52   2HD2  LEU   7          2HD2      LEU   7 -21.894   2.992   2.865
   53   3HD2  LEU   7          3HD2      LEU   7 -22.620   2.639   4.451
   54    H    LEU   8           H        LEU   8 -21.477  -0.960   3.267
   55    HA   LEU   8           HA       LEU   8 -20.525  -2.165   0.940
   56   1HB   LEU   8          1HB       LEU   8 -20.898   0.776   0.820
   57   2HB   LEU   8          2HB       LEU   8 -19.368   0.154   0.235
   58    HG   LEU   8           HG       LEU   8 -21.426  -1.467  -0.892
   59   1HD1  LEU   8          1HD1      LEU   8 -22.682   0.799  -0.245
   60   2HD1  LEU   8          2HD1      LEU   8 -21.958   1.322  -1.785
   61   3HD1  LEU   8          3HD1      LEU   8 -23.027  -0.100  -1.742
   62   1HD2  LEU   8          1HD2      LEU   8 -19.555   0.606  -2.063
   63   2HD2  LEU   8          2HD2      LEU   8 -19.284  -1.148  -1.926
   64   3HD2  LEU   8          3HD2      LEU   8 -20.541  -0.524  -3.022
   65    H    ARG   9           H        ARG   9 -19.491   0.719   2.899
   66    HA   ARG   9           HA       ARG   9 -17.955  -0.788   4.629
   67   1HB   ARG   9          1HB       ARG   9 -15.653   0.063   3.756
   68   2HB   ARG   9          2HB       ARG   9 -16.375  -1.295   2.915
   69   1HG   ARG   9          1HG       ARG   9 -17.469   0.586   1.388
   70   2HG   ARG   9          2HG       ARG   9 -16.187   1.596   2.027
   71   1HD   ARG   9          1HD       ARG   9 -15.244   0.672   0.048
   72   2HD   ARG   9          2HD       ARG   9 -14.553  -0.303   1.330
   73    HE   ARG   9           HE       ARG   9 -15.892  -2.146   0.659
   74   1HH1  ARG   9          1HH1      ARG   9 -17.126  -3.276  -0.899
   75   2HH1  ARG   9          2HH1      ARG   9 -17.896  -2.410  -2.186
   76   1HH2  ARG   9          1HH2      ARG   9 -16.740   0.751  -1.149
   77   2HH2  ARG   9          2HH2      ARG   9 -17.675  -0.104  -2.330
   78    H    SER  10           H        SER  10 -17.871   2.301   2.703
   79    HA   SER  10           HA       SER  10 -18.309   4.352   3.414
   80   1HB   SER  10          1HB       SER  10 -19.274   3.089   5.592
   81   2HB   SER  10          2HB       SER  10 -17.848   3.787   6.332
   82    HG   SER  10           HG       SER  10 -18.666   5.874   5.207
   83    H    CYS  11           H        CYS  11 -15.772   2.391   5.024
   84    HA   CYS  11           HA       CYS  11 -13.624   2.718   5.327
   85   1HB   CYS  11          1HB       CYS  11 -13.614   5.122   3.504
   86   2HB   CYS  11          2HB       CYS  11 -12.346   3.944   3.779
   87    HG   CYS  11           HG       CYS  11 -14.536   2.069   3.051
   88    HA   PRO  12           HA       PRO  12 -13.462   5.804   8.398
   89   1HB   PRO  12          1HB       PRO  12 -10.801   5.820   9.022
   90   2HB   PRO  12          2HB       PRO  12 -11.920   4.615   9.628
   91   1HG   PRO  12          1HG       PRO  12  -9.875   4.347   7.510
   92   2HG   PRO  12          2HG       PRO  12 -10.692   3.087   8.414
   93   1HD   PRO  12          1HD       PRO  12 -11.236   3.891   5.715
   94   2HD   PRO  12          2HD       PRO  12 -12.127   2.713   6.657
   95    H    VAL  13           H        VAL  13 -11.677   7.708   9.142
   96    HA   VAL  13           HA       VAL  13 -12.197   9.636   7.127
   97    HB   VAL  13           HB       VAL  13 -10.535   9.705   9.653
   98   1HG1  VAL  13          1HG1      VAL  13 -10.327  11.495   7.597
   99   2HG1  VAL  13          2HG1      VAL  13 -11.618  12.234   8.575
  100   3HG1  VAL  13          3HG1      VAL  13 -10.037  11.879   9.311
  101   1HG2  VAL  13          1HG2      VAL  13 -13.374  10.621   9.079
  102   2HG2  VAL  13          2HG2      VAL  13 -12.886   9.239  10.089
  103   3HG2  VAL  13          3HG2      VAL  13 -12.488  10.898  10.598
  104    H    LEU  14           H        LEU  14  -9.203   8.020   8.387
  105    HA   LEU  14           HA       LEU  14  -7.510   9.305   6.539
  106   1HB   LEU  14          1HB       LEU  14  -7.258   6.896   8.319
  107   2HB   LEU  14          2HB       LEU  14  -5.980   7.347   7.209
  108    HG   LEU  14           HG       LEU  14  -7.051   9.398   9.123
  109   1HD1  LEU  14          1HD1      LEU  14  -6.573   7.247  10.377
  110   2HD1  LEU  14          2HD1      LEU  14  -4.870   7.459   9.905
  111   3HD1  LEU  14          3HD1      LEU  14  -5.674   8.690  10.908
  112   1HD2  LEU  14          1HD2      LEU  14  -5.209   9.569   7.153
  113   2HD2  LEU  14          2HD2      LEU  14  -5.200  10.581   8.617
  114   3HD2  LEU  14          3HD2      LEU  14  -4.163   9.137   8.527
  115    H    SER  15           H        SER  15  -8.587   5.831   6.675
  116    HA   SER  15           HA       SER  15  -8.875   4.352   5.113
  117   1HB   SER  15          1HB       SER  15 -10.679   5.985   4.442
  118   2HB   SER  15          2HB       SER  15  -9.568   6.695   3.287
  119    HG   SER  15           HG       SER  15  -9.895   3.879   3.140
  120    H    GLN  16           H        GLN  16  -6.341   4.358   5.365
  121    HA   GLN  16           HA       GLN  16  -5.317   4.254   2.707
  122   1HB   GLN  16          1HB       GLN  16  -4.656   6.497   4.501
  123   2HB   GLN  16          2HB       GLN  16  -3.229   5.641   3.953
  124   1HG   GLN  16          1HG       GLN  16  -5.093   5.995   1.732
  125   2HG   GLN  16          2HG       GLN  16  -4.770   7.540   2.494
  126   1HE2  GLN  16          2HE2      GLN  16  -3.329   8.560   1.330
  127   2HE2  GLN  16          1HE2      GLN  16  -1.827   7.933   0.737
  128    H    GLY  17           H        GLY  17  -3.591   4.668   5.861
  129   1HA   GLY  17          1HA       GLY  17  -1.982   2.402   5.523
  130   2HA   GLY  17          2HA       GLY  17  -3.372   1.934   6.482
  131    HA   PRO  18           HA       PRO  18  -0.264   4.498   8.923
  132   1HB   PRO  18          1HB       PRO  18   0.664   6.894   7.991
  133   2HB   PRO  18          2HB       PRO  18   1.494   5.374   7.722
  134   1HG   PRO  18          1HG       PRO  18  -0.107   6.973   5.820
  135   2HG   PRO  18          2HG       PRO  18   1.059   5.709   5.482
  136   1HD   PRO  18          1HD       PRO  18  -1.799   5.478   5.388
  137   2HD   PRO  18          2HD       PRO  18  -0.635   4.187   5.164
  138    H    THR  19           H        THR  19   0.001   6.949  10.010
  139    HA   THR  19           HA       THR  19  -2.735   7.985  10.119
  140    HB   THR  19           HB       THR  19  -1.064   7.166  12.554
  141    HG1  THR  19           HG1      THR  19  -2.955   5.584  12.590
  142   1HG2  THR  19          1HG2      THR  19  -3.165   9.014  12.402
  143   2HG2  THR  19          2HG2      THR  19  -4.002   7.486  12.769
  144   3HG2  THR  19          3HG2      THR  19  -2.723   8.083  13.854
  145    H    GLY  20           H        GLY  20  -0.067   8.806   8.921
  146   1HA   GLY  20          1HA       GLY  20   0.530  11.172  10.554
  147   2HA   GLY  20          2HA       GLY  20  -0.089  11.407   8.932
  148    H    LEU  21           H        LEU  21   1.129   9.329   7.481
  149    HA   LEU  21           HA       LEU  21   3.036   8.625   6.588
  150   1HB   LEU  21          1HB       LEU  21   3.865  11.485   7.097
  151   2HB   LEU  21          2HB       LEU  21   4.585  10.390   5.934
  152    HG   LEU  21           HG       LEU  21   1.653  10.898   5.700
  153   1HD1  LEU  21          1HD1      LEU  21   3.228  13.092   6.059
  154   2HD1  LEU  21          2HD1      LEU  21   3.309  12.889   4.293
  155   3HD1  LEU  21          3HD1      LEU  21   1.731  13.058   5.097
  156   1HD2  LEU  21          1HD2      LEU  21   3.945  10.366   3.811
  157   2HD2  LEU  21          2HD2      LEU  21   2.497   9.379   4.124
  158   3HD2  LEU  21          3HD2      LEU  21   2.351  10.918   3.241
  159    H    LEU  22           H        LEU  22   3.581   7.077   8.216
  160    HA   LEU  22           HA       LEU  22   6.055   7.740   9.532
  161   1HB   LEU  22          1HB       LEU  22   4.681   8.494  11.263
  162   2HB   LEU  22          2HB       LEU  22   3.517   7.203  11.042
  163    HG   LEU  22           HG       LEU  22   5.890   5.873  11.690
  164   1HD1  LEU  22          1HD1      LEU  22   6.628   8.283  12.354
  165   2HD1  LEU  22          2HD1      LEU  22   5.578   8.019  13.766
  166   3HD1  LEU  22          3HD1      LEU  22   6.945   6.922  13.457
  167   1HD2  LEU  22          1HD2      LEU  22   3.308   5.760  12.426
  168   2HD2  LEU  22          2HD2      LEU  22   4.616   4.931  13.303
  169   3HD2  LEU  22          3HD2      LEU  22   4.000   6.494  13.892
  170    H    GLY  23           H        GLY  23   3.360   5.338   9.186
  171   1HA   GLY  23          1HA       GLY  23   3.400   3.118   8.826
  172   2HA   GLY  23          2HA       GLY  23   4.977   3.064   9.588
  173    H    LYS  24           H        LYS  24   4.498   5.232   6.835
  174    HA   LYS  24           HA       LYS  24   5.376   3.288   4.912
  175   1HB   LYS  24          1HB       LYS  24   3.776   5.414   4.693
  176   2HB   LYS  24          2HB       LYS  24   5.288   6.215   4.316
  177   1HG   LYS  24          1HG       LYS  24   5.431   5.218   2.271
  178   2HG   LYS  24          2HG       LYS  24   5.077   3.633   2.928
  179   1HD   LYS  24          1HD       LYS  24   2.910   3.743   2.253
  180   2HD   LYS  24          2HD       LYS  24   2.683   5.302   3.021
  181   1HE   LYS  24          1HE       LYS  24   3.803   6.402   1.037
  182   2HE   LYS  24          2HE       LYS  24   3.919   4.834   0.265
  183    H    VAL  25           H        VAL  25   6.833   5.366   7.252
  184    HA   VAL  25           HA       VAL  25   9.340   5.415   5.743
  185    HB   VAL  25           HB       VAL  25   8.299   6.931   8.133
  186   1HG1  VAL  25          1HG1      VAL  25  10.645   6.326   8.566
  187   2HG1  VAL  25          2HG1      VAL  25  11.113   7.011   6.991
  188   3HG1  VAL  25          3HG1      VAL  25  10.465   8.072   8.265
  189   1HG2  VAL  25          1HG2      VAL  25   7.870   7.483   5.565
  190   2HG2  VAL  25          2HG2      VAL  25   8.169   8.764   6.763
  191   3HG2  VAL  25          3HG2      VAL  25   9.488   8.211   5.705
  192    H    ALA  26           H        ALA  26   7.604   3.690   8.176
  193    HA   ALA  26           HA       ALA  26   9.990   2.841   9.575
  194   1HB   ALA  26          1HB       ALA  26   8.010   1.275  10.545
  195   2HB   ALA  26          2HB       ALA  26   8.288   2.942  11.105
  196   3HB   ALA  26          3HB       ALA  26   7.031   2.609   9.889
  197    H    LYS  27           H        LYS  27   7.314   1.247   7.689
  198    HA   LYS  27           HA       LYS  27   8.519  -1.225   7.508
  199   1HB   LYS  27          1HB       LYS  27   6.530   0.216   5.748
  200   2HB   LYS  27          2HB       LYS  27   7.047  -1.424   5.412
  201   1HG   LYS  27          1HG       LYS  27   6.168  -0.790   8.225
  202   2HG   LYS  27          2HG       LYS  27   4.927  -0.891   6.992
  203   1HD   LYS  27          1HD       LYS  27   5.205  -3.166   6.690
  204   2HD   LYS  27          2HD       LYS  27   6.938  -3.101   6.947
  205   1HE   LYS  27          1HE       LYS  27   6.587  -2.838   9.397
  206   2HE   LYS  27          2HE       LYS  27   4.850  -2.829   9.164
  207    H    THR  28           H        THR  28   8.623   1.517   5.126
  208    HA   THR  28           HA       THR  28  10.195   0.434   3.216
  209    HB   THR  28           HB       THR  28   9.144   2.811   3.491
  210    HG1  THR  28           HG1      THR  28  10.654   1.880   1.770
  211   1HG2  THR  28          1HG2      THR  28  10.622   3.353   5.554
  212   2HG2  THR  28          2HG2      THR  28  11.990   3.427   4.417
  213   3HG2  THR  28          3HG2      THR  28  10.629   4.562   4.248
  214    H    TYR  29           H        TYR  29  11.249   1.553   6.452
  215    HA   TYR  29           HA       TYR  29  14.007   1.310   5.894
  216   1HB   TYR  29          1HB       TYR  29  12.347   2.325   7.868
  217   2HB   TYR  29          2HB       TYR  29  12.805   0.816   8.632
  218    HD1  TYR  29           HD1      TYR  29  15.407   0.316   8.689
  219    HD2  TYR  29           HD2      TYR  29  13.697   4.203   8.164
  220    HE1  TYR  29           HE1      TYR  29  17.573   1.385   9.484
  221    HE2  TYR  29           HE2      TYR  29  15.868   5.258   8.960
  222    HH   TYR  29           HH       TYR  29  18.624   3.217   9.903
  223    H    GLN  30           H        GLN  30  11.515  -0.909   7.263
  224    HA   GLN  30           HA       GLN  30  13.092  -2.854   8.235
  225   1HB   GLN  30          1HB       GLN  30  10.480  -2.639   8.037
  226   2HB   GLN  30          2HB       GLN  30  10.668  -3.556   6.556
  227   1HG   GLN  30          1HG       GLN  30  12.104  -5.202   8.045
  228   2HG   GLN  30          2HG       GLN  30  11.318  -4.408   9.395
  229   1HE2  GLN  30          2HE2      GLN  30  11.189  -7.077   7.717
  230   2HE2  GLN  30          1HE2      GLN  30   9.493  -7.419   7.640
  231    H    PHE  31           H        PHE  31  12.720  -1.869   4.887
  232    HA   PHE  31           HA       PHE  31  14.157  -4.278   4.034
  233   1HB   PHE  31          1HB       PHE  31  11.821  -3.338   3.088
  234   2HB   PHE  31          2HB       PHE  31  12.833  -2.169   2.262
  235    HD1  PHE  31           HD1      PHE  31  14.092  -2.775   0.335
  236    HD2  PHE  31           HD2      PHE  31  12.072  -5.766   2.567
  237    HE1  PHE  31           HE1      PHE  31  14.488  -4.423  -1.516
  238    HE2  PHE  31           HE2      PHE  31  12.468  -7.415   0.716
  239    HZ   PHE  31           HZ       PHE  31  13.672  -6.724  -1.303
  240    H    LEU  32           H        LEU  32  14.032  -0.674   3.826
  241    HA   LEU  32           HA       LEU  32  16.230  -0.339   2.176
  242   1HB   LEU  32          1HB       LEU  32  14.571   1.271   3.947
  243   2HB   LEU  32          2HB       LEU  32  16.234   1.824   3.915
  244    HG   LEU  32           HG       LEU  32  15.730   1.478   1.240
  245   1HD1  LEU  32          1HD1      LEU  32  13.165   2.481   2.504
  246   2HD1  LEU  32          2HD1      LEU  32  13.558   2.528   0.768
  247   3HD1  LEU  32          3HD1      LEU  32  13.381   0.964   1.599
  248   1HD2  LEU  32          1HD2      LEU  32  16.015   3.691   3.118
  249   2HD2  LEU  32          2HD2      LEU  32  16.689   3.473   1.485
  250   3HD2  LEU  32          3HD2      LEU  32  15.044   4.123   1.690
  251    H    PHE  33           H        PHE  33  15.976  -1.010   5.676
  252    HA   PHE  33           HA       PHE  33  18.444  -0.329   6.551
  253   1HB   PHE  33          1HB       PHE  33  16.399  -1.481   7.702
  254   2HB   PHE  33          2HB       PHE  33  17.011  -2.998   7.073
  255    HD1  PHE  33           HD1      PHE  33  17.026  -0.846   9.831
  256    HD2  PHE  33           HD2      PHE  33  19.551  -3.484   7.670
  257    HE1  PHE  33           HE1      PHE  33  18.502  -1.086  11.847
  258    HE2  PHE  33           HE2      PHE  33  21.026  -3.724   9.686
  259    HZ   PHE  33           HZ       PHE  33  20.484  -2.522  11.751
  260    H    SER  34           H        SER  34  17.592  -2.889   4.267
  261    HA   SER  34           HA       SER  34  20.406  -3.386   3.936
  262   1HB   SER  34          1HB       SER  34  18.680  -5.232   5.326
  263   2HB   SER  34          2HB       SER  34  19.117  -5.956   3.791
  264    HG   SER  34           HG       SER  34  20.824  -5.120   5.945
  265    H    ILE  35           H        ILE  35  20.300  -2.466   1.850
  266    HA   ILE  35           HA       ILE  35  18.381  -3.720   0.018
  267    HB   ILE  35           HB       ILE  35  18.719  -1.720  -1.378
  268   1HG1  ILE  35          1HG1      ILE  35  20.334  -0.683   0.971
  269   2HG1  ILE  35          2HG1      ILE  35  20.976  -1.117  -0.601
  270   1HG2  ILE  35          1HG2      ILE  35  17.271  -1.958   1.057
  271   2HG2  ILE  35          2HG2      ILE  35  17.859  -0.283   0.935
  272   3HG2  ILE  35          3HG2      ILE  35  16.884  -0.982  -0.380
  273   1HD1  ILE  35          1HD1      ILE  35  18.712   0.710  -0.897
  274   2HD1  ILE  35          2HD1      ILE  35  19.957   1.400   0.171
  275   3HD1  ILE  35          3HD1      ILE  35  20.384   0.887  -1.479
  276    H    GLY  36           H        GLY  36  21.790  -3.065   0.757
  277   1HA   GLY  36          1HA       GLY  36  22.732  -4.002  -1.808
  278   2HA   GLY  36          2HA       GLY  36  22.879  -5.180  -0.519
  279    H    ARG  37           H        ARG  37  25.259  -4.933  -0.935
  280    HA   ARG  37           HA       ARG  37  26.517  -2.507  -0.491
  281   1HB   ARG  37          1HB       ARG  37  27.582  -3.140   1.774
  282   2HB   ARG  37          2HB       ARG  37  25.915  -2.605   1.832
  283   1HG   ARG  37          1HG       ARG  37  25.269  -5.117   1.656
  284   2HG   ARG  37          2HG       ARG  37  26.955  -5.463   1.988
  285   1HD   ARG  37          1HD       ARG  37  25.935  -3.478   3.885
  286   2HD   ARG  37          2HD       ARG  37  24.914  -4.903   3.888
  287    HE   ARG  37           HE       ARG  37  26.719  -6.201   4.709
  288   1HH1  ARG  37          1HH1      ARG  37  28.742  -6.423   5.748
  289   2HH1  ARG  37          2HH1      ARG  37  29.874  -5.113   5.727
  290   1HH2  ARG  37          1HH2      ARG  37  27.803  -2.963   3.857
  291   2HH2  ARG  37          2HH2      ARG  37  29.337  -3.131   4.644
  292    H    CYS  38           H        CYS  38  26.904  -4.280  -2.482
  293    HA   CYS  38           HA       CYS  38  28.706  -6.355  -1.899
  294   1HB   CYS  38          1HB       CYS  38  27.411  -5.232  -4.252
  295   2HB   CYS  38          2HB       CYS  38  29.083  -5.635  -4.588
  296    HG   CYS  38           HG       CYS  38  27.355  -7.682  -2.723
  297    HA   PRO  39           HA       PRO  39  31.889  -3.097  -3.260
  298   1HB   PRO  39          1HB       PRO  39  31.114  -0.512  -3.692
  299   2HB   PRO  39          2HB       PRO  39  31.268  -1.693  -4.977
  300   1HG   PRO  39          1HG       PRO  39  28.812  -0.628  -3.724
  301   2HG   PRO  39          2HG       PRO  39  28.991  -1.461  -5.255
  302   1HD   PRO  39          1HD       PRO  39  27.974  -2.563  -2.810
  303   2HD   PRO  39          2HD       PRO  39  28.261  -3.425  -4.308
  304    H    ILE  40           H        ILE  40  33.255  -2.848  -1.619
  305    HA   ILE  40           HA       ILE  40  32.172  -1.248   0.596
  306    HB   ILE  40           HB       ILE  40  34.012  -3.641   0.663
  307   1HG1  ILE  40          1HG1      ILE  40  31.468  -3.925   0.333
  308   2HG1  ILE  40          2HG1      ILE  40  32.267  -4.863   1.579
  309   1HG2  ILE  40          1HG2      ILE  40  33.296  -1.609   2.758
  310   2HG2  ILE  40          2HG2      ILE  40  33.648  -3.293   3.213
  311   3HG2  ILE  40          3HG2      ILE  40  34.876  -2.326   2.361
  312   1HD1  ILE  40          1HD1      ILE  40  31.262  -2.176   2.428
  313   2HD1  ILE  40          2HD1      ILE  40  30.025  -3.395   2.037
  314   3HD1  ILE  40          3HD1      ILE  40  31.235  -3.728   3.299
  315    H    LEU  41           H        LEU  41  35.503  -2.484   0.122
  316    HA   LEU  41           HA       LEU  41  36.810  -0.252   0.833
  317   1HB   LEU  41          1HB       LEU  41  37.394  -2.670  -0.607
  318   2HB   LEU  41          2HB       LEU  41  38.283  -1.337  -1.318
  319    HG   LEU  41           HG       LEU  41  38.969  -0.800   1.148
  320   1HD1  LEU  41          1HD1      LEU  41  37.310  -2.569   1.997
  321   2HD1  LEU  41          2HD1      LEU  41  38.535  -3.762   1.499
  322   3HD1  LEU  41          3HD1      LEU  41  38.937  -2.529   2.719
  323   1HD2  LEU  41          1HD2      LEU  41  40.201  -2.038  -0.951
  324   2HD2  LEU  41          2HD2      LEU  41  40.984  -1.606   0.588
  325   3HD2  LEU  41          3HD2      LEU  41  40.370  -3.257   0.335
  326    H    ALA  42           H        ALA  42  36.001  -1.072  -2.618
  327    HA   ALA  42           HA       ALA  42  35.334   1.668  -3.119
  328   1HB   ALA  42          1HB       ALA  42  38.005   0.548  -3.826
  329   2HB   ALA  42          2HB       ALA  42  37.512   2.232  -3.529
  330   3HB   ALA  42          3HB       ALA  42  37.174   1.470  -5.101
  331    H    THR  43           H        THR  43  36.610  -1.175  -5.000
  332    HA   THR  43           HA       THR  43  34.098  -2.067  -5.835
  333    HB   THR  43           HB       THR  43  33.902   0.065  -7.033
  334    HG1  THR  43           HG1      THR  43  34.956  -2.032  -8.794
  335   1HG2  THR  43          1HG2      THR  43  36.697  -0.020  -7.249
  336   2HG2  THR  43          2HG2      THR  43  36.151  -0.431  -8.893
  337   3HG2  THR  43          3HG2      THR  43  35.632   1.095  -8.138
  338    H    GLN  44           H        GLN  44  37.579  -1.632  -6.569
  339    HA   GLN  44           HA       GLN  44  38.035  -4.346  -6.504
  340   1HB   GLN  44          1HB       GLN  44  36.755  -4.378  -8.646
  341   2HB   GLN  44          2HB       GLN  44  37.891  -3.241  -9.344
  342   1HG   GLN  44          1HG       GLN  44  38.452  -5.559 -10.012
  343   2HG   GLN  44          2HG       GLN  44  39.744  -4.861  -9.056
  344   1HE2  GLN  44          2HE2      GLN  44  40.384  -7.048  -8.675
  345   2HE2  GLN  44          1HE2      GLN  44  39.644  -7.990  -7.424
  346    H    GLY  45           H        GLY  45  39.435  -2.703  -5.138
  347   1HA   GLY  45          1HA       GLY  45  41.530  -1.345  -6.562
  348   2HA   GLY  45          2HA       GLY  45  42.055  -2.865  -5.866
  349    HA   PRO  46           HA       PRO  46  42.506  -0.720  -2.113
  350   1HB   PRO  46          1HB       PRO  46  44.779   0.778  -2.349
  351   2HB   PRO  46          2HB       PRO  46  44.796  -0.951  -2.064
  352   1HG   PRO  46          1HG       PRO  46  45.377   0.522  -4.561
  353   2HG   PRO  46          2HG       PRO  46  45.791  -1.127  -4.138
  354   1HD   PRO  46          1HD       PRO  46  43.681  -0.283  -5.887
  355   2HD   PRO  46          2HD       PRO  46  44.023  -1.923  -5.372
  356    H    THR  47           H        THR  47  42.723   1.384  -0.836
  357    HA   THR  47           HA       THR  47  40.669   3.024  -1.489
  358    HB   THR  47           HB       THR  47  41.751   4.608   0.088
  359    HG1  THR  47           HG1      THR  47  44.021   2.798  -0.342
  360   1HG2  THR  47          1HG2      THR  47  41.422   1.803   0.634
  361   2HG2  THR  47          2HG2      THR  47  42.958   2.306   1.381
  362   3HG2  THR  47          3HG2      THR  47  41.445   3.139   1.810
  363    H    CYS  48           H        CYS  48  40.662   5.360  -2.167
  364    HA   CYS  48           HA       CYS  48  40.910   6.847  -3.760
  365   1HB   CYS  48          1HB       CYS  48  43.748   6.006  -3.312
  366   2HB   CYS  48          2HB       CYS  48  43.402   7.016  -4.702
  367    HG   CYS  48           HG       CYS  48  43.832   8.907  -3.270
  368    H    SER  49           H        SER  49  39.455   5.393  -5.045
  369    HA   SER  49           HA       SER  49  38.946   4.046  -6.707
  370   1HB   SER  49          1HB       SER  49  39.575   4.914  -8.879
  371   2HB   SER  49          2HB       SER  49  39.421   6.272  -7.782
  372    HG   SER  49           HG       SER  49  41.566   6.650  -7.853

  No H/Q in entry =         372
  Start of MODEL   16
    1    H    MET   1           H        MET   1 -28.267 -11.485  28.044
    2    HA   MET   1           HA       MET   1 -28.352  -9.145  27.482
    3   1HB   MET   1          1HB       MET   1 -26.293  -9.128  26.077
    4   2HB   MET   1          2HB       MET   1 -26.193 -10.411  27.266
    5   1HG   MET   1          1HG       MET   1 -27.309 -11.875  25.320
    6   2HG   MET   1          2HG       MET   1 -26.657 -10.621  24.284
    7   1HE   MET   1          1HE       MET   1 -24.746 -11.011  23.149
    8   2HE   MET   1          2HE       MET   1 -23.434 -12.150  23.536
    9   3HE   MET   1          3HE       MET   1 -25.066 -12.761  23.175
   10    H    VAL   2           H        VAL   2 -28.412  -7.509  25.706
   11    HA   VAL   2           HA       VAL   2 -29.887  -8.484  23.365
   12    HB   VAL   2           HB       VAL   2 -31.393  -7.502  25.086
   13   1HG1  VAL   2          1HG1      VAL   2 -29.391  -5.384  25.014
   14   2HG1  VAL   2          2HG1      VAL   2 -31.034  -4.755  24.748
   15   3HG1  VAL   2          3HG1      VAL   2 -30.671  -5.706  26.208
   16   1HG2  VAL   2          1HG2      VAL   2 -31.122  -6.080  22.421
   17   2HG2  VAL   2          2HG2      VAL   2 -32.127  -7.498  22.805
   18   3HG2  VAL   2          3HG2      VAL   2 -32.528  -5.908  23.499
   19    H    ALA   3           H        ALA   3 -29.540  -7.251  21.420
   20    HA   ALA   3           HA       ALA   3 -28.476  -5.834  20.059
   21   1HB   ALA   3          1HB       ALA   3 -26.770  -4.710  22.274
   22   2HB   ALA   3          2HB       ALA   3 -27.450  -3.898  20.843
   23   3HB   ALA   3          3HB       ALA   3 -28.504  -4.310  22.217
   24    H    ALA   4           H        ALA   4 -27.027  -6.728  18.683
   25    HA   ALA   4           HA       ALA   4 -24.431  -7.490  19.659
   26   1HB   ALA   4          1HB       ALA   4 -26.371  -9.424  19.836
   27   2HB   ALA   4          2HB       ALA   4 -24.637  -9.752  19.605
   28   3HB   ALA   4          3HB       ALA   4 -25.731  -9.718  18.202
   29    H    ALA   5           H        ALA   5 -24.577  -5.445  18.106
   30    HA   ALA   5           HA       ALA   5 -25.102  -5.776  15.409
   31   1HB   ALA   5          1HB       ALA   5 -23.533  -3.904  17.132
   32   2HB   ALA   5          2HB       ALA   5 -24.841  -3.567  15.973
   33   3HB   ALA   5          3HB       ALA   5 -23.190  -3.877  15.385
   34    H    MET   6           H        MET   6 -21.870  -5.856  17.083
   35    HA   MET   6           HA       MET   6 -20.005  -6.854  16.584
   36   1HB   MET   6          1HB       MET   6 -21.934  -8.816  16.420
   37   2HB   MET   6          2HB       MET   6 -21.272  -8.924  14.801
   38   1HG   MET   6          1HG       MET   6 -19.850 -10.400  15.924
   39   2HG   MET   6          2HG       MET   6 -18.926  -8.918  16.069
   40   1HE   MET   6          1HE       MET   6 -17.676 -10.133  17.845
   41   2HE   MET   6          2HE       MET   6 -18.225 -10.390  19.519
   42   3HE   MET   6          3HE       MET   6 -18.700 -11.534  18.241
   43    H    LEU   7           H        LEU   7 -20.178  -4.697  15.072
   44    HA   LEU   7           HA       LEU   7 -19.951  -5.452  12.275
   45   1HB   LEU   7          1HB       LEU   7 -20.444  -2.965  13.805
   46   2HB   LEU   7          2HB       LEU   7 -19.528  -2.790  12.322
   47    HG   LEU   7           HG       LEU   7 -22.174  -4.244  12.390
   48   1HD1  LEU   7          1HD1      LEU   7 -22.422  -1.939  13.327
   49   2HD1  LEU   7          2HD1      LEU   7 -21.810  -1.300  11.782
   50   3HD1  LEU   7          3HD1      LEU   7 -23.329  -2.226  11.823
   51   1HD2  LEU   7          1HD2      LEU   7 -20.228  -3.488  10.333
   52   2HD2  LEU   7          2HD2      LEU   7 -21.516  -4.715  10.308
   53   3HD2  LEU   7          3HD2      LEU   7 -21.899  -3.015   9.946
   54    H    LEU   8           H        LEU   8 -17.988  -6.704  13.735
   55    HA   LEU   8           HA       LEU   8 -15.644  -5.041  13.788
   56   1HB   LEU   8          1HB       LEU   8 -16.042  -6.756  15.476
   57   2HB   LEU   8          2HB       LEU   8 -16.041  -8.001  14.243
   58    HG   LEU   8           HG       LEU   8 -13.617  -7.010  13.743
   59   1HD1  LEU   8          1HD1      LEU   8 -14.370  -5.632  16.131
   60   2HD1  LEU   8          2HD1      LEU   8 -13.039  -6.751  16.511
   61   3HD1  LEU   8          3HD1      LEU   8 -12.846  -5.545  15.216
   62   1HD2  LEU   8          1HD2      LEU   8 -14.446  -9.339  14.562
   63   2HD2  LEU   8          2HD2      LEU   8 -12.739  -8.882  14.775
   64   3HD2  LEU   8          3HD2      LEU   8 -13.863  -8.787  16.151
   65    H    ARG   9           H        ARG   9 -16.498  -4.648  11.311
   66    HA   ARG   9           HA       ARG   9 -14.415  -5.626   9.782
   67   1HB   ARG   9          1HB       ARG   9 -15.652  -7.044   8.152
   68   2HB   ARG   9          2HB       ARG   9 -15.703  -7.749   9.756
   69   1HG   ARG   9          1HG       ARG   9 -17.957  -6.142   9.808
   70   2HG   ARG   9          2HG       ARG   9 -17.913  -6.607   8.119
   71   1HD   ARG   9          1HD       ARG   9 -17.569  -8.703  10.294
   72   2HD   ARG   9          2HD       ARG   9 -19.171  -8.160   9.835
   73    HE   ARG   9           HE       ARG   9 -18.100  -8.735   7.392
   74   1HH1  ARG   9          1HH1      ARG   9 -18.047 -10.770   6.354
   75   2HH1  ARG   9          2HH1      ARG   9 -18.038 -12.223   7.297
   76   1HH2  ARG   9          1HH2      ARG   9 -18.122 -10.560  10.401
   77   2HH2  ARG   9          2HH2      ARG   9 -18.081 -12.103   9.614
   78    H    SER  10           H        SER  10 -15.290  -3.076  10.291
   79    HA   SER  10           HA       SER  10 -15.849  -2.147   7.700
   80   1HB   SER  10          1HB       SER  10 -18.077  -2.221   9.723
   81   2HB   SER  10          2HB       SER  10 -17.954  -0.801   8.703
   82    HG   SER  10           HG       SER  10 -19.300  -2.315   7.659
   83    H    CYS  11           H        CYS  11 -16.327  -1.228  11.196
   84    HA   CYS  11           HA       CYS  11 -15.330   1.382  10.766
   85   1HB   CYS  11          1HB       CYS  11 -15.465   1.604  13.209
   86   2HB   CYS  11          2HB       CYS  11 -16.940   0.935  12.539
   87    HG   CYS  11           HG       CYS  11 -14.394  -0.615  13.978
   88    HA   PRO  12           HA       PRO  12 -11.091   0.497  11.245
   89   1HB   PRO  12          1HB       PRO  12 -10.118   2.913  12.071
   90   2HB   PRO  12          2HB       PRO  12 -10.483   2.549  10.396
   91   1HG   PRO  12          1HG       PRO  12 -12.006   4.213  12.307
   92   2HG   PRO  12          2HG       PRO  12 -12.108   4.178  10.558
   93   1HD   PRO  12          1HD       PRO  12 -13.955   2.998  12.408
   94   2HD   PRO  12          2HD       PRO  12 -13.993   2.865  10.661
   95    H    VAL  13           H        VAL  13  -9.325   0.031  12.659
   96    HA   VAL  13           HA       VAL  13 -10.338  -0.600  15.250
   97    HB   VAL  13           HB       VAL  13  -7.491  -0.749  14.258
   98   1HG1  VAL  13          1HG1      VAL  13  -8.378  -1.208  16.746
   99   2HG1  VAL  13          2HG1      VAL  13  -8.720  -2.804  16.035
  100   3HG1  VAL  13          3HG1      VAL  13  -7.064  -2.152  16.005
  101   1HG2  VAL  13          1HG2      VAL  13  -9.854  -2.522  13.648
  102   2HG2  VAL  13          2HG2      VAL  13  -8.616  -1.873  12.545
  103   3HG2  VAL  13          3HG2      VAL  13  -8.199  -3.177  13.683
  104    H    LEU  14           H        LEU  14  -7.890   1.704  13.901
  105    HA   LEU  14           HA       LEU  14  -8.356   3.371  16.242
  106   1HB   LEU  14          1HB       LEU  14  -5.820   1.995  15.561
  107   2HB   LEU  14          2HB       LEU  14  -5.692   3.681  16.022
  108    HG   LEU  14           HG       LEU  14  -7.298   2.762  18.016
  109   1HD1  LEU  14          1HD1      LEU  14  -6.307   0.403  16.764
  110   2HD1  LEU  14          2HD1      LEU  14  -5.518   0.562  18.352
  111   3HD1  LEU  14          3HD1      LEU  14  -7.294   0.558  18.237
  112   1HD2  LEU  14          1HD2      LEU  14  -4.854   3.909  17.827
  113   2HD2  LEU  14          2HD2      LEU  14  -5.588   3.360  19.353
  114   3HD2  LEU  14          3HD2      LEU  14  -4.415   2.323  18.505
  115    H    SER  15           H        SER  15  -6.685   2.949  13.057
  116    HA   SER  15           HA       SER  15  -6.678   4.230  11.292
  117   1HB   SER  15          1HB       SER  15  -8.376   5.747  10.866
  118   2HB   SER  15          2HB       SER  15  -9.090   4.885  12.215
  119    HG   SER  15           HG       SER  15  -7.656   7.400  12.343
  120    H    GLN  16           H        GLN  16  -4.761   4.408  13.519
  121    HA   GLN  16           HA       GLN  16  -4.023   7.219  13.342
  122   1HB   GLN  16          1HB       GLN  16  -4.166   5.473  15.549
  123   2HB   GLN  16          2HB       GLN  16  -2.450   5.603  15.221
  124   1HG   GLN  16          1HG       GLN  16  -2.762   8.151  15.141
  125   2HG   GLN  16          2HG       GLN  16  -4.395   7.899  15.724
  126   1HE2  GLN  16          2HE2      GLN  16  -2.918   9.419  17.242
  127   2HE2  GLN  16          1HE2      GLN  16  -2.362   8.633  18.682
  128    H    GLY  17           H        GLY  17  -3.626   4.853  11.361
  129   1HA   GLY  17          1HA       GLY  17  -1.877   3.773  10.308
  130   2HA   GLY  17          2HA       GLY  17  -0.721   4.587  11.343
  131    HA   PRO  18           HA       PRO  18  -1.380   6.843   7.280
  132   1HB   PRO  18          1HB       PRO  18  -3.872   7.251   6.236
  133   2HB   PRO  18          2HB       PRO  18  -2.879   5.865   5.832
  134   1HG   PRO  18          1HG       PRO  18  -5.248   5.997   7.596
  135   2HG   PRO  18          2HG       PRO  18  -4.511   4.592   6.851
  136   1HD   PRO  18          1HD       PRO  18  -4.276   5.402   9.592
  137   2HD   PRO  18          2HD       PRO  18  -3.448   4.065   8.820
  138    H    THR  19           H        THR  19  -2.257   9.033   6.271
  139    HA   THR  19           HA       THR  19  -2.826  11.167   6.637
  140    HB   THR  19           HB       THR  19  -3.624  10.517   9.501
  141    HG1  THR  19           HG1      THR  19  -5.136  10.137   7.018
  142   1HG2  THR  19          1HG2      THR  19  -4.553  12.407   7.296
  143   2HG2  THR  19          2HG2      THR  19  -5.624  11.977   8.651
  144   3HG2  THR  19          3HG2      THR  19  -4.083  12.810   8.965
  145    H    GLY  20           H        GLY  20  -1.345   9.705   9.607
  146   1HA   GLY  20          1HA       GLY  20   0.345  10.464  10.901
  147   2HA   GLY  20          2HA       GLY  20   0.209  12.039  10.146
  148    H    LEU  21           H        LEU  21   0.845   8.800   8.644
  149    HA   LEU  21           HA       LEU  21   2.404   8.179   7.192
  150   1HB   LEU  21          1HB       LEU  21   2.351  10.985   6.843
  151   2HB   LEU  21          2HB       LEU  21   4.039  10.519   6.902
  152    HG   LEU  21           HG       LEU  21   2.821   8.631   5.209
  153   1HD1  LEU  21          1HD1      LEU  21   1.074  10.741   5.276
  154   2HD1  LEU  21          2HD1      LEU  21   2.107  11.153   3.887
  155   3HD1  LEU  21          3HD1      LEU  21   1.256   9.590   3.931
  156   1HD2  LEU  21          1HD2      LEU  21   4.566  11.047   4.695
  157   2HD2  LEU  21          2HD2      LEU  21   5.059   9.347   4.885
  158   3HD2  LEU  21          3HD2      LEU  21   4.148   9.854   3.442
  159    H    LEU  22           H        LEU  22   3.285   6.744   8.714
  160    HA   LEU  22           HA       LEU  22   5.879   7.582   9.694
  161   1HB   LEU  22          1HB       LEU  22   4.598   8.194  11.571
  162   2HB   LEU  22          2HB       LEU  22   3.602   6.756  11.476
  163    HG   LEU  22           HG       LEU  22   6.330   5.938  11.816
  164   1HD1  LEU  22          1HD1      LEU  22   5.394   8.033  13.794
  165   2HD1  LEU  22          2HD1      LEU  22   6.761   6.923  14.053
  166   3HD1  LEU  22          3HD1      LEU  22   6.819   8.113  12.731
  167   1HD2  LEU  22          1HD2      LEU  22   4.208   4.728  12.416
  168   2HD2  LEU  22          2HD2      LEU  22   5.467   4.727  13.674
  169   3HD2  LEU  22          3HD2      LEU  22   4.065   5.814  13.818
  170    H    GLY  23           H        GLY  23   3.437   4.894   9.922
  171   1HA   GLY  23          1HA       GLY  23   3.605   2.709   9.429
  172   2HA   GLY  23          2HA       GLY  23   5.273   2.806   9.959
  173    H    LYS  24           H        LYS  24   4.232   4.914   7.322
  174    HA   LYS  24           HA       LYS  24   4.869   3.077   5.243
  175   1HB   LYS  24          1HB       LYS  24   3.215   4.920   5.030
  176   2HB   LYS  24          2HB       LYS  24   4.515   6.088   5.154
  177   1HG   LYS  24          1HG       LYS  24   4.373   5.894   2.837
  178   2HG   LYS  24          2HG       LYS  24   5.588   4.674   3.166
  179   1HD   LYS  24          1HD       LYS  24   2.905   3.537   3.442
  180   2HD   LYS  24          2HD       LYS  24   3.085   4.298   1.874
  181   1HE   LYS  24          1HE       LYS  24   5.487   2.761   2.575
  182   2HE   LYS  24          2HE       LYS  24   4.056   1.752   2.643
  183    H    VAL  25           H        VAL  25   6.562   5.726   6.989
  184    HA   VAL  25           HA       VAL  25   8.867   5.521   5.301
  185    HB   VAL  25           HB       VAL  25   8.268   6.957   7.890
  186   1HG1  VAL  25          1HG1      VAL  25  10.819   6.707   6.330
  187   2HG1  VAL  25          2HG1      VAL  25  10.427   8.261   7.106
  188   3HG1  VAL  25          3HG1      VAL  25  10.559   6.783   8.089
  189   1HG2  VAL  25          1HG2      VAL  25   8.479   7.863   5.002
  190   2HG2  VAL  25          2HG2      VAL  25   7.039   7.882   6.049
  191   3HG2  VAL  25          3HG2      VAL  25   8.403   8.973   6.391
  192    H    ALA  26           H        ALA  26   7.550   3.783   7.998
  193    HA   ALA  26           HA       ALA  26  10.066   2.957   9.080
  194   1HB   ALA  26          1HB       ALA  26   8.747   1.699  10.593
  195   2HB   ALA  26          2HB       ALA  26   7.379   1.605   9.457
  196   3HB   ALA  26          3HB       ALA  26   7.771   3.148  10.252
  197    H    LYS  27           H        LYS  27   7.414   1.258   7.252
  198    HA   LYS  27           HA       LYS  27   8.613  -1.123   6.859
  199   1HB   LYS  27          1HB       LYS  27   6.559   0.468   5.506
  200   2HB   LYS  27          2HB       LYS  27   7.383  -0.632   4.419
  201   1HG   LYS  27          1HG       LYS  27   6.389  -1.578   7.133
  202   2HG   LYS  27          2HG       LYS  27   5.310  -1.517   5.754
  203   1HD   LYS  27          1HD       LYS  27   7.950  -2.830   5.253
  204   2HD   LYS  27          2HD       LYS  27   6.892  -3.676   6.365
  205   1HE   LYS  27          1HE       LYS  27   5.732  -2.648   3.768
  206   2HE   LYS  27          2HE       LYS  27   6.725  -4.091   3.728
  207    H    THR  28           H        THR  28   8.989   1.779   4.703
  208    HA   THR  28           HA       THR  28  10.742   0.750   2.895
  209    HB   THR  28           HB       THR  28  10.563   3.511   4.202
  210    HG1  THR  28           HG1      THR  28   8.709   2.673   2.990
  211   1HG2  THR  28          1HG2      THR  28  12.341   2.447   2.039
  212   2HG2  THR  28          2HG2      THR  28  11.435   3.923   1.627
  213   3HG2  THR  28          3HG2      THR  28  12.526   3.912   3.034
  214    H    TYR  29           H        TYR  29  11.687   2.336   6.021
  215    HA   TYR  29           HA       TYR  29  14.410   1.755   5.707
  216   1HB   TYR  29          1HB       TYR  29  13.656   3.449   7.283
  217   2HB   TYR  29          2HB       TYR  29  12.435   2.388   7.957
  218    HD1  TYR  29           HD1      TYR  29  12.848   1.282   9.976
  219    HD2  TYR  29           HD2      TYR  29  16.155   2.740   7.687
  220    HE1  TYR  29           HE1      TYR  29  14.436   0.664  11.863
  221    HE2  TYR  29           HE2      TYR  29  17.732   2.118   9.581
  222    HH   TYR  29           HH       TYR  29  16.595   0.296  12.347
  223    H    GLN  30           H        GLN  30  11.691  -0.026   7.261
  224    HA   GLN  30           HA       GLN  30  13.276  -1.914   8.520
  225   1HB   GLN  30          1HB       GLN  30  10.893  -1.549   9.056
  226   2HB   GLN  30          2HB       GLN  30  10.419  -2.129   7.472
  227   1HG   GLN  30          1HG       GLN  30  10.145  -3.931   9.120
  228   2HG   GLN  30          2HG       GLN  30  11.408  -4.364   7.985
  229   1HE2  GLN  30          2HE2      GLN  30  10.564  -4.231  11.162
  230   2HE2  GLN  30          1HE2      GLN  30  12.119  -4.267  11.926
  231    H    PHE  31           H        PHE  31  12.740  -1.337   5.182
  232    HA   PHE  31           HA       PHE  31  13.395  -4.118   4.529
  233   1HB   PHE  31          1HB       PHE  31  11.511  -2.188   3.557
  234   2HB   PHE  31          2HB       PHE  31  12.755  -2.250   2.324
  235    HD1  PHE  31           HD1      PHE  31   9.977  -3.989   3.850
  236    HD2  PHE  31           HD2      PHE  31  13.244  -4.405   1.175
  237    HE1  PHE  31           HE1      PHE  31   8.941  -6.073   2.910
  238    HE2  PHE  31           HE2      PHE  31  12.209  -6.489   0.234
  239    HZ   PHE  31           HZ       PHE  31  10.069  -7.298   1.113
  240    H    LEU  32           H        LEU  32  14.256  -0.663   3.939
  241    HA   LEU  32           HA       LEU  32  16.316  -1.133   2.137
  242   1HB   LEU  32          1HB       LEU  32  15.283   1.058   3.743
  243   2HB   LEU  32          2HB       LEU  32  17.029   1.121   3.609
  244    HG   LEU  32           HG       LEU  32  15.647   0.612   1.054
  245   1HD1  LEU  32          1HD1      LEU  32  14.265   2.340   2.589
  246   2HD1  LEU  32          2HD1      LEU  32  15.457   3.454   1.876
  247   3HD1  LEU  32          3HD1      LEU  32  14.404   2.482   0.820
  248   1HD2  LEU  32          1HD2      LEU  32  18.070   1.034   1.265
  249   2HD2  LEU  32          2HD2      LEU  32  17.254   2.221   0.219
  250   3HD2  LEU  32          3HD2      LEU  32  17.716   2.666   1.879
  251    H    PHE  33           H        PHE  33  16.262  -1.066   5.741
  252    HA   PHE  33           HA       PHE  33  18.952  -1.183   6.213
  253   1HB   PHE  33          1HB       PHE  33  16.706  -1.189   7.700
  254   2HB   PHE  33          2HB       PHE  33  16.916  -2.929   7.675
  255    HD1  PHE  33           HD1      PHE  33  18.125  -3.897   9.383
  256    HD2  PHE  33           HD2      PHE  33  18.901   0.155   8.388
  257    HE1  PHE  33           HE1      PHE  33  19.728  -3.731  11.307
  258    HE2  PHE  33           HE2      PHE  33  20.504   0.321  10.312
  259    HZ   PHE  33           HZ       PHE  33  20.899  -1.624  11.749
  260    H    SER  34           H        SER  34  16.669  -3.881   5.444
  261    HA   SER  34           HA       SER  34  18.580  -5.878   5.820
  262   1HB   SER  34          1HB       SER  34  15.865  -5.671   4.558
  263   2HB   SER  34          2HB       SER  34  16.835  -7.060   4.113
  264    HG   SER  34           HG       SER  34  16.115  -7.908   5.942
  265    H    ILE  35           H        ILE  35  17.213  -4.361   2.803
  266    HA   ILE  35           HA       ILE  35  18.716  -5.684   0.957
  267    HB   ILE  35           HB       ILE  35  17.781  -2.814   0.980
  268   1HG1  ILE  35          1HG1      ILE  35  16.459  -5.039  -0.531
  269   2HG1  ILE  35          2HG1      ILE  35  16.185  -4.917   1.196
  270   1HG2  ILE  35          1HG2      ILE  35  18.872  -4.508  -1.276
  271   2HG2  ILE  35          2HG2      ILE  35  17.906  -3.033  -1.524
  272   3HG2  ILE  35          3HG2      ILE  35  19.474  -2.940  -0.685
  273   1HD1  ILE  35          1HD1      ILE  35  15.888  -2.490  -0.610
  274   2HD1  ILE  35          2HD1      ILE  35  14.552  -3.641  -0.366
  275   3HD1  ILE  35          3HD1      ILE  35  15.219  -2.745   1.020
  276    H    GLY  36           H        GLY  36  19.628  -2.265   1.275
  277   1HA   GLY  36          1HA       GLY  36  22.207  -2.796   2.416
  278   2HA   GLY  36          2HA       GLY  36  21.608  -1.280   1.773
  279    H    ARG  37           H        ARG  37  23.360  -4.267   1.078
  280    HA   ARG  37           HA       ARG  37  23.552  -3.621  -1.705
  281   1HB   ARG  37          1HB       ARG  37  25.723  -3.057   0.275
  282   2HB   ARG  37          2HB       ARG  37  26.248  -3.902  -1.168
  283   1HG   ARG  37          1HG       ARG  37  25.095  -2.126  -2.567
  284   2HG   ARG  37          2HG       ARG  37  24.720  -1.258  -1.091
  285   1HD   ARG  37          1HD       ARG  37  27.487  -1.794  -0.882
  286   2HD   ARG  37          2HD       ARG  37  27.258  -1.393  -2.573
  287    HE   ARG  37           HE       ARG  37  25.833   0.599  -1.370
  288   1HH1  ARG  37          1HH1      ARG  37  26.638   2.590  -0.589
  289   2HH1  ARG  37          2HH1      ARG  37  28.283   2.710  -0.059
  290   1HH2  ARG  37          1HH2      ARG  37  29.057  -0.659  -0.735
  291   2HH2  ARG  37          2HH2      ARG  37  29.668   0.850  -0.143
  292    H    CYS  38           H        CYS  38  22.549  -5.761  -1.863
  293    HA   CYS  38           HA       CYS  38  24.401  -7.918  -1.147
  294   1HB   CYS  38          1HB       CYS  38  22.427  -9.400  -0.988
  295   2HB   CYS  38          2HB       CYS  38  22.394  -8.104   0.191
  296    HG   CYS  38           HG       CYS  38  20.098  -8.935  -1.388
  297    HA   PRO  39           HA       PRO  39  24.408  -8.774  -5.419
  298   1HB   PRO  39          1HB       PRO  39  25.151 -11.404  -5.451
  299   2HB   PRO  39          2HB       PRO  39  26.290 -10.089  -5.236
  300   1HG   PRO  39          1HG       PRO  39  25.235 -11.976  -3.219
  301   2HG   PRO  39          2HG       PRO  39  26.657 -10.956  -3.130
  302   1HD   PRO  39          1HD       PRO  39  24.134 -10.498  -1.846
  303   2HD   PRO  39          2HD       PRO  39  25.517  -9.422  -1.853
  304    H    ILE  40           H        ILE  40  23.107 -11.711  -3.935
  305    HA   ILE  40           HA       ILE  40  21.440 -13.006  -4.677
  306    HB   ILE  40           HB       ILE  40  19.960 -10.376  -4.597
  307   1HG1  ILE  40          1HG1      ILE  40  21.344 -10.557  -2.611
  308   2HG1  ILE  40          2HG1      ILE  40  19.657 -10.789  -2.199
  309   1HG2  ILE  40          1HG2      ILE  40  19.137 -13.261  -4.452
  310   2HG2  ILE  40          2HG2      ILE  40  18.184 -12.010  -3.618
  311   3HG2  ILE  40          3HG2      ILE  40  18.426 -11.918  -5.379
  312   1HD1  ILE  40          1HD1      ILE  40  20.695 -13.376  -2.856
  313   2HD1  ILE  40          2HD1      ILE  40  21.875 -12.592  -1.778
  314   3HD1  ILE  40          3HD1      ILE  40  20.182 -12.778  -1.260
  315    H    LEU  41           H        LEU  41  23.166 -12.113  -6.818
  316    HA   LEU  41           HA       LEU  41  23.252 -12.073  -9.023
  317   1HB   LEU  41          1HB       LEU  41  20.798 -13.603  -8.441
  318   2HB   LEU  41          2HB       LEU  41  20.913 -12.974 -10.073
  319    HG   LEU  41           HG       LEU  41  23.180 -14.070 -10.253
  320   1HD1  LEU  41          1HD1      LEU  41  22.582 -14.690  -7.462
  321   2HD1  LEU  41          2HD1      LEU  41  23.030 -16.127  -8.412
  322   3HD1  LEU  41          3HD1      LEU  41  24.127 -14.727  -8.345
  323   1HD2  LEU  41          1HD2      LEU  41  20.624 -15.622  -9.922
  324   2HD2  LEU  41          2HD2      LEU  41  21.488 -15.162 -11.409
  325   3HD2  LEU  41          3HD2      LEU  41  22.144 -16.440 -10.358
  326    H    ALA  42           H        ALA  42  23.217  -9.641  -8.428
  327    HA   ALA  42           HA       ALA  42  21.689  -8.330 -10.372
  328   1HB   ALA  42          1HB       ALA  42  20.774  -7.783  -7.523
  329   2HB   ALA  42          2HB       ALA  42  20.117  -7.093  -9.026
  330   3HB   ALA  42          3HB       ALA  42  19.884  -8.820  -8.663
  331    H    THR  43           H        THR  43  24.031  -7.875 -10.674
  332    HA   THR  43           HA       THR  43  24.766  -5.520  -9.099
  333    HB   THR  43           HB       THR  43  27.074  -6.430  -8.853
  334    HG1  THR  43           HG1      THR  43  25.799  -8.840  -9.927
  335   1HG2  THR  43          1HG2      THR  43  24.927  -8.433  -7.976
  336   2HG2  THR  43          2HG2      THR  43  26.605  -8.415  -7.384
  337   3HG2  THR  43          3HG2      THR  43  25.517  -7.056  -7.015
  338    H    GLN  44           H        GLN  44  25.751  -7.633 -11.881
  339    HA   GLN  44           HA       GLN  44  25.338  -5.594 -13.712
  340   1HB   GLN  44          1HB       GLN  44  27.550  -4.923 -12.350
  341   2HB   GLN  44          2HB       GLN  44  28.304  -6.055 -13.454
  342   1HG   GLN  44          1HG       GLN  44  28.439  -3.904 -14.521
  343   2HG   GLN  44          2HG       GLN  44  27.194  -4.789 -15.379
  344   1HE2  GLN  44          2HE2      GLN  44  25.977  -3.140 -16.076
  345   2HE2  GLN  44          1HE2      GLN  44  25.107  -2.035 -15.066
  346    H    GLY  45           H        GLY  45  24.284  -7.463 -14.654
  347   1HA   GLY  45          1HA       GLY  45  24.944  -9.928 -15.141
  348   2HA   GLY  45          2HA       GLY  45  26.166  -9.162 -16.136
  349    HA   PRO  46           HA       PRO  46  23.181  -8.789 -19.263
  350   1HB   PRO  46          1HB       PRO  46  23.170 -11.222 -20.506
  351   2HB   PRO  46          2HB       PRO  46  24.416 -10.018 -20.767
  352   1HG   PRO  46          1HG       PRO  46  24.554 -12.515 -19.191
  353   2HG   PRO  46          2HG       PRO  46  25.867 -11.535 -19.811
  354   1HD   PRO  46          1HD       PRO  46  24.929 -11.633 -17.102
  355   2HD   PRO  46          2HD       PRO  46  26.164 -10.569 -17.746
  356    H    THR  47           H        THR  47  21.071  -9.374 -20.235
  357    HA   THR  47           HA       THR  47  19.447 -10.491 -18.065
  358    HB   THR  47           HB       THR  47  18.992  -8.161 -18.945
  359    HG1  THR  47           HG1      THR  47  16.706  -8.716 -19.161
  360   1HG2  THR  47          1HG2      THR  47  19.544  -8.909 -21.421
  361   2HG2  THR  47          2HG2      THR  47  17.881  -9.542 -21.416
  362   3HG2  THR  47          3HG2      THR  47  18.173  -7.807 -21.151
  363    H    CYS  48           H        CYS  48  18.592 -12.469 -18.172
  364    HA   CYS  48           HA       CYS  48  17.948 -14.410 -18.965
  365   1HB   CYS  48          1HB       CYS  48  17.290 -12.636 -21.280
  366   2HB   CYS  48          2HB       CYS  48  17.262 -14.367 -21.554
  367    HG   CYS  48           HG       CYS  48  16.064 -13.683 -18.698
  368    H    SER  49           H        SER  49  18.835 -16.301 -20.089
  369    HA   SER  49           HA       SER  49  21.561 -15.819 -20.872
  370   1HB   SER  49          1HB       SER  49  21.905 -18.169 -20.535
  371   2HB   SER  49          2HB       SER  49  20.869 -17.634 -19.227
  372    HG   SER  49           HG       SER  49  20.057 -19.017 -21.638

  No H/Q in entry =         372
  Start of MODEL   17
    1    H    MET   1           H        MET   1 -34.716   1.450  23.106
    2    HA   MET   1           HA       MET   1 -33.633  -0.967  24.191
    3   1HB   MET   1          1HB       MET   1 -34.065   0.172  21.607
    4   2HB   MET   1          2HB       MET   1 -32.322   0.079  21.768
    5   1HG   MET   1          1HG       MET   1 -32.306  -2.219  21.690
    6   2HG   MET   1          2HG       MET   1 -33.723  -2.365  22.711
    7   1HE   MET   1          1HE       MET   1 -33.556  -4.376  20.728
    8   2HE   MET   1          2HE       MET   1 -34.273  -4.141  19.115
    9   3HE   MET   1          3HE       MET   1 -32.636  -3.532  19.459
   10    H    VAL   2           H        VAL   2 -31.099  -1.266  23.841
   11    HA   VAL   2           HA       VAL   2 -29.852   1.054  25.132
   12    HB   VAL   2           HB       VAL   2 -29.129  -1.883  25.153
   13   1HG1  VAL   2          1HG1      VAL   2 -27.130  -0.454  25.259
   14   2HG1  VAL   2          2HG1      VAL   2 -27.838   0.439  26.626
   15   3HG1  VAL   2          3HG1      VAL   2 -27.422  -1.282  26.807
   16   1HG2  VAL   2          1HG2      VAL   2 -31.183  -0.941  26.483
   17   2HG2  VAL   2          2HG2      VAL   2 -30.033  -2.042  27.280
   18   3HG2  VAL   2          3HG2      VAL   2 -29.934  -0.288  27.572
   19    H    ALA   3           H        ALA   3 -27.839   1.844  24.362
   20    HA   ALA   3           HA       ALA   3 -26.158   2.142  22.923
   21   1HB   ALA   3          1HB       ALA   3 -27.032  -0.137  21.157
   22   2HB   ALA   3          2HB       ALA   3 -25.391   0.425  21.552
   23   3HB   ALA   3          3HB       ALA   3 -26.331  -0.490  22.754
   24    H    ALA   4           H        ALA   4 -26.033   3.625  21.249
   25    HA   ALA   4           HA       ALA   4 -28.569   4.313  20.037
   26   1HB   ALA   4          1HB       ALA   4 -26.055   5.631  20.745
   27   2HB   ALA   4          2HB       ALA   4 -26.576   6.037  19.092
   28   3HB   ALA   4          3HB       ALA   4 -27.667   6.332  20.467
   29    H    ALA   5           H        ALA   5 -25.160   3.793  18.866
   30    HA   ALA   5           HA       ALA   5 -24.398   2.751  17.058
   31   1HB   ALA   5          1HB       ALA   5 -26.864   1.789  15.844
   32   2HB   ALA   5          2HB       ALA   5 -25.498   0.865  16.513
   33   3HB   ALA   5          3HB       ALA   5 -26.816   1.405  17.581
   34    H    MET   6           H        MET   6 -23.705   4.582  15.966
   35    HA   MET   6           HA       MET   6 -23.652   6.131  14.444
   36   1HB   MET   6          1HB       MET   6 -25.864   4.343  13.359
   37   2HB   MET   6          2HB       MET   6 -25.493   5.835  12.518
   38   1HG   MET   6          1HG       MET   6 -23.187   4.031  13.252
   39   2HG   MET   6          2HG       MET   6 -24.226   3.529  11.934
   40   1HE   MET   6          1HE       MET   6 -21.160   4.395  12.258
   41   2HE   MET   6          2HE       MET   6 -20.701   5.824  11.301
   42   3HE   MET   6          3HE       MET   6 -21.316   6.023  12.959
   43    H    LEU   7           H        LEU   7 -24.296   7.674  16.164
   44    HA   LEU   7           HA       LEU   7 -26.978   8.381  16.564
   45   1HB   LEU   7          1HB       LEU   7 -25.842  10.526  17.455
   46   2HB   LEU   7          2HB       LEU   7 -25.626   8.999  18.287
   47    HG   LEU   7           HG       LEU   7 -23.554   9.484  16.272
   48   1HD1  LEU   7          1HD1      LEU   7 -24.021  11.827  16.919
   49   2HD1  LEU   7          2HD1      LEU   7 -23.694  11.399  18.616
   50   3HD1  LEU   7          3HD1      LEU   7 -22.398  11.278  17.402
   51   1HD2  LEU   7          1HD2      LEU   7 -23.623   8.746  19.201
   52   2HD2  LEU   7          2HD2      LEU   7 -23.235   7.717  17.802
   53   3HD2  LEU   7          3HD2      LEU   7 -22.107   8.999  18.302
   54    H    LEU   8           H        LEU   8 -24.361   9.857  14.530
   55    HA   LEU   8           HA       LEU   8 -26.206  10.530  12.507
   56   1HB   LEU   8          1HB       LEU   8 -26.725  12.211  14.352
   57   2HB   LEU   8          2HB       LEU   8 -25.151  12.909  14.024
   58    HG   LEU   8           HG       LEU   8 -27.225  12.570  11.854
   59   1HD1  LEU   8          1HD1      LEU   8 -27.327  14.361  14.124
   60   2HD1  LEU   8          2HD1      LEU   8 -27.194  15.269  12.599
   61   3HD1  LEU   8          3HD1      LEU   8 -28.514  14.096  12.824
   62   1HD2  LEU   8          1HD2      LEU   8 -24.947  12.943  11.089
   63   2HD2  LEU   8          2HD2      LEU   8 -25.960  14.369  10.760
   64   3HD2  LEU   8          3HD2      LEU   8 -24.814  14.387  12.122
   65    H    ARG   9           H        ARG   9 -24.678   9.417  11.234
   66    HA   ARG   9           HA       ARG   9 -22.384  11.054  10.646
   67   1HB   ARG   9          1HB       ARG   9 -22.284   8.202  11.659
   68   2HB   ARG   9          2HB       ARG   9 -21.094   8.704  10.475
   69   1HG   ARG   9          1HG       ARG   9 -21.162  10.820  12.360
   70   2HG   ARG   9          2HG       ARG   9 -21.259   9.363  13.328
   71   1HD   ARG   9          1HD       ARG   9 -19.206   9.575  11.098
   72   2HD   ARG   9          2HD       ARG   9 -18.887  10.300  12.661
   73    HE   ARG   9           HE       ARG   9 -19.687   7.758  13.353
   74   1HH1  ARG   9          1HH1      ARG   9 -18.325   5.933  13.545
   75   2HH1  ARG   9          2HH1      ARG   9 -16.855   5.849  12.633
   76   1HH2  ARG   9          1HH2      ARG   9 -17.300   8.974  11.070
   77   2HH2  ARG   9          2HH2      ARG   9 -16.268   7.591  11.216
   78    H    SER  10           H        SER  10 -23.254   7.624   9.830
   79    HA   SER  10           HA       SER  10 -24.125   6.758   8.004
   80   1HB   SER  10          1HB       SER  10 -25.134   9.262   7.716
   81   2HB   SER  10          2HB       SER  10 -24.053   9.250   6.337
   82    HG   SER  10           HG       SER  10 -26.458   8.304   6.303
   83    H    CYS  11           H        CYS  11 -21.234   8.440   8.407
   84    HA   CYS  11           HA       CYS  11 -20.180   7.641   5.812
   85   1HB   CYS  11          1HB       CYS  11 -18.355   9.101   6.206
   86   2HB   CYS  11          2HB       CYS  11 -19.788   9.977   6.705
   87    HG   CYS  11           HG       CYS  11 -19.331   8.526   9.233
   88    HA   PRO  12           HA       PRO  12 -18.168   4.262   7.685
   89   1HB   PRO  12          1HB       PRO  12 -16.083   3.838   5.970
   90   2HB   PRO  12          2HB       PRO  12 -17.717   3.293   5.646
   91   1HG   PRO  12          1HG       PRO  12 -16.254   5.573   4.461
   92   2HG   PRO  12          2HG       PRO  12 -17.689   4.761   3.867
   93   1HD   PRO  12          1HD       PRO  12 -17.579   7.303   5.192
   94   2HD   PRO  12          2HD       PRO  12 -19.022   6.438   4.702
   95    H    VAL  13           H        VAL  13 -16.146   3.377   8.679
   96    HA   VAL  13           HA       VAL  13 -14.990   5.554  10.143
   97    HB   VAL  13           HB       VAL  13 -15.614   3.498  11.247
   98   1HG1  VAL  13          1HG1      VAL  13 -14.133   2.271   9.022
   99   2HG1  VAL  13          2HG1      VAL  13 -13.750   1.571  10.613
  100   3HG1  VAL  13          3HG1      VAL  13 -15.435   1.610  10.040
  101   1HG2  VAL  13          1HG2      VAL  13 -12.736   4.323  11.179
  102   2HG2  VAL  13          2HG2      VAL  13 -13.932   4.444  12.492
  103   3HG2  VAL  13          3HG2      VAL  13 -13.183   2.875  12.113
  104    H    LEU  14           H        LEU  14 -14.127   3.411   7.433
  105    HA   LEU  14           HA       LEU  14 -11.421   4.509   7.453
  106   1HB   LEU  14          1HB       LEU  14 -10.945   2.767   5.802
  107   2HB   LEU  14          2HB       LEU  14 -11.527   2.131   7.327
  108    HG   LEU  14           HG       LEU  14 -13.756   2.508   5.535
  109   1HD1  LEU  14          1HD1      LEU  14 -11.662   2.178   3.948
  110   2HD1  LEU  14          2HD1      LEU  14 -11.896   0.470   4.391
  111   3HD1  LEU  14          3HD1      LEU  14 -13.220   1.380   3.624
  112   1HD2  LEU  14          1HD2      LEU  14 -12.487   0.231   7.032
  113   2HD2  LEU  14          2HD2      LEU  14 -14.068   1.012   7.277
  114   3HD2  LEU  14          3HD2      LEU  14 -13.813  -0.064   5.882
  115    H    SER  15           H        SER  15 -13.587   6.309   6.916
  116    HA   SER  15           HA       SER  15 -13.905   6.508   4.117
  117   1HB   SER  15          1HB       SER  15 -15.562   7.353   5.807
  118   2HB   SER  15          2HB       SER  15 -14.416   8.587   6.291
  119    HG   SER  15           HG       SER  15 -15.095   9.785   4.663
  120    H    GLN  16           H        GLN  16 -11.287   6.267   4.122
  121    HA   GLN  16           HA       GLN  16  -9.315   7.164   3.831
  122   1HB   GLN  16          1HB       GLN  16 -11.237   8.777   2.244
  123   2HB   GLN  16          2HB       GLN  16  -9.681   9.549   2.476
  124   1HG   GLN  16          1HG       GLN  16  -8.904   8.261   0.774
  125   2HG   GLN  16          2HG       GLN  16  -8.988   6.898   1.872
  126   1HE2  GLN  16          2HE2      GLN  16 -10.943   8.848  -0.354
  127   2HE2  GLN  16          1HE2      GLN  16 -11.965   7.576  -0.932
  128    H    GLY  17           H        GLY  17  -9.053   7.516   6.202
  129   1HA   GLY  17          1HA       GLY  17  -9.359   9.087   8.035
  130   2HA   GLY  17          2HA       GLY  17  -9.091  10.393   6.897
  131    HA   PRO  18           HA       PRO  18  -5.082   8.843   8.700
  132   1HB   PRO  18          1HB       PRO  18  -4.708   6.231   9.409
  133   2HB   PRO  18          2HB       PRO  18  -5.341   7.441  10.508
  134   1HG   PRO  18          1HG       PRO  18  -6.785   5.278   9.103
  135   2HG   PRO  18          2HG       PRO  18  -7.290   6.208  10.499
  136   1HD   PRO  18          1HD       PRO  18  -8.195   6.540   7.797
  137   2HD   PRO  18          2HD       PRO  18  -8.611   7.543   9.172
  138    H    THR  19           H        THR  19  -3.522   9.184   7.262
  139    HA   THR  19           HA       THR  19  -3.518   7.404   4.960
  140    HB   THR  19           HB       THR  19  -3.421   9.828   4.565
  141    HG1  THR  19           HG1      THR  19  -1.410   9.703   3.360
  142   1HG2  THR  19          1HG2      THR  19  -1.374   9.686   6.741
  143   2HG2  THR  19          2HG2      THR  19  -0.922  10.694   5.346
  144   3HG2  THR  19          3HG2      THR  19  -2.411  11.047   6.254
  145    H    GLY  20           H        GLY  20  -1.715   8.027   7.938
  146   1HA   GLY  20          1HA       GLY  20  -0.176   5.619   7.467
  147   2HA   GLY  20          2HA       GLY  20  -0.237   6.589   8.925
  148    H    LEU  21           H        LEU  21   0.871   8.795   8.850
  149    HA   LEU  21           HA       LEU  21   2.984   8.915   6.847
  150   1HB   LEU  21          1HB       LEU  21   1.550  10.838   8.565
  151   2HB   LEU  21          2HB       LEU  21   3.263  11.149   8.367
  152    HG   LEU  21           HG       LEU  21   1.621  10.614   5.919
  153   1HD1  LEU  21          1HD1      LEU  21   0.542  12.365   7.599
  154   2HD1  LEU  21          2HD1      LEU  21   1.768  13.435   6.877
  155   3HD1  LEU  21          3HD1      LEU  21   0.565  12.632   5.840
  156   1HD2  LEU  21          1HD2      LEU  21   4.275  11.458   6.502
  157   2HD2  LEU  21          2HD2      LEU  21   3.507  11.203   4.916
  158   3HD2  LEU  21          3HD2      LEU  21   3.437  12.804   5.692
  159    H    LEU  22           H        LEU  22   3.471   6.729   8.295
  160    HA   LEU  22           HA       LEU  22   5.895   7.390   9.602
  161   1HB   LEU  22          1HB       LEU  22   4.243   7.964  11.370
  162   2HB   LEU  22          2HB       LEU  22   3.690   6.301  11.357
  163    HG   LEU  22           HG       LEU  22   6.517   6.240  11.702
  164   1HD1  LEU  22          1HD1      LEU  22   5.836   8.705  12.479
  165   2HD1  LEU  22          2HD1      LEU  22   5.434   7.826  13.974
  166   3HD1  LEU  22          3HD1      LEU  22   7.082   7.740  13.307
  167   1HD2  LEU  22          1HD2      LEU  22   4.070   5.407  13.156
  168   2HD2  LEU  22          2HD2      LEU  22   5.513   4.474  12.691
  169   3HD2  LEU  22          3HD2      LEU  22   5.562   5.538  14.117
  170    H    GLY  23           H        GLY  23   3.329   4.812   9.736
  171   1HA   GLY  23          1HA       GLY  23   3.366   2.676   9.027
  172   2HA   GLY  23          2HA       GLY  23   4.958   2.615   9.756
  173    H    LYS  24           H        LYS  24   4.158   4.790   7.029
  174    HA   LYS  24           HA       LYS  24   5.084   3.002   5.029
  175   1HB   LYS  24          1HB       LYS  24   3.420   4.803   4.646
  176   2HB   LYS  24          2HB       LYS  24   4.664   6.004   4.928
  177   1HG   LYS  24          1HG       LYS  24   6.017   4.885   3.048
  178   2HG   LYS  24          2HG       LYS  24   4.592   3.929   2.693
  179   1HD   LYS  24          1HD       LYS  24   3.886   6.760   2.934
  180   2HD   LYS  24          2HD       LYS  24   5.174   6.550   1.764
  181   1HE   LYS  24          1HE       LYS  24   3.801   4.745   0.636
  182   2HE   LYS  24          2HE       LYS  24   2.499   5.070   1.764
  183    H    VAL  25           H        VAL  25   6.519   5.658   6.978
  184    HA   VAL  25           HA       VAL  25   8.994   5.531   5.541
  185    HB   VAL  25           HB       VAL  25   8.235   6.868   8.147
  186   1HG1  VAL  25          1HG1      VAL  25  10.783   6.439   7.065
  187   2HG1  VAL  25          2HG1      VAL  25  10.378   8.117   6.633
  188   3HG1  VAL  25          3HG1      VAL  25  10.337   7.602   8.336
  189   1HG2  VAL  25          1HG2      VAL  25   7.954   7.661   5.273
  190   2HG2  VAL  25          2HG2      VAL  25   6.880   7.972   6.658
  191   3HG2  VAL  25          3HG2      VAL  25   8.377   8.916   6.463
  192    H    ALA  26           H        ALA  26   7.454   3.822   8.175
  193    HA   ALA  26           HA       ALA  26   9.868   2.998   9.446
  194   1HB   ALA  26          1HB       ALA  26   8.359   1.507  10.694
  195   2HB   ALA  26          2HB       ALA  26   7.043   1.866   9.551
  196   3HB   ALA  26          3HB       ALA  26   7.683   3.151  10.603
  197    H    LYS  27           H        LYS  27   7.384   1.203   7.480
  198    HA   LYS  27           HA       LYS  27   8.761  -1.120   7.180
  199   1HB   LYS  27          1HB       LYS  27   6.555   0.246   5.855
  200   2HB   LYS  27          2HB       LYS  27   7.477  -0.726   4.726
  201   1HG   LYS  27          1HG       LYS  27   6.810  -2.700   5.681
  202   2HG   LYS  27          2HG       LYS  27   7.014  -2.093   7.313
  203   1HD   LYS  27          1HD       LYS  27   4.828  -1.326   7.461
  204   2HD   LYS  27          2HD       LYS  27   4.740  -0.911   5.760
  205   1HE   LYS  27          1HE       LYS  27   3.270  -2.814   6.137
  206   2HE   LYS  27          2HE       LYS  27   4.640  -3.375   5.200
  207    H    THR  28           H        THR  28   8.861   1.714   4.903
  208    HA   THR  28           HA       THR  28  10.690   0.801   3.128
  209    HB   THR  28           HB       THR  28  10.244   3.559   4.368
  210    HG1  THR  28           HG1      THR  28   8.637   2.249   3.010
  211   1HG2  THR  28          1HG2      THR  28  12.484   2.833   2.796
  212   2HG2  THR  28          2HG2      THR  28  11.308   3.480   1.626
  213   3HG2  THR  28          3HG2      THR  28  11.836   4.478   3.002
  214    H    TYR  29           H        TYR  29  11.561   2.599   6.162
  215    HA   TYR  29           HA       TYR  29  14.302   2.234   5.858
  216   1HB   TYR  29          1HB       TYR  29  12.700   3.668   7.464
  217   2HB   TYR  29          2HB       TYR  29  12.749   2.256   8.501
  218    HD1  TYR  29           HD1      TYR  29  14.698   1.735   9.817
  219    HD2  TYR  29           HD2      TYR  29  14.785   4.968   7.016
  220    HE1  TYR  29           HE1      TYR  29  16.875   2.566  10.833
  221    HE2  TYR  29           HE2      TYR  29  16.962   5.788   8.042
  222    HH   TYR  29           HH       TYR  29  18.228   5.642   9.927
  223    H    GLN  30           H        GLN  30  11.753   0.079   7.081
  224    HA   GLN  30           HA       GLN  30  13.743  -1.688   8.186
  225   1HB   GLN  30          1HB       GLN  30  11.144  -1.086   8.919
  226   2HB   GLN  30          2HB       GLN  30  10.921  -2.605   8.074
  227   1HG   GLN  30          1HG       GLN  30  11.914  -3.803   9.742
  228   2HG   GLN  30          2HG       GLN  30  13.268  -2.696   9.847
  229   1HE2  GLN  30          2HE2      GLN  30  12.351  -3.763  12.109
  230   2HE2  GLN  30          1HE2      GLN  30  11.501  -2.613  13.086
  231    H    PHE  31           H        PHE  31  13.349  -1.032   5.186
  232    HA   PHE  31           HA       PHE  31  13.045  -3.825   4.332
  233   1HB   PHE  31          1HB       PHE  31  11.239  -2.014   3.696
  234   2HB   PHE  31          2HB       PHE  31  12.489  -1.274   2.716
  235    HD1  PHE  31           HD1      PHE  31  13.768  -3.181   1.195
  236    HD2  PHE  31           HD2      PHE  31   9.741  -3.299   2.527
  237    HE1  PHE  31           HE1      PHE  31  13.184  -4.712  -0.707
  238    HE2  PHE  31           HE2      PHE  31   9.156  -4.830   0.626
  239    HZ   PHE  31           HZ       PHE  31  10.885  -5.518  -0.968
  240    H    LEU  32           H        LEU  32  14.645  -0.633   3.855
  241    HA   LEU  32           HA       LEU  32  16.569  -1.885   2.069
  242   1HB   LEU  32          1HB       LEU  32  16.228   0.994   2.918
  243   2HB   LEU  32          2HB       LEU  32  17.371   0.405   1.727
  244    HG   LEU  32           HG       LEU  32  14.737  -0.486   0.996
  245   1HD1  LEU  32          1HD1      LEU  32  14.226   1.599   2.479
  246   2HD1  LEU  32          2HD1      LEU  32  14.824   2.514   1.074
  247   3HD1  LEU  32          3HD1      LEU  32  13.434   1.417   0.895
  248   1HD2  LEU  32          1HD2      LEU  32  17.026   0.966  -0.164
  249   2HD2  LEU  32          2HD2      LEU  32  16.014  -0.331  -0.844
  250   3HD2  LEU  32          3HD2      LEU  32  15.444   1.355  -0.881
  251    H    PHE  33           H        PHE  33  16.273  -2.515   5.035
  252    HA   PHE  33           HA       PHE  33  18.930  -1.604   5.880
  253   1HB   PHE  33          1HB       PHE  33  16.913  -1.010   7.301
  254   2HB   PHE  33          2HB       PHE  33  16.487  -2.707   7.394
  255    HD1  PHE  33           HD1      PHE  33  17.727  -4.226   8.826
  256    HD2  PHE  33           HD2      PHE  33  18.792  -0.126   8.578
  257    HE1  PHE  33           HE1      PHE  33  19.131  -4.466  10.893
  258    HE2  PHE  33           HE2      PHE  33  20.196  -0.365  10.645
  259    HZ   PHE  33           HZ       PHE  33  20.349  -2.532  11.778
  260    H    SER  34           H        SER  34  16.667  -4.442   6.175
  261    HA   SER  34           HA       SER  34  19.025  -6.110   6.412
  262   1HB   SER  34          1HB       SER  34  16.883  -6.154   7.977
  263   2HB   SER  34          2HB       SER  34  16.188  -7.120   6.691
  264    HG   SER  34           HG       SER  34  18.440  -8.320   6.964
  265    H    ILE  35           H        ILE  35  19.162  -5.363   3.928
  266    HA   ILE  35           HA       ILE  35  17.383  -6.499   2.096
  267    HB   ILE  35           HB       ILE  35  20.265  -5.642   1.829
  268   1HG1  ILE  35          1HG1      ILE  35  18.764  -3.780   0.532
  269   2HG1  ILE  35          2HG1      ILE  35  17.661  -4.228   1.818
  270   1HG2  ILE  35          1HG2      ILE  35  18.543  -7.031  -0.039
  271   2HG2  ILE  35          2HG2      ILE  35  18.992  -5.421  -0.652
  272   3HG2  ILE  35          3HG2      ILE  35  20.259  -6.580  -0.184
  273   1HD1  ILE  35          1HD1      ILE  35  20.502  -3.831   2.655
  274   2HD1  ILE  35          2HD1      ILE  35  19.636  -2.372   2.118
  275   3HD1  ILE  35          3HD1      ILE  35  18.997  -3.340   3.468
  276    H    GLY  36           H        GLY  36  19.845  -7.883   4.129
  277   1HA   GLY  36          1HA       GLY  36  21.112  -9.848   3.654
  278   2HA   GLY  36          2HA       GLY  36  19.916 -10.319   2.463
  279    H    ARG  37           H        ARG  37  21.048 -11.145   5.431
  280    HA   ARG  37           HA       ARG  37  18.401 -12.026   6.262
  281   1HB   ARG  37          1HB       ARG  37  20.715 -13.537   5.692
  282   2HB   ARG  37          2HB       ARG  37  20.678 -13.489   7.443
  283   1HG   ARG  37          1HG       ARG  37  18.390 -14.380   7.482
  284   2HG   ARG  37          2HG       ARG  37  18.265 -14.260   5.738
  285   1HD   ARG  37          1HD       ARG  37  20.526 -15.797   5.928
  286   2HD   ARG  37          2HD       ARG  37  19.716 -16.285   7.403
  287    HE   ARG  37           HE       ARG  37  18.078 -17.372   6.126
  288   1HH1  ARG  37          1HH1      ARG  37  17.117 -18.126   4.194
  289   2HH1  ARG  37          2HH1      ARG  37  17.575 -17.435   2.673
  290   1HH2  ARG  37          1HH2      ARG  37  19.891 -15.173   4.063
  291   2HH2  ARG  37          2HH2      ARG  37  19.163 -15.744   2.598
  292    H    CYS  38           H        CYS  38  21.448 -10.444   7.154
  293    HA   CYS  38           HA       CYS  38  20.512  -8.950   9.159
  294   1HB   CYS  38          1HB       CYS  38  20.673 -11.701  10.098
  295   2HB   CYS  38          2HB       CYS  38  21.718 -10.654  11.038
  296    HG   CYS  38           HG       CYS  38  19.082 -11.104  11.888
  297    HA   PRO  39           HA       PRO  39  25.216  -9.590   9.392
  298   1HB   PRO  39          1HB       PRO  39  26.377 -11.733   8.156
  299   2HB   PRO  39          2HB       PRO  39  25.952 -11.722   9.856
  300   1HG   PRO  39          1HG       PRO  39  24.591 -13.086   7.614
  301   2HG   PRO  39          2HG       PRO  39  24.451 -13.394   9.333
  302   1HD   PRO  39          1HD       PRO  39  22.563 -12.006   7.678
  303   2HD   PRO  39          2HD       PRO  39  22.480 -12.213   9.417
  304    H    ILE  40           H        ILE  40  26.828  -8.544   8.215
  305    HA   ILE  40           HA       ILE  40  25.858  -7.794   5.611
  306    HB   ILE  40           HB       ILE  40  28.200  -6.930   7.301
  307   1HG1  ILE  40          1HG1      ILE  40  25.962  -6.250   8.087
  308   2HG1  ILE  40          2HG1      ILE  40  26.956  -4.888   7.610
  309   1HG2  ILE  40          1HG2      ILE  40  27.470  -6.220   4.474
  310   2HG2  ILE  40          2HG2      ILE  40  28.254  -5.024   5.533
  311   3HG2  ILE  40          3HG2      ILE  40  29.064  -6.570   5.184
  312   1HD1  ILE  40          1HD1      ILE  40  25.724  -5.424   5.222
  313   2HD1  ILE  40          2HD1      ILE  40  24.463  -5.946   6.364
  314   3HD1  ILE  40          3HD1      ILE  40  25.086  -4.280   6.426
  315    H    LEU  41           H        LEU  41  28.467  -9.768   7.068
  316    HA   LEU  41           HA       LEU  41  28.749 -11.216   4.646
  317   1HB   LEU  41          1HB       LEU  41  30.285  -8.878   4.823
  318   2HB   LEU  41          2HB       LEU  41  31.391 -10.183   5.205
  319    HG   LEU  41           HG       LEU  41  29.707 -10.721   2.852
  320   1HD1  LEU  41          1HD1      LEU  41  30.061  -8.218   2.738
  321   2HD1  LEU  41          2HD1      LEU  41  31.801  -8.559   2.574
  322   3HD1  LEU  41          3HD1      LEU  41  30.657  -9.159   1.350
  323   1HD2  LEU  41          1HD2      LEU  41  32.214 -11.503   3.926
  324   2HD2  LEU  41          2HD2      LEU  41  31.382 -12.123   2.480
  325   3HD2  LEU  41          3HD2      LEU  41  32.520 -10.762   2.337
  326    H    ALA  42           H        ALA  42  27.880 -12.237   6.915
  327    HA   ALA  42           HA       ALA  42  29.784 -14.157   7.581
  328   1HB   ALA  42          1HB       ALA  42  30.426 -11.818   8.843
  329   2HB   ALA  42          2HB       ALA  42  29.344 -12.561  10.046
  330   3HB   ALA  42          3HB       ALA  42  30.792 -13.435   9.491
  331    H    THR  43           H        THR  43  28.075 -15.588   7.240
  332    HA   THR  43           HA       THR  43  25.720 -15.215   8.957
  333    HB   THR  43           HB       THR  43  25.292 -15.359   6.520
  334    HG1  THR  43           HG1      THR  43  24.060 -17.506   6.758
  335   1HG2  THR  43          1HG2      THR  43  26.723 -18.057   6.774
  336   2HG2  THR  43          2HG2      THR  43  25.750 -17.560   5.369
  337   3HG2  THR  43          3HG2      THR  43  27.247 -16.684   5.770
  338    H    GLN  44           H        GLN  44  28.423 -17.406   8.165
  339    HA   GLN  44           HA       GLN  44  28.323 -18.533  10.696
  340   1HB   GLN  44          1HB       GLN  44  26.311 -19.629   9.232
  341   2HB   GLN  44          2HB       GLN  44  27.615 -20.692   8.742
  342   1HG   GLN  44          1HG       GLN  44  27.715 -21.712  10.787
  343   2HG   GLN  44          2HG       GLN  44  27.613 -20.192  11.653
  344   1HE2  GLN  44          2HE2      GLN  44  25.985 -20.198  12.989
  345   2HE2  GLN  44          1HE2      GLN  44  24.384 -20.793  12.699
  346    H    GLY  45           H        GLY  45  30.534 -17.685  10.170
  347   1HA   GLY  45          1HA       GLY  45  32.349 -18.086   8.430
  348   2HA   GLY  45          2HA       GLY  45  32.114 -19.779   8.819
  349    HA   PRO  46           HA       PRO  46  35.169 -18.803  11.842
  350   1HB   PRO  46          1HB       PRO  46  37.253 -17.343  10.847
  351   2HB   PRO  46          2HB       PRO  46  37.066 -19.062  10.564
  352   1HG   PRO  46          1HG       PRO  46  36.579 -16.814   8.707
  353   2HG   PRO  46          2HG       PRO  46  36.811 -18.512   8.339
  354   1HD   PRO  46          1HD       PRO  46  34.323 -17.084   8.358
  355   2HD   PRO  46          2HD       PRO  46  34.543 -18.804   8.104
  356    H    THR  47           H        THR  47  35.889 -17.549  13.621
  357    HA   THR  47           HA       THR  47  34.282 -15.189  13.870
  358    HB   THR  47           HB       THR  47  35.451 -15.197  16.163
  359    HG1  THR  47           HG1      THR  47  37.325 -16.387  15.034
  360   1HG2  THR  47          1HG2      THR  47  33.364 -16.737  15.402
  361   2HG2  THR  47          2HG2      THR  47  34.563 -18.032  15.629
  362   3HG2  THR  47          3HG2      THR  47  34.145 -16.959  16.986
  363    H    CYS  48           H        CYS  48  37.547 -15.922  12.828
  364    HA   CYS  48           HA       CYS  48  39.152 -14.635  12.066
  365   1HB   CYS  48          1HB       CYS  48  36.897 -12.645  11.961
  366   2HB   CYS  48          2HB       CYS  48  38.535 -12.121  11.623
  367    HG   CYS  48           HG       CYS  48  38.808 -14.505  10.062
  368    H    SER  49           H        SER  49  40.933 -13.726  13.124
  369    HA   SER  49           HA       SER  49  40.494 -13.040  15.863
  370   1HB   SER  49          1HB       SER  49  42.492 -14.379  14.620
  371   2HB   SER  49          2HB       SER  49  43.200 -12.776  14.587
  372    HG   SER  49           HG       SER  49  42.109 -13.901  17.012

  No H/Q in entry =         372
  Start of MODEL   18
    1    H    MET   1           H        MET   1 -26.035  47.756  -2.165
    2    HA   MET   1           HA       MET   1 -24.930  48.543  -0.211
    3   1HB   MET   1          1HB       MET   1 -26.930  49.443   0.972
    4   2HB   MET   1          2HB       MET   1 -27.209  49.450  -0.758
    5   1HG   MET   1          1HG       MET   1 -28.088  46.893   0.061
    6   2HG   MET   1          2HG       MET   1 -28.624  47.957   1.347
    7   1HE   MET   1          1HE       MET   1 -30.828  47.807   1.197
    8   2HE   MET   1          2HE       MET   1 -30.952  49.565   0.952
    9   3HE   MET   1          3HE       MET   1 -31.919  48.457  -0.050
   10    H    VAL   2           H        VAL   2 -26.071  45.352  -0.099
   11    HA   VAL   2           HA       VAL   2 -25.234  45.147   2.702
   12    HB   VAL   2           HB       VAL   2 -27.656  43.902   1.395
   13   1HG1  VAL   2          1HG1      VAL   2 -26.237  42.336   2.866
   14   2HG1  VAL   2          2HG1      VAL   2 -26.755  43.359   4.228
   15   3HG1  VAL   2          3HG1      VAL   2 -27.968  42.494   3.253
   16   1HG2  VAL   2          1HG2      VAL   2 -27.566  46.310   2.515
   17   2HG2  VAL   2          2HG2      VAL   2 -28.958  45.225   2.745
   18   3HG2  VAL   2          3HG2      VAL   2 -27.714  45.357   4.011
   19    H    ALA   3           H        ALA   3 -23.245  44.217   2.441
   20    HA   ALA   3           HA       ALA   3 -21.654  42.874   1.636
   21   1HB   ALA   3          1HB       ALA   3 -22.619  40.369   1.601
   22   2HB   ALA   3          2HB       ALA   3 -23.983  41.163   2.424
   23   3HB   ALA   3          3HB       ALA   3 -22.347  41.256   3.120
   24    H    ALA   4           H        ALA   4 -21.492  43.875  -0.476
   25    HA   ALA   4           HA       ALA   4 -22.004  41.994  -2.568
   26   1HB   ALA   4          1HB       ALA   4 -23.822  44.270  -2.092
   27   2HB   ALA   4          2HB       ALA   4 -24.051  42.813  -3.089
   28   3HB   ALA   4          3HB       ALA   4 -23.162  44.209  -3.744
   29    H    ALA   5           H        ALA   5 -19.676  42.081  -2.615
   30    HA   ALA   5           HA       ALA   5 -18.690  44.041  -4.385
   31   1HB   ALA   5          1HB       ALA   5 -18.776  44.938  -1.761
   32   2HB   ALA   5          2HB       ALA   5 -17.698  45.559  -3.034
   33   3HB   ALA   5          3HB       ALA   5 -17.118  44.306  -1.909
   34    H    MET   6           H        MET   6 -17.510  42.033  -1.584
   35    HA   MET   6           HA       MET   6 -16.570  40.010  -3.236
   36   1HB   MET   6          1HB       MET   6 -14.913  42.256  -3.346
   37   2HB   MET   6          2HB       MET   6 -14.162  41.336  -2.057
   38   1HG   MET   6          1HG       MET   6 -13.490  39.629  -3.470
   39   2HG   MET   6          2HG       MET   6 -14.924  39.742  -4.471
   40   1HE   MET   6          1HE       MET   6 -11.468  40.514  -3.787
   41   2HE   MET   6          2HE       MET   6 -11.445  39.764  -5.401
   42   3HE   MET   6          3HE       MET   6 -10.871  41.436  -5.188
   43    H    LEU   7           H        LEU   7 -17.715  38.882  -1.525
   44    HA   LEU   7           HA       LEU   7 -16.930  39.172   1.177
   45   1HB   LEU   7          1HB       LEU   7 -18.931  37.820  -0.342
   46   2HB   LEU   7          2HB       LEU   7 -18.151  36.646   0.699
   47    HG   LEU   7           HG       LEU   7 -20.110  37.578   1.779
   48   1HD1  LEU   7          1HD1      LEU   7 -17.416  37.803   2.888
   49   2HD1  LEU   7          2HD1      LEU   7 -18.595  38.860   3.701
   50   3HD1  LEU   7          3HD1      LEU   7 -18.897  37.109   3.590
   51   1HD2  LEU   7          1HD2      LEU   7 -19.304  39.994   0.584
   52   2HD2  LEU   7          2HD2      LEU   7 -20.728  39.702   1.613
   53   3HD2  LEU   7          3HD2      LEU   7 -19.201  40.255   2.342
   54    H    LEU   8           H        LEU   8 -16.492  36.388  -1.126
   55    HA   LEU   8           HA       LEU   8 -15.032  34.707  -1.049
   56   1HB   LEU   8          1HB       LEU   8 -13.765  37.150  -1.597
   57   2HB   LEU   8          2HB       LEU   8 -12.671  36.290  -0.531
   58    HG   LEU   8           HG       LEU   8 -12.735  34.338  -2.068
   59   1HD1  LEU   8          1HD1      LEU   8 -15.045  35.252  -3.027
   60   2HD1  LEU   8          2HD1      LEU   8 -13.958  35.982  -4.232
   61   3HD1  LEU   8          3HD1      LEU   8 -13.956  34.219  -3.983
   62   1HD2  LEU   8          1HD2      LEU   8 -11.487  36.891  -2.496
   63   2HD2  LEU   8          2HD2      LEU   8 -10.864  35.256  -2.821
   64   3HD2  LEU   8          3HD2      LEU   8 -11.812  36.110  -4.062
   65    H    ARG   9           H        ARG   9 -15.726  33.589   0.822
   66    HA   ARG   9           HA       ARG   9 -13.798  33.791   2.946
   67   1HB   ARG   9          1HB       ARG   9 -16.722  34.420   3.207
   68   2HB   ARG   9          2HB       ARG   9 -16.044  33.421   4.476
   69   1HG   ARG   9          1HG       ARG   9 -14.355  35.760   3.745
   70   2HG   ARG   9          2HG       ARG   9 -15.922  36.190   4.402
   71   1HD   ARG   9          1HD       ARG   9 -14.757  35.967   6.397
   72   2HD   ARG   9          2HD       ARG   9 -15.293  34.308   6.222
   73    HE   ARG   9           HE       ARG   9 -13.076  33.661   5.860
   74   1HH1  ARG   9          1HH1      ARG   9 -10.828  33.972   5.597
   75   2HH1  ARG   9          2HH1      ARG   9 -10.205  35.555   5.270
   76   1HH2  ARG   9          1HH2      ARG   9 -13.360  37.123   5.298
   77   2HH2  ARG   9          2HH2      ARG   9 -11.655  37.359   5.099
   78    H    SER  10           H        SER  10 -14.248  31.875   0.788
   79    HA   SER  10           HA       SER  10 -14.902  29.579   2.443
   80   1HB   SER  10          1HB       SER  10 -16.577  30.488   0.404
   81   2HB   SER  10          2HB       SER  10 -15.635  29.249  -0.402
   82    HG   SER  10           HG       SER  10 -17.506  28.311   0.563
   83    H    CYS  11           H        CYS  11 -12.334  30.816   1.750
   84    HA   CYS  11           HA       CYS  11 -11.255  29.200  -0.371
   85   1HB   CYS  11          1HB       CYS  11 -10.059  31.306   1.447
   86   2HB   CYS  11          2HB       CYS  11  -9.090  30.370   0.328
   87    HG   CYS  11           HG       CYS  11 -10.342  30.995  -1.835
   88    HA   PRO  12           HA       PRO  12  -9.840  26.077   2.319
   89   1HB   PRO  12          1HB       PRO  12  -7.758  25.026   0.895
   90   2HB   PRO  12          2HB       PRO  12  -9.435  24.638   0.567
   91   1HG   PRO  12          1HG       PRO  12  -7.609  26.398  -0.952
   92   2HG   PRO  12          2HG       PRO  12  -9.116  25.668  -1.471
   93   1HD   PRO  12          1HD       PRO  12  -8.708  28.401  -0.703
   94   2HD   PRO  12          2HD       PRO  12 -10.235  27.644  -1.110
   95    H    VAL  13           H        VAL  13  -7.888  25.111   3.499
   96    HA   VAL  13           HA       VAL  13  -5.843  27.142   3.850
   97    HB   VAL  13           HB       VAL  13  -7.487  27.862   5.423
   98   1HG1  VAL  13          1HG1      VAL  13  -8.478  25.372   5.452
   99   2HG1  VAL  13          2HG1      VAL  13  -7.537  25.307   6.962
  100   3HG1  VAL  13          3HG1      VAL  13  -8.797  26.547   6.751
  101   1HG2  VAL  13          1HG2      VAL  13  -4.950  27.454   6.082
  102   2HG2  VAL  13          2HG2      VAL  13  -6.138  28.028   7.277
  103   3HG2  VAL  13          3HG2      VAL  13  -5.676  26.309   7.235
  104    H    LEU  14           H        LEU  14  -7.217  23.971   4.952
  105    HA   LEU  14           HA       LEU  14  -4.599  22.804   4.473
  106   1HB   LEU  14          1HB       LEU  14  -4.764  23.571   6.880
  107   2HB   LEU  14          2HB       LEU  14  -6.032  22.381   7.093
  108    HG   LEU  14           HG       LEU  14  -3.706  21.150   5.883
  109   1HD1  LEU  14          1HD1      LEU  14  -2.846  23.223   7.378
  110   2HD1  LEU  14          2HD1      LEU  14  -2.995  21.976   8.639
  111   3HD1  LEU  14          3HD1      LEU  14  -1.965  21.684   7.217
  112   1HD2  LEU  14          1HD2      LEU  14  -5.693  20.169   7.209
  113   2HD2  LEU  14          2HD2      LEU  14  -4.069  19.487   7.469
  114   3HD2  LEU  14          3HD2      LEU  14  -4.758  20.624   8.654
  115    H    SER  15           H        SER  15  -7.711  21.821   6.070
  116    HA   SER  15           HA       SER  15  -8.972  20.070   5.728
  117   1HB   SER  15          1HB       SER  15  -9.561  21.721   3.826
  118   2HB   SER  15          2HB       SER  15  -8.675  20.651   2.757
  119    HG   SER  15           HG       SER  15 -10.299  19.045   4.137
  120    H    GLN  16           H        GLN  16  -7.398  18.464   6.455
  121    HA   GLN  16           HA       GLN  16  -6.333  16.579   6.279
  122   1HB   GLN  16          1HB       GLN  16  -8.173  16.432   4.196
  123   2HB   GLN  16          2HB       GLN  16  -6.664  16.068   3.383
  124   1HG   GLN  16          1HG       GLN  16  -6.166  14.298   5.065
  125   2HG   GLN  16          2HG       GLN  16  -7.646  14.678   5.921
  126   1HE2  GLN  16          2HE2      GLN  16  -7.518  12.201   5.290
  127   2HE2  GLN  16          1HE2      GLN  16  -8.464  11.756   3.909
  128    H    GLY  17           H        GLY  17  -4.298  17.631   6.662
  129   1HA   GLY  17          1HA       GLY  17  -2.368  18.745   5.979
  130   2HA   GLY  17          2HA       GLY  17  -2.733  18.387   4.303
  131    HA   PRO  18           HA       PRO  18   0.071  15.166   6.221
  132   1HB   PRO  18          1HB       PRO  18  -0.272  14.274   8.781
  133   2HB   PRO  18          2HB       PRO  18   0.760  15.629   8.369
  134   1HG   PRO  18          1HG       PRO  18  -1.916  15.652   9.626
  135   2HG   PRO  18          2HG       PRO  18  -0.707  16.921   9.593
  136   1HD   PRO  18          1HD       PRO  18  -3.093  16.782   8.007
  137   2HD   PRO  18          2HD       PRO  18  -1.827  17.989   7.893
  138    H    THR  19           H        THR  19  -0.202  13.433   4.976
  139    HA   THR  19           HA       THR  19  -2.690  12.053   5.087
  140    HB   THR  19           HB       THR  19  -1.495  10.591   3.397
  141    HG1  THR  19           HG1      THR  19   0.752  11.459   2.966
  142   1HG2  THR  19          1HG2      THR  19  -1.328  13.622   3.178
  143   2HG2  THR  19          2HG2      THR  19  -0.664  12.590   1.889
  144   3HG2  THR  19          3HG2      THR  19  -2.395  12.504   2.294
  145    H    GLY  20           H        GLY  20   0.693  11.074   5.969
  146   1HA   GLY  20          1HA       GLY  20  -0.234   8.672   7.228
  147   2HA   GLY  20          2HA       GLY  20   0.128   9.933   8.389
  148    H    LEU  21           H        LEU  21   2.306  10.737   8.621
  149    HA   LEU  21           HA       LEU  21   4.326   9.325   7.059
  150   1HB   LEU  21          1HB       LEU  21   4.513  11.727   8.882
  151   2HB   LEU  21          2HB       LEU  21   5.862  11.007   8.026
  152    HG   LEU  21           HG       LEU  21   4.318  11.445   5.906
  153   1HD1  LEU  21          1HD1      LEU  21   3.187  13.226   8.039
  154   2HD1  LEU  21          2HD1      LEU  21   3.266  13.798   6.355
  155   3HD1  LEU  21          3HD1      LEU  21   2.360  12.317   6.751
  156   1HD2  LEU  21          1HD2      LEU  21   6.337  13.064   7.326
  157   2HD2  LEU  21          2HD2      LEU  21   6.291  12.489   5.642
  158   3HD2  LEU  21          3HD2      LEU  21   5.373  13.940   6.113
  159    H    LEU  22           H        LEU  22   3.162   7.473   8.554
  160    HA   LEU  22           HA       LEU  22   5.217   6.831  10.444
  161   1HB   LEU  22          1HB       LEU  22   3.643   8.299  11.724
  162   2HB   LEU  22          2HB       LEU  22   2.388   7.106  11.460
  163    HG   LEU  22           HG       LEU  22   4.980   6.305  12.761
  164   1HD1  LEU  22          1HD1      LEU  22   4.109   8.329  13.935
  165   2HD1  LEU  22          2HD1      LEU  22   2.609   7.432  14.269
  166   3HD1  LEU  22          3HD1      LEU  22   4.155   6.861  14.941
  167   1HD2  LEU  22          1HD2      LEU  22   2.215   5.194  12.524
  168   2HD2  LEU  22          2HD2      LEU  22   3.794   4.388  12.369
  169   3HD2  LEU  22          3HD2      LEU  22   3.169   4.820  13.979
  170    H    GLY  23           H        GLY  23   5.709   4.969   9.339
  171   1HA   GLY  23          1HA       GLY  23   3.466   3.135   8.762
  172   2HA   GLY  23          2HA       GLY  23   4.883   2.594   9.640
  173    H    LYS  24           H        LYS  24   4.185   4.558   6.650
  174    HA   LYS  24           HA       LYS  24   5.528   2.671   5.007
  175   1HB   LYS  24          1HB       LYS  24   3.725   4.818   4.670
  176   2HB   LYS  24          2HB       LYS  24   5.163   5.260   3.771
  177   1HG   LYS  24          1HG       LYS  24   4.939   2.607   3.070
  178   2HG   LYS  24          2HG       LYS  24   3.251   3.012   3.308
  179   1HD   LYS  24          1HD       LYS  24   3.412   3.705   1.116
  180   2HD   LYS  24          2HD       LYS  24   3.976   5.188   1.861
  181   1HE   LYS  24          1HE       LYS  24   6.330   4.486   1.581
  182   2HE   LYS  24          2HE       LYS  24   5.824   2.927   0.961
  183    H    VAL  25           H        VAL  25   6.475   5.449   6.931
  184    HA   VAL  25           HA       VAL  25   8.941   5.796   5.459
  185    HB   VAL  25           HB       VAL  25   7.740   7.098   7.905
  186   1HG1  VAL  25          1HG1      VAL  25  10.378   7.703   6.527
  187   2HG1  VAL  25          2HG1      VAL  25   9.604   8.730   7.757
  188   3HG1  VAL  25          3HG1      VAL  25  10.154   7.092   8.184
  189   1HG2  VAL  25          1HG2      VAL  25   7.952   7.808   4.993
  190   2HG2  VAL  25          2HG2      VAL  25   6.567   7.950   6.103
  191   3HG2  VAL  25          3HG2      VAL  25   7.918   9.104   6.213
  192    H    ALA  26           H        ALA  26   7.656   3.844   8.020
  193    HA   ALA  26           HA       ALA  26  10.319   3.402   9.137
  194   1HB   ALA  26          1HB       ALA  26   9.205   3.115  11.067
  195   2HB   ALA  26          2HB       ALA  26   8.189   1.848  10.341
  196   3HB   ALA  26          3HB       ALA  26   7.705   3.556  10.216
  197    H    LYS  27           H        LYS  27   7.645   1.850   7.319
  198    HA   LYS  27           HA       LYS  27   8.824  -0.731   7.385
  199   1HB   LYS  27          1HB       LYS  27   6.443  -0.501   7.127
  200   2HB   LYS  27          2HB       LYS  27   6.629   0.502   5.703
  201   1HG   LYS  27          1HG       LYS  27   7.402  -1.315   4.365
  202   2HG   LYS  27          2HG       LYS  27   7.821  -2.289   5.760
  203   1HD   LYS  27          1HD       LYS  27   5.157  -1.997   6.240
  204   2HD   LYS  27          2HD       LYS  27   5.136  -1.835   4.495
  205   1HE   LYS  27          1HE       LYS  27   6.867  -4.029   5.000
  206   2HE   LYS  27          2HE       LYS  27   5.537  -4.240   6.121
  207    H    THR  28           H        THR  28   9.072   2.153   5.310
  208    HA   THR  28           HA       THR  28  10.314   0.864   3.127
  209    HB   THR  28           HB       THR  28  10.089   3.715   4.176
  210    HG1  THR  28           HG1      THR  28   8.800   3.713   2.153
  211   1HG2  THR  28          1HG2      THR  28  11.567   2.679   1.706
  212   2HG2  THR  28          2HG2      THR  28  10.941   4.341   1.831
  213   3HG2  THR  28          3HG2      THR  28  12.198   3.777   2.958
  214    H    TYR  29           H        TYR  29  11.416   1.621   6.333
  215    HA   TYR  29           HA       TYR  29  14.203   1.562   5.481
  216   1HB   TYR  29          1HB       TYR  29  13.541   3.228   7.166
  217   2HB   TYR  29          2HB       TYR  29  12.589   2.049   8.046
  218    HD1  TYR  29           HD1      TYR  29  13.470   1.305  10.053
  219    HD2  TYR  29           HD2      TYR  29  16.157   2.471   6.934
  220    HE1  TYR  29           HE1      TYR  29  15.451   0.856  11.582
  221    HE2  TYR  29           HE2      TYR  29  18.129   2.018   8.474
  222    HH   TYR  29           HH       TYR  29  17.610   1.132  11.854
  223    H    GLN  30           H        GLN  30  11.723  -0.371   7.188
  224    HA   GLN  30           HA       GLN  30  13.396  -2.175   8.395
  225   1HB   GLN  30          1HB       GLN  30  11.467  -3.522   8.700
  226   2HB   GLN  30          2HB       GLN  30  10.842  -1.887   8.612
  227   1HG   GLN  30          1HG       GLN  30   9.492  -2.558   6.919
  228   2HG   GLN  30          2HG       GLN  30  10.919  -2.751   5.920
  229   1HE2  GLN  30          2HE2      GLN  30  10.450  -4.532   4.812
  230   2HE2  GLN  30          1HE2      GLN  30  10.142  -6.099   5.484
  231    H    PHE  31           H        PHE  31  12.792  -1.624   5.025
  232    HA   PHE  31           HA       PHE  31  13.801  -4.292   4.362
  233   1HB   PHE  31          1HB       PHE  31  11.597  -3.083   3.434
  234   2HB   PHE  31          2HB       PHE  31  12.720  -2.147   2.467
  235    HD1  PHE  31           HD1      PHE  31  11.563  -5.597   3.156
  236    HD2  PHE  31           HD2      PHE  31  13.648  -3.037   0.489
  237    HE1  PHE  31           HE1      PHE  31  11.600  -7.422   1.433
  238    HE2  PHE  31           HE2      PHE  31  13.684  -4.862  -1.234
  239    HZ   PHE  31           HZ       PHE  31  12.660  -7.032  -0.741
  240    H    LEU  32           H        LEU  32  14.340  -0.762   3.980
  241    HA   LEU  32           HA       LEU  32  16.438  -0.959   2.141
  242   1HB   LEU  32          1HB       LEU  32  15.042   1.049   3.575
  243   2HB   LEU  32          2HB       LEU  32  16.750   1.296   3.877
  244    HG   LEU  32           HG       LEU  32  16.021   2.622   1.986
  245   1HD1  LEU  32          1HD1      LEU  32  17.948   0.377   1.491
  246   2HD1  LEU  32          2HD1      LEU  32  17.561   1.520   0.182
  247   3HD1  LEU  32          3HD1      LEU  32  18.252   2.117   1.711
  248   1HD2  LEU  32          1HD2      LEU  32  14.373   0.463   1.384
  249   2HD2  LEU  32          2HD2      LEU  32  14.597   1.942   0.419
  250   3HD2  LEU  32          3HD2      LEU  32  15.564   0.491   0.061
  251    H    PHE  33           H        PHE  33  16.192  -1.862   5.472
  252    HA   PHE  33           HA       PHE  33  19.041  -1.566   5.921
  253   1HB   PHE  33          1HB       PHE  33  16.659  -1.534   7.455
  254   2HB   PHE  33          2HB       PHE  33  17.338  -3.105   7.829
  255    HD1  PHE  33           HD1      PHE  33  18.674   0.366   7.405
  256    HD2  PHE  33           HD2      PHE  33  18.561  -3.156   9.770
  257    HE1  PHE  33           HE1      PHE  33  20.224   1.432   9.066
  258    HE2  PHE  33           HE2      PHE  33  20.111  -2.090  11.431
  259    HZ   PHE  33           HZ       PHE  33  20.924   0.191  11.059
  260    H    SER  34           H        SER  34  17.314  -3.646   4.098
  261    HA   SER  34           HA       SER  34  19.117  -5.812   4.776
  262   1HB   SER  34          1HB       SER  34  16.144  -5.873   4.866
  263   2HB   SER  34          2HB       SER  34  16.865  -7.199   3.975
  264    HG   SER  34           HG       SER  34  17.419  -6.436   6.713
  265    H    ILE  35           H        ILE  35  19.983  -4.357   2.823
  266    HA   ILE  35           HA       ILE  35  19.104  -5.730   0.396
  267    HB   ILE  35           HB       ILE  35  19.472  -2.751   0.713
  268   1HG1  ILE  35          1HG1      ILE  35  17.059  -4.406  -0.083
  269   2HG1  ILE  35          2HG1      ILE  35  17.291  -3.609   1.460
  270   1HG2  ILE  35          1HG2      ILE  35  20.463  -3.862  -1.398
  271   2HG2  ILE  35          2HG2      ILE  35  18.767  -4.126  -1.870
  272   3HG2  ILE  35          3HG2      ILE  35  19.367  -2.473  -1.594
  273   1HD1  ILE  35          1HD1      ILE  35  17.725  -1.480  -0.172
  274   2HD1  ILE  35          2HD1      ILE  35  16.634  -2.428  -1.211
  275   3HD1  ILE  35          3HD1      ILE  35  16.106  -1.930   0.414
  276    H    GLY  36           H        GLY  36  21.393  -3.016   0.511
  277   1HA   GLY  36          1HA       GLY  36  23.495  -4.747  -0.446
  278   2HA   GLY  36          2HA       GLY  36  23.759  -4.141   1.177
  279    H    ARG  37           H        ARG  37  25.543  -3.417  -0.828
  280    HA   ARG  37           HA       ARG  37  25.062  -1.321  -2.382
  281   1HB   ARG  37          1HB       ARG  37  24.783  -0.495   0.399
  282   2HB   ARG  37          2HB       ARG  37  26.153   0.338  -0.309
  283   1HG   ARG  37          1HG       ARG  37  24.844   1.542  -1.784
  284   2HG   ARG  37          2HG       ARG  37  23.723   0.220  -2.042
  285   1HD   ARG  37          1HD       ARG  37  22.435   0.750  -0.139
  286   2HD   ARG  37          2HD       ARG  37  23.766   1.551   0.673
  287    HE   ARG  37           HE       ARG  37  23.150   2.992  -1.731
  288   1HH1  ARG  37          1HH1      ARG  37  21.981   4.953  -1.634
  289   2HH1  ARG  37          2HH1      ARG  37  21.026   5.324  -0.237
  290   1HH2  ARG  37          1HH2      ARG  37  21.821   2.343   1.462
  291   2HH2  ARG  37          2HH2      ARG  37  20.935   3.829   1.536
  292    H    CYS  38           H        CYS  38  27.102  -2.836   0.091
  293    HA   CYS  38           HA       CYS  38  29.236  -3.326  -1.429
  294   1HB   CYS  38          1HB       CYS  38  29.178  -0.466  -0.892
  295   2HB   CYS  38          2HB       CYS  38  30.631  -1.198  -0.241
  296    HG   CYS  38           HG       CYS  38  31.143  -2.618  -2.468
  297    HA   PRO  39           HA       PRO  39  30.287  -3.218   3.206
  298   1HB   PRO  39          1HB       PRO  39  28.682  -1.857   4.950
  299   2HB   PRO  39          2HB       PRO  39  30.139  -1.174   4.256
  300   1HG   PRO  39          1HG       PRO  39  27.319  -0.605   3.577
  301   2HG   PRO  39          2HG       PRO  39  28.747   0.344   3.217
  302   1HD   PRO  39          1HD       PRO  39  27.294  -1.327   1.395
  303   2HD   PRO  39          2HD       PRO  39  28.787  -0.471   1.068
  304    H    ILE  40           H        ILE  40  29.955  -5.381   3.276
  305    HA   ILE  40           HA       ILE  40  27.223  -6.239   3.663
  306    HB   ILE  40           HB       ILE  40  29.838  -7.681   3.251
  307   1HG1  ILE  40          1HG1      ILE  40  27.608  -8.100   1.385
  308   2HG1  ILE  40          2HG1      ILE  40  28.154  -6.436   1.448
  309   1HG2  ILE  40          1HG2      ILE  40  27.091  -8.815   3.816
  310   2HG2  ILE  40          2HG2      ILE  40  28.402  -9.743   3.049
  311   3HG2  ILE  40          3HG2      ILE  40  28.609  -9.108   4.699
  312   1HD1  ILE  40          1HD1      ILE  40  30.285  -8.551   1.348
  313   2HD1  ILE  40          2HD1      ILE  40  29.337  -8.272  -0.133
  314   3HD1  ILE  40          3HD1      ILE  40  30.253  -6.935   0.602
  315    H    LEU  41           H        LEU  41  30.092  -7.657   5.282
  316    HA   LEU  41           HA       LEU  41  28.724  -8.067   7.665
  317   1HB   LEU  41          1HB       LEU  41  30.849  -9.151   6.712
  318   2HB   LEU  41          2HB       LEU  41  31.712  -7.805   7.429
  319    HG   LEU  41           HG       LEU  41  30.439  -8.521   9.621
  320   1HD1  LEU  41          1HD1      LEU  41  29.440 -10.451   7.885
  321   2HD1  LEU  41          2HD1      LEU  41  30.682 -11.309   8.829
  322   3HD1  LEU  41          3HD1      LEU  41  29.356 -10.464   9.663
  323   1HD2  LEU  41          1HD2      LEU  41  32.817 -10.000   8.466
  324   2HD2  LEU  41          2HD2      LEU  41  32.838  -8.506   9.434
  325   3HD2  LEU  41          3HD2      LEU  41  32.325 -10.041  10.176
  326    H    ALA  42           H        ALA  42  31.293  -5.602   6.912
  327    HA   ALA  42           HA       ALA  42  29.882  -3.556   8.241
  328   1HB   ALA  42          1HB       ALA  42  31.744  -3.341  10.068
  329   2HB   ALA  42          2HB       ALA  42  30.408  -4.488  10.326
  330   3HB   ALA  42          3HB       ALA  42  31.994  -5.078   9.775
  331    H    THR  43           H        THR  43  33.324  -4.668   7.816
  332    HA   THR  43           HA       THR  43  33.711  -2.756   5.708
  333    HB   THR  43           HB       THR  43  34.842  -2.341   8.513
  334    HG1  THR  43           HG1      THR  43  33.710  -0.615   6.429
  335   1HG2  THR  43          1HG2      THR  43  36.179  -1.876   5.950
  336   2HG2  THR  43          2HG2      THR  43  35.786  -0.328   6.734
  337   3HG2  THR  43          3HG2      THR  43  36.773  -1.535   7.592
  338    H    GLN  44           H        GLN  44  35.587  -4.618   8.200
  339    HA   GLN  44           HA       GLN  44  36.364  -6.554   6.395
  340   1HB   GLN  44          1HB       GLN  44  37.641  -4.696   5.323
  341   2HB   GLN  44          2HB       GLN  44  38.485  -4.404   6.831
  342   1HG   GLN  44          1HG       GLN  44  39.503  -6.636   6.769
  343   2HG   GLN  44          2HG       GLN  44  38.531  -7.092   5.384
  344   1HE2  GLN  44          2HE2      GLN  44  41.288  -7.259   5.414
  345   2HE2  GLN  44          1HE2      GLN  44  41.973  -6.137   4.286
  346    H    GLY  45           H        GLY  45  35.452  -7.218   8.660
  347   1HA   GLY  45          1HA       GLY  45  37.754  -7.592  10.480
  348   2HA   GLY  45          2HA       GLY  45  36.493  -8.776  10.200
  349    HA   PRO  46           HA       PRO  46  34.663  -6.901  13.709
  350   1HB   PRO  46          1HB       PRO  46  36.366  -6.955  15.846
  351   2HB   PRO  46          2HB       PRO  46  35.484  -8.362  15.287
  352   1HG   PRO  46          1HG       PRO  46  38.348  -7.715  14.947
  353   2HG   PRO  46          2HG       PRO  46  37.547  -9.264  14.784
  354   1HD   PRO  46          1HD       PRO  46  38.440  -7.562  12.655
  355   2HD   PRO  46          2HD       PRO  46  37.535  -9.055  12.494
  356    H    THR  47           H        THR  47  37.931  -5.569  13.985
  357    HA   THR  47           HA       THR  47  36.821  -2.923  13.615
  358    HB   THR  47           HB       THR  47  38.175  -3.792  16.224
  359    HG1  THR  47           HG1      THR  47  35.532  -2.879  15.336
  360   1HG2  THR  47          1HG2      THR  47  38.270  -1.257  15.046
  361   2HG2  THR  47          2HG2      THR  47  36.799  -1.169  16.045
  362   3HG2  THR  47          3HG2      THR  47  38.362  -1.572  16.796
  363    H    CYS  48           H        CYS  48  38.043  -2.350  11.910
  364    HA   CYS  48           HA       CYS  48  39.819  -1.810  10.742
  365   1HB   CYS  48          1HB       CYS  48  40.428  -0.809  13.127
  366   2HB   CYS  48          2HB       CYS  48  41.698  -2.016  13.070
  367    HG   CYS  48           HG       CYS  48  41.329   0.768  11.596
  368    H    SER  49           H        SER  49  41.612  -2.841   9.592
  369    HA   SER  49           HA       SER  49  42.755  -4.517   8.821
  370   1HB   SER  49          1HB       SER  49  43.506  -4.470  11.413
  371   2HB   SER  49          2HB       SER  49  42.767  -6.058  11.403
  372    HG   SER  49           HG       SER  49  44.870  -5.146   9.629

  No H/Q in entry =         372
  Start of MODEL   19
    1    H    MET   1           H        MET   1 -34.795  -9.661  -2.637
    2    HA   MET   1           HA       MET   1 -32.373 -10.197  -1.163
    3   1HB   MET   1          1HB       MET   1 -33.536 -10.914  -3.866
    4   2HB   MET   1          2HB       MET   1 -31.790 -10.947  -3.713
    5   1HG   MET   1          1HG       MET   1 -31.806 -12.749  -2.234
    6   2HG   MET   1          2HG       MET   1 -33.342 -12.296  -1.522
    7   1HE   MET   1          1HE       MET   1 -33.608 -14.810  -1.513
    8   2HE   MET   1          2HE       MET   1 -34.202 -15.771  -2.888
    9   3HE   MET   1          3HE       MET   1 -32.461 -15.447  -2.716
   10    H    VAL   2           H        VAL   2 -31.840  -7.905  -0.749
   11    HA   VAL   2           HA       VAL   2 -30.964  -6.496  -3.169
   12    HB   VAL   2           HB       VAL   2 -32.659  -5.403  -1.736
   13   1HG1  VAL   2          1HG1      VAL   2 -31.889  -6.339   0.432
   14   2HG1  VAL   2          2HG1      VAL   2 -30.457  -5.284   0.352
   15   3HG1  VAL   2          3HG1      VAL   2 -32.084  -4.570   0.471
   16   1HG2  VAL   2          1HG2      VAL   2 -30.445  -4.301  -2.940
   17   2HG2  VAL   2          2HG2      VAL   2 -31.826  -3.388  -2.286
   18   3HG2  VAL   2          3HG2      VAL   2 -30.362  -3.616  -1.299
   19    H    ALA   3           H        ALA   3 -29.409  -8.680  -2.356
   20    HA   ALA   3           HA       ALA   3 -26.904  -7.575  -2.183
   21   1HB   ALA   3          1HB       ALA   3 -26.980  -6.824  -0.015
   22   2HB   ALA   3          2HB       ALA   3 -28.230  -7.997   0.464
   23   3HB   ALA   3          3HB       ALA   3 -26.534  -8.515   0.314
   24    H    ALA   4           H        ALA   4 -26.762  -9.214  -3.825
   25    HA   ALA   4           HA       ALA   4 -27.354 -11.914  -3.275
   26   1HB   ALA   4          1HB       ALA   4 -27.355 -11.230  -5.542
   27   2HB   ALA   4          2HB       ALA   4 -25.880 -12.214  -5.379
   28   3HB   ALA   4          3HB       ALA   4 -25.768 -10.437  -5.394
   29    H    ALA   5           H        ALA   5 -24.125 -10.315  -3.799
   30    HA   ALA   5           HA       ALA   5 -22.987 -11.303  -1.459
   31   1HB   ALA   5          1HB       ALA   5 -22.573 -13.024  -3.933
   32   2HB   ALA   5          2HB       ALA   5 -23.255 -13.526  -2.368
   33   3HB   ALA   5          3HB       ALA   5 -21.533 -13.092  -2.490
   34    H    MET   6           H        MET   6 -22.203  -9.144  -1.483
   35    HA   MET   6           HA       MET   6 -20.777  -8.197  -3.732
   36   1HB   MET   6          1HB       MET   6 -21.496  -7.266  -0.963
   37   2HB   MET   6          2HB       MET   6 -20.069  -6.521  -1.654
   38   1HG   MET   6          1HG       MET   6 -21.653  -5.072  -2.525
   39   2HG   MET   6          2HG       MET   6 -21.682  -6.269  -3.805
   40   1HE   MET   6          1HE       MET   6 -22.795  -5.894  -0.228
   41   2HE   MET   6          2HE       MET   6 -23.933  -4.671  -0.841
   42   3HE   MET   6          3HE       MET   6 -24.544  -6.223  -0.222
   43    H    LEU   7           H        LEU   7 -19.784  -9.029  -0.327
   44    HA   LEU   7           HA       LEU   7 -17.502 -10.419  -1.148
   45   1HB   LEU   7          1HB       LEU   7 -17.215  -7.553  -1.097
   46   2HB   LEU   7          2HB       LEU   7 -16.203  -8.275   0.139
   47    HG   LEU   7           HG       LEU   7 -16.169  -9.223  -2.732
   48   1HD1  LEU   7          1HD1      LEU   7 -15.035  -6.769  -1.569
   49   2HD1  LEU   7          2HD1      LEU   7 -13.870  -7.773  -2.464
   50   3HD1  LEU   7          3HD1      LEU   7 -15.354  -7.204  -3.265
   51   1HD2  LEU   7          1HD2      LEU   7 -14.455  -9.689  -0.307
   52   2HD2  LEU   7          2HD2      LEU   7 -15.157 -10.863  -1.446
   53   3HD2  LEU   7          3HD2      LEU   7 -13.778  -9.854  -1.945
   54    H    LEU   8           H        LEU   8 -18.193  -8.020   1.497
   55    HA   LEU   8           HA       LEU   8 -19.014  -9.996   3.312
   56   1HB   LEU   8          1HB       LEU   8 -16.508 -10.476   3.003
   57   2HB   LEU   8          2HB       LEU   8 -16.239  -8.994   3.898
   58    HG   LEU   8           HG       LEU   8 -17.921 -10.189   5.616
   59   1HD1  LEU   8          1HD1      LEU   8 -17.816 -12.184   3.833
   60   2HD1  LEU   8          2HD1      LEU   8 -16.404 -12.620   4.825
   61   3HD1  LEU   8          3HD1      LEU   8 -18.006 -12.454   5.582
   62   1HD2  LEU   8          1HD2      LEU   8 -15.211  -9.587   5.516
   63   2HD2  LEU   8          2HD2      LEU   8 -16.141 -10.091   6.948
   64   3HD2  LEU   8          3HD2      LEU   8 -15.257 -11.303   5.989
   65    H    ARG   9           H        ARG   9 -16.913  -7.030   3.476
   66    HA   ARG   9           HA       ARG   9 -19.194  -5.563   4.381
   67   1HB   ARG   9          1HB       ARG   9 -16.975  -6.435   6.196
   68   2HB   ARG   9          2HB       ARG   9 -17.432  -4.749   6.335
   69   1HG   ARG   9          1HG       ARG   9 -19.728  -6.647   6.212
   70   2HG   ARG   9          2HG       ARG   9 -18.710  -6.828   7.627
   71   1HD   ARG   9          1HD       ARG   9 -19.240  -3.991   7.057
   72   2HD   ARG   9          2HD       ARG   9 -20.733  -4.889   7.243
   73    HE   ARG   9           HE       ARG   9 -18.696  -5.433   9.307
   74   1HH1  ARG   9          1HH1      ARG   9 -19.234  -4.886  11.460
   75   2HH1  ARG   9          2HH1      ARG   9 -20.618  -3.895  11.781
   76   1HH2  ARG   9          1HH2      ARG   9 -21.517  -3.538   8.394
   77   2HH2  ARG   9          2HH2      ARG   9 -21.925  -3.123  10.025
   78    H    SER  10           H        SER  10 -15.569  -5.610   4.088
   79    HA   SER  10           HA       SER  10 -14.167  -4.265   3.120
   80   1HB   SER  10          1HB       SER  10 -16.226  -4.290   1.342
   81   2HB   SER  10          2HB       SER  10 -16.213  -2.580   1.721
   82    HG   SER  10           HG       SER  10 -13.951  -2.507   1.133
   83    H    CYS  11           H        CYS  11 -14.951  -3.624   5.721
   84    HA   CYS  11           HA       CYS  11 -14.206  -0.920   5.853
   85   1HB   CYS  11          1HB       CYS  11 -16.915  -1.142   5.391
   86   2HB   CYS  11          2HB       CYS  11 -16.853  -1.066   7.141
   87    HG   CYS  11           HG       CYS  11 -15.015   0.891   5.226
   88    HA   PRO  12           HA       PRO  12 -13.395  -3.589   9.417
   89   1HB   PRO  12          1HB       PRO  12 -10.705  -3.137   9.580
   90   2HB   PRO  12          2HB       PRO  12 -11.399  -4.479   8.692
   91   1HG   PRO  12          1HG       PRO  12 -10.227  -1.974   7.647
   92   2HG   PRO  12          2HG       PRO  12 -10.529  -3.480   6.804
   93   1HD   PRO  12          1HD       PRO  12 -12.082  -1.075   6.630
   94   2HD   PRO  12          2HD       PRO  12 -12.448  -2.615   5.879
   95    H    VAL  13           H        VAL  13 -11.354  -0.713   9.139
   96    HA   VAL  13           HA       VAL  13 -12.825   0.423  11.373
   97    HB   VAL  13           HB       VAL  13  -9.937  -0.396  11.408
   98   1HG1  VAL  13          1HG1      VAL  13 -11.183   1.832  13.055
   99   2HG1  VAL  13          2HG1      VAL  13  -9.593   1.092  13.366
  100   3HG1  VAL  13          3HG1      VAL  13  -9.877   1.992  11.856
  101   1HG2  VAL  13          1HG2      VAL  13 -12.376  -1.103  12.826
  102   2HG2  VAL  13          2HG2      VAL  13 -10.796  -1.922  12.796
  103   3HG2  VAL  13          3HG2      VAL  13 -11.091  -0.600  13.951
  104    H    LEU  14           H        LEU  14  -9.860   0.860   9.309
  105    HA   LEU  14           HA       LEU  14 -11.017   3.391   8.424
  106   1HB   LEU  14          1HB       LEU  14  -9.028   3.267  10.353
  107   2HB   LEU  14          2HB       LEU  14  -8.141   3.556   8.869
  108    HG   LEU  14           HG       LEU  14  -9.613   5.526   8.418
  109   1HD1  LEU  14          1HD1      LEU  14 -11.565   4.830   9.717
  110   2HD1  LEU  14          2HD1      LEU  14 -10.636   5.012  11.225
  111   3HD1  LEU  14          3HD1      LEU  14 -10.990   6.438  10.220
  112   1HD2  LEU  14          1HD2      LEU  14  -7.363   5.379   9.894
  113   2HD2  LEU  14          2HD2      LEU  14  -8.205   6.903   9.522
  114   3HD2  LEU  14          3HD2      LEU  14  -8.466   6.102  11.090
  115    H    SER  15           H        SER  15  -8.131   1.201   8.086
  116    HA   SER  15           HA       SER  15  -7.377   0.140   6.328
  117   1HB   SER  15          1HB       SER  15  -9.884   0.071   5.602
  118   2HB   SER  15          2HB       SER  15  -9.474   1.384   4.516
  119    HG   SER  15           HG       SER  15  -8.658  -1.346   4.454
  120    H    GLN  16           H        GLN  16  -8.696   3.368   5.266
  121    HA   GLN  16           HA       GLN  16  -6.089   4.401   5.012
  122   1HB   GLN  16          1HB       GLN  16  -6.694   4.918   2.414
  123   2HB   GLN  16          2HB       GLN  16  -5.703   3.563   2.917
  124   1HG   GLN  16          1HG       GLN  16  -8.651   3.069   2.977
  125   2HG   GLN  16          2HG       GLN  16  -7.973   3.327   1.382
  126   1HE2  GLN  16          2HE2      GLN  16  -8.949   0.984   1.602
  127   2HE2  GLN  16          1HE2      GLN  16  -7.787  -0.271   1.876
  128    H    GLY  17           H        GLY  17  -6.865   6.094   6.323
  129   1HA   GLY  17          1HA       GLY  17  -8.564   7.634   6.926
  130   2HA   GLY  17          2HA       GLY  17  -9.154   7.628   5.276
  131    HA   PRO  18           HA       PRO  18  -5.938  10.950   5.968
  132   1HB   PRO  18          1HB       PRO  18  -3.762  10.564   7.576
  133   2HB   PRO  18          2HB       PRO  18  -5.281  11.216   8.159
  134   1HG   PRO  18          1HG       PRO  18  -4.156   8.510   8.545
  135   2HG   PRO  18          2HG       PRO  18  -5.429   9.308   9.447
  136   1HD   PRO  18          1HD       PRO  18  -5.755   7.267   7.457
  137   2HD   PRO  18          2HD       PRO  18  -7.031   8.148   8.275
  138    H    THR  19           H        THR  19  -3.421  11.583   5.574
  139    HA   THR  19           HA       THR  19  -2.890  10.289   3.107
  140    HB   THR  19           HB       THR  19  -1.390  12.294   4.865
  141    HG1  THR  19           HG1      THR  19  -2.831  13.549   3.752
  142   1HG2  THR  19          1HG2      THR  19  -0.350  10.776   2.653
  143   2HG2  THR  19          2HG2      THR  19  -0.723  12.407   2.044
  144   3HG2  THR  19          3HG2      THR  19   0.380  12.204   3.426
  145    H    GLY  20           H        GLY  20  -0.958  10.390   6.182
  146   1HA   GLY  20          1HA       GLY  20  -0.138   7.622   5.602
  147   2HA   GLY  20          2HA       GLY  20  -0.123   8.412   7.166
  148    H    LEU  21           H        LEU  21   1.805   9.208   7.903
  149    HA   LEU  21           HA       LEU  21   4.046   9.126   6.096
  150   1HB   LEU  21          1HB       LEU  21   2.798  11.659   6.975
  151   2HB   LEU  21          2HB       LEU  21   4.541  11.570   7.142
  152    HG   LEU  21           HG       LEU  21   3.155  10.904   4.542
  153   1HD1  LEU  21          1HD1      LEU  21   2.996  13.390   5.745
  154   2HD1  LEU  21          2HD1      LEU  21   4.388  13.548   4.647
  155   3HD1  LEU  21          3HD1      LEU  21   2.805  13.040   4.011
  156   1HD2  LEU  21          1HD2      LEU  21   5.803  10.650   5.404
  157   2HD2  LEU  21          2HD2      LEU  21   5.195  10.557   3.733
  158   3HD2  LEU  21          3HD2      LEU  21   5.787  12.106   4.380
  159    H    LEU  22           H        LEU  22   4.203   7.278   7.705
  160    HA   LEU  22           HA       LEU  22   6.114   7.923   9.630
  161   1HB   LEU  22          1HB       LEU  22   3.866   8.786  10.639
  162   2HB   LEU  22          2HB       LEU  22   3.564   7.091  10.966
  163    HG   LEU  22           HG       LEU  22   6.203   7.679  11.881
  164   1HD1  LEU  22          1HD1      LEU  22   5.519  10.044  11.875
  165   2HD1  LEU  22          2HD1      LEU  22   4.144   9.639  12.931
  166   3HD1  LEU  22          3HD1      LEU  22   5.810   9.427  13.519
  167   1HD2  LEU  22          1HD2      LEU  22   4.759   5.915  12.747
  168   2HD2  LEU  22          2HD2      LEU  22   5.282   7.008  14.051
  169   3HD2  LEU  22          3HD2      LEU  22   3.633   7.133  13.392
  170    H    GLY  23           H        GLY  23   3.314   5.606   9.457
  171   1HA   GLY  23          1HA       GLY  23   3.273   3.363   9.321
  172   2HA   GLY  23          2HA       GLY  23   4.873   3.341  10.035
  173    H    LYS  24           H        LYS  24   4.284   5.164   7.043
  174    HA   LYS  24           HA       LYS  24   4.986   3.024   5.305
  175   1HB   LYS  24          1HB       LYS  24   3.750   5.485   5.041
  176   2HB   LYS  24          2HB       LYS  24   5.302   5.756   4.275
  177   1HG   LYS  24          1HG       LYS  24   4.068   4.885   2.485
  178   2HG   LYS  24          2HG       LYS  24   4.845   3.436   3.090
  179   1HD   LYS  24          1HD       LYS  24   2.750   2.551   3.218
  180   2HD   LYS  24          2HD       LYS  24   2.549   3.536   4.653
  181   1HE   LYS  24          1HE       LYS  24   0.670   4.022   3.213
  182   2HE   LYS  24          2HE       LYS  24   1.717   5.426   3.159
  183    H    VAL  25           H        VAL  25   6.716   5.453   7.197
  184    HA   VAL  25           HA       VAL  25   9.139   5.166   5.684
  185    HB   VAL  25           HB       VAL  25   8.437   6.512   8.296
  186   1HG1  VAL  25          1HG1      VAL  25  10.812   5.758   8.257
  187   2HG1  VAL  25          2HG1      VAL  25  11.053   6.700   6.766
  188   3HG1  VAL  25          3HG1      VAL  25  10.633   7.529   8.285
  189   1HG2  VAL  25          1HG2      VAL  25   8.000   7.251   5.609
  190   2HG2  VAL  25          2HG2      VAL  25   7.820   8.264   7.062
  191   3HG2  VAL  25          3HG2      VAL  25   9.364   8.244   6.176
  192    H    ALA  26           H        ALA  26   7.465   3.456   8.213
  193    HA   ALA  26           HA       ALA  26   9.763   2.379   9.485
  194   1HB   ALA  26          1HB       ALA  26   8.203   1.112  10.727
  195   2HB   ALA  26          2HB       ALA  26   7.004   1.131   9.412
  196   3HB   ALA  26          3HB       ALA  26   7.328   2.613  10.342
  197    H    LYS  27           H        LYS  27   7.297   0.917   7.239
  198    HA   LYS  27           HA       LYS  27   8.605  -1.457   6.830
  199   1HB   LYS  27          1HB       LYS  27   6.420   0.023   5.646
  200   2HB   LYS  27          2HB       LYS  27   7.348  -0.779   4.395
  201   1HG   LYS  27          1HG       LYS  27   7.152  -2.942   5.579
  202   2HG   LYS  27          2HG       LYS  27   6.334  -2.166   6.921
  203   1HD   LYS  27          1HD       LYS  27   4.779  -1.346   4.770
  204   2HD   LYS  27          2HD       LYS  27   5.271  -2.948   4.258
  205   1HE   LYS  27          1HE       LYS  27   4.562  -3.150   7.034
  206   2HE   LYS  27          2HE       LYS  27   3.300  -2.214   6.258
  207    H    THR  28           H        THR  28   8.854   1.585   4.860
  208    HA   THR  28           HA       THR  28  10.627   0.790   2.979
  209    HB   THR  28           HB       THR  28  10.659   3.423   4.547
  210    HG1  THR  28           HG1      THR  28   9.135   2.292   2.308
  211   1HG2  THR  28          1HG2      THR  28  11.641   2.534   1.815
  212   2HG2  THR  28          2HG2      THR  28  11.011   4.185   2.023
  213   3HG2  THR  28          3HG2      THR  28  12.416   3.643   2.972
  214    H    TYR  29           H        TYR  29  11.624   2.159   6.192
  215    HA   TYR  29           HA       TYR  29  14.333   1.577   5.799
  216   1HB   TYR  29          1HB       TYR  29  12.822   3.024   7.535
  217   2HB   TYR  29          2HB       TYR  29  12.897   1.559   8.494
  218    HD1  TYR  29           HD1      TYR  29  15.336   3.613   6.495
  219    HD2  TYR  29           HD2      TYR  29  14.485   1.600  10.173
  220    HE1  TYR  29           HE1      TYR  29  17.596   4.326   7.417
  221    HE2  TYR  29           HE2      TYR  29  16.747   2.320  11.082
  222    HH   TYR  29           HH       TYR  29  19.151   3.696   9.048
  223    H    GLN  30           H        GLN  30  11.638  -0.272   7.323
  224    HA   GLN  30           HA       GLN  30  13.108  -2.209   8.532
  225   1HB   GLN  30          1HB       GLN  30  10.388  -1.745   7.913
  226   2HB   GLN  30          2HB       GLN  30  10.728  -3.331   7.251
  227   1HG   GLN  30          1HG       GLN  30  10.139  -3.853   9.467
  228   2HG   GLN  30          2HG       GLN  30  11.889  -3.808   9.563
  229   1HE2  GLN  30          2HE2      GLN  30   9.859  -3.370  11.612
  230   2HE2  GLN  30          1HE2      GLN  30  10.139  -1.803  12.293
  231    H    PHE  31           H        PHE  31  12.749  -1.547   5.130
  232    HA   PHE  31           HA       PHE  31  13.825  -4.201   4.496
  233   1HB   PHE  31          1HB       PHE  31  11.650  -2.742   3.488
  234   2HB   PHE  31          2HB       PHE  31  12.913  -2.304   2.356
  235    HD1  PHE  31           HD1      PHE  31  13.178  -3.624   0.486
  236    HD2  PHE  31           HD2      PHE  31  11.518  -5.366   3.982
  237    HE1  PHE  31           HE1      PHE  31  12.804  -5.770  -0.761
  238    HE2  PHE  31           HE2      PHE  31  11.143  -7.512   2.734
  239    HZ   PHE  31           HZ       PHE  31  11.790  -7.688   0.378
  240    H    LEU  32           H        LEU  32  14.067  -0.680   3.629
  241    HA   LEU  32           HA       LEU  32  16.278  -0.830   2.027
  242   1HB   LEU  32          1HB       LEU  32  14.815   1.185   3.495
  243   2HB   LEU  32          2HB       LEU  32  16.532   1.534   3.516
  244    HG   LEU  32           HG       LEU  32  15.173   0.864   0.918
  245   1HD1  LEU  32          1HD1      LEU  32  15.043   3.491   2.400
  246   2HD1  LEU  32          2HD1      LEU  32  14.892   3.383   0.629
  247   3HD1  LEU  32          3HD1      LEU  32  13.718   2.548   1.675
  248   1HD2  LEU  32          1HD2      LEU  32  17.774   1.253   1.487
  249   2HD2  LEU  32          2HD2      LEU  32  17.035   1.665  -0.080
  250   3HD2  LEU  32          3HD2      LEU  32  17.288   2.931   1.145
  251    H    PHE  33           H        PHE  33  16.008  -1.162   5.546
  252    HA   PHE  33           HA       PHE  33  18.482  -0.575   6.426
  253   1HB   PHE  33          1HB       PHE  33  16.533  -1.497   7.740
  254   2HB   PHE  33          2HB       PHE  33  16.737  -3.054   6.961
  255    HD1  PHE  33           HD1      PHE  33  18.144  -0.732   9.431
  256    HD2  PHE  33           HD2      PHE  33  18.473  -4.573   7.657
  257    HE1  PHE  33           HE1      PHE  33  19.701  -1.446  11.266
  258    HE2  PHE  33           HE2      PHE  33  20.031  -5.287   9.492
  259    HZ   PHE  33           HZ       PHE  33  20.626  -3.715  11.274
  260    H    SER  34           H        SER  34  17.484  -3.497   4.574
  261    HA   SER  34           HA       SER  34  20.263  -3.907   3.958
  262   1HB   SER  34          1HB       SER  34  20.252  -5.396   5.775
  263   2HB   SER  34          2HB       SER  34  18.574  -5.844   5.539
  264    HG   SER  34           HG       SER  34  19.122  -7.196   3.839
  265    H    ILE  35           H        ILE  35  19.814  -3.422   1.772
  266    HA   ILE  35           HA       ILE  35  17.797  -5.133   0.499
  267    HB   ILE  35           HB       ILE  35  17.957  -3.369  -1.330
  268   1HG1  ILE  35          1HG1      ILE  35  19.119  -1.673   0.894
  269   2HG1  ILE  35          2HG1      ILE  35  20.087  -2.369  -0.391
  270   1HG2  ILE  35          1HG2      ILE  35  16.774  -2.747   1.386
  271   2HG2  ILE  35          2HG2      ILE  35  16.401  -1.844  -0.102
  272   3HG2  ILE  35          3HG2      ILE  35  15.991  -3.572   0.017
  273   1HD1  ILE  35          1HD1      ILE  35  18.420  -1.247  -2.038
  274   2HD1  ILE  35          2HD1      ILE  35  17.857  -0.318  -0.628
  275   3HD1  ILE  35          3HD1      ILE  35  19.548  -0.182  -1.166
  276    H    GLY  36           H        GLY  36  21.196  -4.226   0.712
  277   1HA   GLY  36          1HA       GLY  36  22.644  -4.654  -1.277
  278   2HA   GLY  36          2HA       GLY  36  21.773  -6.165  -1.447
  279    H    ARG  37           H        ARG  37  24.700  -5.268  -0.670
  280    HA   ARG  37           HA       ARG  37  24.839  -7.121   1.567
  281   1HB   ARG  37          1HB       ARG  37  26.495  -6.692  -0.874
  282   2HB   ARG  37          2HB       ARG  37  27.434  -6.922   0.588
  283   1HG   ARG  37          1HG       ARG  37  26.329  -9.055   1.050
  284   2HG   ARG  37          2HG       ARG  37  25.171  -8.795  -0.239
  285   1HD   ARG  37          1HD       ARG  37  28.091  -8.731  -0.981
  286   2HD   ARG  37          2HD       ARG  37  27.399 -10.291  -0.586
  287    HE   ARG  37           HE       ARG  37  26.736  -8.615  -2.918
  288   1HH1  ARG  37          1HH1      ARG  37  25.410  -9.551  -4.526
  289   2HH1  ARG  37          2HH1      ARG  37  24.566 -11.028  -4.201
  290   1HH2  ARG  37          1HH2      ARG  37  25.787 -11.347  -0.912
  291   2HH2  ARG  37          2HH2      ARG  37  24.782 -12.056  -2.131
  292    H    CYS  38           H        CYS  38  25.524  -3.875   0.391
  293    HA   CYS  38           HA       CYS  38  25.948  -2.829   2.894
  294   1HB   CYS  38          1HB       CYS  38  28.207  -4.245   2.292
  295   2HB   CYS  38          2HB       CYS  38  28.633  -2.670   1.654
  296    HG   CYS  38           HG       CYS  38  27.507  -1.498   3.960
  297    HA   PRO  39           HA       PRO  39  25.340  -0.150  -0.768
  298   1HB   PRO  39          1HB       PRO  39  22.788   0.675  -0.244
  299   2HB   PRO  39          2HB       PRO  39  23.162  -0.665  -1.309
  300   1HG   PRO  39          1HG       PRO  39  22.094  -0.729   1.447
  301   2HG   PRO  39          2HG       PRO  39  22.075  -1.993   0.233
  302   1HD   PRO  39          1HD       PRO  39  23.818  -1.822   2.504
  303   2HD   PRO  39          2HD       PRO  39  23.875  -3.021   1.227
  304    H    ILE  40           H        ILE  40  26.858   1.350  -0.241
  305    HA   ILE  40           HA       ILE  40  26.747   2.776   2.140
  306    HB   ILE  40           HB       ILE  40  28.022   3.441  -0.514
  307   1HG1  ILE  40          1HG1      ILE  40  28.619   1.276   0.793
  308   2HG1  ILE  40          2HG1      ILE  40  29.903   2.297   0.178
  309   1HG2  ILE  40          1HG2      ILE  40  28.450   4.683   2.216
  310   2HG2  ILE  40          2HG2      ILE  40  29.494   4.940   0.798
  311   3HG2  ILE  40          3HG2      ILE  40  27.797   5.477   0.763
  312   1HD1  ILE  40          1HD1      ILE  40  28.817   2.688   2.989
  313   2HD1  ILE  40          2HD1      ILE  40  30.082   1.485   2.641
  314   3HD1  ILE  40          3HD1      ILE  40  30.383   3.211   2.324
  315    H    LEU  41           H        LEU  41  26.517   4.618  -0.916
  316    HA   LEU  41           HA       LEU  41  24.117   5.894   0.200
  317   1HB   LEU  41          1HB       LEU  41  26.155   7.291   0.198
  318   2HB   LEU  41          2HB       LEU  41  26.267   7.108  -1.541
  319    HG   LEU  41           HG       LEU  41  24.138   8.280  -1.836
  320   1HD1  LEU  41          1HD1      LEU  41  23.881   7.780   1.012
  321   2HD1  LEU  41          2HD1      LEU  41  23.622   9.497   0.620
  322   3HD1  LEU  41          3HD1      LEU  41  22.648   8.244  -0.186
  323   1HD2  LEU  41          1HD2      LEU  41  26.395   9.466  -1.622
  324   2HD2  LEU  41          2HD2      LEU  41  24.925  10.454  -1.450
  325   3HD2  LEU  41          3HD2      LEU  41  25.844   9.966  -0.006
  326    H    ALA  42           H        ALA  42  23.452   3.665  -1.039
  327    HA   ALA  42           HA       ALA  42  22.485   2.719  -2.805
  328   1HB   ALA  42          1HB       ALA  42  20.547   3.831  -3.020
  329   2HB   ALA  42          2HB       ALA  42  21.335   5.062  -4.037
  330   3HB   ALA  42          3HB       ALA  42  21.306   5.254  -2.267
  331    H    THR  43           H        THR  43  25.065   2.800  -3.396
  332    HA   THR  43           HA       THR  43  26.565   2.840  -5.037
  333    HB   THR  43           HB       THR  43  24.022   3.053  -6.733
  334    HG1  THR  43           HG1      THR  43  25.812   0.949  -5.740
  335   1HG2  THR  43          1HG2      THR  43  26.888   2.903  -7.461
  336   2HG2  THR  43          2HG2      THR  43  25.948   1.523  -8.078
  337   3HG2  THR  43          3HG2      THR  43  25.475   3.184  -8.507
  338    H    GLN  44           H        GLN  44  26.496   5.169  -3.680
  339    HA   GLN  44           HA       GLN  44  27.392   6.943  -5.702
  340   1HB   GLN  44          1HB       GLN  44  24.686   7.193  -4.997
  341   2HB   GLN  44          2HB       GLN  44  25.473   8.429  -4.036
  342   1HG   GLN  44          1HG       GLN  44  25.487   9.732  -5.894
  343   2HG   GLN  44          2HG       GLN  44  26.720   8.669  -6.543
  344   1HE2  GLN  44          2HE2      GLN  44  23.193   8.795  -6.062
  345   2HE2  GLN  44          1HE2      GLN  44  22.738   8.137  -7.599
  346    H    GLY  45           H        GLY  45  28.351   5.437  -3.301
  347   1HA   GLY  45          1HA       GLY  45  29.616   5.744  -1.466
  348   2HA   GLY  45          2HA       GLY  45  28.680   7.181  -1.105
  349    HA   PRO  46           HA       PRO  46  32.320   9.356  -2.116
  350   1HB   PRO  46          1HB       PRO  46  34.249   8.743  -0.279
  351   2HB   PRO  46          2HB       PRO  46  32.915   9.829   0.057
  352   1HG   PRO  46          1HG       PRO  46  33.307   7.040   0.956
  353   2HG   PRO  46          2HG       PRO  46  32.232   8.262   1.605
  354   1HD   PRO  46          1HD       PRO  46  31.503   6.048  -0.067
  355   2HD   PRO  46          2HD       PRO  46  30.450   7.334   0.487
  356    H    THR  47           H        THR  47  34.084   9.543  -3.471
  357    HA   THR  47           HA       THR  47  34.741   7.061  -4.746
  358    HB   THR  47           HB       THR  47  34.428   9.148  -6.031
  359    HG1  THR  47           HG1      THR  47  36.146   7.504  -6.566
  360   1HG2  THR  47          1HG2      THR  47  36.795  10.127  -4.352
  361   2HG2  THR  47          2HG2      THR  47  36.249  10.916  -5.852
  362   3HG2  THR  47          3HG2      THR  47  35.176  10.862  -4.433
  363    H    CYS  48           H        CYS  48  36.283   9.255  -2.387
  364    HA   CYS  48           HA       CYS  48  38.062   9.008  -1.127
  365   1HB   CYS  48          1HB       CYS  48  37.352   6.174  -1.682
  366   2HB   CYS  48          2HB       CYS  48  38.976   6.453  -1.086
  367    HG   CYS  48           HG       CYS  48  37.801   5.995   1.056
  368    H    SER  49           H        SER  49  40.417   9.024  -1.318
  369    HA   SER  49           HA       SER  49  42.323   9.178  -2.346
  370   1HB   SER  49          1HB       SER  49  41.988   6.786  -2.959
  371   2HB   SER  49          2HB       SER  49  41.154   7.271  -4.421
  372    HG   SER  49           HG       SER  49  43.089   7.279  -5.327

  No H/Q in entry =         372
  Start of MODEL   20
    1    H    MET   1           H        MET   1 -24.588  34.654  -4.383
    2    HA   MET   1           HA       MET   1 -22.687  36.340  -5.809
    3   1HB   MET   1          1HB       MET   1 -25.554  35.920  -5.979
    4   2HB   MET   1          2HB       MET   1 -25.293  37.575  -5.466
    5   1HG   MET   1          1HG       MET   1 -23.990  38.099  -7.415
    6   2HG   MET   1          2HG       MET   1 -23.738  36.410  -7.808
    7   1HE   MET   1          1HE       MET   1 -24.530  38.642  -9.618
    8   2HE   MET   1          2HE       MET   1 -24.816  37.136 -10.524
    9   3HE   MET   1          3HE       MET   1 -26.086  38.381 -10.442
   10    H    VAL   2           H        VAL   2 -23.854  35.609  -2.704
   11    HA   VAL   2           HA       VAL   2 -22.899  38.197  -1.740
   12    HB   VAL   2           HB       VAL   2 -24.733  38.203  -0.070
   13   1HG1  VAL   2          1HG1      VAL   2 -24.710  39.246  -2.562
   14   2HG1  VAL   2          2HG1      VAL   2 -26.177  38.244  -2.668
   15   3HG1  VAL   2          3HG1      VAL   2 -26.042  39.492  -1.406
   16   1HG2  VAL   2          1HG2      VAL   2 -25.513  35.744  -1.577
   17   2HG2  VAL   2          2HG2      VAL   2 -25.660  36.124   0.156
   18   3HG2  VAL   2          3HG2      VAL   2 -26.814  36.817  -1.008
   19    H    ALA   3           H        ALA   3 -21.074  36.364  -1.765
   20    HA   ALA   3           HA       ALA   3 -20.512  35.810   0.893
   21   1HB   ALA   3          1HB       ALA   3 -20.785  33.120  -0.125
   22   2HB   ALA   3          2HB       ALA   3 -21.498  33.842   1.337
   23   3HB   ALA   3          3HB       ALA   3 -22.356  33.952  -0.218
   24    H    ALA   4           H        ALA   4 -18.315  35.518   1.032
   25    HA   ALA   4           HA       ALA   4 -16.970  34.803  -1.485
   26   1HB   ALA   4          1HB       ALA   4 -16.605  37.025   0.448
   27   2HB   ALA   4          2HB       ALA   4 -16.190  36.931  -1.280
   28   3HB   ALA   4          3HB       ALA   4 -15.105  36.215  -0.064
   29    H    ALA   5           H        ALA   5 -17.535  32.570  -0.414
   30    HA   ALA   5           HA       ALA   5 -16.256  31.761   1.911
   31   1HB   ALA   5          1HB       ALA   5 -17.623  30.561  -0.401
   32   2HB   ALA   5          2HB       ALA   5 -17.679  30.108   1.319
   33   3HB   ALA   5          3HB       ALA   5 -16.358  29.513   0.285
   34    H    MET   6           H        MET   6 -15.224  31.185  -1.534
   35    HA   MET   6           HA       MET   6 -13.261  30.964  -2.439
   36   1HB   MET   6          1HB       MET   6 -12.749  32.794  -0.133
   37   2HB   MET   6          2HB       MET   6 -11.309  31.978  -0.709
   38   1HG   MET   6          1HG       MET   6 -12.919  32.960  -2.959
   39   2HG   MET   6          2HG       MET   6 -12.537  34.263  -1.852
   40   1HE   MET   6          1HE       MET   6 -11.040  35.612  -3.240
   41   2HE   MET   6          2HE       MET   6  -9.678  35.019  -4.221
   42   3HE   MET   6          3HE       MET   6 -11.347  34.589  -4.664
   43    H    LEU   7           H        LEU   7 -13.501  28.614  -2.124
   44    HA   LEU   7           HA       LEU   7 -11.236  27.532  -0.792
   45   1HB   LEU   7          1HB       LEU   7 -13.790  27.606   0.614
   46   2HB   LEU   7          2HB       LEU   7 -13.185  25.974   0.415
   47    HG   LEU   7           HG       LEU   7 -11.257  28.023   1.406
   48   1HD1  LEU   7          1HD1      LEU   7 -13.575  26.976   3.044
   49   2HD1  LEU   7          2HD1      LEU   7 -12.085  27.644   3.753
   50   3HD1  LEU   7          3HD1      LEU   7 -13.121  28.669   2.732
   51   1HD2  LEU   7          1HD2      LEU   7 -11.692  25.083   1.607
   52   2HD2  LEU   7          2HD2      LEU   7 -10.198  26.012   1.336
   53   3HD2  LEU   7          3HD2      LEU   7 -10.891  25.898   2.972
   54    H    LEU   8           H        LEU   8 -14.569  26.342  -1.620
   55    HA   LEU   8           HA       LEU   8 -15.172  24.612  -2.885
   56   1HB   LEU   8          1HB       LEU   8 -13.399  26.230  -4.698
   57   2HB   LEU   8          2HB       LEU   8 -14.266  24.822  -5.279
   58    HG   LEU   8           HG       LEU   8 -16.350  26.067  -4.207
   59   1HD1  LEU   8          1HD1      LEU   8 -14.901  27.887  -3.273
   60   2HD1  LEU   8          2HD1      LEU   8 -14.593  28.418  -4.944
   61   3HD1  LEU   8          3HD1      LEU   8 -16.248  28.449  -4.291
   62   1HD2  LEU   8          1HD2      LEU   8 -15.081  26.722  -6.877
   63   2HD2  LEU   8          2HD2      LEU   8 -16.256  25.435  -6.516
   64   3HD2  LEU   8          3HD2      LEU   8 -16.750  27.143  -6.424
   65    H    ARG   9           H        ARG   9 -14.279  22.926  -1.569
   66    HA   ARG   9           HA       ARG   9 -12.254  21.501  -2.999
   67   1HB   ARG   9          1HB       ARG   9 -11.794  22.762  -0.314
   68   2HB   ARG   9          2HB       ARG   9 -11.234  21.110  -0.481
   69   1HG   ARG   9          1HG       ARG   9 -10.533  22.789  -2.814
   70   2HG   ARG   9          2HG       ARG   9  -9.858  23.401  -1.317
   71   1HD   ARG   9          1HD       ARG   9  -8.921  21.103  -0.836
   72   2HD   ARG   9          2HD       ARG   9  -9.537  20.553  -2.382
   73    HE   ARG   9           HE       ARG   9  -7.887  22.944  -2.648
   74   1HH1  ARG   9          1HH1      ARG   9  -5.853  22.748  -3.670
   75   2HH1  ARG   9          2HH1      ARG   9  -5.139  21.185  -3.885
   76   1HH2  ARG   9          1HH2      ARG   9  -7.791  19.438  -2.360
   77   2HH2  ARG   9          2HH2      ARG   9  -6.249  19.289  -3.135
   78    H    SER  10           H        SER  10 -13.573  21.422   0.397
   79    HA   SER  10           HA       SER  10 -15.089  20.096   1.294
   80   1HB   SER  10          1HB       SER  10 -15.843  19.751  -1.287
   81   2HB   SER  10          2HB       SER  10 -15.243  18.135  -0.973
   82    HG   SER  10           HG       SER  10 -17.366  18.030  -0.346
   83    H    CYS  11           H        CYS  11 -12.057  19.329  -0.016
   84    HA   CYS  11           HA       CYS  11 -10.485  17.877   0.467
   85   1HB   CYS  11          1HB       CYS  11 -11.303  18.671   2.849
   86   2HB   CYS  11          2HB       CYS  11 -11.856  17.015   2.999
   87    HG   CYS  11           HG       CYS  11  -9.086  16.933   1.557
   88    HA   PRO  12           HA       PRO  12 -12.887  14.390  -1.063
   89   1HB   PRO  12          1HB       PRO  12 -11.339  13.864  -3.252
   90   2HB   PRO  12          2HB       PRO  12 -12.733  14.924  -3.297
   91   1HG   PRO  12          1HG       PRO  12  -9.864  15.634  -3.319
   92   2HG   PRO  12          2HG       PRO  12 -11.241  16.614  -3.784
   93   1HD   PRO  12          1HD       PRO  12  -9.742  16.807  -1.346
   94   2HD   PRO  12          2HD       PRO  12 -11.188  17.706  -1.761
   95    H    VAL  13           H        VAL  13  -9.596  14.786  -0.220
   96    HA   VAL  13           HA       VAL  13  -9.225  11.905  -0.107
   97    HB   VAL  13           HB       VAL  13  -7.502  13.432  -1.041
   98   1HG1  VAL  13          1HG1      VAL  13  -7.873  15.322   0.523
   99   2HG1  VAL  13          2HG1      VAL  13  -7.153  14.354   1.832
  100   3HG1  VAL  13          3HG1      VAL  13  -6.165  14.831   0.431
  101   1HG2  VAL  13          1HG2      VAL  13  -7.148  11.151   0.299
  102   2HG2  VAL  13          2HG2      VAL  13  -5.781  12.101  -0.333
  103   3HG2  VAL  13          3HG2      VAL  13  -6.236  12.229   1.383
  104    H    LEU  14           H        LEU  14 -10.332  14.538   1.838
  105    HA   LEU  14           HA       LEU  14 -11.218  14.405   3.897
  106   1HB   LEU  14          1HB       LEU  14 -11.030  11.806   3.447
  107   2HB   LEU  14          2HB       LEU  14  -9.740  11.917   4.628
  108    HG   LEU  14           HG       LEU  14 -11.899  13.330   5.758
  109   1HD1  LEU  14          1HD1      LEU  14 -13.132  11.948   3.863
  110   2HD1  LEU  14          2HD1      LEU  14 -12.994  10.640   5.062
  111   3HD1  LEU  14          3HD1      LEU  14 -13.835  12.150   5.486
  112   1HD2  LEU  14          1HD2      LEU  14 -10.472  10.751   6.265
  113   2HD2  LEU  14          2HD2      LEU  14 -10.564  12.227   7.255
  114   3HD2  LEU  14          3HD2      LEU  14 -11.950  11.113   7.187
  115    H    SER  15           H        SER  15  -7.785  13.292   3.602
  116    HA   SER  15           HA       SER  15  -6.000  13.835   4.744
  117   1HB   SER  15          1HB       SER  15  -6.216  15.783   3.247
  118   2HB   SER  15          2HB       SER  15  -7.225  16.609   4.418
  119    HG   SER  15           HG       SER  15  -5.019  15.943   5.766
  120    H    GLN  16           H        GLN  16  -6.714  12.705   6.731
  121    HA   GLN  16           HA       GLN  16  -6.656  14.477   8.936
  122   1HB   GLN  16          1HB       GLN  16  -9.237  13.673   7.966
  123   2HB   GLN  16          2HB       GLN  16  -8.964  12.825   9.475
  124   1HG   GLN  16          1HG       GLN  16  -8.078  15.282  10.225
  125   2HG   GLN  16          2HG       GLN  16  -9.195  15.778   8.968
  126   1HE2  GLN  16          2HE2      GLN  16  -8.897  13.720  11.838
  127   2HE2  GLN  16          1HE2      GLN  16 -10.528  13.874  12.400
  128    H    GLY  17           H        GLY  17  -7.392  11.143   7.736
  129   1HA   GLY  17          1HA       GLY  17  -6.955   9.121   8.703
  130   2HA   GLY  17          2HA       GLY  17  -6.329   9.920  10.132
  131    HA   PRO  18           HA       PRO  18  -2.933   8.696   7.111
  132   1HB   PRO  18          1HB       PRO  18  -3.074   9.329   4.456
  133   2HB   PRO  18          2HB       PRO  18  -3.636   7.803   5.109
  134   1HG   PRO  18          1HG       PRO  18  -5.223  10.124   4.196
  135   2HG   PRO  18          2HG       PRO  18  -5.741   8.469   4.443
  136   1HD   PRO  18          1HD       PRO  18  -6.239  10.699   6.177
  137   2HD   PRO  18          2HD       PRO  18  -6.656   9.024   6.478
  138    H    THR  19           H        THR  19  -3.369  11.233   4.785
  139    HA   THR  19           HA       THR  19  -2.495  13.291   4.664
  140    HB   THR  19           HB       THR  19  -1.353  13.028   7.472
  141    HG1  THR  19           HG1      THR  19  -3.471  12.500   7.926
  142   1HG2  THR  19          1HG2      THR  19  -1.795  15.178   5.592
  143   2HG2  THR  19          2HG2      THR  19  -2.932  15.389   6.945
  144   3HG2  THR  19          3HG2      THR  19  -1.183  15.294   7.260
  145    H    GLY  20           H        GLY  20  -0.301  11.071   6.509
  146   1HA   GLY  20          1HA       GLY  20   2.136  11.834   5.938
  147   2HA   GLY  20          2HA       GLY  20   1.637  11.348   4.330
  148    H    LEU  21           H        LEU  21   0.796   9.929   7.562
  149    HA   LEU  21           HA       LEU  21   0.962   7.870   8.343
  150   1HB   LEU  21          1HB       LEU  21   1.344   7.094   5.448
  151   2HB   LEU  21          2HB       LEU  21   1.092   5.965   6.765
  152    HG   LEU  21           HG       LEU  21  -0.925   8.138   6.280
  153   1HD1  LEU  21          1HD1      LEU  21  -0.175   6.444   4.223
  154   2HD1  LEU  21          2HD1      LEU  21  -1.589   5.632   4.940
  155   3HD1  LEU  21          3HD1      LEU  21  -1.722   7.313   4.370
  156   1HD2  LEU  21          1HD2      LEU  21  -0.843   5.476   7.643
  157   2HD2  LEU  21          2HD2      LEU  21  -1.509   7.030   8.199
  158   3HD2  LEU  21          3HD2      LEU  21  -2.389   6.067   6.988
  159    H    LEU  22           H        LEU  22   2.760   8.153   9.646
  160    HA   LEU  22           HA       LEU  22   5.374   8.267   8.573
  161   1HB   LEU  22          1HB       LEU  22   6.092   8.467  10.772
  162   2HB   LEU  22          2HB       LEU  22   4.532   9.264  10.728
  163    HG   LEU  22           HG       LEU  22   4.615   6.394  11.565
  164   1HD1  LEU  22          1HD1      LEU  22   6.339   8.228  12.768
  165   2HD1  LEU  22          2HD1      LEU  22   4.929   8.152  13.851
  166   3HD1  LEU  22          3HD1      LEU  22   5.804   6.662  13.423
  167   1HD2  LEU  22          1HD2      LEU  22   2.757   8.612  11.637
  168   2HD2  LEU  22          2HD2      LEU  22   2.477   6.877  11.919
  169   3HD2  LEU  22          3HD2      LEU  22   2.997   7.924  13.261
  170    H    GLY  23           H        GLY  23   3.209   5.673   9.694
  171   1HA   GLY  23          1HA       GLY  23   3.387   3.437   9.575
  172   2HA   GLY  23          2HA       GLY  23   5.042   3.636  10.118
  173    H    LYS  24           H        LYS  24   4.224   5.325   7.165
  174    HA   LYS  24           HA       LYS  24   4.723   3.182   5.383
  175   1HB   LYS  24          1HB       LYS  24   3.349   5.115   4.780
  176   2HB   LYS  24          2HB       LYS  24   4.725   6.185   4.962
  177   1HG   LYS  24          1HG       LYS  24   4.666   5.763   2.630
  178   2HG   LYS  24          2HG       LYS  24   5.919   4.680   3.205
  179   1HD   LYS  24          1HD       LYS  24   4.775   2.957   2.277
  180   2HD   LYS  24          2HD       LYS  24   3.526   3.195   3.483
  181   1HE   LYS  24          1HE       LYS  24   2.669   5.098   1.849
  182   2HE   LYS  24          2HE       LYS  24   3.640   4.269   0.649
  183    H    VAL  25           H        VAL  25   6.703   5.866   6.763
  184    HA   VAL  25           HA       VAL  25   9.019   5.040   5.296
  185    HB   VAL  25           HB       VAL  25   8.545   7.006   7.541
  186   1HG1  VAL  25          1HG1      VAL  25  11.080   6.379   6.000
  187   2HG1  VAL  25          2HG1      VAL  25  10.829   7.888   6.911
  188   3HG1  VAL  25          3HG1      VAL  25  10.824   6.324   7.761
  189   1HG2  VAL  25          1HG2      VAL  25   7.597   7.363   5.153
  190   2HG2  VAL  25          2HG2      VAL  25   8.509   8.688   5.918
  191   3HG2  VAL  25          3HG2      VAL  25   9.290   7.660   4.692
  192    H    ALA  26           H        ALA  26   7.325   3.604   7.764
  193    HA   ALA  26           HA       ALA  26   9.526   2.936   9.475
  194   1HB   ALA  26          1HB       ALA  26   6.875   1.489   9.347
  195   2HB   ALA  26          2HB       ALA  26   7.908   1.819  10.758
  196   3HB   ALA  26          3HB       ALA  26   6.977   3.138  10.009
  197    H    LYS  27           H        LYS  27   7.315   0.891   7.431
  198    HA   LYS  27           HA       LYS  27   8.933  -1.337   7.449
  199   1HB   LYS  27          1HB       LYS  27   6.520  -0.464   6.183
  200   2HB   LYS  27          2HB       LYS  27   7.534  -1.202   4.960
  201   1HG   LYS  27          1HG       LYS  27   6.682  -3.172   5.754
  202   2HG   LYS  27          2HG       LYS  27   7.887  -2.991   7.014
  203   1HD   LYS  27          1HD       LYS  27   5.904  -1.454   8.087
  204   2HD   LYS  27          2HD       LYS  27   4.922  -2.556   7.142
  205   1HE   LYS  27          1HE       LYS  27   6.322  -4.467   8.231
  206   2HE   LYS  27          2HE       LYS  27   6.893  -3.251   9.356
  207    H    THR  28           H        THR  28   8.885   1.479   5.192
  208    HA   THR  28           HA       THR  28  10.543   0.693   3.235
  209    HB   THR  28           HB       THR  28  11.315   3.137   3.274
  210    HG1  THR  28           HG1      THR  28  11.000   4.132   5.232
  211   1HG2  THR  28          1HG2      THR  28   8.434   2.267   3.467
  212   2HG2  THR  28          2HG2      THR  28   8.769   4.010   3.601
  213   3HG2  THR  28          3HG2      THR  28   9.268   3.118   2.144
  214    H    TYR  29           H        TYR  29  11.602   1.695   6.539
  215    HA   TYR  29           HA       TYR  29  14.343   1.411   5.985
  216   1HB   TYR  29          1HB       TYR  29  12.924   2.532   7.939
  217   2HB   TYR  29          2HB       TYR  29  12.866   0.924   8.634
  218    HD1  TYR  29           HD1      TYR  29  14.450   0.417  10.246
  219    HD2  TYR  29           HD2      TYR  29  15.436   3.277   7.221
  220    HE1  TYR  29           HE1      TYR  29  16.703   0.820  11.352
  221    HE2  TYR  29           HE2      TYR  29  17.686   3.671   8.337
  222    HH   TYR  29           HH       TYR  29  19.132   1.771  10.193
  223    H    GLN  30           H        GLN  30  11.867  -0.831   7.376
  224    HA   GLN  30           HA       GLN  30  13.562  -2.828   8.120
  225   1HB   GLN  30          1HB       GLN  30  10.702  -2.523   7.561
  226   2HB   GLN  30          2HB       GLN  30  11.259  -4.127   7.126
  227   1HG   GLN  30          1HG       GLN  30  12.442  -4.147   9.457
  228   2HG   GLN  30          2HG       GLN  30  11.442  -2.759   9.838
  229   1HE2  GLN  30          2HE2      GLN  30   9.541  -3.115  10.689
  230   2HE2  GLN  30          1HE2      GLN  30   8.620  -4.580  10.623
  231    H    PHE  31           H        PHE  31  12.811  -1.673   4.927
  232    HA   PHE  31           HA       PHE  31  13.882  -4.143   3.764
  233   1HB   PHE  31          1HB       PHE  31  11.574  -2.701   3.222
  234   2HB   PHE  31          2HB       PHE  31  12.686  -1.904   2.127
  235    HD1  PHE  31           HD1      PHE  31  13.371  -2.944   0.111
  236    HD2  PHE  31           HD2      PHE  31  11.188  -5.171   2.989
  237    HE1  PHE  31           HE1      PHE  31  13.042  -4.785  -1.563
  238    HE2  PHE  31           HE2      PHE  31  10.859  -7.012   1.315
  239    HZ   PHE  31           HZ       PHE  31  11.790  -6.797  -0.941
  240    H    LEU  32           H        LEU  32  14.444  -0.730   4.366
  241    HA   LEU  32           HA       LEU  32  16.555  -0.660   2.356
  242   1HB   LEU  32          1HB       LEU  32  14.937   1.338   3.831
  243   2HB   LEU  32          2HB       LEU  32  16.597   1.783   3.485
  244    HG   LEU  32           HG       LEU  32  15.052   2.610   1.779
  245   1HD1  LEU  32          1HD1      LEU  32  17.460   1.254   1.346
  246   2HD1  LEU  32          2HD1      LEU  32  16.372   0.697   0.052
  247   3HD1  LEU  32          3HD1      LEU  32  16.675   2.437   0.273
  248   1HD2  LEU  32          1HD2      LEU  32  13.883   0.030   2.020
  249   2HD2  LEU  32          2HD2      LEU  32  13.334   1.418   1.050
  250   3HD2  LEU  32          3HD2      LEU  32  14.444   0.220   0.342
  251    H    PHE  33           H        PHE  33  16.457  -2.258   5.022
  252    HA   PHE  33           HA       PHE  33  18.628  -0.975   6.452
  253   1HB   PHE  33          1HB       PHE  33  16.472  -2.271   7.340
  254   2HB   PHE  33          2HB       PHE  33  17.358  -3.723   6.917
  255    HD1  PHE  33           HD1      PHE  33  18.461  -0.534   8.521
  256    HD2  PHE  33           HD2      PHE  33  18.043  -4.743   8.869
  257    HE1  PHE  33           HE1      PHE  33  19.632  -0.467  10.740
  258    HE2  PHE  33           HE2      PHE  33  19.215  -4.676  11.088
  259    HZ   PHE  33           HZ       PHE  33  19.995  -2.539  11.996
  260    H    SER  34           H        SER  34  18.097  -3.382   3.977
  261    HA   SER  34           HA       SER  34  20.915  -3.857   3.921
  262   1HB   SER  34          1HB       SER  34  18.916  -6.057   4.538
  263   2HB   SER  34          2HB       SER  34  20.433  -6.423   3.740
  264    HG   SER  34           HG       SER  34  21.298  -5.003   5.699
  265    H    ILE  35           H        ILE  35  17.619  -4.691   2.684
  266    HA   ILE  35           HA       ILE  35  16.800  -4.794   0.636
  267    HB   ILE  35           HB       ILE  35  19.341  -3.366  -0.152
  268   1HG1  ILE  35          1HG1      ILE  35  17.638  -2.347   1.557
  269   2HG1  ILE  35          2HG1      ILE  35  18.297  -1.365   0.264
  270   1HG2  ILE  35          1HG2      ILE  35  16.910  -4.169  -1.706
  271   2HG2  ILE  35          2HG2      ILE  35  17.711  -2.623  -2.074
  272   3HG2  ILE  35          3HG2      ILE  35  18.624  -4.147  -2.188
  273   1HD1  ILE  35          1HD1      ILE  35  15.705  -2.902  -0.122
  274   2HD1  ILE  35          2HD1      ILE  35  15.725  -1.297   0.646
  275   3HD1  ILE  35          3HD1      ILE  35  16.302  -1.490  -1.027
  276    H    GLY  36           H        GLY  36  18.897  -6.758   1.881
  277   1HA   GLY  36          1HA       GLY  36  20.003  -8.635   1.278
  278   2HA   GLY  36          2HA       GLY  36  20.158  -8.012  -0.353
  279    H    ARG  37           H        ARG  37  17.989  -7.964  -1.672
  280    HA   ARG  37           HA       ARG  37  16.912 -10.605  -1.400
  281   1HB   ARG  37          1HB       ARG  37  15.386  -9.039  -0.068
  282   2HB   ARG  37          2HB       ARG  37  15.039  -8.191  -1.562
  283   1HG   ARG  37          1HG       ARG  37  13.352  -9.689  -1.858
  284   2HG   ARG  37          2HG       ARG  37  14.597 -10.846  -2.284
  285   1HD   ARG  37          1HD       ARG  37  14.183 -10.508   0.651
  286   2HD   ARG  37          2HD       ARG  37  12.805 -11.173  -0.204
  287    HE   ARG  37           HE       ARG  37  15.235 -12.490  -1.051
  288   1HH1  ARG  37          1HH1      ARG  37  15.657 -14.625  -0.352
  289   2HH1  ARG  37          2HH1      ARG  37  14.815 -15.269   1.017
  290   1HH2  ARG  37          1HH2      ARG  37  12.941 -12.347   1.613
  291   2HH2  ARG  37          2HH2      ARG  37  13.260 -13.965   2.143
  292    H    CYS  38           H        CYS  38  18.106 -10.911  -3.414
  293    HA   CYS  38           HA       CYS  38  16.639  -9.861  -5.688
  294   1HB   CYS  38          1HB       CYS  38  18.785  -9.367  -6.891
  295   2HB   CYS  38          2HB       CYS  38  18.413  -8.264  -5.581
  296    HG   CYS  38           HG       CYS  38  19.919 -10.928  -4.608
  297    HA   PRO  39           HA       PRO  39  17.301 -13.983  -6.934
  298   1HB   PRO  39          1HB       PRO  39  16.867 -13.820  -9.628
  299   2HB   PRO  39          2HB       PRO  39  15.571 -13.889  -8.451
  300   1HG   PRO  39          1HG       PRO  39  16.549 -11.566  -9.996
  301   2HG   PRO  39          2HG       PRO  39  15.023 -11.762  -9.157
  302   1HD   PRO  39          1HD       PRO  39  17.285 -10.237  -8.271
  303   2HD   PRO  39          2HD       PRO  39  15.804 -10.529  -7.381
  304    H    ILE  40           H        ILE  40  19.098 -15.162  -6.893
  305    HA   ILE  40           HA       ILE  40  21.393 -13.964  -8.191
  306    HB   ILE  40           HB       ILE  40  22.554 -15.935  -7.094
  307   1HG1  ILE  40          1HG1      ILE  40  19.998 -16.194  -5.503
  308   2HG1  ILE  40          2HG1      ILE  40  20.352 -17.230  -6.872
  309   1HG2  ILE  40          1HG2      ILE  40  22.564 -13.623  -6.224
  310   2HG2  ILE  40          2HG2      ILE  40  21.095 -13.988  -5.287
  311   3HG2  ILE  40          3HG2      ILE  40  22.613 -14.848  -4.932
  312   1HD1  ILE  40          1HD1      ILE  40  22.713 -17.489  -5.582
  313   2HD1  ILE  40          2HD1      ILE  40  21.680 -17.106  -4.184
  314   3HD1  ILE  40          3HD1      ILE  40  21.309 -18.516  -5.204
  315    H    LEU  41           H        LEU  41  20.106 -14.281 -10.325
  316    HA   LEU  41           HA       LEU  41  20.079 -15.266 -12.304
  317   1HB   LEU  41          1HB       LEU  41  22.327 -16.573 -10.973
  318   2HB   LEU  41          2HB       LEU  41  21.580 -17.585 -12.193
  319    HG   LEU  41           HG       LEU  41  21.868 -15.764 -13.859
  320   1HD1  LEU  41          1HD1      LEU  41  22.931 -14.329 -11.466
  321   2HD1  LEU  41          2HD1      LEU  41  23.697 -14.027 -13.044
  322   3HD1  LEU  41          3HD1      LEU  41  21.956 -13.730 -12.829
  323   1HD2  LEU  41          1HD2      LEU  41  23.672 -17.613 -13.037
  324   2HD2  LEU  41          2HD2      LEU  41  23.908 -16.525 -14.425
  325   3HD2  LEU  41          3HD2      LEU  41  24.622 -16.120 -12.846
  326    H    ALA  42           H        ALA  42  17.805 -15.564 -11.214
  327    HA   ALA  42           HA       ALA  42  17.113 -18.350 -11.673
  328   1HB   ALA  42          1HB       ALA  42  17.454 -17.404  -9.080
  329   2HB   ALA  42          2HB       ALA  42  15.704 -17.227  -9.352
  330   3HB   ALA  42          3HB       ALA  42  16.480 -18.816  -9.556
  331    H    THR  43           H        THR  43  16.613 -16.811 -13.658
  332    HA   THR  43           HA       THR  43  14.284 -15.162 -13.313
  333    HB   THR  43           HB       THR  43  16.191 -14.718 -14.933
  334    HG1  THR  43           HG1      THR  43  14.470 -13.710 -15.888
  335   1HG2  THR  43          1HG2      THR  43  16.289 -17.235 -15.678
  336   2HG2  THR  43          2HG2      THR  43  14.860 -16.843 -16.665
  337   3HG2  THR  43          3HG2      THR  43  16.398 -15.993 -16.949
  338    H    GLN  44           H        GLN  44  15.014 -18.397 -14.738
  339    HA   GLN  44           HA       GLN  44  12.266 -19.072 -14.247
  340   1HB   GLN  44          1HB       GLN  44  13.149 -18.321 -16.873
  341   2HB   GLN  44          2HB       GLN  44  12.880 -20.053 -16.896
  342   1HG   GLN  44          1HG       GLN  44  10.594 -19.815 -16.160
  343   2HG   GLN  44          2HG       GLN  44  10.836 -18.144 -15.693
  344   1HE2  GLN  44          2HE2      GLN  44   8.964 -17.760 -17.020
  345   2HE2  GLN  44          1HE2      GLN  44   9.126 -17.535 -18.730
  346    H    GLY  45           H        GLY  45  15.264 -20.208 -15.977
  347   1HA   GLY  45          1HA       GLY  45  15.084 -22.697 -14.386
  348   2HA   GLY  45          2HA       GLY  45  16.584 -21.904 -14.822
  349    HA   PRO  46           HA       PRO  46  15.070 -24.800 -18.181
  350   1HB   PRO  46          1HB       PRO  46  12.436 -24.955 -18.889
  351   2HB   PRO  46          2HB       PRO  46  13.163 -25.983 -17.671
  352   1HG   PRO  46          1HG       PRO  46  11.366 -23.664 -17.307
  353   2HG   PRO  46          2HG       PRO  46  11.755 -24.940 -16.171
  354   1HD   PRO  46          1HD       PRO  46  12.776 -22.260 -16.156
  355   2HD   PRO  46          2HD       PRO  46  13.251 -23.569 -15.092
  356    H    THR  47           H        THR  47  14.506 -24.888 -20.568
  357    HA   THR  47           HA       THR  47  14.346 -22.096 -21.498
  358    HB   THR  47           HB       THR  47  16.008 -22.711 -23.207
  359    HG1  THR  47           HG1      THR  47  15.942 -25.295 -21.824
  360   1HG2  THR  47          1HG2      THR  47  16.733 -23.681 -20.400
  361   2HG2  THR  47          2HG2      THR  47  17.913 -23.635 -21.732
  362   3HG2  THR  47          3HG2      THR  47  17.165 -22.128 -21.153
  363    H    CYS  48           H        CYS  48  12.457 -21.723 -22.461
  364    HA   CYS  48           HA       CYS  48  10.717 -21.968 -23.776
  365   1HB   CYS  48          1HB       CYS  48  12.717 -23.666 -25.111
  366   2HB   CYS  48          2HB       CYS  48  11.064 -24.121 -25.472
  367    HG   CYS  48           HG       CYS  48  11.083 -22.554 -27.283
  368    H    SER  49           H        SER  49   9.956 -22.721 -21.473
  369    HA   SER  49           HA       SER  49   8.604 -23.967 -20.319
  370   1HB   SER  49          1HB       SER  49   7.519 -24.283 -22.673
  371   2HB   SER  49          2HB       SER  49   8.237 -25.882 -22.648
  372    HG   SER  49           HG       SER  49   6.801 -26.552 -21.182

  No H/Q in entry =         372
  Start of MODEL   21
    1    H    MET   1           H        MET   1 -29.978  30.570  -8.132
    2    HA   MET   1           HA       MET   1 -27.993  31.247  -9.646
    3   1HB   MET   1          1HB       MET   1 -29.497  33.563  -9.650
    4   2HB   MET   1          2HB       MET   1 -28.421  33.909  -8.311
    5   1HG   MET   1          1HG       MET   1 -26.728  32.836 -10.313
    6   2HG   MET   1          2HG       MET   1 -27.840  33.868 -11.190
    7   1HE   MET   1          1HE       MET   1 -25.121  34.500 -11.447
    8   2HE   MET   1          2HE       MET   1 -24.403  35.791 -10.455
    9   3HE   MET   1          3HE       MET   1 -24.387  34.109  -9.873
   10    H    VAL   2           H        VAL   2 -28.315  29.656  -7.459
   11    HA   VAL   2           HA       VAL   2 -26.166  30.491  -5.806
   12    HB   VAL   2           HB       VAL   2 -27.975  31.832  -4.830
   13   1HG1  VAL   2          1HG1      VAL   2 -29.340  29.151  -4.627
   14   2HG1  VAL   2          2HG1      VAL   2 -29.728  30.462  -3.487
   15   3HG1  VAL   2          3HG1      VAL   2 -29.976  30.699  -5.234
   16   1HG2  VAL   2          1HG2      VAL   2 -26.173  30.150  -3.502
   17   2HG2  VAL   2          2HG2      VAL   2 -27.003  31.575  -2.834
   18   3HG2  VAL   2          3HG2      VAL   2 -27.710  29.955  -2.625
   19    H    ALA   3           H        ALA   3 -25.277  28.711  -4.673
   20    HA   ALA   3           HA       ALA   3 -26.637  26.324  -4.215
   21   1HB   ALA   3          1HB       ALA   3 -26.762  25.538  -6.341
   22   2HB   ALA   3          2HB       ALA   3 -25.549  26.693  -6.943
   23   3HB   ALA   3          3HB       ALA   3 -25.028  25.194  -6.138
   24    H    ALA   4           H        ALA   4 -25.455  25.223  -2.701
   25    HA   ALA   4           HA       ALA   4 -23.220  26.290  -1.572
   26   1HB   ALA   4          1HB       ALA   4 -23.791  23.311  -1.665
   27   2HB   ALA   4          2HB       ALA   4 -24.811  24.446  -0.748
   28   3HB   ALA   4          3HB       ALA   4 -23.089  24.262  -0.335
   29    H    ALA   5           H        ALA   5 -23.304  23.457  -3.858
   30    HA   ALA   5           HA       ALA   5 -20.877  24.404  -5.082
   31   1HB   ALA   5          1HB       ALA   5 -20.965  22.056  -3.203
   32   2HB   ALA   5          2HB       ALA   5 -19.913  21.975  -4.636
   33   3HB   ALA   5          3HB       ALA   5 -19.689  23.274  -3.440
   34    H    MET   6           H        MET   6 -22.904  21.412  -4.642
   35    HA   MET   6           HA       MET   6 -23.677  21.641  -7.398
   36   1HB   MET   6          1HB       MET   6 -21.705  19.662  -6.350
   37   2HB   MET   6          2HB       MET   6 -23.017  18.920  -7.244
   38   1HG   MET   6          1HG       MET   6 -21.779  21.353  -8.495
   39   2HG   MET   6          2HG       MET   6 -20.776  19.917  -8.441
   40   1HE   MET   6          1HE       MET   6 -20.490  19.843 -10.614
   41   2HE   MET   6          2HE       MET   6 -21.464  18.785 -11.662
   42   3HE   MET   6          3HE       MET   6 -21.692  20.549 -11.721
   43    H    LEU   7           H        LEU   7 -23.641  19.386  -4.540
   44    HA   LEU   7           HA       LEU   7 -26.540  19.450  -4.555
   45   1HB   LEU   7          1HB       LEU   7 -24.892  17.050  -5.219
   46   2HB   LEU   7          2HB       LEU   7 -26.341  16.835  -4.258
   47    HG   LEU   7           HG       LEU   7 -26.909  18.494  -6.565
   48   1HD1  LEU   7          1HD1      LEU   7 -25.306  16.015  -7.029
   49   2HD1  LEU   7          2HD1      LEU   7 -26.654  16.380  -8.132
   50   3HD1  LEU   7          3HD1      LEU   7 -25.331  17.552  -7.925
   51   1HD2  LEU   7          1HD2      LEU   7 -27.990  16.138  -5.157
   52   2HD2  LEU   7          2HD2      LEU   7 -28.818  17.558  -5.840
   53   3HD2  LEU   7          3HD2      LEU   7 -28.343  16.208  -6.900
   54    H    LEU   8           H        LEU   8 -23.806  17.558  -3.078
   55    HA   LEU   8           HA       LEU   8 -23.923  18.919  -0.642
   56   1HB   LEU   8          1HB       LEU   8 -24.995  17.274   0.779
   57   2HB   LEU   8          2HB       LEU   8 -26.113  17.954  -0.387
   58    HG   LEU   8           HG       LEU   8 -25.051  15.601  -1.569
   59   1HD1  LEU   8          1HD1      LEU   8 -25.779  15.245   1.343
   60   2HD1  LEU   8          2HD1      LEU   8 -25.851  13.923   0.153
   61   3HD1  LEU   8          3HD1      LEU   8 -24.301  14.728   0.496
   62   1HD2  LEU   8          1HD2      LEU   8 -27.411  16.840  -1.522
   63   2HD2  LEU   8          2HD2      LEU   8 -27.237  15.123  -1.961
   64   3HD2  LEU   8          3HD2      LEU   8 -27.753  15.574  -0.318
   65    H    ARG   9           H        ARG   9 -21.664  18.810  -1.359
   66    HA   ARG   9           HA       ARG   9 -20.478  16.418  -0.300
   67   1HB   ARG   9          1HB       ARG   9 -20.350  17.247  -3.181
   68   2HB   ARG   9          2HB       ARG   9 -18.827  16.750  -2.471
   69   1HG   ARG   9          1HG       ARG   9 -21.107  14.960  -1.803
   70   2HG   ARG   9          2HG       ARG   9 -20.734  15.025  -3.514
   71   1HD   ARG   9          1HD       ARG   9 -18.616  14.532  -1.368
   72   2HD   ARG   9          2HD       ARG   9 -19.470  13.237  -2.183
   73    HE   ARG   9           HE       ARG   9 -18.378  15.041  -4.142
   74   1HH1  ARG   9          1HH1      ARG   9 -16.520  14.445  -5.333
   75   2HH1  ARG   9          2HH1      ARG   9 -15.485  13.186  -4.748
   76   1HH2  ARG   9          1HH2      ARG   9 -17.392  12.557  -1.854
   77   2HH2  ARG   9          2HH2      ARG   9 -15.984  12.105  -2.755
   78    H    SER  10           H        SER  10 -20.750  19.216   0.586
   79    HA   SER  10           HA       SER  10 -18.079  20.249   0.147
   80   1HB   SER  10          1HB       SER  10 -20.436  21.563   0.097
   81   2HB   SER  10          2HB       SER  10 -20.110  21.712   1.812
   82    HG   SER  10           HG       SER  10 -19.219  23.369   0.095
   83    H    CYS  11           H        CYS  11 -18.530  17.822   1.762
   84    HA   CYS  11           HA       CYS  11 -18.110  18.814   4.468
   85   1HB   CYS  11          1HB       CYS  11 -19.550  16.624   3.458
   86   2HB   CYS  11          2HB       CYS  11 -18.128  15.916   4.198
   87    HG   CYS  11           HG       CYS  11 -19.809  18.369   5.620
   88    HA   PRO  12           HA       PRO  12 -13.860  17.922   4.107
   89   1HB   PRO  12          1HB       PRO  12 -13.150  17.600   6.726
   90   2HB   PRO  12          2HB       PRO  12 -13.358  19.170   5.975
   91   1HG   PRO  12          1HG       PRO  12 -15.150  17.766   7.861
   92   2HG   PRO  12          2HG       PRO  12 -15.116  19.466   7.438
   93   1HD   PRO  12          1HD       PRO  12 -16.996  17.505   6.517
   94   2HD   PRO  12          2HD       PRO  12 -16.891  19.178   6.005
   95    H    VAL  13           H        VAL  13 -12.333  16.318   3.812
   96    HA   VAL  13           HA       VAL  13 -13.492  13.687   4.248
   97    HB   VAL  13           HB       VAL  13 -11.003  14.530   2.752
   98   1HG1  VAL  13          1HG1      VAL  13 -12.464  11.925   3.088
   99   2HG1  VAL  13          2HG1      VAL  13 -11.607  12.266   1.566
  100   3HG1  VAL  13          3HG1      VAL  13 -10.716  12.260   3.107
  101   1HG2  VAL  13          1HG2      VAL  13 -13.516  15.281   2.060
  102   2HG2  VAL  13          2HG2      VAL  13 -12.218  14.951   0.887
  103   3HG2  VAL  13          3HG2      VAL  13 -13.424  13.695   1.256
  104    H    LEU  14           H        LEU  14 -12.688  15.191   6.590
  105    HA   LEU  14           HA       LEU  14 -11.532  14.949   8.454
  106   1HB   LEU  14          1HB       LEU  14 -11.300  12.206   7.270
  107   2HB   LEU  14          2HB       LEU  14 -10.445  12.594   8.750
  108    HG   LEU  14           HG       LEU  14 -12.558  11.511   9.241
  109   1HD1  LEU  14          1HD1      LEU  14 -11.604  13.743  10.469
  110   2HD1  LEU  14          2HD1      LEU  14 -13.276  14.237  10.111
  111   3HD1  LEU  14          3HD1      LEU  14 -12.968  12.763  11.060
  112   1HD2  LEU  14          1HD2      LEU  14 -13.554  12.826   7.050
  113   2HD2  LEU  14          2HD2      LEU  14 -14.520  11.945   8.258
  114   3HD2  LEU  14          3HD2      LEU  14 -14.314  13.708   8.397
  115    H    SER  15           H        SER  15 -10.181  16.693   7.388
  116    HA   SER  15           HA       SER  15  -7.778  15.966   6.165
  117   1HB   SER  15          1HB       SER  15  -9.179  18.282   6.385
  118   2HB   SER  15          2HB       SER  15  -7.975  18.580   7.624
  119    HG   SER  15           HG       SER  15  -6.600  17.609   5.552
  120    H    GLN  16           H        GLN  16  -8.611  17.095   9.517
  121    HA   GLN  16           HA       GLN  16  -5.966  16.182  10.324
  122   1HB   GLN  16          1HB       GLN  16  -7.670  18.459  11.092
  123   2HB   GLN  16          2HB       GLN  16  -7.080  17.576  12.486
  124   1HG   GLN  16          1HG       GLN  16  -4.921  18.260  12.162
  125   2HG   GLN  16          2HG       GLN  16  -4.989  17.976  10.435
  126   1HE2  GLN  16          2HE2      GLN  16  -4.819  20.261  12.840
  127   2HE2  GLN  16          1HE2      GLN  16  -5.255  21.688  11.962
  128    H    GLY  17           H        GLY  17  -7.239  13.975   9.990
  129   1HA   GLY  17          1HA       GLY  17  -9.082  12.695  11.086
  130   2HA   GLY  17          2HA       GLY  17  -8.434  13.278  12.606
  131    HA   PRO  18           HA       PRO  18  -6.185   9.468  11.106
  132   1HB   PRO  18          1HB       PRO  18  -5.703   9.004   8.456
  133   2HB   PRO  18          2HB       PRO  18  -7.145   8.444   9.281
  134   1HG   PRO  18          1HG       PRO  18  -6.848  10.694   7.387
  135   2HG   PRO  18          2HG       PRO  18  -8.308   9.862   7.882
  136   1HD   PRO  18          1HD       PRO  18  -7.418  12.440   8.770
  137   2HD   PRO  18          2HD       PRO  18  -8.816  11.557   9.350
  138    H    THR  19           H        THR  19  -3.983   8.603  10.457
  139    HA   THR  19           HA       THR  19  -2.202  10.784   9.718
  140    HB   THR  19           HB       THR  19  -0.782  10.156  11.792
  141    HG1  THR  19           HG1      THR  19  -2.360   9.229  13.464
  142   1HG2  THR  19          1HG2      THR  19  -3.571  11.338  12.258
  143   2HG2  THR  19          2HG2      THR  19  -2.217  11.440  13.408
  144   3HG2  THR  19          3HG2      THR  19  -2.110  12.260  11.832
  145    H    GLY  20           H        GLY  20  -1.957   9.604   7.758
  146   1HA   GLY  20          1HA       GLY  20  -1.413   7.661   6.570
  147   2HA   GLY  20          2HA       GLY  20  -0.762   6.935   8.026
  148    H    LEU  21           H        LEU  21   1.020   8.734   9.059
  149    HA   LEU  21           HA       LEU  21   3.019   8.817   6.944
  150   1HB   LEU  21          1HB       LEU  21   2.506  11.001   6.694
  151   2HB   LEU  21          2HB       LEU  21   1.830  11.157   8.303
  152    HG   LEU  21           HG       LEU  21   3.920  11.538   9.295
  153   1HD1  LEU  21          1HD1      LEU  21   4.904   9.808   7.229
  154   2HD1  LEU  21          2HD1      LEU  21   5.873  11.300   7.262
  155   3HD1  LEU  21          3HD1      LEU  21   5.690  10.325   8.740
  156   1HD2  LEU  21          1HD2      LEU  21   3.005  13.201   7.335
  157   2HD2  LEU  21          2HD2      LEU  21   4.338  13.574   8.454
  158   3HD2  LEU  21          3HD2      LEU  21   4.691  12.945   6.827
  159    H    LEU  22           H        LEU  22   3.728   6.877   8.104
  160    HA   LEU  22           HA       LEU  22   5.754   7.447   9.924
  161   1HB   LEU  22          1HB       LEU  22   4.148   7.909  11.582
  162   2HB   LEU  22          2HB       LEU  22   3.159   6.532  11.138
  163    HG   LEU  22           HG       LEU  22   5.617   5.403  11.850
  164   1HD1  LEU  22          1HD1      LEU  22   6.274   7.601  12.792
  165   2HD1  LEU  22          2HD1      LEU  22   4.879   7.514  13.894
  166   3HD1  LEU  22          3HD1      LEU  22   6.183   6.308  14.012
  167   1HD2  LEU  22          1HD2      LEU  22   3.361   4.499  12.264
  168   2HD2  LEU  22          2HD2      LEU  22   4.389   4.462  13.716
  169   3HD2  LEU  22          3HD2      LEU  22   3.128   5.706  13.551
  170    H    GLY  23           H        GLY  23   3.247   4.919   9.196
  171   1HA   GLY  23          1HA       GLY  23   3.475   2.739   8.670
  172   2HA   GLY  23          2HA       GLY  23   5.095   2.769   9.336
  173    H    LYS  24           H        LYS  24   4.665   5.286   7.027
  174    HA   LYS  24           HA       LYS  24   5.339   3.631   4.755
  175   1HB   LYS  24          1HB       LYS  24   3.809   5.837   4.975
  176   2HB   LYS  24          2HB       LYS  24   5.334   6.605   4.581
  177   1HG   LYS  24          1HG       LYS  24   5.351   4.557   2.753
  178   2HG   LYS  24          2HG       LYS  24   3.623   4.808   2.909
  179   1HD   LYS  24          1HD       LYS  24   5.505   7.158   2.479
  180   2HD   LYS  24          2HD       LYS  24   4.932   6.208   1.123
  181   1HE   LYS  24          1HE       LYS  24   2.938   7.289   1.146
  182   2HE   LYS  24          2HE       LYS  24   2.664   6.829   2.814
  183    H    VAL  25           H        VAL  25   6.935   5.272   7.335
  184    HA   VAL  25           HA       VAL  25   9.400   5.425   5.751
  185    HB   VAL  25           HB       VAL  25   8.491   6.785   8.288
  186   1HG1  VAL  25          1HG1      VAL  25  10.904   6.012   8.384
  187   2HG1  VAL  25          2HG1      VAL  25  11.219   7.092   7.005
  188   3HG1  VAL  25          3HG1      VAL  25  10.647   7.765   8.550
  189   1HG2  VAL  25          1HG2      VAL  25   7.970   7.530   5.769
  190   2HG2  VAL  25          2HG2      VAL  25   8.295   8.704   7.066
  191   3HG2  VAL  25          3HG2      VAL  25   9.589   8.251   5.932
  192    H    ALA  26           H        ALA  26   7.679   3.746   8.300
  193    HA   ALA  26           HA       ALA  26  10.021   2.691   9.553
  194   1HB   ALA  26          1HB       ALA  26   8.417   1.371  10.827
  195   2HB   ALA  26          2HB       ALA  26   7.124   1.761   9.667
  196   3HB   ALA  26          3HB       ALA  26   7.818   3.042  10.689
  197    H    LYS  27           H        LYS  27   7.357   1.162   7.596
  198    HA   LYS  27           HA       LYS  27   8.573  -1.257   7.224
  199   1HB   LYS  27          1HB       LYS  27   6.309   0.155   6.209
  200   2HB   LYS  27          2HB       LYS  27   7.144  -0.556   4.843
  201   1HG   LYS  27          1HG       LYS  27   6.602  -2.181   7.357
  202   2HG   LYS  27          2HG       LYS  27   5.376  -2.010   6.116
  203   1HD   LYS  27          1HD       LYS  27   8.080  -2.748   5.095
  204   2HD   LYS  27          2HD       LYS  27   7.333  -3.957   6.121
  205   1HE   LYS  27          1HE       LYS  27   5.437  -2.812   4.160
  206   2HE   LYS  27          2HE       LYS  27   6.817  -3.573   3.393
  207    H    THR  28           H        THR  28   8.777   1.667   5.080
  208    HA   THR  28           HA       THR  28  10.381   0.713   3.122
  209    HB   THR  28           HB       THR  28  10.341   3.404   4.576
  210    HG1  THR  28           HG1      THR  28   8.414   2.708   3.420
  211   1HG2  THR  28          1HG2      THR  28  11.579   2.640   1.878
  212   2HG2  THR  28          2HG2      THR  28  11.303   4.308   2.434
  213   3HG2  THR  28          3HG2      THR  28  12.465   3.265   3.289
  214    H    TYR  29           H        TYR  29  11.636   2.183   6.197
  215    HA   TYR  29           HA       TYR  29  14.297   1.538   5.658
  216   1HB   TYR  29          1HB       TYR  29  12.989   3.065   7.439
  217   2HB   TYR  29          2HB       TYR  29  12.955   1.608   8.411
  218    HD1  TYR  29           HD1      TYR  29  15.273   3.978   6.701
  219    HD2  TYR  29           HD2      TYR  29  14.821   0.982   9.722
  220    HE1  TYR  29           HE1      TYR  29  17.600   4.504   7.582
  221    HE2  TYR  29           HE2      TYR  29  17.149   1.518  10.592
  222    HH   TYR  29           HH       TYR  29  19.359   3.317   8.833
  223    H    GLN  30           H        GLN  30  11.693  -0.242   7.414
  224    HA   GLN  30           HA       GLN  30  13.194  -2.185   8.546
  225   1HB   GLN  30          1HB       GLN  30  10.652  -1.762   8.672
  226   2HB   GLN  30          2HB       GLN  30  10.512  -2.723   7.213
  227   1HG   GLN  30          1HG       GLN  30  10.208  -4.350   8.879
  228   2HG   GLN  30          2HG       GLN  30  11.918  -4.519   8.532
  229   1HE2  GLN  30          2HE2      GLN  30  12.081  -5.450  10.633
  230   2HE2  GLN  30          1HE2      GLN  30  12.212  -4.459  12.048
  231    H    PHE  31           H        PHE  31  12.626  -1.589   5.149
  232    HA   PHE  31           HA       PHE  31  13.673  -4.252   4.507
  233   1HB   PHE  31          1HB       PHE  31  11.407  -3.022   3.621
  234   2HB   PHE  31          2HB       PHE  31  12.531  -2.254   2.517
  235    HD1  PHE  31           HD1      PHE  31  12.663  -3.226   0.443
  236    HD2  PHE  31           HD2      PHE  31  11.917  -5.718   3.796
  237    HE1  PHE  31           HE1      PHE  31  12.545  -5.225  -1.069
  238    HE2  PHE  31           HE2      PHE  31  11.799  -7.718   2.283
  239    HZ   PHE  31           HZ       PHE  31  12.114  -7.447  -0.131
  240    H    LEU  32           H        LEU  32  14.005  -0.711   3.909
  241    HA   LEU  32           HA       LEU  32  16.061  -0.861   2.052
  242   1HB   LEU  32          1HB       LEU  32  14.703   1.126   3.613
  243   2HB   LEU  32          2HB       LEU  32  16.426   1.439   3.661
  244    HG   LEU  32           HG       LEU  32  15.340   2.670   1.857
  245   1HD1  LEU  32          1HD1      LEU  32  17.172   0.475   0.852
  246   2HD1  LEU  32          2HD1      LEU  32  16.807   1.995   0.000
  247   3HD1  LEU  32          3HD1      LEU  32  17.665   2.032   1.559
  248   1HD2  LEU  32          1HD2      LEU  32  14.311  -0.039   1.109
  249   2HD2  LEU  32          2HD2      LEU  32  13.482   1.536   1.139
  250   3HD2  LEU  32          3HD2      LEU  32  14.622   1.156  -0.174
  251    H    PHE  33           H        PHE  33  16.058  -1.045   5.631
  252    HA   PHE  33           HA       PHE  33  18.663  -0.649   6.210
  253   1HB   PHE  33          1HB       PHE  33  16.589  -1.362   7.647
  254   2HB   PHE  33          2HB       PHE  33  16.960  -3.012   7.189
  255    HD1  PHE  33           HD1      PHE  33  17.903  -0.206   9.288
  256    HD2  PHE  33           HD2      PHE  33  19.033  -4.087   7.995
  257    HE1  PHE  33           HE1      PHE  33  19.510  -0.378  11.209
  258    HE2  PHE  33           HE2      PHE  33  20.641  -4.259   9.916
  259    HZ   PHE  33           HZ       PHE  33  20.860  -2.402  11.499
  260    H    SER  34           H        SER  34  17.175  -3.720   4.985
  261    HA   SER  34           HA       SER  34  19.827  -4.449   4.074
  262   1HB   SER  34          1HB       SER  34  18.167  -5.912   6.077
  263   2HB   SER  34          2HB       SER  34  18.862  -6.911   4.815
  264    HG   SER  34           HG       SER  34  20.104  -5.641   6.964
  265    H    ILE  35           H        ILE  35  18.924  -3.777   1.977
  266    HA   ILE  35           HA       ILE  35  16.557  -4.728   0.923
  267    HB   ILE  35           HB       ILE  35  19.144  -3.900  -0.387
  268   1HG1  ILE  35          1HG1      ILE  35  17.738  -2.292   1.080
  269   2HG1  ILE  35          2HG1      ILE  35  18.286  -1.755  -0.495
  270   1HG2  ILE  35          1HG2      ILE  35  16.524  -4.744  -1.584
  271   2HG2  ILE  35          2HG2      ILE  35  17.504  -3.485  -2.373
  272   3HG2  ILE  35          3HG2      ILE  35  18.186  -5.107  -2.105
  273   1HD1  ILE  35          1HD1      ILE  35  15.565  -3.064  -0.126
  274   2HD1  ILE  35          2HD1      ILE  35  15.809  -1.314   0.089
  275   3HD1  ILE  35          3HD1      ILE  35  16.132  -2.070  -1.489
  276    H    GLY  36           H        GLY  36  19.454  -5.824  -0.802
  277   1HA   GLY  36          1HA       GLY  36  19.330  -8.540   0.039
  278   2HA   GLY  36          2HA       GLY  36  20.209  -7.884  -1.328
  279    H    ARG  37           H        ARG  37  19.112  -7.598  -3.407
  280    HA   ARG  37           HA       ARG  37  17.712  -9.674  -4.246
  281   1HB   ARG  37          1HB       ARG  37  15.930  -7.878  -2.732
  282   2HB   ARG  37          2HB       ARG  37  15.365  -8.103  -4.376
  283   1HG   ARG  37          1HG       ARG  37  16.275 -10.610  -3.056
  284   2HG   ARG  37          2HG       ARG  37  14.894  -9.858  -2.282
  285   1HD   ARG  37          1HD       ARG  37  13.726  -9.763  -4.518
  286   2HD   ARG  37          2HD       ARG  37  15.092 -10.585  -5.246
  287    HE   ARG  37           HE       ARG  37  13.961 -11.993  -2.928
  288   1HH1  ARG  37          1HH1      ARG  37  12.982 -14.023  -3.305
  289   2HH1  ARG  37          2HH1      ARG  37  12.598 -14.511  -4.922
  290   1HH2  ARG  37          1HH2      ARG  37  13.818 -11.565  -6.418
  291   2HH2  ARG  37          2HH2      ARG  37  13.076 -13.104  -6.704
  292    H    CYS  38           H        CYS  38  18.187  -6.162  -4.287
  293    HA   CYS  38           HA       CYS  38  18.074  -6.271  -7.211
  294   1HB   CYS  38          1HB       CYS  38  16.918  -4.196  -5.356
  295   2HB   CYS  38          2HB       CYS  38  17.446  -3.744  -6.965
  296    HG   CYS  38           HG       CYS  38  14.779  -4.930  -6.034
  297    HA   PRO  39           HA       PRO  39  22.095  -4.636  -6.841
  298   1HB   PRO  39          1HB       PRO  39  22.446  -3.475  -9.290
  299   2HB   PRO  39          2HB       PRO  39  22.613  -5.198  -9.013
  300   1HG   PRO  39          1HG       PRO  39  20.399  -3.736 -10.318
  301   2HG   PRO  39          2HG       PRO  39  20.790  -5.442 -10.405
  302   1HD   PRO  39          1HD       PRO  39  18.693  -4.239  -8.861
  303   2HD   PRO  39          2HD       PRO  39  19.159  -5.929  -8.859
  304    H    ILE  40           H        ILE  40  23.065  -3.011  -5.784
  305    HA   ILE  40           HA       ILE  40  21.537  -0.526  -5.826
  306    HB   ILE  40           HB       ILE  40  22.178  -1.833  -3.710
  307   1HG1  ILE  40          1HG1      ILE  40  21.168   0.381  -3.680
  308   2HG1  ILE  40          2HG1      ILE  40  22.386   0.237  -2.428
  309   1HG2  ILE  40          1HG2      ILE  40  24.754  -1.505  -4.757
  310   2HG2  ILE  40          2HG2      ILE  40  24.658  -0.376  -3.384
  311   3HG2  ILE  40          3HG2      ILE  40  24.308  -2.104  -3.142
  312   1HD1  ILE  40          1HD1      ILE  40  23.961   1.199  -4.421
  313   2HD1  ILE  40          2HD1      ILE  40  22.402   1.904  -4.914
  314   3HD1  ILE  40          3HD1      ILE  40  23.069   2.258  -3.302
  315    H    LEU  41           H        LEU  41  24.539  -2.016  -6.899
  316    HA   LEU  41           HA       LEU  41  25.128   0.125  -8.588
  317   1HB   LEU  41          1HB       LEU  41  25.698   1.253  -6.474
  318   2HB   LEU  41          2HB       LEU  41  26.865  -0.005  -6.118
  319    HG   LEU  41           HG       LEU  41  27.966   0.665  -8.372
  320   1HD1  LEU  41          1HD1      LEU  41  25.769   2.352  -8.518
  321   2HD1  LEU  41          2HD1      LEU  41  27.102   3.428  -8.037
  322   3HD1  LEU  41          3HD1      LEU  41  27.245   2.438  -9.509
  323   1HD2  LEU  41          1HD2      LEU  41  28.731   1.090  -5.943
  324   2HD2  LEU  41          2HD2      LEU  41  29.456   2.057  -7.250
  325   3HD2  LEU  41          3HD2      LEU  41  28.185   2.761  -6.222
  326    H    ALA  42           H        ALA  42  24.774  -2.367  -9.311
  327    HA   ALA  42           HA       ALA  42  27.315  -3.151 -10.280
  328   1HB   ALA  42          1HB       ALA  42  27.856  -4.942  -8.972
  329   2HB   ALA  42          2HB       ALA  42  26.155  -5.368  -8.667
  330   3HB   ALA  42          3HB       ALA  42  26.923  -4.054  -7.743
  331    H    THR  43           H        THR  43  25.845  -2.612 -12.124
  332    HA   THR  43           HA       THR  43  24.241  -4.980 -12.808
  333    HB   THR  43           HB       THR  43  22.609  -3.364 -13.866
  334    HG1  THR  43           HG1      THR  43  24.103  -1.579 -14.087
  335   1HG2  THR  43          1HG2      THR  43  22.424  -4.103 -11.355
  336   2HG2  THR  43          2HG2      THR  43  23.073  -2.488 -10.984
  337   3HG2  THR  43          3HG2      THR  43  21.527  -2.648 -11.852
  338    H    GLN  44           H        GLN  44  26.036  -2.073 -13.972
  339    HA   GLN  44           HA       GLN  44  27.320  -3.663 -15.906
  340   1HB   GLN  44          1HB       GLN  44  25.186  -3.406 -17.104
  341   2HB   GLN  44          2HB       GLN  44  25.235  -1.667 -16.892
  342   1HG   GLN  44          1HG       GLN  44  26.118  -1.836 -19.042
  343   2HG   GLN  44          2HG       GLN  44  27.598  -1.872 -18.104
  344   1HE2  GLN  44          2HE2      GLN  44  28.585  -2.951 -19.850
  345   2HE2  GLN  44          1HE2      GLN  44  28.381  -4.651 -20.112
  346    H    GLY  45           H        GLY  45  26.270  -0.329 -14.961
  347   1HA   GLY  45          1HA       GLY  45  27.644   1.566 -15.665
  348   2HA   GLY  45          2HA       GLY  45  29.057   0.562 -15.409
  349    HA   PRO  46           HA       PRO  46  28.364   0.981 -10.990
  350   1HB   PRO  46          1HB       PRO  46  30.883   0.277 -10.197
  351   2HB   PRO  46          2HB       PRO  46  29.567  -0.872 -10.343
  352   1HG   PRO  46          1HG       PRO  46  31.880  -0.466 -12.138
  353   2HG   PRO  46          2HG       PRO  46  30.810  -1.849 -12.023
  354   1HD   PRO  46          1HD       PRO  46  30.777   0.182 -14.048
  355   2HD   PRO  46          2HD       PRO  46  29.636  -1.135 -13.866
  356    H    THR  47           H        THR  47  31.308   1.974 -12.661
  357    HA   THR  47           HA       THR  47  31.476   4.299 -10.938
  358    HB   THR  47           HB       THR  47  33.157   3.151 -13.222
  359    HG1  THR  47           HG1      THR  47  33.645   2.053 -11.334
  360   1HG2  THR  47          1HG2      THR  47  33.427   5.708 -11.595
  361   2HG2  THR  47          2HG2      THR  47  34.878   4.825 -12.126
  362   3HG2  THR  47          3HG2      THR  47  33.733   5.462 -13.331
  363    H    CYS  48           H        CYS  48  31.178   3.703 -14.507
  364    HA   CYS  48           HA       CYS  48  30.097   4.832 -16.055
  365   1HB   CYS  48          1HB       CYS  48  28.424   5.178 -13.895
  366   2HB   CYS  48          2HB       CYS  48  28.739   6.836 -14.369
  367    HG   CYS  48           HG       CYS  48  27.997   6.719 -16.777
  368    H    SER  49           H        SER  49  30.573   6.710 -17.348
  369    HA   SER  49           HA       SER  49  32.755   8.232 -16.278
  370   1HB   SER  49          1HB       SER  49  32.870   9.130 -18.651
  371   2HB   SER  49          2HB       SER  49  33.070   7.395 -18.509
  372    HG   SER  49           HG       SER  49  31.506   8.343 -20.202

  No H/Q in entry =         372
  Start of MODEL   22
    1    H    MET   1           H        MET   1 -17.631  49.599  19.776
    2    HA   MET   1           HA       MET   1 -15.582  49.723  21.415
    3   1HB   MET   1          1HB       MET   1 -16.509  47.620  19.443
    4   2HB   MET   1          2HB       MET   1 -15.021  47.300  20.312
    5   1HG   MET   1          1HG       MET   1 -17.682  48.013  21.640
    6   2HG   MET   1          2HG       MET   1 -17.056  46.384  21.482
    7   1HE   MET   1          1HE       MET   1 -17.738  46.469  23.748
    8   2HE   MET   1          2HE       MET   1 -16.287  45.942  24.634
    9   3HE   MET   1          3HE       MET   1 -17.078  47.480  25.055
   10    H    VAL   2           H        VAL   2 -13.258  48.684  21.106
   11    HA   VAL   2           HA       VAL   2 -12.095  49.712  18.619
   12    HB   VAL   2           HB       VAL   2 -11.875  51.284  20.588
   13   1HG1  VAL   2          1HG1      VAL   2 -11.473  49.372  22.233
   14   2HG1  VAL   2          2HG1      VAL   2  -9.812  49.313  21.597
   15   3HG1  VAL   2          3HG1      VAL   2 -10.412  50.793  22.383
   16   1HG2  VAL   2          1HG2      VAL   2 -10.332  51.061  18.512
   17   2HG2  VAL   2          2HG2      VAL   2  -9.759  52.003  19.909
   18   3HG2  VAL   2          3HG2      VAL   2  -9.166  50.345  19.652
   19    H    ALA   3           H        ALA   3 -10.025  48.672  18.050
   20    HA   ALA   3           HA       ALA   3  -8.546  46.989  18.031
   21   1HB   ALA   3          1HB       ALA   3  -8.182  45.622  19.878
   22   2HB   ALA   3          2HB       ALA   3  -9.000  47.010  20.633
   23   3HB   ALA   3          3HB       ALA   3  -9.913  45.524  20.279
   24    H    ALA   4           H        ALA   4  -9.144  46.198  16.033
   25    HA   ALA   4           HA       ALA   4 -11.502  45.142  15.269
   26   1HB   ALA   4          1HB       ALA   4 -10.100  43.819  13.609
   27   2HB   ALA   4          2HB       ALA   4  -9.746  45.561  13.688
   28   3HB   ALA   4          3HB       ALA   4  -8.662  44.396  14.485
   29    H    ALA   5           H        ALA   5  -8.681  43.093  16.317
   30    HA   ALA   5           HA       ALA   5  -8.595  41.121  17.314
   31   1HB   ALA   5          1HB       ALA   5 -10.177  42.593  18.900
   32   2HB   ALA   5          2HB       ALA   5  -9.851  40.875  19.231
   33   3HB   ALA   5          3HB       ALA   5 -11.367  41.355  18.431
   34    H    MET   6           H        MET   6  -8.549  39.886  15.393
   35    HA   MET   6           HA       MET   6 -10.606  38.051  15.144
   36   1HB   MET   6          1HB       MET   6 -11.081  40.518  13.750
   37   2HB   MET   6          2HB       MET   6 -10.626  39.357  12.518
   38   1HG   MET   6          1HG       MET   6 -12.503  38.189  14.469
   39   2HG   MET   6          2HG       MET   6 -13.169  39.620  13.707
   40   1HE   MET   6          1HE       MET   6 -14.812  38.943  12.656
   41   2HE   MET   6          2HE       MET   6 -14.696  38.560  10.921
   42   3HE   MET   6          3HE       MET   6 -15.041  37.269  12.096
   43    H    LEU   7           H        LEU   7  -8.678  36.731  15.294
   44    HA   LEU   7           HA       LEU   7  -6.525  36.984  13.535
   45   1HB   LEU   7          1HB       LEU   7  -7.496  35.096  15.549
   46   2HB   LEU   7          2HB       LEU   7  -6.599  34.326  14.255
   47    HG   LEU   7           HG       LEU   7  -5.443  36.748  15.605
   48   1HD1  LEU   7          1HD1      LEU   7  -5.464  33.939  16.733
   49   2HD1  LEU   7          2HD1      LEU   7  -4.313  35.204  17.228
   50   3HD1  LEU   7          3HD1      LEU   7  -6.057  35.433  17.498
   51   1HD2  LEU   7          1HD2      LEU   7  -4.428  35.732  13.546
   52   2HD2  LEU   7          2HD2      LEU   7  -3.345  35.822  14.956
   53   3HD2  LEU   7          3HD2      LEU   7  -4.095  34.271  14.507
   54    H    LEU   8           H        LEU   8  -9.646  35.224  13.332
   55    HA   LEU   8           HA       LEU   8 -10.746  34.647  11.463
   56   1HB   LEU   8          1HB       LEU   8  -8.898  36.278  10.357
   57   2HB   LEU   8          2HB       LEU   8  -8.430  34.756   9.625
   58    HG   LEU   8           HG       LEU   8 -11.328  35.440   9.540
   59   1HD1  LEU   8          1HD1      LEU   8  -9.277  37.253   8.551
   60   2HD1  LEU   8          2HD1      LEU   8 -10.341  36.668   7.250
   61   3HD1  LEU   8          3HD1      LEU   8 -11.040  37.471   8.677
   62   1HD2  LEU   8          1HD2      LEU   8  -9.488  33.660   8.227
   63   2HD2  LEU   8          2HD2      LEU   8 -11.266  33.703   8.163
   64   3HD2  LEU   8          3HD2      LEU   8 -10.310  34.680   7.022
   65    H    ARG   9           H        ARG   9 -11.199  32.560  11.995
   66    HA   ARG   9           HA       ARG   9  -9.461  30.593  10.897
   67   1HB   ARG   9          1HB       ARG   9  -9.684  29.363  13.304
   68   2HB   ARG   9          2HB       ARG   9  -8.315  30.380  12.901
   69   1HG   ARG   9          1HG       ARG   9 -10.660  31.874  13.960
   70   2HG   ARG   9          2HG       ARG   9  -9.966  30.738  15.100
   71   1HD   ARG   9          1HD       ARG   9  -7.759  32.074  13.850
   72   2HD   ARG   9          2HD       ARG   9  -8.927  33.317  14.249
   73    HE   ARG   9           HE       ARG   9  -7.341  31.783  16.129
   74   1HH1  ARG   9          1HH1      ARG   9  -7.634  32.128  18.369
   75   2HH1  ARG   9          2HH1      ARG   9  -9.063  32.920  18.943
   76   1HH2  ARG   9          1HH2      ARG   9 -10.459  33.369  15.740
   77   2HH2  ARG   9          2HH2      ARG   9 -10.681  33.631  17.438
   78    H    SER  10           H        SER  10 -12.290  31.380  13.009
   79    HA   SER  10           HA       SER  10 -14.319  30.618  13.091
   80   1HB   SER  10          1HB       SER  10 -13.791  30.755  10.385
   81   2HB   SER  10          2HB       SER  10 -14.297  29.085  10.541
   82    HG   SER  10           HG       SER  10 -15.892  31.174  10.350
   83    H    CYS  11           H        CYS  11 -12.468  29.101  14.475
   84    HA   CYS  11           HA       CYS  11 -12.120  27.150  15.416
   85   1HB   CYS  11          1HB       CYS  11 -14.712  26.082  14.296
   86   2HB   CYS  11          2HB       CYS  11 -13.941  25.714  15.827
   87    HG   CYS  11           HG       CYS  11 -15.947  27.079  16.519
   88    HA   PRO  12           HA       PRO  12 -10.524  25.263  11.684
   89   1HB   PRO  12          1HB       PRO  12  -8.020  24.736  12.644
   90   2HB   PRO  12          2HB       PRO  12  -8.439  26.230  11.829
   91   1HG   PRO  12          1HG       PRO  12  -8.001  25.752  14.713
   92   2HG   PRO  12          2HG       PRO  12  -7.998  27.271  13.840
   93   1HD   PRO  12          1HD       PRO  12 -10.097  26.257  15.511
   94   2HD   PRO  12          2HD       PRO  12 -10.139  27.719  14.546
   95    H    VAL  13           H        VAL  13  -9.495  23.098  11.152
   96    HA   VAL  13           HA       VAL  13  -9.792  21.169  13.251
   97    HB   VAL  13           HB       VAL  13 -11.736  21.264  10.939
   98   1HG1  VAL  13          1HG1      VAL  13 -10.820  19.004  12.654
   99   2HG1  VAL  13          2HG1      VAL  13 -12.567  19.125  12.333
  100   3HG1  VAL  13          3HG1      VAL  13 -11.419  19.006  10.978
  101   1HG2  VAL  13          1HG2      VAL  13 -12.071  21.423  13.948
  102   2HG2  VAL  13          2HG2      VAL  13 -12.497  22.649  12.730
  103   3HG2  VAL  13          3HG2      VAL  13 -13.418  21.129  12.822
  104    H    LEU  14           H        LEU  14  -9.498  21.861   9.716
  105    HA   LEU  14           HA       LEU  14  -7.777  21.301   8.378
  106   1HB   LEU  14          1HB       LEU  14  -6.602  20.755  10.720
  107   2HB   LEU  14          2HB       LEU  14  -6.745  19.118  10.110
  108    HG   LEU  14           HG       LEU  14  -5.609  19.992   7.971
  109   1HD1  LEU  14          1HD1      LEU  14  -5.972  22.412   8.611
  110   2HD1  LEU  14          2HD1      LEU  14  -4.666  22.205   9.802
  111   3HD1  LEU  14          3HD1      LEU  14  -4.332  21.983   8.067
  112   1HD2  LEU  14          1HD2      LEU  14  -4.568  18.508   9.666
  113   2HD2  LEU  14          2HD2      LEU  14  -3.409  19.600   8.871
  114   3HD2  LEU  14          3HD2      LEU  14  -3.975  19.952  10.522
  115    H    SER  15           H        SER  15  -9.491  18.697  10.183
  116    HA   SER  15           HA       SER  15 -10.539  16.916   9.521
  117   1HB   SER  15          1HB       SER  15 -11.746  18.662   8.104
  118   2HB   SER  15          2HB       SER  15 -10.726  18.191   6.759
  119    HG   SER  15           HG       SER  15 -11.942  16.460   6.435
  120    H    GLN  16           H        GLN  16  -9.155  15.161   9.557
  121    HA   GLN  16           HA       GLN  16  -7.477  13.854   8.989
  122   1HB   GLN  16          1HB       GLN  16  -9.600  13.721   7.062
  123   2HB   GLN  16          2HB       GLN  16  -8.099  13.473   6.192
  124   1HG   GLN  16          1HG       GLN  16  -8.581  11.289   6.890
  125   2HG   GLN  16          2HG       GLN  16  -7.507  11.822   8.168
  126   1HE2  GLN  16          2HE2      GLN  16  -8.150  11.592  10.169
  127   2HE2  GLN  16          1HE2      GLN  16  -9.774  11.380  10.730
  128    H    GLY  17           H        GLY  17  -5.753  15.467   9.212
  129   1HA   GLY  17          1HA       GLY  17  -4.204  16.965   8.416
  130   2HA   GLY  17          2HA       GLY  17  -4.861  16.819   6.798
  131    HA   PRO  18           HA       PRO  18  -1.178  13.995   7.489
  132   1HB   PRO  18          1HB       PRO  18  -0.889  12.519   9.771
  133   2HB   PRO  18          2HB       PRO  18  -0.210  14.122   9.575
  134   1HG   PRO  18          1HG       PRO  18  -2.576  13.291  11.140
  135   2HG   PRO  18          2HG       PRO  18  -1.642  14.768  11.263
  136   1HD   PRO  18          1HD       PRO  18  -4.209  14.459  10.021
  137   2HD   PRO  18          2HD       PRO  18  -3.223  15.908  10.044
  138    H    THR  19           H        THR  19  -1.223  12.474   5.972
  139    HA   THR  19           HA       THR  19  -3.392  10.584   6.094
  140    HB   THR  19           HB       THR  19  -1.112  11.227   4.172
  141    HG1  THR  19           HG1      THR  19  -3.115  12.536   4.327
  142   1HG2  THR  19          1HG2      THR  19  -3.233   9.025   4.001
  143   2HG2  THR  19          2HG2      THR  19  -2.339   9.646   2.593
  144   3HG2  THR  19          3HG2      THR  19  -1.469   8.812   3.902
  145    H    GLY  20           H        GLY  20   0.218  10.227   5.907
  146   1HA   GLY  20          1HA       GLY  20   0.267   7.507   6.471
  147   2HA   GLY  20          2HA       GLY  20   0.297   8.337   8.014
  148    H    LEU  21           H        LEU  21   1.954  10.194   8.227
  149    HA   LEU  21           HA       LEU  21   4.276   9.760   6.514
  150   1HB   LEU  21          1HB       LEU  21   5.091  11.846   7.400
  151   2HB   LEU  21          2HB       LEU  21   3.477  12.034   6.745
  152    HG   LEU  21           HG       LEU  21   3.796  11.554   9.689
  153   1HD1  LEU  21          1HD1      LEU  21   5.448  13.303   9.131
  154   2HD1  LEU  21          2HD1      LEU  21   4.150  14.268   8.388
  155   3HD1  LEU  21          3HD1      LEU  21   4.108  13.914  10.131
  156   1HD2  LEU  21          1HD2      LEU  21   1.715  12.483   7.836
  157   2HD2  LEU  21          2HD2      LEU  21   1.579  11.715   9.436
  158   3HD2  LEU  21          3HD2      LEU  21   1.870  13.467   9.311
  159    H    LEU  22           H        LEU  22   4.021   7.509   7.855
  160    HA   LEU  22           HA       LEU  22   6.283   7.515   9.562
  161   1HB   LEU  22          1HB       LEU  22   4.826   8.350  11.230
  162   2HB   LEU  22          2HB       LEU  22   3.552   7.228  10.797
  163    HG   LEU  22           HG       LEU  22   6.144   6.068  11.719
  164   1HD1  LEU  22          1HD1      LEU  22   4.984   8.107  13.220
  165   2HD1  LEU  22          2HD1      LEU  22   4.398   6.606  13.977
  166   3HD1  LEU  22          3HD1      LEU  22   6.146   6.883  13.787
  167   1HD2  LEU  22          1HD2      LEU  22   3.380   5.240  11.379
  168   2HD2  LEU  22          2HD2      LEU  22   4.856   4.262  11.564
  169   3HD2  LEU  22          3HD2      LEU  22   3.993   4.852  13.004
  170    H    GLY  23           H        GLY  23   3.204   5.687   8.923
  171   1HA   GLY  23          1HA       GLY  23   2.897   3.667   7.965
  172   2HA   GLY  23          2HA       GLY  23   4.097   3.135   9.125
  173    H    LYS  24           H        LYS  24   4.911   5.527   6.615
  174    HA   LYS  24           HA       LYS  24   5.851   3.612   4.740
  175   1HB   LYS  24          1HB       LYS  24   5.576   6.514   4.945
  176   2HB   LYS  24          2HB       LYS  24   7.077   6.049   4.170
  177   1HG   LYS  24          1HG       LYS  24   5.749   5.917   2.296
  178   2HG   LYS  24          2HG       LYS  24   5.405   4.311   2.909
  179   1HD   LYS  24          1HD       LYS  24   3.213   4.886   2.996
  180   2HD   LYS  24          2HD       LYS  24   3.604   5.982   4.306
  181   1HE   LYS  24          1HE       LYS  24   4.224   7.037   1.585
  182   2HE   LYS  24          2HE       LYS  24   2.520   6.762   1.888
  183    H    VAL  25           H        VAL  25   7.356   5.670   7.295
  184    HA   VAL  25           HA       VAL  25   9.974   4.695   6.689
  185    HB   VAL  25           HB       VAL  25   8.855   6.266   9.019
  186   1HG1  VAL  25          1HG1      VAL  25  11.441   5.026   8.640
  187   2HG1  VAL  25          2HG1      VAL  25  11.605   6.798   8.699
  188   3HG1  VAL  25          3HG1      VAL  25  10.812   5.932  10.037
  189   1HG2  VAL  25          1HG2      VAL  25  10.102   7.055   6.385
  190   2HG2  VAL  25          2HG2      VAL  25   8.585   7.619   7.124
  191   3HG2  VAL  25          3HG2      VAL  25  10.149   8.139   7.796
  192    H    ALA  26           H        ALA  26   7.208   3.492   8.367
  193    HA   ALA  26           HA       ALA  26   8.871   1.766  10.045
  194   1HB   ALA  26          1HB       ALA  26   7.134   1.758  11.509
  195   2HB   ALA  26          2HB       ALA  26   5.918   1.603  10.219
  196   3HB   ALA  26          3HB       ALA  26   6.600   3.200  10.612
  197    H    LYS  27           H        LYS  27   9.318   1.126   7.470
  198    HA   LYS  27           HA       LYS  27   8.634  -1.505   7.274
  199   1HB   LYS  27          1HB       LYS  27   6.363   0.067   6.662
  200   2HB   LYS  27          2HB       LYS  27   6.957  -0.538   5.129
  201   1HG   LYS  27          1HG       LYS  27   6.625  -2.778   5.713
  202   2HG   LYS  27          2HG       LYS  27   6.855  -2.483   7.425
  203   1HD   LYS  27          1HD       LYS  27   4.645  -1.339   7.542
  204   2HD   LYS  27          2HD       LYS  27   4.417  -1.577   5.821
  205   1HE   LYS  27          1HE       LYS  27   5.077  -4.084   7.257
  206   2HE   LYS  27          2HE       LYS  27   3.597  -3.340   7.826
  207    H    THR  28           H        THR  28   8.777   1.446   5.160
  208    HA   THR  28           HA       THR  28  10.211   0.235   3.098
  209    HB   THR  28           HB       THR  28  10.079   3.133   4.088
  210    HG1  THR  28           HG1      THR  28   8.746   1.556   1.999
  211   1HG2  THR  28          1HG2      THR  28  11.664   1.979   1.975
  212   2HG2  THR  28          2HG2      THR  28  10.281   2.804   1.216
  213   3HG2  THR  28          3HG2      THR  28  11.372   3.705   2.296
  214    H    TYR  29           H        TYR  29  11.395   2.066   5.987
  215    HA   TYR  29           HA       TYR  29  14.111   1.747   5.283
  216   1HB   TYR  29          1HB       TYR  29  12.783   3.356   6.934
  217   2HB   TYR  29          2HB       TYR  29  12.858   2.026   8.073
  218    HD1  TYR  29           HD1      TYR  29  15.330   3.616   5.723
  219    HD2  TYR  29           HD2      TYR  29  14.444   2.375   9.721
  220    HE1  TYR  29           HE1      TYR  29  17.631   4.388   6.481
  221    HE2  TYR  29           HE2      TYR  29  16.747   3.151  10.465
  222    HH   TYR  29           HH       TYR  29  18.606   5.192   8.735
  223    H    GLN  30           H        GLN  30  11.826  -0.103   7.373
  224    HA   GLN  30           HA       GLN  30  13.661  -1.718   8.587
  225   1HB   GLN  30          1HB       GLN  30  11.090  -1.495   8.930
  226   2HB   GLN  30          2HB       GLN  30  10.937  -2.706   7.673
  227   1HG   GLN  30          1HG       GLN  30  10.938  -3.837   9.836
  228   2HG   GLN  30          2HG       GLN  30  12.422  -4.245   8.998
  229   1HE2  GLN  30          2HE2      GLN  30  13.067  -4.797  11.210
  230   2HE2  GLN  30          1HE2      GLN  30  13.770  -3.578  12.221
  231    H    PHE  31           H        PHE  31  12.762  -1.551   5.239
  232    HA   PHE  31           HA       PHE  31  13.913  -4.209   4.777
  233   1HB   PHE  31          1HB       PHE  31  11.507  -3.343   3.991
  234   2HB   PHE  31          2HB       PHE  31  12.406  -2.427   2.797
  235    HD1  PHE  31           HD1      PHE  31  13.331  -3.485   0.874
  236    HD2  PHE  31           HD2      PHE  31  11.594  -5.834   3.951
  237    HE1  PHE  31           HE1      PHE  31  13.380  -5.493  -0.631
  238    HE2  PHE  31           HE2      PHE  31  11.642  -7.842   2.446
  239    HZ   PHE  31           HZ       PHE  31  12.535  -7.648   0.173
  240    H    LEU  32           H        LEU  32  13.994  -0.732   3.842
  241    HA   LEU  32           HA       LEU  32  15.877  -0.956   1.813
  242   1HB   LEU  32          1HB       LEU  32  14.628   1.125   3.406
  243   2HB   LEU  32          2HB       LEU  32  16.303   1.503   3.058
  244    HG   LEU  32           HG       LEU  32  14.591   2.394   1.431
  245   1HD1  LEU  32          1HD1      LEU  32  16.969   2.280   0.887
  246   2HD1  LEU  32          2HD1      LEU  32  16.767   0.609   0.307
  247   3HD1  LEU  32          3HD1      LEU  32  15.965   1.950  -0.546
  248   1HD2  LEU  32          1HD2      LEU  32  14.036  -0.487   1.185
  249   2HD2  LEU  32          2HD2      LEU  32  13.007   0.924   0.835
  250   3HD2  LEU  32          3HD2      LEU  32  14.204   0.375  -0.363
  251    H    PHE  33           H        PHE  33  16.206  -0.790   5.379
  252    HA   PHE  33           HA       PHE  33  18.908  -0.292   5.529
  253   1HB   PHE  33          1HB       PHE  33  16.868  -0.699   7.265
  254   2HB   PHE  33          2HB       PHE  33  17.486  -2.339   7.286
  255    HD1  PHE  33           HD1      PHE  33  18.528   1.188   7.830
  256    HD2  PHE  33           HD2      PHE  33  19.276  -2.903   8.676
  257    HE1  PHE  33           HE1      PHE  33  20.240   1.854   9.541
  258    HE2  PHE  33           HE2      PHE  33  20.987  -2.236  10.386
  259    HZ   PHE  33           HZ       PHE  33  21.449   0.134  10.798
  260    H    SER  34           H        SER  34  17.273  -3.545   5.660
  261    HA   SER  34           HA       SER  34  19.843  -4.696   4.977
  262   1HB   SER  34          1HB       SER  34  18.003  -5.439   6.868
  263   2HB   SER  34          2HB       SER  34  17.504  -6.466   5.539
  264    HG   SER  34           HG       SER  34  19.062  -7.630   6.664
  265    H    ILE  35           H        ILE  35  19.445  -3.686   2.722
  266    HA   ILE  35           HA       ILE  35  17.456  -4.264   1.021
  267    HB   ILE  35           HB       ILE  35  20.428  -4.197   0.514
  268   1HG1  ILE  35          1HG1      ILE  35  19.376  -2.166   1.501
  269   2HG1  ILE  35          2HG1      ILE  35  20.095  -1.905  -0.075
  270   1HG2  ILE  35          1HG2      ILE  35  19.123  -5.421  -1.272
  271   2HG2  ILE  35          2HG2      ILE  35  18.266  -3.891  -1.577
  272   3HG2  ILE  35          3HG2      ILE  35  20.028  -3.986  -1.811
  273   1HD1  ILE  35          1HD1      ILE  35  17.275  -2.745  -0.270
  274   2HD1  ILE  35          2HD1      ILE  35  17.485  -1.239   0.654
  275   3HD1  ILE  35          3HD1      ILE  35  18.097  -1.352  -1.013
  276    H    GLY  36           H        GLY  36  19.848  -6.522   2.344
  277   1HA   GLY  36          1HA       GLY  36  18.370  -8.713   1.055
  278   2HA   GLY  36          2HA       GLY  36  19.348  -8.814   2.506
  279    H    ARG  37           H        ARG  37  21.687  -8.867   2.352
  280    HA   ARG  37           HA       ARG  37  22.536  -9.577  -0.339
  281   1HB   ARG  37          1HB       ARG  37  24.864  -8.669   0.506
  282   2HB   ARG  37          2HB       ARG  37  23.657  -7.521  -0.038
  283   1HG   ARG  37          1HG       ARG  37  23.215  -6.738   2.109
  284   2HG   ARG  37          2HG       ARG  37  23.556  -8.283   2.864
  285   1HD   ARG  37          1HD       ARG  37  25.670  -7.612   3.348
  286   2HD   ARG  37          2HD       ARG  37  26.003  -7.355   1.646
  287    HE   ARG  37           HE       ARG  37  25.548  -5.048   1.901
  288   1HH1  ARG  37          1HH1      ARG  37  25.270  -3.158   3.155
  289   2HH1  ARG  37          2HH1      ARG  37  24.800  -3.284   4.817
  290   1HH2  ARG  37          1HH2      ARG  37  24.662  -6.804   4.819
  291   2HH2  ARG  37          2HH2      ARG  37  24.452  -5.371   5.770
  292    H    CYS  38           H        CYS  38  21.548 -11.195   2.016
  293    HA   CYS  38           HA       CYS  38  23.832 -12.382   3.207
  294   1HB   CYS  38          1HB       CYS  38  21.102 -12.338   3.750
  295   2HB   CYS  38          2HB       CYS  38  21.388 -13.996   3.259
  296    HG   CYS  38           HG       CYS  38  21.669 -14.204   5.724
  297    HA   PRO  39           HA       PRO  39  22.807 -15.700  -0.039
  298   1HB   PRO  39          1HB       PRO  39  20.907 -15.222  -1.944
  299   2HB   PRO  39          2HB       PRO  39  20.576 -16.089  -0.458
  300   1HG   PRO  39          1HG       PRO  39  19.843 -13.320  -1.191
  301   2HG   PRO  39          2HG       PRO  39  19.177 -14.334   0.074
  302   1HD   PRO  39          1HD       PRO  39  21.031 -12.170   0.406
  303   2HD   PRO  39          2HD       PRO  39  20.454 -13.258   1.654
  304    H    ILE  40           H        ILE  40  22.368 -12.496  -1.418
  305    HA   ILE  40           HA       ILE  40  23.485 -12.807  -3.835
  306    HB   ILE  40           HB       ILE  40  22.652 -10.725  -2.461
  307   1HG1  ILE  40          1HG1      ILE  40  23.932  -9.285  -4.224
  308   2HG1  ILE  40          2HG1      ILE  40  24.502 -10.826  -4.834
  309   1HG2  ILE  40          1HG2      ILE  40  24.576 -10.689  -0.927
  310   2HG2  ILE  40          2HG2      ILE  40  25.661 -10.395  -2.307
  311   3HG2  ILE  40          3HG2      ILE  40  24.434  -9.184  -1.866
  312   1HD1  ILE  40          1HD1      ILE  40  22.133 -11.618  -5.030
  313   2HD1  ILE  40          2HD1      ILE  40  21.578 -10.024  -4.464
  314   3HD1  ILE  40          3HD1      ILE  40  22.444 -10.167  -6.013
  315    H    LEU  41           H        LEU  41  25.177 -12.799  -0.676
  316    HA   LEU  41           HA       LEU  41  27.551 -13.739  -2.116
  317   1HB   LEU  41          1HB       LEU  41  28.990 -12.445  -0.731
  318   2HB   LEU  41          2HB       LEU  41  27.837 -11.380  -1.511
  319    HG   LEU  41           HG       LEU  41  26.712 -12.088   0.998
  320   1HD1  LEU  41          1HD1      LEU  41  29.047 -12.779   1.595
  321   2HD1  LEU  41          2HD1      LEU  41  29.549 -11.091   1.341
  322   3HD1  LEU  41          3HD1      LEU  41  28.366 -11.486   2.610
  323   1HD2  LEU  41          1HD2      LEU  41  26.591  -9.954  -0.446
  324   2HD2  LEU  41          2HD2      LEU  41  26.576  -9.787   1.326
  325   3HD2  LEU  41          3HD2      LEU  41  28.071  -9.465   0.414
  326    H    ALA  42           H        ALA  42  26.308 -15.804  -1.552
  327    HA   ALA  42           HA       ALA  42  26.114 -16.525   1.182
  328   1HB   ALA  42          1HB       ALA  42  25.383 -17.557  -1.402
  329   2HB   ALA  42          2HB       ALA  42  26.252 -18.826  -0.505
  330   3HB   ALA  42          3HB       ALA  42  24.807 -18.065   0.204
  331    H    THR  43           H        THR  43  28.263 -17.792  -1.471
  332    HA   THR  43           HA       THR  43  30.573 -17.602   0.191
  333    HB   THR  43           HB       THR  43  29.515 -19.581   1.244
  334    HG1  THR  43           HG1      THR  43  31.356 -20.986   0.716
  335   1HG2  THR  43          1HG2      THR  43  28.143 -20.337  -0.747
  336   2HG2  THR  43          2HG2      THR  43  29.655 -20.811  -1.558
  337   3HG2  THR  43          3HG2      THR  43  29.146 -21.641  -0.068
  338    H    GLN  44           H        GLN  44  29.025 -19.213  -2.649
  339    HA   GLN  44           HA       GLN  44  30.803 -17.939  -4.382
  340   1HB   GLN  44          1HB       GLN  44  32.285 -19.771  -3.329
  341   2HB   GLN  44          2HB       GLN  44  31.287 -20.936  -4.176
  342   1HG   GLN  44          1HG       GLN  44  32.835 -20.635  -5.851
  343   2HG   GLN  44          2HG       GLN  44  31.824 -19.261  -6.253
  344   1HE2  GLN  44          2HE2      GLN  44  32.403 -17.173  -5.559
  345   2HE2  GLN  44          1HE2      GLN  44  34.038 -16.754  -5.169
  346    H    GLY  45           H        GLY  45  28.637 -17.442  -5.195
  347   1HA   GLY  45          1HA       GLY  45  26.533 -18.829  -5.835
  348   2HA   GLY  45          2HA       GLY  45  27.649 -19.559  -6.971
  349    HA   PRO  46           HA       PRO  46  27.093 -16.180  -9.631
  350   1HB   PRO  46          1HB       PRO  46  25.094 -17.052 -11.277
  351   2HB   PRO  46          2HB       PRO  46  26.764 -17.553 -11.450
  352   1HG   PRO  46          1HG       PRO  46  24.476 -19.077 -10.363
  353   2HG   PRO  46          2HG       PRO  46  26.022 -19.675 -10.934
  354   1HD   PRO  46          1HD       PRO  46  25.201 -19.372  -8.202
  355   2HD   PRO  46          2HD       PRO  46  26.785 -19.859  -8.773
  356    H    THR  47           H        THR  47  25.555 -14.524 -10.591
  357    HA   THR  47           HA       THR  47  24.016 -13.564  -8.383
  358    HB   THR  47           HB       THR  47  24.336 -12.623 -11.283
  359    HG1  THR  47           HG1      THR  47  25.476 -11.804  -8.705
  360   1HG2  THR  47          1HG2      THR  47  23.223 -11.296  -8.763
  361   2HG2  THR  47          2HG2      THR  47  23.826 -10.361 -10.152
  362   3HG2  THR  47          3HG2      THR  47  22.427 -11.445 -10.348
  363    H    CYS  48           H        CYS  48  22.498 -15.252  -7.963
  364    HA   CYS  48           HA       CYS  48  20.425 -15.406 -10.028
  365   1HB   CYS  48          1HB       CYS  48  21.662 -17.457  -8.316
  366   2HB   CYS  48          2HB       CYS  48  19.910 -17.497  -8.297
  367    HG   CYS  48           HG       CYS  48  19.739 -17.249 -11.002
  368    H    SER  49           H        SER  49  18.284 -14.889  -9.398
  369    HA   SER  49           HA       SER  49  16.677 -14.025  -8.224
  370   1HB   SER  49          1HB       SER  49  16.995 -15.961  -6.707
  371   2HB   SER  49          2HB       SER  49  18.196 -15.070  -5.793
  372    HG   SER  49           HG       SER  49  15.441 -14.234  -6.118

  No H/Q in entry =         372
  Start of MODEL   23
    1    H    MET   1           H        MET   1 -28.424  -9.082  24.521
    2    HA   MET   1           HA       MET   1 -28.989  -8.154  22.522
    3   1HB   MET   1          1HB       MET   1 -27.829  -5.627  23.794
    4   2HB   MET   1          2HB       MET   1 -28.135  -5.701  22.070
    5   1HG   MET   1          1HG       MET   1 -30.549  -6.421  22.662
    6   2HG   MET   1          2HG       MET   1 -30.175  -5.994  24.320
    7   1HE   MET   1          1HE       MET   1 -30.429  -4.239  25.278
    8   2HE   MET   1          2HE       MET   1 -29.521  -2.788  24.788
    9   3HE   MET   1          3HE       MET   1 -31.295  -2.820  24.642
   10    H    VAL   2           H        VAL   2 -26.089  -8.535  24.240
   11    HA   VAL   2           HA       VAL   2 -23.943  -8.765  23.677
   12    HB   VAL   2           HB       VAL   2 -25.079 -10.805  22.847
   13   1HG1  VAL   2          1HG1      VAL   2 -25.211  -9.184  20.312
   14   2HG1  VAL   2          2HG1      VAL   2 -25.103 -10.959  20.240
   15   3HG1  VAL   2          3HG1      VAL   2 -26.464 -10.184  21.085
   16   1HG2  VAL   2          1HG2      VAL   2 -22.486  -9.761  21.904
   17   2HG2  VAL   2          2HG2      VAL   2 -22.883 -11.295  22.715
   18   3HG2  VAL   2          3HG2      VAL   2 -23.121 -11.130  20.959
   19    H    ALA   3           H        ALA   3 -25.144  -6.197  22.899
   20    HA   ALA   3           HA       ALA   3 -23.077  -5.386  21.090
   21   1HB   ALA   3          1HB       ALA   3 -25.172  -6.293  19.741
   22   2HB   ALA   3          2HB       ALA   3 -24.349  -4.797  19.239
   23   3HB   ALA   3          3HB       ALA   3 -25.862  -4.710  20.172
   24    H    ALA   4           H        ALA   4 -24.973  -2.978  20.462
   25    HA   ALA   4           HA       ALA   4 -25.651  -1.830  22.937
   26   1HB   ALA   4          1HB       ALA   4 -22.881  -1.834  22.429
   27   2HB   ALA   4          2HB       ALA   4 -23.428  -0.193  22.009
   28   3HB   ALA   4          3HB       ALA   4 -23.748  -0.850  23.632
   29    H    ALA   5           H        ALA   5 -24.150  -0.895  19.754
   30    HA   ALA   5           HA       ALA   5 -26.604   0.026  18.723
   31   1HB   ALA   5          1HB       ALA   5 -25.105   1.873  20.403
   32   2HB   ALA   5          2HB       ALA   5 -26.701   2.077  19.642
   33   3HB   ALA   5          3HB       ALA   5 -25.224   2.480  18.734
   34    H    MET   6           H        MET   6 -25.020  -1.787  17.621
   35    HA   MET   6           HA       MET   6 -23.551  -2.291  16.057
   36   1HB   MET   6          1HB       MET   6 -25.426  -0.190  15.002
   37   2HB   MET   6          2HB       MET   6 -24.054  -0.547  13.972
   38   1HG   MET   6          1HG       MET   6 -25.255  -2.321  13.197
   39   2HG   MET   6          2HG       MET   6 -24.924  -3.097  14.733
   40   1HE   MET   6          1HE       MET   6 -26.509  -4.423  15.083
   41   2HE   MET   6          2HE       MET   6 -28.104  -4.031  15.770
   42   3HE   MET   6          3HE       MET   6 -27.929  -4.295  14.018
   43    H    LEU   7           H        LEU   7 -21.943  -1.126  17.777
   44    HA   LEU   7           HA       LEU   7 -19.982   0.111  16.183
   45   1HB   LEU   7          1HB       LEU   7 -21.866   1.866  17.571
   46   2HB   LEU   7          2HB       LEU   7 -20.196   2.172  18.005
   47    HG   LEU   7           HG       LEU   7 -20.431   1.891  15.135
   48   1HD1  LEU   7          1HD1      LEU   7 -22.529   3.492  16.491
   49   2HD1  LEU   7          2HD1      LEU   7 -21.701   4.261  15.115
   50   3HD1  LEU   7          3HD1      LEU   7 -22.528   2.700  14.897
   51   1HD2  LEU   7          1HD2      LEU   7 -19.260   3.712  17.137
   52   2HD2  LEU   7          2HD2      LEU   7 -18.592   3.087  15.610
   53   3HD2  LEU   7          3HD2      LEU   7 -19.707   4.475  15.593
   54    H    LEU   8           H        LEU   8 -19.018  -1.847  17.095
   55    HA   LEU   8           HA       LEU   8 -18.663  -1.920  19.948
   56   1HB   LEU   8          1HB       LEU   8 -17.920  -3.661  17.629
   57   2HB   LEU   8          2HB       LEU   8 -17.106  -3.876  19.166
   58    HG   LEU   8           HG       LEU   8 -19.464  -4.071  20.191
   59   1HD1  LEU   8          1HD1      LEU   8 -20.103  -4.249  17.251
   60   2HD1  LEU   8          2HD1      LEU   8 -21.105  -5.058  18.479
   61   3HD1  LEU   8          3HD1      LEU   8 -20.901  -3.290  18.521
   62   1HD2  LEU   8          1HD2      LEU   8 -18.314  -6.188  18.358
   63   2HD2  LEU   8          2HD2      LEU   8 -18.001  -5.960  20.096
   64   3HD2  LEU   8          3HD2      LEU   8 -19.610  -6.483  19.542
   65    H    ARG   9           H        ARG   9 -16.308  -1.954  17.177
   66    HA   ARG   9           HA       ARG   9 -14.957   0.281  18.074
   67   1HB   ARG   9          1HB       ARG   9 -12.863  -0.779  18.949
   68   2HB   ARG   9          2HB       ARG   9 -14.241  -1.117  19.978
   69   1HG   ARG   9          1HG       ARG   9 -14.345  -3.370  19.354
   70   2HG   ARG   9          2HG       ARG   9 -13.658  -3.078  17.768
   71   1HD   ARG   9          1HD       ARG   9 -11.903  -4.176  18.934
   72   2HD   ARG   9          2HD       ARG   9 -11.448  -2.486  19.019
   73    HE   ARG   9           HE       ARG   9 -11.818  -2.515  21.335
   74   1HH1  ARG   9          1HH1      ARG   9 -12.302  -3.496  23.342
   75   2HH1  ARG   9          2HH1      ARG   9 -13.092  -5.037  23.383
   76   1HH2  ARG   9          1HH2      ARG   9 -13.292  -5.360  19.881
   77   2HH2  ARG   9          2HH2      ARG   9 -13.659  -6.105  21.402
   78    H    SER  10           H        SER  10 -15.915  -0.637  15.598
   79    HA   SER  10           HA       SER  10 -13.614  -1.717  14.227
   80   1HB   SER  10          1HB       SER  10 -16.278  -2.243  13.945
   81   2HB   SER  10          2HB       SER  10 -16.098  -1.002  12.721
   82    HG   SER  10           HG       SER  10 -15.584  -2.828  11.605
   83    H    CYS  11           H        CYS  11 -13.295   0.916  15.315
   84    HA   CYS  11           HA       CYS  11 -12.938   2.370  12.828
   85   1HB   CYS  11          1HB       CYS  11 -13.716   4.492  14.039
   86   2HB   CYS  11          2HB       CYS  11 -14.951   3.394  13.455
   87    HG   CYS  11           HG       CYS  11 -13.638   2.924  16.421
   88    HA   PRO  12           HA       PRO  12  -9.442   2.375  15.781
   89   1HB   PRO  12          1HB       PRO  12  -7.581   1.146  14.203
   90   2HB   PRO  12          2HB       PRO  12  -8.554   0.288  15.381
   91   1HG   PRO  12          1HG       PRO  12  -8.816   0.326  12.437
   92   2HG   PRO  12          2HG       PRO  12  -9.477  -0.823  13.583
   93   1HD   PRO  12          1HD       PRO  12 -10.898   1.280  12.247
   94   2HD   PRO  12          2HD       PRO  12 -11.530   0.206  13.479
   95    H    VAL  13           H        VAL  13  -8.638   2.584  12.342
   96    HA   VAL  13           HA       VAL  13  -8.431   5.369  12.367
   97    HB   VAL  13           HB       VAL  13  -6.585   5.110  13.855
   98   1HG1  VAL  13          1HG1      VAL  13  -6.208   2.637  12.713
   99   2HG1  VAL  13          2HG1      VAL  13  -4.821   3.557  12.082
  100   3HG1  VAL  13          3HG1      VAL  13  -5.082   3.435  13.838
  101   1HG2  VAL  13          1HG2      VAL  13  -6.405   6.344  11.351
  102   2HG2  VAL  13          2HG2      VAL  13  -5.388   6.661  12.777
  103   3HG2  VAL  13          3HG2      VAL  13  -4.855   5.491  11.546
  104    H    LEU  14           H        LEU  14  -7.249   2.217  11.105
  105    HA   LEU  14           HA       LEU  14  -7.540   1.417   9.022
  106   1HB   LEU  14          1HB       LEU  14  -9.185   3.544   8.848
  107   2HB   LEU  14          2HB       LEU  14  -7.956   4.036   7.701
  108    HG   LEU  14           HG       LEU  14  -9.807   2.900   6.594
  109   1HD1  LEU  14          1HD1      LEU  14  -7.212   2.569   6.037
  110   2HD1  LEU  14          2HD1      LEU  14  -7.650   0.869   6.330
  111   3HD1  LEU  14          3HD1      LEU  14  -8.511   1.808   5.087
  112   1HD2  LEU  14          1HD2      LEU  14  -9.980   1.315   8.792
  113   2HD2  LEU  14          2HD2      LEU  14 -10.738   0.953   7.223
  114   3HD2  LEU  14          3HD2      LEU  14  -9.175   0.216   7.648
  115    H    SER  15           H        SER  15  -5.845   4.574   9.419
  116    HA   SER  15           HA       SER  15  -3.925   5.295   8.684
  117   1HB   SER  15          1HB       SER  15  -3.305   3.377  10.308
  118   2HB   SER  15          2HB       SER  15  -2.920   2.431   8.884
  119    HG   SER  15           HG       SER  15  -1.172   3.828  10.031
  120    H    GLN  16           H        GLN  16  -5.597   4.968   6.542
  121    HA   GLN  16           HA       GLN  16  -3.754   4.554   4.459
  122   1HB   GLN  16          1HB       GLN  16  -4.942   2.196   5.249
  123   2HB   GLN  16          2HB       GLN  16  -6.066   2.733   4.016
  124   1HG   GLN  16          1HG       GLN  16  -4.425   2.698   2.307
  125   2HG   GLN  16          2HG       GLN  16  -3.094   2.820   3.441
  126   1HE2  GLN  16          2HE2      GLN  16  -4.536   0.826   1.355
  127   2HE2  GLN  16          1HE2      GLN  16  -4.189  -0.729   2.035
  128    H    GLY  17           H        GLY  17  -5.084   6.824   5.190
  129   1HA   GLY  17          1HA       GLY  17  -7.048   8.080   4.748
  130   2HA   GLY  17          2HA       GLY  17  -7.434   7.006   3.419
  131    HA   PRO  18           HA       PRO  18  -4.862  10.641   2.016
  132   1HB   PRO  18          1HB       PRO  18  -2.919  11.750   3.586
  133   2HB   PRO  18          2HB       PRO  18  -4.588  12.285   3.604
  134   1HG   PRO  18          1HG       PRO  18  -3.145  10.648   5.598
  135   2HG   PRO  18          2HG       PRO  18  -4.644  11.537   5.785
  136   1HD   PRO  18          1HD       PRO  18  -4.361   8.702   5.452
  137   2HD   PRO  18          2HD       PRO  18  -5.861   9.605   5.523
  138    H    THR  19           H        THR  19  -2.275   9.276   4.008
  139    HA   THR  19           HA       THR  19  -1.242   7.841   1.756
  140    HB   THR  19           HB       THR  19  -0.035  10.481   2.666
  141    HG1  THR  19           HG1      THR  19  -0.467  10.822   0.504
  142   1HG2  THR  19          1HG2      THR  19   1.717   8.553   2.738
  143   2HG2  THR  19          2HG2      THR  19   1.424   8.388   0.990
  144   3HG2  THR  19          3HG2      THR  19   2.071   9.912   1.644
  145    H    GLY  20           H        GLY  20  -0.069   9.365   4.838
  146   1HA   GLY  20          1HA       GLY  20   0.511   6.624   5.783
  147   2HA   GLY  20          2HA       GLY  20   0.064   7.977   6.803
  148    H    LEU  21           H        LEU  21   1.641   9.392   7.569
  149    HA   LEU  21           HA       LEU  21   4.290   9.191   6.358
  150   1HB   LEU  21          1HB       LEU  21   4.731  11.223   7.769
  151   2HB   LEU  21          2HB       LEU  21   3.591  11.409   6.450
  152    HG   LEU  21           HG       LEU  21   3.053  12.512   8.708
  153   1HD1  LEU  21          1HD1      LEU  21   1.439  11.456   6.656
  154   2HD1  LEU  21          2HD1      LEU  21   0.611  11.079   8.186
  155   3HD1  LEU  21          3HD1      LEU  21   1.045  12.761   7.801
  156   1HD2  LEU  21          1HD2      LEU  21   2.312   9.652   9.381
  157   2HD2  LEU  21          2HD2      LEU  21   3.554  10.651  10.173
  158   3HD2  LEU  21          3HD2      LEU  21   1.835  11.089  10.316
  159    H    LEU  22           H        LEU  22   3.409   6.902   7.765
  160    HA   LEU  22           HA       LEU  22   5.274   7.014  10.014
  161   1HB   LEU  22          1HB       LEU  22   3.055   7.271  10.954
  162   2HB   LEU  22          2HB       LEU  22   2.484   5.859  10.088
  163    HG   LEU  22           HG       LEU  22   4.802   5.219  11.729
  164   1HD1  LEU  22          1HD1      LEU  22   2.660   6.865  12.944
  165   2HD1  LEU  22          2HD1      LEU  22   3.131   5.399  13.838
  166   3HD1  LEU  22          3HD1      LEU  22   4.355   6.627  13.434
  167   1HD2  LEU  22          1HD2      LEU  22   2.625   3.912  10.686
  168   2HD2  LEU  22          2HD2      LEU  22   3.737   3.262  11.914
  169   3HD2  LEU  22          3HD2      LEU  22   2.210   4.027  12.413
  170    H    GLY  23           H        GLY  23   3.093   4.675   8.277
  171   1HA   GLY  23          1HA       GLY  23   3.531   2.694   7.314
  172   2HA   GLY  23          2HA       GLY  23   4.820   2.494   8.485
  173    H    LYS  24           H        LYS  24   4.922   5.345   6.412
  174    HA   LYS  24           HA       LYS  24   6.414   4.118   4.323
  175   1HB   LYS  24          1HB       LYS  24   5.877   7.007   5.059
  176   2HB   LYS  24          2HB       LYS  24   6.788   6.522   3.644
  177   1HG   LYS  24          1HG       LYS  24   4.109   5.214   4.068
  178   2HG   LYS  24          2HG       LYS  24   4.110   6.898   3.580
  179   1HD   LYS  24          1HD       LYS  24   5.911   6.011   1.783
  180   2HD   LYS  24          2HD       LYS  24   5.104   4.482   2.072
  181   1HE   LYS  24          1HE       LYS  24   3.564   7.029   1.404
  182   2HE   LYS  24          2HE       LYS  24   4.160   5.946   0.162
  183    H    VAL  25           H        VAL  25   7.112   5.331   7.525
  184    HA   VAL  25           HA       VAL  25   9.975   5.330   6.868
  185    HB   VAL  25           HB       VAL  25   8.363   6.708   9.014
  186   1HG1  VAL  25          1HG1      VAL  25  11.116   5.782   9.131
  187   2HG1  VAL  25          2HG1      VAL  25  11.022   7.555   9.248
  188   3HG1  VAL  25          3HG1      VAL  25  10.114   6.538  10.393
  189   1HG2  VAL  25          1HG2      VAL  25   8.486   7.773   6.767
  190   2HG2  VAL  25          2HG2      VAL  25   9.244   8.748   8.048
  191   3HG2  VAL  25          3HG2      VAL  25  10.259   7.819   6.919
  192    H    ALA  26           H        ALA  26   7.355   3.907   8.793
  193    HA   ALA  26           HA       ALA  26   9.332   2.219  10.152
  194   1HB   ALA  26          1HB       ALA  26   8.055   2.593  11.960
  195   2HB   ALA  26          2HB       ALA  26   6.678   1.821  11.138
  196   3HB   ALA  26          3HB       ALA  26   6.937   3.575  10.983
  197    H    LYS  27           H        LYS  27   9.295   1.498   7.602
  198    HA   LYS  27           HA       LYS  27   8.350  -1.106   7.632
  199   1HB   LYS  27          1HB       LYS  27   6.182   0.474   7.325
  200   2HB   LYS  27          2HB       LYS  27   6.661   0.328   5.646
  201   1HG   LYS  27          1HG       LYS  27   6.080  -1.885   5.540
  202   2HG   LYS  27          2HG       LYS  27   6.790  -2.247   7.101
  203   1HD   LYS  27          1HD       LYS  27   4.810  -1.258   8.248
  204   2HD   LYS  27          2HD       LYS  27   4.104  -0.846   6.698
  205   1HE   LYS  27          1HE       LYS  27   4.879  -3.685   6.812
  206   2HE   LYS  27          2HE       LYS  27   3.766  -3.270   8.100
  207    H    THR  28           H        THR  28   9.073   1.823   5.668
  208    HA   THR  28           HA       THR  28  10.171   0.279   3.517
  209    HB   THR  28           HB       THR  28  10.191   3.251   4.256
  210    HG1  THR  28           HG1      THR  28   8.764   1.438   2.445
  211   1HG2  THR  28          1HG2      THR  28  12.059   2.528   2.628
  212   2HG2  THR  28          2HG2      THR  28  10.765   1.964   1.543
  213   3HG2  THR  28          3HG2      THR  28  10.881   3.688   1.970
  214    H    TYR  29           H        TYR  29  11.444   1.996   6.398
  215    HA   TYR  29           HA       TYR  29  14.151   1.741   5.655
  216   1HB   TYR  29          1HB       TYR  29  13.428   3.336   7.362
  217   2HB   TYR  29          2HB       TYR  29  12.491   2.118   8.204
  218    HD1  TYR  29           HD1      TYR  29  13.509   0.652   9.833
  219    HD2  TYR  29           HD2      TYR  29  15.905   3.390   7.583
  220    HE1  TYR  29           HE1      TYR  29  15.462   0.249  11.410
  221    HE2  TYR  29           HE2      TYR  29  17.850   2.979   9.168
  222    HH   TYR  29           HH       TYR  29  18.287   0.580  10.896
  223    H    GLN  30           H        GLN  30  11.863  -0.335   7.501
  224    HA   GLN  30           HA       GLN  30  13.789  -2.060   8.498
  225   1HB   GLN  30          1HB       GLN  30  11.013  -1.775   8.673
  226   2HB   GLN  30          2HB       GLN  30  11.196  -3.324   7.874
  227   1HG   GLN  30          1HG       GLN  30  13.099  -3.599   9.816
  228   2HG   GLN  30          2HG       GLN  30  12.008  -2.504  10.641
  229   1HE2  GLN  30          2HE2      GLN  30   9.809  -3.088  10.926
  230   2HE2  GLN  30          1HE2      GLN  30   9.311  -4.746  10.980
  231    H    PHE  31           H        PHE  31  12.783  -1.489   5.276
  232    HA   PHE  31           HA       PHE  31  13.615  -4.182   4.469
  233   1HB   PHE  31          1HB       PHE  31  11.460  -2.386   3.777
  234   2HB   PHE  31          2HB       PHE  31  12.519  -2.425   2.382
  235    HD1  PHE  31           HD1      PHE  31  13.159  -4.759   1.469
  236    HD2  PHE  31           HD2      PHE  31   9.903  -4.088   4.106
  237    HE1  PHE  31           HE1      PHE  31  12.127  -6.930   0.746
  238    HE2  PHE  31           HE2      PHE  31   8.871  -6.259   3.383
  239    HZ   PHE  31           HZ       PHE  31   9.995  -7.654   1.712
  240    H    LEU  32           H        LEU  32  13.922  -0.659   3.659
  241    HA   LEU  32           HA       LEU  32  15.818  -0.923   1.675
  242   1HB   LEU  32          1HB       LEU  32  14.498   1.122   2.983
  243   2HB   LEU  32          2HB       LEU  32  16.176   1.412   3.395
  244    HG   LEU  32           HG       LEU  32  15.350   0.954   0.533
  245   1HD1  LEU  32          1HD1      LEU  32  15.184   3.541   2.093
  246   2HD1  LEU  32          2HD1      LEU  32  15.244   3.458   0.316
  247   3HD1  LEU  32          3HD1      LEU  32  13.889   2.711   1.197
  248   1HD2  LEU  32          1HD2      LEU  32  17.766   0.887   1.240
  249   2HD2  LEU  32          2HD2      LEU  32  17.368   2.081  -0.020
  250   3HD2  LEU  32          3HD2      LEU  32  17.615   2.610   1.662
  251    H    PHE  33           H        PHE  33  16.100  -1.173   5.207
  252    HA   PHE  33           HA       PHE  33  18.716  -0.703   5.647
  253   1HB   PHE  33          1HB       PHE  33  16.742  -1.608   7.142
  254   2HB   PHE  33          2HB       PHE  33  17.214  -3.206   6.598
  255    HD1  PHE  33           HD1      PHE  33  18.439  -4.382   8.139
  256    HD2  PHE  33           HD2      PHE  33  19.005  -0.184   7.891
  257    HE1  PHE  33           HE1      PHE  33  20.147  -4.504   9.975
  258    HE2  PHE  33           HE2      PHE  33  20.713  -0.306   9.727
  259    HZ   PHE  33           HZ       PHE  33  21.263  -2.465  10.746
  260    H    SER  34           H        SER  34  17.309  -3.325   3.736
  261    HA   SER  34           HA       SER  34  19.505  -5.043   3.887
  262   1HB   SER  34          1HB       SER  34  18.476  -6.153   1.922
  263   2HB   SER  34          2HB       SER  34  17.285  -5.805   3.159
  264    HG   SER  34           HG       SER  34  16.948  -3.713   1.844
  265    H    ILE  35           H        ILE  35  18.500  -3.888   0.663
  266    HA   ILE  35           HA       ILE  35  20.945  -3.814  -0.459
  267    HB   ILE  35           HB       ILE  35  19.991  -2.200  -2.072
  268   1HG1  ILE  35          1HG1      ILE  35  17.298  -2.076  -1.257
  269   2HG1  ILE  35          2HG1      ILE  35  18.229  -1.612   0.153
  270   1HG2  ILE  35          1HG2      ILE  35  19.519  -4.756  -1.929
  271   2HG2  ILE  35          2HG2      ILE  35  17.877  -4.246  -1.468
  272   3HG2  ILE  35          3HG2      ILE  35  18.560  -3.740  -3.032
  273   1HD1  ILE  35          1HD1      ILE  35  19.580  -0.229  -1.800
  274   2HD1  ILE  35          2HD1      ILE  35  17.927  -0.220  -2.459
  275   3HD1  ILE  35          3HD1      ILE  35  18.244   0.451  -0.842
  276    H    GLY  36           H        GLY  36  19.534  -1.465   1.795
  277   1HA   GLY  36          1HA       GLY  36  21.843  -0.418   2.741
  278   2HA   GLY  36          2HA       GLY  36  20.332   0.465   2.657
  279    H    ARG  37           H        ARG  37  19.908   1.914   0.870
  280    HA   ARG  37           HA       ARG  37  22.211   3.191  -0.021
  281   1HB   ARG  37          1HB       ARG  37  21.174   1.068  -1.759
  282   2HB   ARG  37          2HB       ARG  37  21.080   2.618  -2.573
  283   1HG   ARG  37          1HG       ARG  37  23.284   2.354  -3.066
  284   2HG   ARG  37          2HG       ARG  37  23.607   2.715  -1.382
  285   1HD   ARG  37          1HD       ARG  37  22.852  -0.033  -1.434
  286   2HD   ARG  37          2HD       ARG  37  23.919   0.183  -2.807
  287    HE   ARG  37           HE       ARG  37  24.664   0.323   0.005
  288   1HH1  ARG  37          1HH1      ARG  37  26.849   0.730   0.535
  289   2HH1  ARG  37          2HH1      ARG  37  27.927   1.367  -0.662
  290   1HH2  ARG  37          1HH2      ARG  37  25.494   1.498  -3.207
  291   2HH2  ARG  37          2HH2      ARG  37  27.151   1.806  -2.805
  292    H    CYS  38           H        CYS  38  21.161   5.084   0.715
  293    HA   CYS  38           HA       CYS  38  19.306   6.237  -1.075
  294   1HB   CYS  38          1HB       CYS  38  18.216   4.863   1.289
  295   2HB   CYS  38          2HB       CYS  38  17.726   6.542   1.171
  296    HG   CYS  38           HG       CYS  38  17.152   6.331  -1.481
  297    HA   PRO  39           HA       PRO  39  21.973   8.876   1.535
  298   1HB   PRO  39          1HB       PRO  39  23.492   9.984  -0.448
  299   2HB   PRO  39          2HB       PRO  39  23.996   8.582   0.474
  300   1HG   PRO  39          1HG       PRO  39  22.987   8.709  -2.302
  301   2HG   PRO  39          2HG       PRO  39  23.880   7.422  -1.516
  302   1HD   PRO  39          1HD       PRO  39  21.066   7.468  -2.071
  303   2HD   PRO  39          2HD       PRO  39  21.939   6.235  -1.183
  304    H    ILE  40           H        ILE  40  19.904   9.857   1.981
  305    HA   ILE  40           HA       ILE  40  19.246  11.953   0.072
  306    HB   ILE  40           HB       ILE  40  17.236  12.213   1.531
  307   1HG1  ILE  40          1HG1      ILE  40  18.017   9.603   2.822
  308   2HG1  ILE  40          2HG1      ILE  40  18.474  11.135   3.539
  309   1HG2  ILE  40          1HG2      ILE  40  17.568  10.654  -0.552
  310   2HG2  ILE  40          2HG2      ILE  40  17.382   9.354   0.649
  311   3HG2  ILE  40          3HG2      ILE  40  16.087  10.555   0.430
  312   1HD1  ILE  40          1HD1      ILE  40  15.669  11.209   2.736
  313   2HD1  ILE  40          2HD1      ILE  40  15.985   9.813   3.794
  314   3HD1  ILE  40          3HD1      ILE  40  16.383  11.458   4.348
  315    H    LEU  41           H        LEU  41  20.636  11.403   3.294
  316    HA   LEU  41           HA       LEU  41  20.365  13.993   4.283
  317   1HB   LEU  41          1HB       LEU  41  22.355  13.321   5.693
  318   2HB   LEU  41          2HB       LEU  41  20.904  12.346   5.817
  319    HG   LEU  41           HG       LEU  41  22.509  11.151   3.802
  320   1HD1  LEU  41          1HD1      LEU  41  24.210  12.629   5.373
  321   2HD1  LEU  41          2HD1      LEU  41  24.240  11.037   6.168
  322   3HD1  LEU  41          3HD1      LEU  41  24.651  11.178   4.442
  323   1HD2  LEU  41          1HD2      LEU  41  20.872  10.114   5.415
  324   2HD2  LEU  41          2HD2      LEU  41  22.399   9.227   5.189
  325   3HD2  LEU  41          3HD2      LEU  41  22.147  10.208   6.653
  326    H    ALA  42           H        ALA  42  23.046  12.433   2.405
  327    HA   ALA  42           HA       ALA  42  24.483  14.897   2.248
  328   1HB   ALA  42          1HB       ALA  42  26.056  13.609   0.952
  329   2HB   ALA  42          2HB       ALA  42  25.479  12.570   2.276
  330   3HB   ALA  42          3HB       ALA  42  24.843  12.348   0.629
  331    H    THR  43           H        THR  43  22.300  15.960   1.476
  332    HA   THR  43           HA       THR  43  21.797  15.524  -1.350
  333    HB   THR  43           HB       THR  43  20.023  15.895   0.503
  334    HG1  THR  43           HG1      THR  43  20.379  17.609  -1.850
  335   1HG2  THR  43          1HG2      THR  43  21.532  18.185   1.069
  336   2HG2  THR  43          2HG2      THR  43  20.221  18.816   0.044
  337   3HG2  THR  43          3HG2      THR  43  19.834  17.936   1.542
  338    H    GLN  44           H        GLN  44  23.545  17.748   0.777
  339    HA   GLN  44           HA       GLN  44  24.727  18.887  -1.556
  340   1HB   GLN  44          1HB       GLN  44  24.195  21.230  -1.004
  341   2HB   GLN  44          2HB       GLN  44  22.728  20.322  -1.313
  342   1HG   GLN  44          1HG       GLN  44  22.927  19.920   1.379
  343   2HG   GLN  44          2HG       GLN  44  23.752  21.462   1.267
  344   1HE2  GLN  44          2HE2      GLN  44  22.410  22.982   1.866
  345   2HE2  GLN  44          1HE2      GLN  44  20.777  23.207   1.336
  346    H    GLY  45           H        GLY  45  26.180  17.350  -0.067
  347   1HA   GLY  45          1HA       GLY  45  27.449  17.242   1.961
  348   2HA   GLY  45          2HA       GLY  45  27.428  18.992   2.047
  349    HA   PRO  46           HA       PRO  46  31.301  18.680   0.044
  350   1HB   PRO  46          1HB       PRO  46  33.036  17.220   1.569
  351   2HB   PRO  46          2HB       PRO  46  32.601  18.878   1.934
  352   1HG   PRO  46          1HG       PRO  46  31.712  16.392   3.265
  353   2HG   PRO  46          2HG       PRO  46  31.639  18.040   3.856
  354   1HD   PRO  46          1HD       PRO  46  29.461  16.494   2.810
  355   2HD   PRO  46          2HD       PRO  46  29.414  18.178   3.293
  356    H    THR  47           H        THR  47  29.724  17.228  -1.405
  357    HA   THR  47           HA       THR  47  31.421  14.910  -2.059
  358    HB   THR  47           HB       THR  47  28.384  15.177  -1.869
  359    HG1  THR  47           HG1      THR  47  29.979  14.492  -0.087
  360   1HG2  THR  47          1HG2      THR  47  29.548  13.848  -3.974
  361   2HG2  THR  47          2HG2      THR  47  29.650  12.595  -2.714
  362   3HG2  THR  47          3HG2      THR  47  28.069  13.278  -3.164
  363    H    CYS  48           H        CYS  48  32.090  14.721  -4.130
  364    HA   CYS  48           HA       CYS  48  31.410  16.929  -5.852
  365   1HB   CYS  48          1HB       CYS  48  33.528  14.806  -5.836
  366   2HB   CYS  48          2HB       CYS  48  33.123  15.569  -7.361
  367    HG   CYS  48           HG       CYS  48  33.084  18.049  -5.936
  368    H    SER  49           H        SER  49  31.589  13.297  -6.147
  369    HA   SER  49           HA       SER  49  30.372  11.857  -7.221
  370   1HB   SER  49          1HB       SER  49  28.417  13.926  -6.473
  371   2HB   SER  49          2HB       SER  49  27.925  13.056  -7.913
  372    HG   SER  49           HG       SER  49  28.556  11.955  -5.315

  No H/Q in entry =         372
  Start of MODEL   24
    1    H    MET   1           H        MET   1 -31.422  45.923  -0.059
    2    HA   MET   1           HA       MET   1 -30.896  45.305   2.709
    3   1HB   MET   1          1HB       MET   1 -32.590  43.671   1.176
    4   2HB   MET   1          2HB       MET   1 -31.036  42.890   0.967
    5   1HG   MET   1          1HG       MET   1 -31.477  43.668   3.773
    6   2HG   MET   1          2HG       MET   1 -32.758  42.626   3.188
    7   1HE   MET   1          1HE       MET   1 -32.733  40.582   2.498
    8   2HE   MET   1          2HE       MET   1 -31.410  40.064   1.425
    9   3HE   MET   1          3HE       MET   1 -31.584  39.335   3.040
   10    H    VAL   2           H        VAL   2 -28.715  44.999   3.071
   11    HA   VAL   2           HA       VAL   2 -27.014  43.895   1.092
   12    HB   VAL   2           HB       VAL   2 -27.538  46.355   0.390
   13   1HG1  VAL   2          1HG1      VAL   2 -26.724  46.964   2.896
   14   2HG1  VAL   2          2HG1      VAL   2 -25.180  47.125   2.025
   15   3HG1  VAL   2          3HG1      VAL   2 -26.591  48.083   1.518
   16   1HG2  VAL   2          1HG2      VAL   2 -25.217  44.645   0.165
   17   2HG2  VAL   2          2HG2      VAL   2 -25.929  45.752  -1.033
   18   3HG2  VAL   2          3HG2      VAL   2 -24.730  46.356   0.135
   19    H    ALA   3           H        ALA   3 -24.608  45.262   2.108
   20    HA   ALA   3           HA       ALA   3 -24.670  44.996   4.959
   21   1HB   ALA   3          1HB       ALA   3 -22.849  43.052   3.549
   22   2HB   ALA   3          2HB       ALA   3 -24.546  42.606   3.847
   23   3HB   ALA   3          3HB       ALA   3 -23.479  43.011   5.213
   24    H    ALA   4           H        ALA   4 -21.658  44.209   4.660
   25    HA   ALA   4           HA       ALA   4 -20.566  46.441   3.228
   26   1HB   ALA   4          1HB       ALA   4 -19.450  46.906   5.732
   27   2HB   ALA   4          2HB       ALA   4 -21.167  46.613   6.101
   28   3HB   ALA   4          3HB       ALA   4 -20.709  47.894   4.953
   29    H    ALA   5           H        ALA   5 -19.846  44.201   6.008
   30    HA   ALA   5           HA       ALA   5 -18.208  42.522   4.513
   31   1HB   ALA   5          1HB       ALA   5 -16.478  44.260   6.254
   32   2HB   ALA   5          2HB       ALA   5 -16.905  44.835   4.624
   33   3HB   ALA   5          3HB       ALA   5 -16.043  43.291   4.826
   34    H    MET   6           H        MET   6 -19.448  41.020   5.735
   35    HA   MET   6           HA       MET   6 -18.332  40.579   8.338
   36   1HB   MET   6          1HB       MET   6 -20.639  42.069   8.253
   37   2HB   MET   6          2HB       MET   6 -21.344  40.465   8.228
   38   1HG   MET   6          1HG       MET   6 -20.384  39.875  10.342
   39   2HG   MET   6          2HG       MET   6 -19.210  41.174  10.275
   40   1HE   MET   6          1HE       MET   6 -19.477  42.020  12.336
   41   2HE   MET   6          2HE       MET   6 -20.812  43.016  12.963
   42   3HE   MET   6          3HE       MET   6 -20.882  41.243  13.106
   43    H    LEU   7           H        LEU   7 -17.525  38.850   6.732
   44    HA   LEU   7           HA       LEU   7 -19.542  36.843   6.140
   45   1HB   LEU   7          1HB       LEU   7 -16.683  37.279   5.319
   46   2HB   LEU   7          2HB       LEU   7 -17.484  35.744   5.051
   47    HG   LEU   7           HG       LEU   7 -19.030  38.058   4.093
   48   1HD1  LEU   7          1HD1      LEU   7 -16.605  38.746   3.719
   49   2HD1  LEU   7          2HD1      LEU   7 -16.512  37.394   2.564
   50   3HD1  LEU   7          3HD1      LEU   7 -17.668  38.719   2.292
   51   1HD2  LEU   7          1HD2      LEU   7 -18.705  35.268   3.538
   52   2HD2  LEU   7          2HD2      LEU   7 -19.949  36.397   2.950
   53   3HD2  LEU   7          3HD2      LEU   7 -18.431  36.194   2.042
   54    H    LEU   8           H        LEU   8 -16.344  37.115   7.841
   55    HA   LEU   8           HA       LEU   8 -15.714  36.190   9.774
   56   1HB   LEU   8          1HB       LEU   8 -18.431  36.006  10.025
   57   2HB   LEU   8          2HB       LEU   8 -17.957  34.322  10.129
   58    HG   LEU   8           HG       LEU   8 -18.114  35.276  12.341
   59   1HD1  LEU   8          1HD1      LEU   8 -16.154  33.684  11.555
   60   2HD1  LEU   8          2HD1      LEU   8 -15.151  35.085  12.003
   61   3HD1  LEU   8          3HD1      LEU   8 -16.222  34.335  13.211
   62   1HD2  LEU   8          1HD2      LEU   8 -16.427  37.445  11.166
   63   2HD2  LEU   8          2HD2      LEU   8 -17.824  37.541  12.266
   64   3HD2  LEU   8          3HD2      LEU   8 -16.231  37.050  12.891
   65    H    ARG   9           H        ARG   9 -14.466  35.412   7.633
   66    HA   ARG   9           HA       ARG   9 -13.772  32.786   8.187
   67   1HB   ARG   9          1HB       ARG   9 -14.410  31.780   5.932
   68   2HB   ARG   9          2HB       ARG   9 -15.767  32.082   6.999
   69   1HG   ARG   9          1HG       ARG   9 -15.692  34.483   5.707
   70   2HG   ARG   9          2HG       ARG   9 -15.003  33.473   4.452
   71   1HD   ARG   9          1HD       ARG   9 -17.648  32.896   5.875
   72   2HD   ARG   9          2HD       ARG   9 -17.514  33.660   4.304
   73    HE   ARG   9           HE       ARG   9 -17.063  30.817   4.917
   74   1HH1  ARG   9          1HH1      ARG   9 -16.763  29.403   3.147
   75   2HH1  ARG   9          2HH1      ARG   9 -16.457  30.045   1.568
   76   1HH2  ARG   9          1HH2      ARG   9 -16.576  33.413   2.592
   77   2HH2  ARG   9          2HH2      ARG   9 -16.350  32.342   1.250
   78    H    SER  10           H        SER  10 -13.978  35.414   5.721
   79    HA   SER  10           HA       SER  10 -12.546  36.099   4.199
   80   1HB   SER  10          1HB       SER  10 -11.511  36.472   6.837
   81   2HB   SER  10          2HB       SER  10 -10.137  36.087   5.821
   82    HG   SER  10           HG       SER  10 -11.495  37.797   4.350
   83    H    CYS  11           H        CYS  11 -12.850  33.238   4.074
   84    HA   CYS  11           HA       CYS  11 -11.952  31.476   3.126
   85   1HB   CYS  11          1HB       CYS  11 -10.755  33.621   1.789
   86   2HB   CYS  11          2HB       CYS  11  -9.414  32.563   2.178
   87    HG   CYS  11           HG       CYS  11  -9.844  31.461   0.077
   88    HA   PRO  12           HA       PRO  12  -9.185  29.981   6.144
   89   1HB   PRO  12          1HB       PRO  12  -8.574  27.521   5.123
   90   2HB   PRO  12          2HB       PRO  12 -10.055  27.854   5.998
   91   1HG   PRO  12          1HG       PRO  12  -9.663  27.485   3.092
   92   2HG   PRO  12          2HG       PRO  12 -11.147  27.393   4.020
   93   1HD   PRO  12          1HD       PRO  12 -10.299  29.565   2.349
   94   2HD   PRO  12          2HD       PRO  12 -11.724  29.521   3.368
   95    H    VAL  13           H        VAL  13  -6.963  28.457   6.146
   96    HA   VAL  13           HA       VAL  13  -5.208  29.634   4.157
   97    HB   VAL  13           HB       VAL  13  -5.231  31.293   5.918
   98   1HG1  VAL  13          1HG1      VAL  13  -5.844  29.433   7.687
   99   2HG1  VAL  13          2HG1      VAL  13  -4.080  29.371   7.915
  100   3HG1  VAL  13          3HG1      VAL  13  -4.958  30.898   8.174
  101   1HG2  VAL  13          1HG2      VAL  13  -2.732  29.605   5.690
  102   2HG2  VAL  13          2HG2      VAL  13  -3.129  31.130   4.862
  103   3HG2  VAL  13          3HG2      VAL  13  -2.763  31.132   6.604
  104    H    LEU  14           H        LEU  14  -5.577  27.581   7.116
  105    HA   LEU  14           HA       LEU  14  -3.291  26.030   6.572
  106   1HB   LEU  14          1HB       LEU  14  -5.686  25.767   8.357
  107   2HB   LEU  14          2HB       LEU  14  -4.576  24.423   8.172
  108    HG   LEU  14           HG       LEU  14  -3.125  26.878   8.719
  109   1HD1  LEU  14          1HD1      LEU  14  -5.401  26.164  10.563
  110   2HD1  LEU  14          2HD1      LEU  14  -3.933  26.982  11.150
  111   3HD1  LEU  14          3HD1      LEU  14  -4.943  27.753   9.904
  112   1HD2  LEU  14          1HD2      LEU  14  -3.357  24.145   9.975
  113   2HD2  LEU  14          2HD2      LEU  14  -2.012  24.840   9.039
  114   3HD2  LEU  14          3HD2      LEU  14  -2.351  25.431  10.684
  115    H    SER  15           H        SER  15  -6.790  25.053   6.387
  116    HA   SER  15           HA       SER  15  -7.698  23.392   5.268
  117   1HB   SER  15          1HB       SER  15  -6.256  24.626   2.884
  118   2HB   SER  15          2HB       SER  15  -7.790  23.780   2.865
  119    HG   SER  15           HG       SER  15  -8.483  25.848   2.944
  120    H    GLN  16           H        GLN  16  -6.636  21.504   6.078
  121    HA   GLN  16           HA       GLN  16  -5.514  19.651   5.935
  122   1HB   GLN  16          1HB       GLN  16  -5.477  20.513   3.057
  123   2HB   GLN  16          2HB       GLN  16  -4.401  19.208   3.514
  124   1HG   GLN  16          1HG       GLN  16  -7.322  19.158   4.350
  125   2HG   GLN  16          2HG       GLN  16  -6.849  18.629   2.748
  126   1HE2  GLN  16          2HE2      GLN  16  -7.645  16.562   3.346
  127   2HE2  GLN  16          1HE2      GLN  16  -6.687  15.457   4.275
  128    H    GLY  17           H        GLY  17  -3.862  20.079   7.415
  129   1HA   GLY  17          1HA       GLY  17  -1.899  21.127   8.115
  130   2HA   GLY  17          2HA       GLY  17  -1.484  21.499   6.454
  131    HA   PRO  18           HA       PRO  18   0.396  17.452   7.878
  132   1HB   PRO  18          1HB       PRO  18  -0.986  15.668   9.420
  133   2HB   PRO  18          2HB       PRO  18   0.030  16.928  10.090
  134   1HG   PRO  18          1HG       PRO  18  -2.920  16.797   9.964
  135   2HG   PRO  18          2HG       PRO  18  -1.909  17.805  10.980
  136   1HD   PRO  18          1HD       PRO  18  -3.331  18.621   8.627
  137   2HD   PRO  18          2HD       PRO  18  -2.228  19.597   9.576
  138    H    THR  19           H        THR  19   0.455  14.994   7.422
  139    HA   THR  19           HA       THR  19  -1.673  14.375   5.507
  140    HB   THR  19           HB       THR  19   1.333  14.522   4.987
  141    HG1  THR  19           HG1      THR  19   0.259  15.693   3.108
  142   1HG2  THR  19          1HG2      THR  19  -0.393  12.473   4.027
  143   2HG2  THR  19          2HG2      THR  19  -0.323  13.681   2.722
  144   3HG2  THR  19          3HG2      THR  19   1.177  12.947   3.337
  145    H    GLY  20           H        GLY  20   1.409  13.069   6.917
  146   1HA   GLY  20          1HA       GLY  20   0.085  10.461   7.146
  147   2HA   GLY  20          2HA       GLY  20   0.660  11.234   8.610
  148    H    LEU  21           H        LEU  21   2.748  10.850   9.232
  149    HA   LEU  21           HA       LEU  21   4.456   9.518   7.280
  150   1HB   LEU  21          1HB       LEU  21   6.367  10.910   7.923
  151   2HB   LEU  21          2HB       LEU  21   5.119  11.795   7.068
  152    HG   LEU  21           HG       LEU  21   4.944  11.883  10.028
  153   1HD1  LEU  21          1HD1      LEU  21   7.421  12.556   8.630
  154   2HD1  LEU  21          2HD1      LEU  21   6.745  13.922   9.550
  155   3HD1  LEU  21          3HD1      LEU  21   7.091  12.380  10.370
  156   1HD2  LEU  21          1HD2      LEU  21   4.441  13.696   7.699
  157   2HD2  LEU  21          2HD2      LEU  21   3.376  13.244   9.052
  158   3HD2  LEU  21          3HD2      LEU  21   4.703  14.401   9.312
  159    H    LEU  22           H        LEU  22   3.690   7.655   8.561
  160    HA   LEU  22           HA       LEU  22   5.561   6.957  10.514
  161   1HB   LEU  22          1HB       LEU  22   4.071   8.637  11.755
  162   2HB   LEU  22          2HB       LEU  22   2.833   7.398  11.706
  163    HG   LEU  22           HG       LEU  22   5.530   6.672  12.790
  164   1HD1  LEU  22          1HD1      LEU  22   4.904   8.880  13.805
  165   2HD1  LEU  22          2HD1      LEU  22   3.454   8.093  14.472
  166   3HD1  LEU  22          3HD1      LEU  22   5.072   7.539  14.964
  167   1HD2  LEU  22          1HD2      LEU  22   2.699   5.852  13.500
  168   2HD2  LEU  22          2HD2      LEU  22   3.859   4.926  12.517
  169   3HD2  LEU  22          3HD2      LEU  22   4.185   5.214  14.243
  170    H    GLY  23           H        GLY  23   5.836   4.943   9.700
  171   1HA   GLY  23          1HA       GLY  23   3.389   3.331   9.278
  172   2HA   GLY  23          2HA       GLY  23   4.872   2.703   9.970
  173    H    LYS  24           H        LYS  24   3.933   4.689   7.062
  174    HA   LYS  24           HA       LYS  24   4.860   2.691   5.281
  175   1HB   LYS  24          1HB       LYS  24   3.118   4.763   5.093
  176   2HB   LYS  24          2HB       LYS  24   4.517   5.476   4.315
  177   1HG   LYS  24          1HG       LYS  24   4.126   4.264   2.442
  178   2HG   LYS  24          2HG       LYS  24   4.288   2.773   3.348
  179   1HD   LYS  24          1HD       LYS  24   1.701   4.367   3.437
  180   2HD   LYS  24          2HD       LYS  24   2.021   3.256   2.120
  181   1HE   LYS  24          1HE       LYS  24   2.261   2.383   5.029
  182   2HE   LYS  24          2HE       LYS  24   0.726   2.336   4.183
  183    H    VAL  25           H        VAL  25   6.301   5.465   6.937
  184    HA   VAL  25           HA       VAL  25   8.579   5.534   5.187
  185    HB   VAL  25           HB       VAL  25   7.907   6.875   7.811
  186   1HG1  VAL  25          1HG1      VAL  25  10.406   6.488   7.338
  187   2HG1  VAL  25          2HG1      VAL  25  10.203   7.647   6.003
  188   3HG1  VAL  25          3HG1      VAL  25   9.878   8.154   7.678
  189   1HG2  VAL  25          1HG2      VAL  25   7.848   7.783   4.921
  190   2HG2  VAL  25          2HG2      VAL  25   6.504   7.720   6.087
  191   3HG2  VAL  25          3HG2      VAL  25   7.809   8.913   6.295
  192    H    ALA  26           H        ALA  26   7.532   3.856   8.106
  193    HA   ALA  26           HA       ALA  26  10.138   3.197   9.017
  194   1HB   ALA  26          1HB       ALA  26   8.723   1.417  10.287
  195   2HB   ALA  26          2HB       ALA  26   8.435   3.138  10.641
  196   3HB   ALA  26          3HB       ALA  26   7.319   2.249   9.576
  197    H    LYS  27           H        LYS  27   7.530   1.163   7.492
  198    HA   LYS  27           HA       LYS  27   8.911  -1.093   7.065
  199   1HB   LYS  27          1HB       LYS  27   6.539   0.105   6.071
  200   2HB   LYS  27          2HB       LYS  27   7.408  -0.505   4.678
  201   1HG   LYS  27          1HG       LYS  27   7.232  -2.718   5.350
  202   2HG   LYS  27          2HG       LYS  27   7.333  -2.325   7.055
  203   1HD   LYS  27          1HD       LYS  27   4.900  -1.179   5.921
  204   2HD   LYS  27          2HD       LYS  27   4.982  -2.889   5.544
  205   1HE   LYS  27          1HE       LYS  27   4.597  -3.495   7.711
  206   2HE   LYS  27          2HE       LYS  27   5.784  -2.362   8.327
  207    H    THR  28           H        THR  28   8.906   1.770   4.831
  208    HA   THR  28           HA       THR  28  10.646   0.781   2.949
  209    HB   THR  28           HB       THR  28  10.003   3.546   4.046
  210    HG1  THR  28           HG1      THR  28   9.747   2.210   1.450
  211   1HG2  THR  28          1HG2      THR  28  12.333   2.840   2.442
  212   2HG2  THR  28          2HG2      THR  28  11.782   4.458   2.941
  213   3HG2  THR  28          3HG2      THR  28  11.165   3.732   1.437
  214    H    TYR  29           H        TYR  29  11.419   2.348   6.101
  215    HA   TYR  29           HA       TYR  29  14.245   2.009   5.578
  216   1HB   TYR  29          1HB       TYR  29  12.637   3.798   6.963
  217   2HB   TYR  29          2HB       TYR  29  13.048   2.707   8.271
  218    HD1  TYR  29           HD1      TYR  29  14.646   4.746   5.566
  219    HD2  TYR  29           HD2      TYR  29  15.042   3.011   9.457
  220    HE1  TYR  29           HE1      TYR  29  16.861   5.952   5.887
  221    HE2  TYR  29           HE2      TYR  29  17.256   4.222   9.764
  222    HH   TYR  29           HH       TYR  29  19.079   5.184   7.727
  223    H    GLN  30           H        GLN  30  12.048  -0.253   6.093
  224    HA   GLN  30           HA       GLN  30  13.613  -1.554   8.185
  225   1HB   GLN  30          1HB       GLN  30  10.823  -1.110   8.039
  226   2HB   GLN  30          2HB       GLN  30  11.022  -2.808   7.653
  227   1HG   GLN  30          1HG       GLN  30  12.390  -3.127   9.718
  228   2HG   GLN  30          2HG       GLN  30  12.222  -1.425  10.100
  229   1HE2  GLN  30          2HE2      GLN  30  10.080  -0.562  10.441
  230   2HE2  GLN  30          1HE2      GLN  30   8.834  -1.553  11.124
  231    H    PHE  31           H        PHE  31  13.057  -1.400   4.867
  232    HA   PHE  31           HA       PHE  31  13.526  -4.272   4.525
  233   1HB   PHE  31          1HB       PHE  31  11.599  -2.739   3.422
  234   2HB   PHE  31          2HB       PHE  31  12.888  -2.225   2.352
  235    HD1  PHE  31           HD1      PHE  31  10.240  -4.385   2.579
  236    HD2  PHE  31           HD2      PHE  31  14.337  -4.387   1.473
  237    HE1  PHE  31           HE1      PHE  31   9.850  -6.403   1.139
  238    HE2  PHE  31           HE2      PHE  31  13.947  -6.406   0.033
  239    HZ   PHE  31           HZ       PHE  31  11.709  -7.390  -0.117
  240    H    LEU  32           H        LEU  32  14.674  -0.969   3.656
  241    HA   LEU  32           HA       LEU  32  16.761  -1.868   1.990
  242   1HB   LEU  32          1HB       LEU  32  15.950   0.686   3.284
  243   2HB   LEU  32          2HB       LEU  32  17.605   0.550   2.725
  244    HG   LEU  32           HG       LEU  32  15.464  -0.242   0.807
  245   1HD1  LEU  32          1HD1      LEU  32  15.896   2.582   1.772
  246   2HD1  LEU  32          2HD1      LEU  32  15.308   2.229   0.130
  247   3HD1  LEU  32          3HD1      LEU  32  14.372   1.690   1.545
  248   1HD2  LEU  32          1HD2      LEU  32  18.134  -0.073   0.588
  249   2HD2  LEU  32          2HD2      LEU  32  17.022   0.181  -0.778
  250   3HD2  LEU  32          3HD2      LEU  32  17.697   1.579   0.092
  251    H    PHE  33           H        PHE  33  16.342  -1.550   5.488
  252    HA   PHE  33           HA       PHE  33  19.181  -1.784   5.958
  253   1HB   PHE  33          1HB       PHE  33  16.995  -0.667   7.268
  254   2HB   PHE  33          2HB       PHE  33  17.098  -2.208   8.098
  255    HD1  PHE  33           HD1      PHE  33  18.459   1.090   7.814
  256    HD2  PHE  33           HD2      PHE  33  19.299  -2.827   9.212
  257    HE1  PHE  33           HE1      PHE  33  20.271   2.005   9.290
  258    HE2  PHE  33           HE2      PHE  33  21.111  -1.912  10.688
  259    HZ   PHE  33           HZ       PHE  33  21.575   0.493  10.709
  260    H    SER  34           H        SER  34  16.466  -3.869   5.399
  261    HA   SER  34           HA       SER  34  17.636  -6.010   6.931
  262   1HB   SER  34          1HB       SER  34  15.029  -5.344   6.374
  263   2HB   SER  34          2HB       SER  34  15.313  -6.557   5.142
  264    HG   SER  34           HG       SER  34  16.231  -7.210   7.741
  265    H    ILE  35           H        ILE  35  19.374  -5.108   4.921
  266    HA   ILE  35           HA       ILE  35  19.054  -7.118   2.807
  267    HB   ILE  35           HB       ILE  35  20.661  -5.709   1.550
  268   1HG1  ILE  35          1HG1      ILE  35  20.232  -3.709   3.789
  269   2HG1  ILE  35          2HG1      ILE  35  21.710  -4.608   3.509
  270   1HG2  ILE  35          1HG2      ILE  35  17.903  -5.320   2.017
  271   2HG2  ILE  35          2HG2      ILE  35  18.640  -3.702   1.920
  272   3HG2  ILE  35          3HG2      ILE  35  18.855  -4.860   0.585
  273   1HD1  ILE  35          1HD1      ILE  35  21.562  -3.620   1.065
  274   2HD1  ILE  35          2HD1      ILE  35  20.469  -2.431   1.813
  275   3HD1  ILE  35          3HD1      ILE  35  22.145  -2.586   2.392
  276    H    GLY  36           H        GLY  36  21.031  -5.939   5.499
  277   1HA   GLY  36          1HA       GLY  36  23.124  -7.905   4.854
  278   2HA   GLY  36          2HA       GLY  36  22.264  -8.025   6.376
  279    H    ARG  37           H        ARG  37  25.108  -6.991   5.133
  280    HA   ARG  37           HA       ARG  37  25.511  -4.438   5.793
  281   1HB   ARG  37          1HB       ARG  37  24.883  -5.884   8.193
  282   2HB   ARG  37          2HB       ARG  37  26.599  -5.535   8.263
  283   1HG   ARG  37          1HG       ARG  37  25.717  -3.105   7.415
  284   2HG   ARG  37          2HG       ARG  37  24.272  -3.637   8.251
  285   1HD   ARG  37          1HD       ARG  37  26.795  -4.121   9.759
  286   2HD   ARG  37          2HD       ARG  37  26.445  -2.428   9.473
  287    HE   ARG  37           HE       ARG  37  24.148  -3.987  10.451
  288   1HH1  ARG  37          1HH1      ARG  37  23.304  -3.430  12.500
  289   2HH1  ARG  37          2HH1      ARG  37  24.208  -2.397  13.556
  290   1HH2  ARG  37          1HH2      ARG  37  26.914  -2.001  11.336
  291   2HH2  ARG  37          2HH2      ARG  37  26.275  -1.578  12.890
  292    H    CYS  38           H        CYS  38  26.580  -7.820   6.001
  293    HA   CYS  38           HA       CYS  38  28.731  -7.604   4.419
  294   1HB   CYS  38          1HB       CYS  38  29.367  -6.395   6.989
  295   2HB   CYS  38          2HB       CYS  38  30.413  -7.762   6.662
  296    HG   CYS  38           HG       CYS  38  30.811  -4.952   5.764
  297    HA   PRO  39           HA       PRO  39  28.887 -11.424   7.243
  298   1HB   PRO  39          1HB       PRO  39  27.424 -11.491   9.550
  299   2HB   PRO  39          2HB       PRO  39  29.116 -11.037   9.501
  300   1HG   PRO  39          1HG       PRO  39  26.742  -9.307   9.830
  301   2HG   PRO  39          2HG       PRO  39  28.418  -8.952  10.196
  302   1HD   PRO  39          1HD       PRO  39  26.926  -8.033   7.925
  303   2HD   PRO  39          2HD       PRO  39  28.632  -7.774   8.233
  304    H    ILE  40           H        ILE  40  27.465 -11.266   5.107
  305    HA   ILE  40           HA       ILE  40  24.739 -11.943   5.608
  306    HB   ILE  40           HB       ILE  40  24.803 -12.420   3.113
  307   1HG1  ILE  40          1HG1      ILE  40  27.351 -10.905   2.926
  308   2HG1  ILE  40          2HG1      ILE  40  27.491 -12.585   3.407
  309   1HG2  ILE  40          1HG2      ILE  40  25.129  -9.850   4.534
  310   2HG2  ILE  40          2HG2      ILE  40  25.399  -9.797   2.776
  311   3HG2  ILE  40          3HG2      ILE  40  23.855 -10.403   3.421
  312   1HD1  ILE  40          1HD1      ILE  40  25.927 -13.126   1.408
  313   2HD1  ILE  40          2HD1      ILE  40  26.256 -11.463   0.866
  314   3HD1  ILE  40          3HD1      ILE  40  27.592 -12.628   1.026
  315    H    LEU  41           H        LEU  41  27.799 -13.650   5.413
  316    HA   LEU  41           HA       LEU  41  26.318 -16.183   5.306
  317   1HB   LEU  41          1HB       LEU  41  28.059 -15.564   3.516
  318   2HB   LEU  41          2HB       LEU  41  29.256 -15.844   4.765
  319    HG   LEU  41           HG       LEU  41  27.823 -18.146   4.958
  320   1HD1  LEU  41          1HD1      LEU  41  26.346 -17.536   3.096
  321   2HD1  LEU  41          2HD1      LEU  41  27.757 -17.405   2.019
  322   3HD1  LEU  41          3HD1      LEU  41  27.319 -18.980   2.725
  323   1HD2  LEU  41          1HD2      LEU  41  30.375 -17.474   4.407
  324   2HD2  LEU  41          2HD2      LEU  41  29.750 -19.139   4.329
  325   3HD2  LEU  41          3HD2      LEU  41  29.897 -18.173   2.841
  326    H    ALA  42           H        ALA  42  29.390 -14.814   6.697
  327    HA   ALA  42           HA       ALA  42  28.554 -15.535   9.334
  328   1HB   ALA  42          1HB       ALA  42  29.840 -17.527   7.785
  329   2HB   ALA  42          2HB       ALA  42  29.542 -17.542   9.540
  330   3HB   ALA  42          3HB       ALA  42  31.075 -16.900   8.903
  331    H    THR  43           H        THR  43  31.588 -15.079   7.373
  332    HA   THR  43           HA       THR  43  32.011 -12.457   8.265
  333    HB   THR  43           HB       THR  43  32.426 -13.334  10.477
  334    HG1  THR  43           HG1      THR  43  34.130 -11.970   9.324
  335   1HG2  THR  43          1HG2      THR  43  34.087 -15.448   9.019
  336   2HG2  THR  43          2HG2      THR  43  34.241 -15.131  10.763
  337   3HG2  THR  43          3HG2      THR  43  32.700 -15.726  10.099
  338    H    GLN  44           H        GLN  44  33.420 -15.570   7.170
  339    HA   GLN  44           HA       GLN  44  34.307 -14.473   4.813
  340   1HB   GLN  44          1HB       GLN  44  36.797 -14.504   5.190
  341   2HB   GLN  44          2HB       GLN  44  35.972 -13.217   6.046
  342   1HG   GLN  44          1HG       GLN  44  37.169 -14.003   7.843
  343   2HG   GLN  44          2HG       GLN  44  35.849 -15.150   7.964
  344   1HE2  GLN  44          2HE2      GLN  44  38.605 -15.433   8.783
  345   2HE2  GLN  44          1HE2      GLN  44  39.272 -16.798   7.950
  346    H    GLY  45           H        GLY  45  34.879 -16.859   7.440
  347   1HA   GLY  45          1HA       GLY  45  35.551 -18.909   5.445
  348   2HA   GLY  45          2HA       GLY  45  34.130 -19.132   6.445
  349    HA   PRO  46           HA       PRO  46  36.800 -19.649   9.987
  350   1HB   PRO  46          1HB       PRO  46  35.073 -21.172  11.459
  351   2HB   PRO  46          2HB       PRO  46  35.135 -19.424  11.562
  352   1HG   PRO  46          1HG       PRO  46  33.124 -21.133  10.231
  353   2HG   PRO  46          2HG       PRO  46  32.992 -19.452  10.709
  354   1HD   PRO  46          1HD       PRO  46  33.419 -20.452   8.055
  355   2HD   PRO  46          2HD       PRO  46  33.403 -18.772   8.552
  356    H    THR  47           H        THR  47  34.946 -22.093   8.312
  357    HA   THR  47           HA       THR  47  36.100 -24.375   9.140
  358    HB   THR  47           HB       THR  47  34.335 -24.040   7.342
  359    HG1  THR  47           HG1      THR  47  35.453 -25.829   6.008
  360   1HG2  THR  47          1HG2      THR  47  36.236 -22.500   6.036
  361   2HG2  THR  47          2HG2      THR  47  36.448 -24.077   5.239
  362   3HG2  THR  47          3HG2      THR  47  34.856 -23.280   5.226
  363    H    CYS  48           H        CYS  48  37.929 -25.651   8.692
  364    HA   CYS  48           HA       CYS  48  40.047 -26.052   8.276
  365   1HB   CYS  48          1HB       CYS  48  39.420 -24.119   6.124
  366   2HB   CYS  48          2HB       CYS  48  41.122 -24.248   6.520
  367    HG   CYS  48           HG       CYS  48  39.075 -26.241   5.082
  368    H    SER  49           H        SER  49  40.621 -25.504  10.463
  369    HA   SER  49           HA       SER  49  41.183 -22.775  11.067
  370   1HB   SER  49          1HB       SER  49  40.209 -24.421  12.717
  371   2HB   SER  49          2HB       SER  49  41.734 -25.285  12.711
  372    HG   SER  49           HG       SER  49  41.166 -22.643  13.700

  No H/Q in entry =         372
  Start of MODEL   25
    1    H    MET   1           H        MET   1   0.060  52.022  15.261
    2    HA   MET   1           HA       MET   1   1.788  50.228  16.037
    3   1HB   MET   1          1HB       MET   1   1.666  49.864  18.435
    4   2HB   MET   1          2HB       MET   1   1.942  51.582  18.232
    5   1HG   MET   1          1HG       MET   1  -0.876  51.311  18.145
    6   2HG   MET   1          2HG       MET   1  -0.371  50.204  19.407
    7   1HE   MET   1          1HE       MET   1   0.019  53.428  17.774
    8   2HE   MET   1          2HE       MET   1  -0.339  54.608  19.058
    9   3HE   MET   1          3HE       MET   1   1.346  54.146  18.717
   10    H    VAL   2           H        VAL   2   0.223  48.579  17.943
   11    HA   VAL   2           HA       VAL   2  -1.427  47.111  17.910
   12    HB   VAL   2           HB       VAL   2  -2.898  49.457  16.704
   13   1HG1  VAL   2          1HG1      VAL   2  -3.937  47.220  16.143
   14   2HG1  VAL   2          2HG1      VAL   2  -4.162  46.969  17.891
   15   3HG1  VAL   2          3HG1      VAL   2  -4.971  48.329  17.076
   16   1HG2  VAL   2          1HG2      VAL   2  -2.032  48.790  19.369
   17   2HG2  VAL   2          2HG2      VAL   2  -2.883  50.242  18.791
   18   3HG2  VAL   2          3HG2      VAL   2  -3.811  48.814  19.308
   19    H    ALA   3           H        ALA   3  -2.451  45.491  16.566
   20    HA   ALA   3           HA       ALA   3  -2.884  44.392  14.663
   21   1HB   ALA   3          1HB       ALA   3  -2.858  47.003  13.740
   22   2HB   ALA   3          2HB       ALA   3  -3.257  45.568  12.766
   23   3HB   ALA   3          3HB       ALA   3  -1.604  46.227  12.745
   24    H    ALA   4           H        ALA   4  -0.985  43.402  16.090
   25    HA   ALA   4           HA       ALA   4   1.512  43.426  14.586
   26   1HB   ALA   4          1HB       ALA   4   2.522  42.722  16.549
   27   2HB   ALA   4          2HB       ALA   4   1.142  43.632  17.210
   28   3HB   ALA   4          3HB       ALA   4   1.072  41.856  17.112
   29    H    ALA   5           H        ALA   5  -0.953  41.114  15.915
   30    HA   ALA   5           HA       ALA   5  -1.721  39.206  15.068
   31   1HB   ALA   5          1HB       ALA   5  -1.776  39.001  12.816
   32   2HB   ALA   5          2HB       ALA   5  -0.893  40.547  12.790
   33   3HB   ALA   5          3HB       ALA   5  -0.001  39.010  12.684
   34    H    MET   6           H        MET   6  -0.921  37.884  16.693
   35    HA   MET   6           HA       MET   6   1.849  37.132  16.568
   36   1HB   MET   6          1HB       MET   6  -0.447  36.913  18.505
   37   2HB   MET   6          2HB       MET   6   0.753  35.640  18.612
   38   1HG   MET   6          1HG       MET   6   2.493  37.139  19.197
   39   2HG   MET   6          2HG       MET   6   1.680  38.523  18.495
   40   1HE   MET   6          1HE       MET   6   3.112  37.711  21.163
   41   2HE   MET   6          2HE       MET   6   2.181  38.264  22.575
   42   3HE   MET   6          3HE       MET   6   2.089  36.563  22.059
   43    H    LEU   7           H        LEU   7   0.359  36.281  14.282
   44    HA   LEU   7           HA       LEU   7  -0.225  33.476  14.766
   45   1HB   LEU   7          1HB       LEU   7  -0.610  35.315  12.409
   46   2HB   LEU   7          2HB       LEU   7  -0.872  33.585  12.313
   47    HG   LEU   7           HG       LEU   7  -2.295  34.783  14.567
   48   1HD1  LEU   7          1HD1      LEU   7  -2.200  36.647  12.751
   49   2HD1  LEU   7          2HD1      LEU   7  -3.378  35.623  11.895
   50   3HD1  LEU   7          3HD1      LEU   7  -3.752  36.240  13.522
   51   1HD2  LEU   7          1HD2      LEU   7  -2.523  32.579  12.850
   52   2HD2  LEU   7          2HD2      LEU   7  -3.619  33.047  14.172
   53   3HD2  LEU   7          3HD2      LEU   7  -3.944  33.596  12.511
   54    H    LEU   8           H        LEU   8   2.421  34.029  15.343
   55    HA   LEU   8           HA       LEU   8   3.997  33.560  12.983
   56   1HB   LEU   8          1HB       LEU   8   4.417  34.383  15.743
   57   2HB   LEU   8          2HB       LEU   8   5.598  33.197  15.225
   58    HG   LEU   8           HG       LEU   8   6.404  35.474  14.886
   59   1HD1  LEU   8          1HD1      LEU   8   5.855  34.024  12.282
   60   2HD1  LEU   8          2HD1      LEU   8   7.082  35.289  12.531
   61   3HD1  LEU   8          3HD1      LEU   8   7.217  33.736  13.391
   62   1HD2  LEU   8          1HD2      LEU   8   3.771  35.817  13.587
   63   2HD2  LEU   8          2HD2      LEU   8   4.788  36.983  14.466
   64   3HD2  LEU   8          3HD2      LEU   8   5.145  36.594  12.766
   65    H    ARG   9           H        ARG   9   2.256  31.573  12.841
   66    HA   ARG   9           HA       ARG   9   3.860  29.332  13.026
   67   1HB   ARG   9          1HB       ARG   9   2.623  28.009  14.739
   68   2HB   ARG   9          2HB       ARG   9   3.372  29.422  15.455
   69   1HG   ARG   9          1HG       ARG   9   0.930  30.472  14.749
   70   2HG   ARG   9          2HG       ARG   9   0.475  28.807  15.052
   71   1HD   ARG   9          1HD       ARG   9   2.178  30.360  17.043
   72   2HD   ARG   9          2HD       ARG   9   0.429  30.467  17.067
   73    HE   ARG   9           HE       ARG   9   1.015  27.714  16.998
   74   1HH1  ARG   9          1HH1      ARG   9   1.100  26.419  18.879
   75   2HH1  ARG   9          2HH1      ARG   9   1.406  27.149  20.420
   76   1HH2  ARG   9          1HH2      ARG   9   1.665  30.423  19.147
   77   2HH2  ARG   9          2HH2      ARG   9   1.729  29.442  20.573
   78    H    SER  10           H        SER  10   2.223  30.715  11.096
   79    HA   SER  10           HA       SER  10  -0.001  28.862  10.780
   80   1HB   SER  10          1HB       SER  10   0.029  31.630  10.643
   81   2HB   SER  10          2HB       SER  10   0.162  31.195   8.951
   82    HG   SER  10           HG       SER  10  -1.843  30.094  10.726
   83    H    CYS  11           H        CYS  11   2.576  27.860  10.240
   84    HA   CYS  11           HA       CYS  11   2.391  27.568   7.349
   85   1HB   CYS  11          1HB       CYS  11   4.814  27.736   7.074
   86   2HB   CYS  11          2HB       CYS  11   4.150  29.234   7.693
   87    HG   CYS  11           HG       CYS  11   5.854  26.837   9.163
   88    HA   PRO  12           HA       PRO  12   2.934  23.409   8.529
   89   1HB   PRO  12          1HB       PRO  12   3.766  22.276   6.185
   90   2HB   PRO  12          2HB       PRO  12   2.087  22.645   6.529
   91   1HG   PRO  12          1HG       PRO  12   3.972  24.071   4.752
   92   2HG   PRO  12          2HG       PRO  12   2.221  24.152   4.787
   93   1HD   PRO  12          1HD       PRO  12   4.051  26.102   5.825
   94   2HD   PRO  12          2HD       PRO  12   2.304  26.126   5.962
   95    H    VAL  13           H        VAL  13   4.351  21.821   9.293
   96    HA   VAL  13           HA       VAL  13   7.143  22.323   8.657
   97    HB   VAL  13           HB       VAL  13   7.368  21.983  11.317
   98   1HG1  VAL  13          1HG1      VAL  13   7.668  24.124   9.427
   99   2HG1  VAL  13          2HG1      VAL  13   7.067  24.788  10.966
  100   3HG1  VAL  13          3HG1      VAL  13   8.564  23.825  10.936
  101   1HG2  VAL  13          1HG2      VAL  13   4.927  22.045  11.676
  102   2HG2  VAL  13          2HG2      VAL  13   5.756  23.390  12.495
  103   3HG2  VAL  13          3HG2      VAL  13   4.873  23.681  10.977
  104    H    LEU  14           H        LEU  14   4.703  20.395  10.513
  105    HA   LEU  14           HA       LEU  14   6.403  18.051  10.138
  106   1HB   LEU  14          1HB       LEU  14   3.915  18.404  11.815
  107   2HB   LEU  14          2HB       LEU  14   4.956  16.995  11.781
  108    HG   LEU  14           HG       LEU  14   6.533  19.331  12.393
  109   1HD1  LEU  14          1HD1      LEU  14   4.219  20.113  13.165
  110   2HD1  LEU  14          2HD1      LEU  14   4.358  18.867  14.430
  111   3HD1  LEU  14          3HD1      LEU  14   5.553  20.183  14.342
  112   1HD2  LEU  14          1HD2      LEU  14   6.653  16.702  12.935
  113   2HD2  LEU  14          2HD2      LEU  14   7.511  17.940  13.884
  114   3HD2  LEU  14          3HD2      LEU  14   5.962  17.287  14.468
  115    H    SER  15           H        SER  15   5.618  18.783   7.710
  116    HA   SER  15           HA       SER  15   3.033  17.823   7.082
  117   1HB   SER  15          1HB       SER  15   4.021  19.587   5.730
  118   2HB   SER  15          2HB       SER  15   5.430  18.608   5.376
  119    HG   SER  15           HG       SER  15   3.688  18.737   3.675
  120    H    GLN  16           H        GLN  16   3.869  15.721   8.436
  121    HA   GLN  16           HA       GLN  16   4.134  13.723   6.438
  122   1HB   GLN  16          1HB       GLN  16   6.515  14.640   7.822
  123   2HB   GLN  16          2HB       GLN  16   6.184  12.982   8.285
  124   1HG   GLN  16          1HG       GLN  16   7.238  12.425   6.338
  125   2HG   GLN  16          2HG       GLN  16   5.728  12.861   5.562
  126   1HE2  GLN  16          2HE2      GLN  16   8.566  14.503   6.965
  127   2HE2  GLN  16          1HE2      GLN  16   8.834  15.621   5.670
  128    H    GLY  17           H        GLY  17   2.137  14.532   8.377
  129   1HA   GLY  17          1HA       GLY  17   1.374  13.818  10.539
  130   2HA   GLY  17          2HA       GLY  17   2.270  12.325  10.338
  131    HA   PRO  18           HA       PRO  18  -2.058  12.009   8.601
  132   1HB   PRO  18          1HB       PRO  18  -3.273  14.094   7.318
  133   2HB   PRO  18          2HB       PRO  18  -3.409  13.820   9.043
  134   1HG   PRO  18          1HG       PRO  18  -1.804  15.847   7.609
  135   2HG   PRO  18          2HG       PRO  18  -2.288  15.820   9.294
  136   1HD   PRO  18          1HD       PRO  18   0.305  15.187   8.242
  137   2HD   PRO  18          2HD       PRO  18  -0.212  15.049   9.911
  138    H    THR  19           H        THR  19   0.534  12.874   6.851
  139    HA   THR  19           HA       THR  19  -0.568  11.475   4.525
  140    HB   THR  19           HB       THR  19   0.670  13.225   3.103
  141    HG1  THR  19           HG1      THR  19   0.882  15.268   4.521
  142   1HG2  THR  19          1HG2      THR  19  -1.675  14.005   4.890
  143   2HG2  THR  19          2HG2      THR  19  -1.004  15.145   3.700
  144   3HG2  THR  19          3HG2      THR  19  -1.702  13.600   3.157
  145    H    GLY  20           H        GLY  20   2.333  12.751   6.250
  146   1HA   GLY  20          1HA       GLY  20   4.308  11.741   6.661
  147   2HA   GLY  20          2HA       GLY  20   4.339  11.483   4.928
  148    H    LEU  21           H        LEU  21   2.514  10.084   7.756
  149    HA   LEU  21           HA       LEU  21   2.025   7.996   8.288
  150   1HB   LEU  21          1HB       LEU  21   1.734   8.025   5.567
  151   2HB   LEU  21          2HB       LEU  21   2.870   6.709   5.785
  152    HG   LEU  21           HG       LEU  21   0.414   6.759   7.498
  153   1HD1  LEU  21          1HD1      LEU  21   0.277   6.883   4.656
  154   2HD1  LEU  21          2HD1      LEU  21  -0.167   5.234   5.161
  155   3HD1  LEU  21          3HD1      LEU  21  -1.038   6.635   5.830
  156   1HD2  LEU  21          1HD2      LEU  21   2.260   5.079   7.769
  157   2HD2  LEU  21          2HD2      LEU  21   0.647   4.387   7.476
  158   3HD2  LEU  21          3HD2      LEU  21   1.840   4.451   6.157
  159    H    LEU  22           H        LEU  22   3.539   7.696   9.899
  160    HA   LEU  22           HA       LEU  22   6.269   7.396   9.435
  161   1HB   LEU  22          1HB       LEU  22   6.450   7.123  11.680
  162   2HB   LEU  22          2HB       LEU  22   4.899   7.931  11.576
  163    HG   LEU  22           HG       LEU  22   5.073   4.924  11.704
  164   1HD1  LEU  22          1HD1      LEU  22   6.375   5.912  13.594
  165   2HD1  LEU  22          2HD1      LEU  22   4.889   6.740  14.119
  166   3HD1  LEU  22          3HD1      LEU  22   4.955   4.962  14.094
  167   1HD2  LEU  22          1HD2      LEU  22   2.947   6.233  11.073
  168   2HD2  LEU  22          2HD2      LEU  22   2.827   4.977  12.328
  169   3HD2  LEU  22          3HD2      LEU  22   2.891   6.694  12.791
  170    H    GLY  23           H        GLY  23   3.569   5.030   9.603
  171   1HA   GLY  23          1HA       GLY  23   3.444   2.891   8.925
  172   2HA   GLY  23          2HA       GLY  23   5.006   2.672   9.690
  173    H    LYS  24           H        LYS  24   4.326   4.881   6.929
  174    HA   LYS  24           HA       LYS  24   5.239   3.053   4.966
  175   1HB   LYS  24          1HB       LYS  24   3.639   4.967   4.613
  176   2HB   LYS  24          2HB       LYS  24   4.994   6.068   4.772
  177   1HG   LYS  24          1HG       LYS  24   5.373   5.774   2.553
  178   2HG   LYS  24          2HG       LYS  24   5.926   4.155   2.934
  179   1HD   LYS  24          1HD       LYS  24   3.289   3.621   2.906
  180   2HD   LYS  24          2HD       LYS  24   3.239   5.049   1.893
  181   1HE   LYS  24          1HE       LYS  24   3.591   3.400   0.274
  182   2HE   LYS  24          2HE       LYS  24   5.246   3.873   0.605
  183    H    VAL  25           H        VAL  25   6.738   5.594   6.992
  184    HA   VAL  25           HA       VAL  25   9.222   5.442   5.566
  185    HB   VAL  25           HB       VAL  25   8.336   6.780   8.125
  186   1HG1  VAL  25          1HG1      VAL  25  10.787   6.128   8.107
  187   2HG1  VAL  25          2HG1      VAL  25  10.981   7.216   6.712
  188   3HG1  VAL  25          3HG1      VAL  25  10.451   7.867   8.281
  189   1HG2  VAL  25          1HG2      VAL  25   7.458   7.593   5.880
  190   2HG2  VAL  25          2HG2      VAL  25   8.300   8.801   6.880
  191   3HG2  VAL  25          3HG2      VAL  25   9.134   8.054   5.496
  192    H    ALA  26           H        ALA  26   7.597   3.697   8.120
  193    HA   ALA  26           HA       ALA  26   9.993   2.747   9.361
  194   1HB   ALA  26          1HB       ALA  26   8.556   1.881  10.905
  195   2HB   ALA  26          2HB       ALA  26   7.444   1.248   9.667
  196   3HB   ALA  26          3HB       ALA  26   7.384   2.968  10.121
  197    H    LYS  27           H        LYS  27   7.397   1.199   7.331
  198    HA   LYS  27           HA       LYS  27   8.662  -1.214   6.989
  199   1HB   LYS  27          1HB       LYS  27   6.314  -0.025   6.144
  200   2HB   LYS  27          2HB       LYS  27   7.171  -0.278   4.637
  201   1HG   LYS  27          1HG       LYS  27   7.169  -2.600   4.851
  202   2HG   LYS  27          2HG       LYS  27   7.205  -2.552   6.602
  203   1HD   LYS  27          1HD       LYS  27   4.790  -1.598   6.467
  204   2HD   LYS  27          2HD       LYS  27   4.812  -2.071   4.780
  205   1HE   LYS  27          1HE       LYS  27   5.736  -4.385   5.977
  206   2HE   LYS  27          2HE       LYS  27   4.666  -3.775   7.224
  207    H    THR  28           H        THR  28   8.741   1.643   4.739
  208    HA   THR  28           HA       THR  28  10.429   0.737   2.853
  209    HB   THR  28           HB       THR  28  10.240   3.450   4.248
  210    HG1  THR  28           HG1      THR  28   8.999   3.754   2.213
  211   1HG2  THR  28          1HG2      THR  28  11.630   2.675   1.630
  212   2HG2  THR  28          2HG2      THR  28  11.215   4.343   2.091
  213   3HG2  THR  28          3HG2      THR  28  12.402   3.424   3.047
  214    H    TYR  29           H        TYR  29  11.622   2.386   5.862
  215    HA   TYR  29           HA       TYR  29  14.299   1.745   5.356
  216   1HB   TYR  29          1HB       TYR  29  12.484   2.673   7.589
  217   2HB   TYR  29          2HB       TYR  29  14.020   2.014   8.115
  218    HD1  TYR  29           HD1      TYR  29  12.909   4.301   5.340
  219    HD2  TYR  29           HD2      TYR  29  15.591   3.636   8.606
  220    HE1  TYR  29           HE1      TYR  29  14.032   6.536   4.883
  221    HE2  TYR  29           HE2      TYR  29  16.705   5.873   8.138
  222    HH   TYR  29           HH       TYR  29  16.360   7.869   7.097
  223    H    GLN  30           H        GLN  30  11.730   0.106   7.299
  224    HA   GLN  30           HA       GLN  30  13.347  -1.752   8.494
  225   1HB   GLN  30          1HB       GLN  30  10.952  -1.327   9.057
  226   2HB   GLN  30          2HB       GLN  30  10.463  -2.092   7.558
  227   1HG   GLN  30          1HG       GLN  30  10.511  -4.110   8.585
  228   2HG   GLN  30          2HG       GLN  30  12.237  -3.934   8.832
  229   1HE2  GLN  30          2HE2      GLN  30  12.745  -4.380  10.828
  230   2HE2  GLN  30          1HE2      GLN  30  11.917  -3.876  12.264
  231    H    PHE  31           H        PHE  31  12.489  -1.385   5.149
  232    HA   PHE  31           HA       PHE  31  13.289  -4.155   4.616
  233   1HB   PHE  31          1HB       PHE  31  11.048  -2.836   3.829
  234   2HB   PHE  31          2HB       PHE  31  12.121  -2.190   2.604
  235    HD1  PHE  31           HD1      PHE  31  13.018  -3.620   0.853
  236    HD2  PHE  31           HD2      PHE  31  10.427  -5.190   3.824
  237    HE1  PHE  31           HE1      PHE  31  12.663  -5.676  -0.542
  238    HE2  PHE  31           HE2      PHE  31  10.072  -7.246   2.429
  239    HZ   PHE  31           HZ       PHE  31  11.194  -7.464   0.262
  240    H    LEU  32           H        LEU  32  14.248  -0.813   4.427
  241    HA   LEU  32           HA       LEU  32  16.266  -1.482   2.409
  242   1HB   LEU  32          1HB       LEU  32  15.179   1.169   3.363
  243   2HB   LEU  32          2HB       LEU  32  16.542   1.001   2.275
  244    HG   LEU  32           HG       LEU  32  13.783  -0.090   1.673
  245   1HD1  LEU  32          1HD1      LEU  32  13.663   2.339   1.934
  246   2HD1  LEU  32          2HD1      LEU  32  15.000   2.537   0.777
  247   3HD1  LEU  32          3HD1      LEU  32  13.447   1.856   0.235
  248   1HD2  LEU  32          1HD2      LEU  32  15.660  -1.167   0.481
  249   2HD2  LEU  32          2HD2      LEU  32  14.569  -0.276  -0.609
  250   3HD2  LEU  32          3HD2      LEU  32  16.143   0.423  -0.158
  251    H    PHE  33           H        PHE  33  16.090  -2.148   5.440
  252    HA   PHE  33           HA       PHE  33  18.251  -0.583   6.511
  253   1HB   PHE  33          1HB       PHE  33  16.118  -1.715   7.641
  254   2HB   PHE  33          2HB       PHE  33  17.053  -3.196   7.569
  255    HD1  PHE  33           HD1      PHE  33  18.494  -3.726   9.311
  256    HD2  PHE  33           HD2      PHE  33  17.265   0.306   8.824
  257    HE1  PHE  33           HE1      PHE  33  19.617  -3.123  11.473
  258    HE2  PHE  33           HE2      PHE  33  18.389   0.910  10.986
  259    HZ   PHE  33           HZ       PHE  33  19.552  -0.812  12.284
  260    H    SER  34           H        SER  34  17.677  -4.029   5.524
  261    HA   SER  34           HA       SER  34  20.520  -4.197   5.020
  262   1HB   SER  34          1HB       SER  34  19.660  -5.185   7.373
  263   2HB   SER  34          2HB       SER  34  19.234  -6.558   6.372
  264    HG   SER  34           HG       SER  34  21.286  -7.129   6.446
  265    H    ILE  35           H        ILE  35  19.260  -3.879   2.849
  266    HA   ILE  35           HA       ILE  35  17.637  -5.967   1.903
  267    HB   ILE  35           HB       ILE  35  17.844  -3.562   1.095
  268   1HG1  ILE  35          1HG1      ILE  35  17.921  -5.394  -1.261
  269   2HG1  ILE  35          2HG1      ILE  35  16.734  -5.731  -0.016
  270   1HG2  ILE  35          1HG2      ILE  35  20.238  -4.773  -0.301
  271   2HG2  ILE  35          2HG2      ILE  35  19.416  -3.296  -0.859
  272   3HG2  ILE  35          3HG2      ILE  35  20.181  -3.335   0.747
  273   1HD1  ILE  35          1HD1      ILE  35  16.803  -2.867  -0.573
  274   2HD1  ILE  35          2HD1      ILE  35  16.544  -3.792  -2.071
  275   3HD1  ILE  35          3HD1      ILE  35  15.437  -4.002  -0.693
  276    H    GLY  36           H        GLY  36  21.134  -5.508   2.173
  277   1HA   GLY  36          1HA       GLY  36  22.582  -6.785   0.582
  278   2HA   GLY  36          2HA       GLY  36  21.496  -8.132   0.857
  279    H    ARG  37           H        ARG  37  24.493  -7.321   1.577
  280    HA   ARG  37           HA       ARG  37  24.385  -7.593   4.419
  281   1HB   ARG  37          1HB       ARG  37  24.388  -9.956   3.012
  282   2HB   ARG  37          2HB       ARG  37  26.114  -9.673   3.124
  283   1HG   ARG  37          1HG       ARG  37  26.136  -9.819   5.469
  284   2HG   ARG  37          2HG       ARG  37  24.461  -9.327   5.625
  285   1HD   ARG  37          1HD       ARG  37  23.645 -11.472   5.275
  286   2HD   ARG  37          2HD       ARG  37  24.920 -11.895   4.150
  287    HE   ARG  37           HE       ARG  37  26.245 -11.631   6.584
  288   1HH1  ARG  37          1HH1      ARG  37  26.624 -13.352   8.038
  289   2HH1  ARG  37          2HH1      ARG  37  25.582 -14.736   8.032
  290   1HH2  ARG  37          1HH2      ARG  37  23.516 -13.537   5.444
  291   2HH2  ARG  37          2HH2      ARG  37  23.803 -14.842   6.546
  292    H    CYS  38           H        CYS  38  25.309  -5.383   3.227
  293    HA   CYS  38           HA       CYS  38  27.960  -5.224   3.986
  294   1HB   CYS  38          1HB       CYS  38  27.604  -6.117   1.206
  295   2HB   CYS  38          2HB       CYS  38  28.583  -4.670   1.348
  296    HG   CYS  38           HG       CYS  38  30.489  -5.542   2.571
  297    HA   PRO  39           HA       PRO  39  25.458  -1.471   3.239
  298   1HB   PRO  39          1HB       PRO  39  25.196  -0.649   5.832
  299   2HB   PRO  39          2HB       PRO  39  23.984  -1.606   5.003
  300   1HG   PRO  39          1HG       PRO  39  25.932  -2.457   7.057
  301   2HG   PRO  39          2HG       PRO  39  24.464  -3.261   6.535
  302   1HD   PRO  39          1HD       PRO  39  27.153  -3.968   5.828
  303   2HD   PRO  39          2HD       PRO  39  25.682  -4.697   5.216
  304    H    ILE  40           H        ILE  40  27.012  -0.381   2.119
  305    HA   ILE  40           HA       ILE  40  28.879   1.005   3.908
  306    HB   ILE  40           HB       ILE  40  29.506  -0.204   1.212
  307   1HG1  ILE  40          1HG1      ILE  40  30.800  -0.951   3.827
  308   2HG1  ILE  40          2HG1      ILE  40  29.292  -1.698   3.337
  309   1HG2  ILE  40          1HG2      ILE  40  30.875   1.823   2.882
  310   2HG2  ILE  40          2HG2      ILE  40  31.899   0.520   2.232
  311   3HG2  ILE  40          3HG2      ILE  40  30.940   1.534   1.127
  312   1HD1  ILE  40          1HD1      ILE  40  31.129  -1.659   1.080
  313   2HD1  ILE  40          2HD1      ILE  40  31.911  -2.403   2.496
  314   3HD1  ILE  40          3HD1      ILE  40  30.372  -3.055   1.883
  315    H    LEU  41           H        LEU  41  26.381   2.051   3.292
  316    HA   LEU  41           HA       LEU  41  25.297   3.664   2.191
  317   1HB   LEU  41          1HB       LEU  41  27.772   4.632   3.309
  318   2HB   LEU  41          2HB       LEU  41  27.320   5.600   1.920
  319    HG   LEU  41           HG       LEU  41  26.473   6.564   3.991
  320   1HD1  LEU  41          1HD1      LEU  41  24.380   5.493   2.090
  321   2HD1  LEU  41          2HD1      LEU  41  24.026   6.680   3.368
  322   3HD1  LEU  41          3HD1      LEU  41  25.180   7.083   2.074
  323   1HD2  LEU  41          1HD2      LEU  41  26.273   4.529   5.322
  324   2HD2  LEU  41          2HD2      LEU  41  24.749   5.450   5.327
  325   3HD2  LEU  41          3HD2      LEU  41  24.904   3.992   4.318
  326    H    ALA  42           H        ALA  42  25.409   1.991   0.288
  327    HA   ALA  42           HA       ALA  42  25.733   1.549  -1.867
  328   1HB   ALA  42          1HB       ALA  42  24.182   3.342  -2.157
  329   2HB   ALA  42          2HB       ALA  42  25.470   3.615  -3.355
  330   3HB   ALA  42          3HB       ALA  42  25.434   4.571  -1.854
  331    H    THR  43           H        THR  43  27.783   0.598  -1.950
  332    HA   THR  43           HA       THR  43  30.200   1.866  -1.661
  333    HB   THR  43           HB       THR  43  29.356  -0.510  -3.401
  334    HG1  THR  43           HG1      THR  43  30.424  -0.031  -0.709
  335   1HG2  THR  43          1HG2      THR  43  31.698   0.380  -3.928
  336   2HG2  THR  43          2HG2      THR  43  32.100   0.139  -2.210
  337   3HG2  THR  43          3HG2      THR  43  31.679  -1.257  -3.230
  338    H    GLN  44           H        GLN  44  28.704   1.062  -4.872
  339    HA   GLN  44           HA       GLN  44  28.947   3.559  -5.918
  340   1HB   GLN  44          1HB       GLN  44  31.520   2.588  -5.518
  341   2HB   GLN  44          2HB       GLN  44  31.228   2.166  -7.193
  342   1HG   GLN  44          1HG       GLN  44  30.670   4.489  -7.751
  343   2HG   GLN  44          2HG       GLN  44  30.722   4.956  -6.063
  344   1HE2  GLN  44          2HE2      GLN  44  32.643   5.253  -5.020
  345   2HE2  GLN  44          1HE2      GLN  44  34.182   5.308  -5.811
  346    H    GLY  45           H        GLY  45  26.961   1.839  -6.184
  347   1HA   GLY  45          1HA       GLY  45  26.124   0.058  -7.525
  348   2HA   GLY  45          2HA       GLY  45  27.346   0.404  -8.733
  349    HA   PRO  46           HA       PRO  46  24.539   3.062 -10.696
  350   1HB   PRO  46          1HB       PRO  46  23.209   1.412 -12.422
  351   2HB   PRO  46          2HB       PRO  46  24.821   2.024 -12.732
  352   1HG   PRO  46          1HG       PRO  46  23.999  -0.688 -11.890
  353   2HG   PRO  46          2HG       PRO  46  25.513  -0.172 -12.606
  354   1HD   PRO  46          1HD       PRO  46  25.043  -0.789  -9.845
  355   2HD   PRO  46          2HD       PRO  46  26.524  -0.163 -10.541
  356    H    THR  47           H        THR  47  22.177   3.511 -11.359
  357    HA   THR  47           HA       THR  47  20.595   2.596  -9.053
  358    HB   THR  47           HB       THR  47  20.582   5.116 -10.782
  359    HG1  THR  47           HG1      THR  47  21.069   5.957  -8.639
  360   1HG2  THR  47          1HG2      THR  47  18.575   4.117  -8.703
  361   2HG2  THR  47          2HG2      THR  47  18.779   5.844  -9.083
  362   3HG2  THR  47          3HG2      THR  47  18.227   4.715 -10.343
  363    H    CYS  48           H        CYS  48  20.244   0.522 -10.192
  364    HA   CYS  48           HA       CYS  48  18.647  -0.749 -11.079
  365   1HB   CYS  48          1HB       CYS  48  17.244   1.615 -10.983
  366   2HB   CYS  48          2HB       CYS  48  17.222   1.265 -12.700
  367    HG   CYS  48           HG       CYS  48  15.263  -0.063 -12.407
  368    H    SER  49           H        SER  49  19.307   2.003 -13.383
  369    HA   SER  49           HA       SER  49  20.028   2.037 -15.434
  370   1HB   SER  49          1HB       SER  49  22.110   1.298 -14.148
  371   2HB   SER  49          2HB       SER  49  21.778  -0.340 -14.673
  372    HG   SER  49           HG       SER  49  22.684   1.899 -16.175

  No H/Q in entry =         372
  Start of MODEL   26
    1    H    MET   1           H        MET   1 -37.481   3.771  19.891
    2    HA   MET   1           HA       MET   1 -35.785   1.914  18.425
    3   1HB   MET   1          1HB       MET   1 -38.589   2.483  18.398
    4   2HB   MET   1          2HB       MET   1 -37.976   3.151  16.898
    5   1HG   MET   1          1HG       MET   1 -37.242   1.053  16.097
    6   2HG   MET   1          2HG       MET   1 -37.096   0.370  17.704
    7   1HE   MET   1          1HE       MET   1 -37.925  -1.504  16.500
    8   2HE   MET   1          2HE       MET   1 -39.595  -2.022  16.834
    9   3HE   MET   1          3HE       MET   1 -39.180  -1.322  15.252
   10    H    VAL   2           H        VAL   2 -36.118   5.213  19.192
   11    HA   VAL   2           HA       VAL   2 -35.221   6.166  16.606
   12    HB   VAL   2           HB       VAL   2 -35.893   7.505  19.229
   13   1HG1  VAL   2          1HG1      VAL   2 -34.424   8.524  16.886
   14   2HG1  VAL   2          2HG1      VAL   2 -35.817   9.522  17.368
   15   3HG1  VAL   2          3HG1      VAL   2 -34.531   9.163  18.544
   16   1HG2  VAL   2          1HG2      VAL   2 -37.454   6.655  16.979
   17   2HG2  VAL   2          2HG2      VAL   2 -37.984   7.488  18.460
   18   3HG2  VAL   2          3HG2      VAL   2 -37.464   8.433  17.044
   19    H    ALA   3           H        ALA   3 -33.161   7.087  16.208
   20    HA   ALA   3           HA       ALA   3 -31.001   7.533  16.555
   21   1HB   ALA   3          1HB       ALA   3 -31.852   8.109  18.963
   22   2HB   ALA   3          2HB       ALA   3 -30.114   7.825  18.704
   23   3HB   ALA   3          3HB       ALA   3 -31.130   6.543  19.407
   24    H    ALA   4           H        ALA   4 -29.234   6.287  15.971
   25    HA   ALA   4           HA       ALA   4 -29.072   3.558  16.885
   26   1HB   ALA   4          1HB       ALA   4 -29.573   4.247  13.961
   27   2HB   ALA   4          2HB       ALA   4 -29.067   2.648  14.560
   28   3HB   ALA   4          3HB       ALA   4 -30.647   3.317  15.034
   29    H    ALA   5           H        ALA   5 -27.103   4.332  17.827
   30    HA   ALA   5           HA       ALA   5 -25.181   5.816  16.547
   31   1HB   ALA   5          1HB       ALA   5 -24.311   5.557  18.600
   32   2HB   ALA   5          2HB       ALA   5 -25.478   4.256  18.942
   33   3HB   ALA   5          3HB       ALA   5 -23.903   3.869  18.208
   34    H    MET   6           H        MET   6 -25.251   2.189  16.871
   35    HA   MET   6           HA       MET   6 -24.382   0.611  15.653
   36   1HB   MET   6          1HB       MET   6 -24.835   2.658  13.412
   37   2HB   MET   6          2HB       MET   6 -24.440   0.978  13.110
   38   1HG   MET   6          1HG       MET   6 -26.738   1.448  14.975
   39   2HG   MET   6          2HG       MET   6 -27.008   1.920  13.309
   40   1HE   MET   6          1HE       MET   6 -26.396  -0.594  15.869
   41   2HE   MET   6          2HE       MET   6 -26.622  -2.190  15.113
   42   3HE   MET   6          3HE       MET   6 -25.047  -1.368  15.003
   43    H    LEU   7           H        LEU   7 -22.320   1.157  16.888
   44    HA   LEU   7           HA       LEU   7 -20.306   2.477  15.270
   45   1HB   LEU   7          1HB       LEU   7 -20.399   3.119  17.557
   46   2HB   LEU   7          2HB       LEU   7 -20.381   1.454  18.103
   47    HG   LEU   7           HG       LEU   7 -18.026   1.634  16.663
   48   1HD1  LEU   7          1HD1      LEU   7 -18.648   4.208  16.741
   49   2HD1  LEU   7          2HD1      LEU   7 -17.929   4.086  18.364
   50   3HD1  LEU   7          3HD1      LEU   7 -16.972   3.640  16.931
   51   1HD2  LEU   7          1HD2      LEU   7 -18.777   0.828  19.122
   52   2HD2  LEU   7          2HD2      LEU   7 -17.080   0.994  18.611
   53   3HD2  LEU   7          3HD2      LEU   7 -17.858   2.292  19.549
   54    H    LEU   8           H        LEU   8 -21.516  -0.713  16.036
   55    HA   LEU   8           HA       LEU   8 -19.045  -2.025  15.366
   56   1HB   LEU   8          1HB       LEU   8 -21.665  -2.740  16.463
   57   2HB   LEU   8          2HB       LEU   8 -21.034  -3.928  15.341
   58    HG   LEU   8           HG       LEU   8 -18.830  -3.639  16.806
   59   1HD1  LEU   8          1HD1      LEU   8 -20.550  -1.968  18.204
   60   2HD1  LEU   8          2HD1      LEU   8 -20.541  -3.471  19.157
   61   3HD1  LEU   8          3HD1      LEU   8 -19.010  -2.643  18.789
   62   1HD2  LEU   8          1HD2      LEU   8 -20.431  -5.652  16.395
   63   2HD2  LEU   8          2HD2      LEU   8 -19.314  -5.677  17.781
   64   3HD2  LEU   8          3HD2      LEU   8 -21.030  -5.277  18.029
   65    H    ARG   9           H        ARG   9 -19.324  -0.404  13.300
   66    HA   ARG   9           HA       ARG   9 -19.656  -2.181  11.179
   67   1HB   ARG   9          1HB       ARG   9 -21.532  -1.019   9.995
   68   2HB   ARG   9          2HB       ARG   9 -22.066  -1.749  11.496
   69   1HG   ARG   9          1HG       ARG   9 -22.579   0.271  12.437
   70   2HG   ARG   9          2HG       ARG   9 -21.091   1.012  11.883
   71   1HD   ARG   9          1HD       ARG   9 -22.412   2.178  10.429
   72   2HD   ARG   9          2HD       ARG   9 -22.467   0.698   9.492
   73    HE   ARG   9           HE       ARG   9 -24.609   1.770  11.212
   74   1HH1  ARG   9          1HH1      ARG   9 -26.650   0.750  11.082
   75   2HH1  ARG   9          2HH1      ARG   9 -26.805  -0.776  10.278
   76   1HH2  ARG   9          1HH2      ARG   9 -23.394  -1.012   9.433
   77   2HH2  ARG   9          2HH2      ARG   9 -24.940  -1.785   9.334
   78    H    SER  10           H        SER  10 -17.530  -0.601  12.081
   79    HA   SER  10           HA       SER  10 -17.002   0.903   9.764
   80   1HB   SER  10          1HB       SER  10 -18.321   2.356  11.760
   81   2HB   SER  10          2HB       SER  10 -16.634   2.738  12.046
   82    HG   SER  10           HG       SER  10 -17.763   4.166  10.487
   83    H    CYS  11           H        CYS  11 -15.746  -1.324  10.762
   84    HA   CYS  11           HA       CYS  11 -13.710  -0.751  12.612
   85   1HB   CYS  11          1HB       CYS  11 -12.809  -2.920  12.024
   86   2HB   CYS  11          2HB       CYS  11 -14.551  -3.033  12.169
   87    HG   CYS  11           HG       CYS  11 -14.971  -3.923  10.023
   88    HA   PRO  12           HA       PRO  12 -10.841   1.143   9.935
   89   1HB   PRO  12          1HB       PRO  12  -8.479   0.634  11.211
   90   2HB   PRO  12          2HB       PRO  12  -9.576   1.910  11.699
   91   1HG   PRO  12          1HG       PRO  12  -9.091  -0.709  12.982
   92   2HG   PRO  12          2HG       PRO  12  -9.839   0.723  13.660
   93   1HD   PRO  12          1HD       PRO  12 -11.178  -1.644  12.751
   94   2HD   PRO  12          2HD       PRO  12 -11.931  -0.168  13.320
   95    H    VAL  13           H        VAL  13  -8.617   0.815   8.755
   96    HA   VAL  13           HA       VAL  13  -8.049  -1.912   8.189
   97    HB   VAL  13           HB       VAL  13 -10.172  -1.635   6.968
   98   1HG1  VAL  13          1HG1      VAL  13  -8.666   0.497   5.415
   99   2HG1  VAL  13          2HG1      VAL  13 -10.252  -0.177   4.970
  100   3HG1  VAL  13          3HG1      VAL  13 -10.071   0.751   6.478
  101   1HG2  VAL  13          1HG2      VAL  13  -7.900  -2.865   6.127
  102   2HG2  VAL  13          2HG2      VAL  13  -9.460  -2.959   5.275
  103   3HG2  VAL  13          3HG2      VAL  13  -8.223  -1.796   4.741
  104    H    LEU  14           H        LEU  14  -7.935   1.534   7.105
  105    HA   LEU  14           HA       LEU  14  -5.068   1.405   7.142
  106   1HB   LEU  14          1HB       LEU  14  -4.810   2.166   4.809
  107   2HB   LEU  14          2HB       LEU  14  -5.346   0.506   4.972
  108    HG   LEU  14           HG       LEU  14  -7.685   2.112   4.748
  109   1HD1  LEU  14          1HD1      LEU  14  -5.972   3.774   3.791
  110   2HD1  LEU  14          2HD1      LEU  14  -5.868   2.658   2.407
  111   3HD1  LEU  14          3HD1      LEU  14  -7.424   3.413   2.827
  112   1HD2  LEU  14          1HD2      LEU  14  -7.086  -0.307   4.006
  113   2HD2  LEU  14          2HD2      LEU  14  -8.241   0.647   3.044
  114   3HD2  LEU  14          3HD2      LEU  14  -6.556   0.473   2.496
  115    H    SER  15           H        SER  15  -5.659   2.881   8.919
  116    HA   SER  15           HA       SER  15  -5.940   5.546   7.841
  117   1HB   SER  15          1HB       SER  15  -7.661   6.198   9.430
  118   2HB   SER  15          2HB       SER  15  -8.236   4.809   8.530
  119    HG   SER  15           HG       SER  15  -8.103   3.527  10.299
  120    H    GLN  16           H        GLN  16  -3.610   5.560   8.354
  121    HA   GLN  16           HA       GLN  16  -1.957   6.230   9.604
  122   1HB   GLN  16          1HB       GLN  16  -4.094   7.360  10.934
  123   2HB   GLN  16          2HB       GLN  16  -3.371   6.407  12.214
  124   1HG   GLN  16          1HG       GLN  16  -1.389   7.901  10.581
  125   2HG   GLN  16          2HG       GLN  16  -2.525   8.935  11.424
  126   1HE2  GLN  16          2HE2      GLN  16  -1.330   9.731  13.020
  127   2HE2  GLN  16          1HE2      GLN  16  -0.531   8.814  14.253
  128    H    GLY  17           H        GLY  17  -2.213   3.539   9.137
  129   1HA   GLY  17          1HA       GLY  17  -2.457   1.608  10.877
  130   2HA   GLY  17          2HA       GLY  17  -1.064   2.403  11.583
  131    HA   PRO  18           HA       PRO  18   0.134  -0.311   7.977
  132   1HB   PRO  18          1HB       PRO  18  -1.463  -0.613   5.781
  133   2HB   PRO  18          2HB       PRO  18  -1.561  -1.654   7.187
  134   1HG   PRO  18          1HG       PRO  18  -3.395   0.508   6.350
  135   2HG   PRO  18          2HG       PRO  18  -3.683  -0.799   7.481
  136   1HD   PRO  18          1HD       PRO  18  -3.139   1.942   8.128
  137   2HD   PRO  18          2HD       PRO  18  -3.312   0.612   9.257
  138    H    THR  19           H        THR  19  -1.622   2.297   6.369
  139    HA   THR  19           HA       THR  19   0.945   3.322   5.464
  140    HB   THR  19           HB       THR  19  -0.109   3.480   3.093
  141    HG1  THR  19           HG1      THR  19  -2.138   2.602   3.059
  142   1HG2  THR  19          1HG2      THR  19   1.459   1.476   4.183
  143   2HG2  THR  19          2HG2      THR  19   0.022   0.556   3.677
  144   3HG2  THR  19          3HG2      THR  19   0.933   1.510   2.483
  145    H    GLY  20           H        GLY  20   0.547   4.988   6.997
  146   1HA   GLY  20          1HA       GLY  20  -1.566   6.474   7.543
  147   2HA   GLY  20          2HA       GLY  20  -1.231   7.037   5.918
  148    H    LEU  21           H        LEU  21   1.210   7.609   5.489
  149    HA   LEU  21           HA       LEU  21   3.110   8.627   6.082
  150   1HB   LEU  21          1HB       LEU  21   0.926  10.309   7.284
  151   2HB   LEU  21          2HB       LEU  21   2.604  10.811   7.347
  152    HG   LEU  21           HG       LEU  21   2.427  10.300   4.709
  153   1HD1  LEU  21          1HD1      LEU  21  -0.382  11.012   5.579
  154   2HD1  LEU  21          2HD1      LEU  21   0.226  11.240   3.922
  155   3HD1  LEU  21          3HD1      LEU  21   0.155   9.607   4.626
  156   1HD2  LEU  21          1HD2      LEU  21   2.594  12.558   6.367
  157   2HD2  LEU  21          2HD2      LEU  21   2.963  12.452   4.629
  158   3HD2  LEU  21          3HD2      LEU  21   1.336  12.936   5.165
  159    H    LEU  22           H        LEU  22   3.566   6.552   7.395
  160    HA   LEU  22           HA       LEU  22   4.809   7.288   9.758
  161   1HB   LEU  22          1HB       LEU  22   3.417   6.917  11.449
  162   2HB   LEU  22          2HB       LEU  22   2.166   7.223  10.260
  163    HG   LEU  22           HG       LEU  22   2.384   4.590   9.880
  164   1HD1  LEU  22          1HD1      LEU  22   3.923   5.074  12.297
  165   2HD1  LEU  22          2HD1      LEU  22   2.556   3.971  12.591
  166   3HD1  LEU  22          3HD1      LEU  22   3.749   3.593  11.325
  167   1HD2  LEU  22          1HD2      LEU  22   0.363   5.894  10.519
  168   2HD2  LEU  22          2HD2      LEU  22   0.460   4.292  11.290
  169   3HD2  LEU  22          3HD2      LEU  22   0.858   5.754  12.223
  170    H    GLY  23           H        GLY  23   3.163   4.747   7.833
  171   1HA   GLY  23          1HA       GLY  23   3.702   2.554   7.531
  172   2HA   GLY  23          2HA       GLY  23   4.935   2.670   8.770
  173    H    LYS  24           H        LYS  24   4.997   5.196   6.348
  174    HA   LYS  24           HA       LYS  24   6.689   3.767   4.532
  175   1HB   LYS  24          1HB       LYS  24   5.054   6.022   4.405
  176   2HB   LYS  24          2HB       LYS  24   6.674   6.678   4.286
  177   1HG   LYS  24          1HG       LYS  24   6.163   6.167   2.039
  178   2HG   LYS  24          2HG       LYS  24   7.108   4.778   2.538
  179   1HD   LYS  24          1HD       LYS  24   5.245   3.354   2.623
  180   2HD   LYS  24          2HD       LYS  24   4.122   4.661   2.944
  181   1HE   LYS  24          1HE       LYS  24   5.550   4.735   0.300
  182   2HE   LYS  24          2HE       LYS  24   4.345   3.479   0.506
  183    H    VAL  25           H        VAL  25   7.078   5.318   7.577
  184    HA   VAL  25           HA       VAL  25   9.946   5.662   7.036
  185    HB   VAL  25           HB       VAL  25   8.049   7.051   8.922
  186   1HG1  VAL  25          1HG1      VAL  25  11.083   7.062   8.952
  187   2HG1  VAL  25          2HG1      VAL  25  10.073   8.280   9.769
  188   3HG1  VAL  25          3HG1      VAL  25   9.983   6.572  10.263
  189   1HG2  VAL  25          1HG2      VAL  25   8.445   7.761   6.455
  190   2HG2  VAL  25          2HG2      VAL  25   8.517   9.002   7.729
  191   3HG2  VAL  25          3HG2      VAL  25  10.021   8.343   7.042
  192    H    ALA  26           H        ALA  26   7.554   3.705   8.490
  193    HA   ALA  26           HA       ALA  26   9.616   2.506  10.202
  194   1HB   ALA  26          1HB       ALA  26   7.543   1.909  11.683
  195   2HB   ALA  26          2HB       ALA  26   8.243   3.542  11.795
  196   3HB   ALA  26          3HB       ALA  26   6.764   3.271  10.842
  197    H    LYS  27           H        LYS  27   9.260   1.764   7.538
  198    HA   LYS  27           HA       LYS  27   8.630  -0.960   7.840
  199   1HB   LYS  27          1HB       LYS  27   6.324   0.384   7.640
  200   2HB   LYS  27          2HB       LYS  27   6.694   0.274   5.931
  201   1HG   LYS  27          1HG       LYS  27   7.261  -2.301   6.728
  202   2HG   LYS  27          2HG       LYS  27   5.990  -1.891   7.863
  203   1HD   LYS  27          1HD       LYS  27   4.370  -1.898   6.246
  204   2HD   LYS  27          2HD       LYS  27   5.371  -1.022   5.104
  205   1HE   LYS  27          1HE       LYS  27   4.952  -3.246   4.194
  206   2HE   LYS  27          2HE       LYS  27   6.646  -3.148   4.631
  207    H    THR  28           H        THR  28   8.977   1.887   5.663
  208    HA   THR  28           HA       THR  28   9.915   0.410   3.451
  209    HB   THR  28           HB       THR  28  10.224   3.332   4.316
  210    HG1  THR  28           HG1      THR  28   8.067   2.163   3.872
  211   1HG2  THR  28          1HG2      THR  28  11.039   1.828   1.836
  212   2HG2  THR  28          2HG2      THR  28  10.208   3.384   1.601
  213   3HG2  THR  28          3HG2      THR  28  11.726   3.318   2.527
  214    H    TYR  29           H        TYR  29  11.596   2.043   6.191
  215    HA   TYR  29           HA       TYR  29  14.180   1.534   5.205
  216   1HB   TYR  29          1HB       TYR  29  12.980   2.983   7.215
  217   2HB   TYR  29          2HB       TYR  29  13.470   1.590   8.159
  218    HD1  TYR  29           HD1      TYR  29  16.088   0.880   7.081
  219    HD2  TYR  29           HD2      TYR  29  14.392   4.749   7.761
  220    HE1  TYR  29           HE1      TYR  29  18.418   1.868   7.319
  221    HE2  TYR  29           HE2      TYR  29  16.728   5.723   7.996
  222    HH   TYR  29           HH       TYR  29  19.454   4.131   6.988
  223    H    GLN  30           H        GLN  30  11.899  -0.336   7.253
  224    HA   GLN  30           HA       GLN  30  13.684  -2.172   8.224
  225   1HB   GLN  30          1HB       GLN  30  11.017  -1.751   8.506
  226   2HB   GLN  30          2HB       GLN  30  10.958  -3.144   7.445
  227   1HG   GLN  30          1HG       GLN  30  12.875  -3.967   9.247
  228   2HG   GLN  30          2HG       GLN  30  11.883  -2.954  10.277
  229   1HE2  GLN  30          2HE2      GLN  30  11.822  -5.634   7.981
  230   2HE2  GLN  30          1HE2      GLN  30  10.418  -6.439   8.599
  231    H    PHE  31           H        PHE  31  12.647  -1.621   4.968
  232    HA   PHE  31           HA       PHE  31  13.513  -4.315   4.201
  233   1HB   PHE  31          1HB       PHE  31  11.179  -3.293   3.596
  234   2HB   PHE  31          2HB       PHE  31  12.045  -2.149   2.589
  235    HD1  PHE  31           HD1      PHE  31  13.469  -3.065   0.686
  236    HD2  PHE  31           HD2      PHE  31  10.641  -5.431   2.787
  237    HE1  PHE  31           HE1      PHE  31  13.432  -4.707  -1.212
  238    HE2  PHE  31           HE2      PHE  31  10.603  -7.072   0.888
  239    HZ   PHE  31           HZ       PHE  31  11.999  -6.691  -1.089
  240    H    LEU  32           H        LEU  32  14.186  -0.852   4.006
  241    HA   LEU  32           HA       LEU  32  16.206  -1.354   1.952
  242   1HB   LEU  32          1HB       LEU  32  15.114   1.241   3.050
  243   2HB   LEU  32          2HB       LEU  32  16.302   1.089   1.770
  244    HG   LEU  32           HG       LEU  32  13.457   0.052   1.627
  245   1HD1  LEU  32          1HD1      LEU  32  14.642   2.689   1.047
  246   2HD1  LEU  32          2HD1      LEU  32  13.624   2.017  -0.250
  247   3HD1  LEU  32          3HD1      LEU  32  12.957   2.227   1.387
  248   1HD2  LEU  32          1HD2      LEU  32  14.995  -1.255   0.255
  249   2HD2  LEU  32          2HD2      LEU  32  13.910  -0.274  -0.759
  250   3HD2  LEU  32          3HD2      LEU  32  15.598   0.234  -0.512
  251    H    PHE  33           H        PHE  33  16.309  -2.264   4.844
  252    HA   PHE  33           HA       PHE  33  18.483  -0.583   5.818
  253   1HB   PHE  33          1HB       PHE  33  16.652  -1.186   7.380
  254   2HB   PHE  33          2HB       PHE  33  16.765  -2.875   6.929
  255    HD1  PHE  33           HD1      PHE  33  17.663  -4.215   8.560
  256    HD2  PHE  33           HD2      PHE  33  19.147  -0.260   8.154
  257    HE1  PHE  33           HE1      PHE  33  19.252  -4.616  10.461
  258    HE2  PHE  33           HE2      PHE  33  20.736  -0.661  10.055
  259    HZ   PHE  33           HZ       PHE  33  20.770  -2.834  11.186
  260    H    SER  34           H        SER  34  17.726  -3.845   4.573
  261    HA   SER  34           HA       SER  34  20.136  -5.007   5.362
  262   1HB   SER  34          1HB       SER  34  19.537  -6.694   3.514
  263   2HB   SER  34          2HB       SER  34  18.362  -6.486   4.797
  264    HG   SER  34           HG       SER  34  17.804  -6.345   2.275
  265    H    ILE  35           H        ILE  35  19.001  -3.847   2.096
  266    HA   ILE  35           HA       ILE  35  21.288  -4.202   0.692
  267    HB   ILE  35           HB       ILE  35  20.469  -2.003  -0.490
  268   1HG1  ILE  35          1HG1      ILE  35  17.803  -2.579   0.617
  269   2HG1  ILE  35          2HG1      ILE  35  18.898  -1.838   1.768
  270   1HG2  ILE  35          1HG2      ILE  35  20.268  -4.392  -1.250
  271   2HG2  ILE  35          2HG2      ILE  35  18.681  -4.444  -0.445
  272   3HG2  ILE  35          3HG2      ILE  35  18.961  -3.310  -1.788
  273   1HD1  ILE  35          1HD1      ILE  35  18.975  -0.629  -0.952
  274   2HD1  ILE  35          2HD1      ILE  35  17.433  -0.436  -0.084
  275   3HD1  ILE  35          3HD1      ILE  35  18.945   0.159   0.644
  276    H    GLY  36           H        GLY  36  20.608  -0.771   1.371
  277   1HA   GLY  36          1HA       GLY  36  22.517  -0.167   3.246
  278   2HA   GLY  36          2HA       GLY  36  21.988   0.904   1.964
  279    H    ARG  37           H        ARG  37  24.733   0.106   3.290
  280    HA   ARG  37           HA       ARG  37  26.132  -0.924   1.030
  281   1HB   ARG  37          1HB       ARG  37  26.086   1.988   1.686
  282   2HB   ARG  37          2HB       ARG  37  27.693   1.327   1.460
  283   1HG   ARG  37          1HG       ARG  37  25.670   0.488  -0.577
  284   2HG   ARG  37          2HG       ARG  37  26.086   2.190  -0.594
  285   1HD   ARG  37          1HD       ARG  37  28.441   1.710  -0.929
  286   2HD   ARG  37          2HD       ARG  37  28.219   0.010  -0.568
  287    HE   ARG  37           HE       ARG  37  27.544   1.373  -3.096
  288   1HH1  ARG  37          1HH1      ARG  37  26.976   0.045  -4.867
  289   2HH1  ARG  37          2HH1      ARG  37  26.633  -1.634  -4.615
  290   1HH2  ARG  37          1HH2      ARG  37  27.181  -1.527  -1.137
  291   2HH2  ARG  37          2HH2      ARG  37  26.751  -2.534  -2.479
  292    H    CYS  38           H        CYS  38  26.241   0.753   4.233
  293    HA   CYS  38           HA       CYS  38  28.728   0.251   5.072
  294   1HB   CYS  38          1HB       CYS  38  26.331   0.987   6.285
  295   2HB   CYS  38          2HB       CYS  38  26.800  -0.458   7.159
  296    HG   CYS  38           HG       CYS  38  29.492   0.599   6.979
  297    HA   PRO  39           HA       PRO  39  27.491  -4.223   6.094
  298   1HB   PRO  39          1HB       PRO  39  25.053  -5.188   5.323
  299   2HB   PRO  39          2HB       PRO  39  25.368  -4.549   6.924
  300   1HG   PRO  39          1HG       PRO  39  23.893  -3.301   4.687
  301   2HG   PRO  39          2HG       PRO  39  23.859  -2.888   6.390
  302   1HD   PRO  39          1HD       PRO  39  25.238  -1.476   4.309
  303   2HD   PRO  39          2HD       PRO  39  25.298  -1.132   6.026
  304    H    ILE  40           H        ILE  40  26.647  -6.415   4.742
  305    HA   ILE  40           HA       ILE  40  27.407  -7.637   3.047
  306    HB   ILE  40           HB       ILE  40  26.369  -5.409   1.307
  307   1HG1  ILE  40          1HG1      ILE  40  24.800  -5.760   3.178
  308   2HG1  ILE  40          2HG1      ILE  40  24.125  -6.234   1.633
  309   1HG2  ILE  40          1HG2      ILE  40  27.489  -7.718   0.542
  310   2HG2  ILE  40          2HG2      ILE  40  25.819  -8.283   0.787
  311   3HG2  ILE  40          3HG2      ILE  40  26.150  -6.948  -0.342
  312   1HD1  ILE  40          1HD1      ILE  40  25.497  -8.515   2.774
  313   2HD1  ILE  40          2HD1      ILE  40  24.387  -7.831   3.985
  314   3HD1  ILE  40          3HD1      ILE  40  23.768  -8.334   2.393
  315    H    LEU  41           H        LEU  41  29.509  -6.301   4.227
  316    HA   LEU  41           HA       LEU  41  31.250  -5.995   1.935
  317   1HB   LEU  41          1HB       LEU  41  30.255  -3.721   2.611
  318   2HB   LEU  41          2HB       LEU  41  31.257  -3.850   4.043
  319    HG   LEU  41           HG       LEU  41  33.270  -4.037   2.588
  320   1HD1  LEU  41          1HD1      LEU  41  31.230  -3.669   0.394
  321   2HD1  LEU  41          2HD1      LEU  41  32.949  -3.258   0.180
  322   3HD1  LEU  41          3HD1      LEU  41  32.475  -4.930   0.565
  323   1HD2  LEU  41          1HD2      LEU  41  32.091  -1.834   3.481
  324   2HD2  LEU  41          2HD2      LEU  41  33.536  -1.778   2.444
  325   3HD2  LEU  41          3HD2      LEU  41  31.923  -1.513   1.739
  326    H    ALA  42           H        ALA  42  31.217  -5.443   5.532
  327    HA   ALA  42           HA       ALA  42  32.612  -7.796   6.103
  328   1HB   ALA  42          1HB       ALA  42  34.726  -7.252   5.563
  329   2HB   ALA  42          2HB       ALA  42  34.240  -5.598   5.123
  330   3HB   ALA  42          3HB       ALA  42  34.660  -5.983   6.809
  331    H    THR  43           H        THR  43  30.564  -7.387   7.430
  332    HA   THR  43           HA       THR  43  30.958  -5.442   9.564
  333    HB   THR  43           HB       THR  43  28.756  -5.526   8.482
  334    HG1  THR  43           HG1      THR  43  28.716  -7.067  10.974
  335   1HG2  THR  43          1HG2      THR  43  29.168  -8.469   8.792
  336   2HG2  THR  43          2HG2      THR  43  27.551  -7.889   9.257
  337   3HG2  THR  43          3HG2      THR  43  28.166  -7.587   7.614
  338    H    GLN  44           H        GLN  44  31.908  -8.605   8.892
  339    HA   GLN  44           HA       GLN  44  32.705  -8.956  11.566
  340   1HB   GLN  44          1HB       GLN  44  31.461 -11.029  12.064
  341   2HB   GLN  44          2HB       GLN  44  30.361  -9.684  11.839
  342   1HG   GLN  44          1HG       GLN  44  29.405 -10.618   9.983
  343   2HG   GLN  44          2HG       GLN  44  30.953 -11.084   9.305
  344   1HE2  GLN  44          2HE2      GLN  44  28.199 -12.037  11.103
  345   2HE2  GLN  44          1HE2      GLN  44  28.601 -13.701  11.368
  346    H    GLY  45           H        GLY  45  34.275  -8.716   9.384
  347   1HA   GLY  45          1HA       GLY  45  35.165 -10.171   7.603
  348   2HA   GLY  45          2HA       GLY  45  35.070 -11.495   8.747
  349    HA   PRO  46           HA       PRO  46  38.531  -9.641  10.935
  350   1HB   PRO  46          1HB       PRO  46  39.264 -11.870  12.336
  351   2HB   PRO  46          2HB       PRO  46  38.161 -10.663  12.965
  352   1HG   PRO  46          1HG       PRO  46  37.555 -13.362  11.924
  353   2HG   PRO  46          2HG       PRO  46  36.563 -12.325  12.930
  354   1HD   PRO  46          1HD       PRO  46  36.252 -12.796  10.118
  355   2HD   PRO  46          2HD       PRO  46  35.334 -11.672  11.100
  356    H    THR  47           H        THR  47  40.425  -9.283   9.971
  357    HA   THR  47           HA       THR  47  41.645 -11.635   8.721
  358    HB   THR  47           HB       THR  47  42.057 -10.253   6.668
  359    HG1  THR  47           HG1      THR  47  40.220  -8.462   8.093
  360   1HG2  THR  47          1HG2      THR  47  39.106 -10.197   7.492
  361   2HG2  THR  47          2HG2      THR  47  39.732 -10.084   5.830
  362   3HG2  THR  47          3HG2      THR  47  39.919 -11.596   6.751
  363    H    CYS  48           H        CYS  48  43.827 -11.773   8.948
  364    HA   CYS  48           HA       CYS  48  45.808 -11.349   9.791
  365   1HB   CYS  48          1HB       CYS  48  45.073  -8.847   8.421
  366   2HB   CYS  48          2HB       CYS  48  46.307  -8.637   9.647
  367    HG   CYS  48           HG       CYS  48  47.233  -9.038   7.118
  368    H    SER  49           H        SER  49  45.563 -11.879  11.986
  369    HA   SER  49           HA       SER  49  44.576  -9.738  13.690
  370   1HB   SER  49          1HB       SER  49  44.204 -11.510  15.384
  371   2HB   SER  49          2HB       SER  49  43.351 -11.858  13.894
  372    HG   SER  49           HG       SER  49  45.934 -12.917  13.915

  No H/Q in entry =         372
  Start of MODEL   27
    1    H    MET   1           H        MET   1 -34.131   9.349   7.143
    2    HA   MET   1           HA       MET   1 -35.481   7.360   5.489
    3   1HB   MET   1          1HB       MET   1 -37.452   7.766   6.921
    4   2HB   MET   1          2HB       MET   1 -36.075   7.434   7.953
    5   1HG   MET   1          1HG       MET   1 -35.858  10.169   7.712
    6   2HG   MET   1          2HG       MET   1 -37.596   9.981   7.580
    7   1HE   MET   1          1HE       MET   1 -38.176  11.147   9.243
    8   2HE   MET   1          2HE       MET   1 -38.691  10.296  10.719
    9   3HE   MET   1          3HE       MET   1 -37.260  11.355  10.754
   10    H    VAL   2           H        VAL   2 -34.294  10.441   5.322
   11    HA   VAL   2           HA       VAL   2 -36.462  11.253   3.522
   12    HB   VAL   2           HB       VAL   2 -36.131  13.571   4.259
   13   1HG1  VAL   2          1HG1      VAL   2 -37.165  11.420   6.031
   14   2HG1  VAL   2          2HG1      VAL   2 -36.955  13.024   6.774
   15   3HG1  VAL   2          3HG1      VAL   2 -37.990  12.837   5.338
   16   1HG2  VAL   2          1HG2      VAL   2 -34.131  12.288   6.104
   17   2HG2  VAL   2          2HG2      VAL   2 -33.990  13.770   5.129
   18   3HG2  VAL   2          3HG2      VAL   2 -34.984  13.767   6.605
   19    H    ALA   3           H        ALA   3 -35.734  12.667   1.752
   20    HA   ALA   3           HA       ALA   3 -33.287  11.761   0.686
   21   1HB   ALA   3          1HB       ALA   3 -35.626  12.924  -0.253
   22   2HB   ALA   3          2HB       ALA   3 -34.163  12.609  -1.217
   23   3HB   ALA   3          3HB       ALA   3 -34.419  14.211  -0.486
   24    H    ALA   4           H        ALA   4 -31.872  12.320   2.570
   25    HA   ALA   4           HA       ALA   4 -31.259  15.183   2.677
   26   1HB   ALA   4          1HB       ALA   4 -30.232  14.701   4.806
   27   2HB   ALA   4          2HB       ALA   4 -31.823  13.902   4.785
   28   3HB   ALA   4          3HB       ALA   4 -30.343  12.947   4.524
   29    H    ALA   5           H        ALA   5 -30.430  14.486   0.320
   30    HA   ALA   5           HA       ALA   5 -28.538  14.644  -0.880
   31   1HB   ALA   5          1HB       ALA   5 -26.789  13.671   1.366
   32   2HB   ALA   5          2HB       ALA   5 -26.449  14.876   0.100
   33   3HB   ALA   5          3HB       ALA   5 -27.499  15.300   1.473
   34    H    MET   6           H        MET   6 -28.618  11.916   1.506
   35    HA   MET   6           HA       MET   6 -28.248   9.775   1.266
   36   1HB   MET   6          1HB       MET   6 -30.471  10.367  -0.088
   37   2HB   MET   6          2HB       MET   6 -29.520   9.945  -1.498
   38   1HG   MET   6          1HG       MET   6 -28.935   7.762  -0.054
   39   2HG   MET   6          2HG       MET   6 -30.419   8.174   0.782
   40   1HE   MET   6          1HE       MET   6 -31.871   6.579   0.391
   41   2HE   MET   6          2HE       MET   6 -32.963   7.709  -0.446
   42   3HE   MET   6          3HE       MET   6 -32.650   6.098  -1.135
   43    H    LEU   7           H        LEU   7 -25.855  10.533   0.923
   44    HA   LEU   7           HA       LEU   7 -24.902   9.110  -1.420
   45   1HB   LEU   7          1HB       LEU   7 -25.065  11.361  -2.241
   46   2HB   LEU   7          2HB       LEU   7 -24.242  11.995  -0.831
   47    HG   LEU   7           HG       LEU   7 -22.266  10.458  -1.620
   48   1HD1  LEU   7          1HD1      LEU   7 -24.016  10.613  -4.065
   49   2HD1  LEU   7          2HD1      LEU   7 -22.246  10.480  -4.200
   50   3HD1  LEU   7          3HD1      LEU   7 -23.173   9.211  -3.364
   51   1HD2  LEU   7          1HD2      LEU   7 -22.535  13.042  -1.575
   52   2HD2  LEU   7          2HD2      LEU   7 -21.243  12.312  -2.558
   53   3HD2  LEU   7          3HD2      LEU   7 -22.741  12.880  -3.335
   54    H    LEU   8           H        LEU   8 -24.049  11.027   1.537
   55    HA   LEU   8           HA       LEU   8 -22.664  10.595   3.201
   56   1HB   LEU   8          1HB       LEU   8 -23.294   7.865   2.218
   57   2HB   LEU   8          2HB       LEU   8 -21.917   8.024   3.291
   58    HG   LEU   8           HG       LEU   8 -23.638   9.394   4.772
   59   1HD1  LEU   8          1HD1      LEU   8 -25.403   7.715   2.987
   60   2HD1  LEU   8          2HD1      LEU   8 -25.900   8.240   4.614
   61   3HD1  LEU   8          3HD1      LEU   8 -25.526   9.451   3.364
   62   1HD2  LEU   8          1HD2      LEU   8 -23.274   6.415   4.546
   63   2HD2  LEU   8          2HD2      LEU   8 -22.601   7.552   5.739
   64   3HD2  LEU   8          3HD2      LEU   8 -24.327   7.123   5.795
   65    H    ARG   9           H        ARG   9 -20.874  11.809   2.744
   66    HA   ARG   9           HA       ARG   9 -18.620  10.389   1.819
   67   1HB   ARG   9          1HB       ARG   9 -18.112  11.915  -0.116
   68   2HB   ARG   9          2HB       ARG   9 -19.543  10.942  -0.390
   69   1HG   ARG   9          1HG       ARG   9 -20.986  12.756  -0.252
   70   2HG   ARG   9          2HG       ARG   9 -19.999  13.595   0.928
   71   1HD   ARG   9          1HD       ARG   9 -18.360  14.211  -0.829
   72   2HD   ARG   9          2HD       ARG   9 -19.255  13.291  -2.022
   73    HE   ARG   9           HE       ARG   9 -20.828  15.361  -0.632
   74   1HH1  ARG   9          1HH1      ARG   9 -21.657  17.065  -1.910
   75   2HH1  ARG   9          2HH1      ARG   9 -21.085  17.290  -3.529
   76   1HH2  ARG   9          1HH2      ARG   9 -18.848  14.571  -3.431
   77   2HH2  ARG   9          2HH2      ARG   9 -19.476  15.862  -4.400
   78    H    SER  10           H        SER  10 -19.059  11.528   4.275
   79    HA   SER  10           HA       SER  10 -17.772  14.133   4.132
   80   1HB   SER  10          1HB       SER  10 -20.028  13.537   5.451
   81   2HB   SER  10          2HB       SER  10 -18.906  13.008   6.689
   82    HG   SER  10           HG       SER  10 -19.579  15.588   5.892
   83    H    CYS  11           H        CYS  11 -17.734  10.972   5.923
   84    HA   CYS  11           HA       CYS  11 -15.348  11.530   7.288
   85   1HB   CYS  11          1HB       CYS  11 -16.881   8.988   6.725
   86   2HB   CYS  11          2HB       CYS  11 -15.341   8.955   7.560
   87    HG   CYS  11           HG       CYS  11 -16.014  10.777   9.377
   88    HA   PRO  12           HA       PRO  12 -12.480  10.620   4.136
   89   1HB   PRO  12          1HB       PRO  12 -10.267   9.942   5.589
   90   2HB   PRO  12          2HB       PRO  12 -10.758  11.600   5.309
   91   1HG   PRO  12          1HG       PRO  12 -11.010   9.984   7.771
   92   2HG   PRO  12          2HG       PRO  12 -11.092  11.725   7.587
   93   1HD   PRO  12          1HD       PRO  12 -13.300   9.933   7.966
   94   2HD   PRO  12          2HD       PRO  12 -13.389  11.657   7.667
   95    H    VAL  13           H        VAL  13 -13.193   8.202   6.486
   96    HA   VAL  13           HA       VAL  13 -13.293   6.001   6.345
   97    HB   VAL  13           HB       VAL  13 -13.228   6.468   3.357
   98   1HG1  VAL  13          1HG1      VAL  13 -13.325   4.055   4.938
   99   2HG1  VAL  13          2HG1      VAL  13 -14.843   4.247   4.027
  100   3HG1  VAL  13          3HG1      VAL  13 -13.283   4.246   3.168
  101   1HG2  VAL  13          1HG2      VAL  13 -15.460   6.571   5.388
  102   2HG2  VAL  13          2HG2      VAL  13 -15.040   7.745   4.117
  103   3HG2  VAL  13          3HG2      VAL  13 -15.777   6.185   3.679
  104    H    LEU  14           H        LEU  14 -10.725   7.339   6.654
  105    HA   LEU  14           HA       LEU  14  -9.054   5.145   5.698
  106   1HB   LEU  14          1HB       LEU  14  -8.876   7.957   4.894
  107   2HB   LEU  14          2HB       LEU  14  -7.373   7.313   5.524
  108    HG   LEU  14           HG       LEU  14  -8.859   5.741   3.447
  109   1HD1  LEU  14          1HD1      LEU  14  -7.637   8.409   3.050
  110   2HD1  LEU  14          2HD1      LEU  14  -7.178   7.153   1.875
  111   3HD1  LEU  14          3HD1      LEU  14  -8.894   7.562   2.116
  112   1HD2  LEU  14          1HD2      LEU  14  -5.996   6.041   4.334
  113   2HD2  LEU  14          2HD2      LEU  14  -7.010   4.579   4.266
  114   3HD2  LEU  14          3HD2      LEU  14  -6.414   5.320   2.761
  115    H    SER  15           H        SER  15  -8.889   8.251   7.588
  116    HA   SER  15           HA       SER  15  -8.488   6.801   9.977
  117   1HB   SER  15          1HB       SER  15  -6.217   6.540   9.141
  118   2HB   SER  15          2HB       SER  15  -6.116   8.237   8.717
  119    HG   SER  15           HG       SER  15  -6.757   7.766  11.416
  120    H    GLN  16           H        GLN  16  -7.564   9.970   8.426
  121    HA   GLN  16           HA       GLN  16  -9.582  11.318   9.858
  122   1HB   GLN  16          1HB       GLN  16  -7.245  10.938  11.332
  123   2HB   GLN  16          2HB       GLN  16  -7.010  12.536  10.653
  124   1HG   GLN  16          1HG       GLN  16  -9.702  11.889  11.857
  125   2HG   GLN  16          2HG       GLN  16  -8.359  12.172  12.947
  126   1HE2  GLN  16          2HE2      GLN  16 -10.896  13.646  11.935
  127   2HE2  GLN  16          1HE2      GLN  16 -10.366  15.275  11.677
  128    H    GLY  17           H        GLY  17  -6.396  11.552   8.163
  129   1HA   GLY  17          1HA       GLY  17  -6.778  14.138   7.112
  130   2HA   GLY  17          2HA       GLY  17  -7.408  12.964   5.974
  131    HA   PRO  18           HA       PRO  18  -2.705  13.107   6.003
  132   1HB   PRO  18          1HB       PRO  18  -1.276  12.984   8.329
  133   2HB   PRO  18          2HB       PRO  18  -1.748  14.493   7.573
  134   1HG   PRO  18          1HG       PRO  18  -2.883  13.188   9.970
  135   2HG   PRO  18          2HG       PRO  18  -3.035  14.855   9.452
  136   1HD   PRO  18          1HD       PRO  18  -5.020  12.797   9.221
  137   2HD   PRO  18          2HD       PRO  18  -5.128  14.431   8.599
  138    H    THR  19           H        THR  19  -4.360  10.881   7.923
  139    HA   THR  19           HA       THR  19  -4.323   8.644   7.831
  140    HB   THR  19           HB       THR  19  -1.818   8.705   6.103
  141    HG1  THR  19           HG1      THR  19  -3.056   9.900   4.715
  142   1HG2  THR  19          1HG2      THR  19  -3.687   6.694   6.868
  143   2HG2  THR  19          2HG2      THR  19  -4.114   7.134   5.197
  144   3HG2  THR  19          3HG2      THR  19  -2.467   6.577   5.578
  145    H    GLY  20           H        GLY  20  -0.954   9.980   7.972
  146   1HA   GLY  20          1HA       GLY  20  -0.206   8.013   9.950
  147   2HA   GLY  20          2HA       GLY  20  -0.457   9.620  10.603
  148    H    LEU  21           H        LEU  21   1.025   8.238   7.573
  149    HA   LEU  21           HA       LEU  21   2.982   8.576   6.612
  150   1HB   LEU  21          1HB       LEU  21   2.064  11.189   7.447
  151   2HB   LEU  21          2HB       LEU  21   3.816  11.123   7.434
  152    HG   LEU  21           HG       LEU  21   2.479   9.992   5.040
  153   1HD1  LEU  21          1HD1      LEU  21   1.970  12.755   5.970
  154   2HD1  LEU  21          2HD1      LEU  21   2.481  12.586   4.274
  155   3HD1  LEU  21          3HD1      LEU  21   1.041  11.718   4.861
  156   1HD2  LEU  21          1HD2      LEU  21   5.027  11.181   5.801
  157   2HD2  LEU  21          2HD2      LEU  21   4.621  10.101   4.445
  158   3HD2  LEU  21          3HD2      LEU  21   4.389  11.858   4.284
  159    H    LEU  22           H        LEU  22   3.325   6.891   8.567
  160    HA   LEU  22           HA       LEU  22   5.849   7.729   9.736
  161   1HB   LEU  22          1HB       LEU  22   4.400   8.306  11.501
  162   2HB   LEU  22          2HB       LEU  22   3.439   6.853  11.310
  163    HG   LEU  22           HG       LEU  22   5.821   5.720  11.891
  164   1HD1  LEU  22          1HD1      LEU  22   6.686   8.176  12.142
  165   2HD1  LEU  22          2HD1      LEU  22   5.896   8.085  13.734
  166   3HD1  LEU  22          3HD1      LEU  22   7.177   6.926  13.310
  167   1HD2  LEU  22          1HD2      LEU  22   3.343   6.184  13.205
  168   2HD2  LEU  22          2HD2      LEU  22   4.528   4.886  13.486
  169   3HD2  LEU  22          3HD2      LEU  22   4.643   6.409  14.401
  170    H    GLY  23           H        GLY  23   3.496   4.967   9.998
  171   1HA   GLY  23          1HA       GLY  23   3.739   2.780   9.550
  172   2HA   GLY  23          2HA       GLY  23   5.426   2.963   9.988
  173    H    LYS  24           H        LYS  24   4.035   4.888   7.342
  174    HA   LYS  24           HA       LYS  24   4.748   3.038   5.299
  175   1HB   LYS  24          1HB       LYS  24   3.914   4.642   3.800
  176   2HB   LYS  24          2HB       LYS  24   2.906   4.791   5.226
  177   1HG   LYS  24          1HG       LYS  24   4.236   6.736   6.002
  178   2HG   LYS  24          2HG       LYS  24   5.326   6.562   4.641
  179   1HD   LYS  24          1HD       LYS  24   2.336   6.960   4.233
  180   2HD   LYS  24          2HD       LYS  24   3.416   8.323   4.446
  181   1HE   LYS  24          1HE       LYS  24   3.944   6.177   2.348
  182   2HE   LYS  24          2HE       LYS  24   2.926   7.563   2.011
  183    H    VAL  25           H        VAL  25   6.470   5.291   7.287
  184    HA   VAL  25           HA       VAL  25   8.597   5.568   5.313
  185    HB   VAL  25           HB       VAL  25   8.160   6.783   8.048
  186   1HG1  VAL  25          1HG1      VAL  25  10.599   6.396   7.103
  187   2HG1  VAL  25          2HG1      VAL  25  10.199   7.816   6.107
  188   3HG1  VAL  25          3HG1      VAL  25  10.149   7.931   7.882
  189   1HG2  VAL  25          1HG2      VAL  25   6.605   7.538   6.241
  190   2HG2  VAL  25          2HG2      VAL  25   7.648   8.831   6.880
  191   3HG2  VAL  25          3HG2      VAL  25   8.020   8.083   5.309
  192    H    ALA  26           H        ALA  26   7.669   3.825   8.248
  193    HA   ALA  26           HA       ALA  26  10.322   3.016   8.905
  194   1HB   ALA  26          1HB       ALA  26   9.047   1.409  10.402
  195   2HB   ALA  26          2HB       ALA  26   8.664   3.130  10.643
  196   3HB   ALA  26          3HB       ALA  26   7.546   2.089   9.730
  197    H    LYS  27           H        LYS  27   7.439   1.322   7.468
  198    HA   LYS  27           HA       LYS  27   8.491  -1.092   6.970
  199   1HB   LYS  27          1HB       LYS  27   6.831  -1.374   5.343
  200   2HB   LYS  27          2HB       LYS  27   6.173  -0.169   6.431
  201   1HG   LYS  27          1HG       LYS  27   6.959   1.643   4.877
  202   2HG   LYS  27          2HG       LYS  27   7.576   0.423   3.781
  203   1HD   LYS  27          1HD       LYS  27   4.702   0.164   4.632
  204   2HD   LYS  27          2HD       LYS  27   5.091   1.476   3.538
  205   1HE   LYS  27          1HE       LYS  27   6.331  -1.120   2.783
  206   2HE   LYS  27          2HE       LYS  27   4.579  -1.142   2.766
  207    H    THR  28           H        THR  28   9.041   1.901   5.026
  208    HA   THR  28           HA       THR  28  10.554   0.704   3.011
  209    HB   THR  28           HB       THR  28  10.586   3.520   4.220
  210    HG1  THR  28           HG1      THR  28   9.008   3.785   2.522
  211   1HG2  THR  28          1HG2      THR  28  11.559   2.448   1.519
  212   2HG2  THR  28          2HG2      THR  28  11.330   4.173   1.894
  213   3HG2  THR  28          3HG2      THR  28  12.565   3.230   2.761
  214    H    TYR  29           H        TYR  29  11.585   2.147   6.162
  215    HA   TYR  29           HA       TYR  29  14.324   1.642   5.693
  216   1HB   TYR  29          1HB       TYR  29  12.889   3.172   7.386
  217   2HB   TYR  29          2HB       TYR  29  12.893   1.740   8.397
  218    HD1  TYR  29           HD1      TYR  29  14.637   1.420   9.913
  219    HD2  TYR  29           HD2      TYR  29  15.261   3.977   6.540
  220    HE1  TYR  29           HE1      TYR  29  16.916   2.080  10.826
  221    HE2  TYR  29           HE2      TYR  29  17.538   4.629   7.465
  222    HH   TYR  29           HH       TYR  29  18.707   4.694   9.482
  223    H    GLN  30           H        GLN  30  11.635  -0.243   7.110
  224    HA   GLN  30           HA       GLN  30  13.204  -2.116   8.411
  225   1HB   GLN  30          1HB       GLN  30  10.584  -1.636   8.391
  226   2HB   GLN  30          2HB       GLN  30  10.566  -2.877   7.154
  227   1HG   GLN  30          1HG       GLN  30  10.200  -3.877   9.386
  228   2HG   GLN  30          2HG       GLN  30  11.696  -4.467   8.688
  229   1HE2  GLN  30          2HE2      GLN  30  13.046  -4.793  10.289
  230   2HE2  GLN  30          1HE2      GLN  30  13.460  -3.679  11.549
  231    H    PHE  31           H        PHE  31  12.856  -1.452   5.064
  232    HA   PHE  31           HA       PHE  31  13.666  -4.186   4.380
  233   1HB   PHE  31          1HB       PHE  31  11.573  -2.847   3.395
  234   2HB   PHE  31          2HB       PHE  31  12.775  -1.942   2.498
  235    HD1  PHE  31           HD1      PHE  31  11.972  -5.523   3.222
  236    HD2  PHE  31           HD2      PHE  31  13.189  -2.646   0.351
  237    HE1  PHE  31           HE1      PHE  31  11.986  -7.299   1.449
  238    HE2  PHE  31           HE2      PHE  31  13.203  -4.422  -1.423
  239    HZ   PHE  31           HZ       PHE  31  12.602  -6.727  -0.853
  240    H    LEU  32           H        LEU  32  14.363  -0.676   3.879
  241    HA   LEU  32           HA       LEU  32  16.521  -0.979   2.176
  242   1HB   LEU  32          1HB       LEU  32  15.749   1.121   4.186
  243   2HB   LEU  32          2HB       LEU  32  17.211   1.261   3.230
  244    HG   LEU  32           HG       LEU  32  14.436   0.962   2.050
  245   1HD1  LEU  32          1HD1      LEU  32  14.575   3.045   3.304
  246   2HD1  LEU  32          2HD1      LEU  32  16.081   3.475   2.457
  247   3HD1  LEU  32          3HD1      LEU  32  14.552   3.363   1.552
  248   1HD2  LEU  32          1HD2      LEU  32  16.887   0.501   0.869
  249   2HD2  LEU  32          2HD2      LEU  32  15.369   0.889   0.025
  250   3HD2  LEU  32          3HD2      LEU  32  16.528   2.183   0.411
  251    H    PHE  33           H        PHE  33  16.285  -1.187   5.754
  252    HA   PHE  33           HA       PHE  33  18.975  -1.169   6.338
  253   1HB   PHE  33          1HB       PHE  33  16.646  -1.358   7.712
  254   2HB   PHE  33          2HB       PHE  33  16.994  -3.074   7.657
  255    HD1  PHE  33           HD1      PHE  33  19.139  -3.913   8.682
  256    HD2  PHE  33           HD2      PHE  33  17.760   0.061   9.240
  257    HE1  PHE  33           HE1      PHE  33  20.641  -3.673  10.679
  258    HE2  PHE  33           HE2      PHE  33  19.262   0.302  11.236
  259    HZ   PHE  33           HZ       PHE  33  20.684  -1.568  11.932
  260    H    SER  34           H        SER  34  16.902  -3.773   5.029
  261    HA   SER  34           HA       SER  34  19.043  -5.667   5.372
  262   1HB   SER  34          1HB       SER  34  16.387  -6.008   5.568
  263   2HB   SER  34          2HB       SER  34  16.523  -6.299   3.845
  264    HG   SER  34           HG       SER  34  18.291  -7.876   4.452
  265    H    ILE  35           H        ILE  35  20.263  -3.952   3.856
  266    HA   ILE  35           HA       ILE  35  19.662  -4.548   1.057
  267    HB   ILE  35           HB       ILE  35  19.833  -2.182   1.915
  268   1HG1  ILE  35          1HG1      ILE  35  21.903  -2.383  -0.182
  269   2HG1  ILE  35          2HG1      ILE  35  20.440  -3.287  -0.516
  270   1HG2  ILE  35          1HG2      ILE  35  22.737  -2.982   2.189
  271   2HG2  ILE  35          2HG2      ILE  35  22.189  -1.293   2.057
  272   3HG2  ILE  35          3HG2      ILE  35  21.658  -2.296   3.428
  273   1HD1  ILE  35          1HD1      ILE  35  19.921  -0.585   0.590
  274   2HD1  ILE  35          2HD1      ILE  35  20.765  -0.578  -0.978
  275   3HD1  ILE  35          3HD1      ILE  35  19.193  -1.398  -0.817
  276    H    GLY  36           H        GLY  36  22.018  -5.006   3.672
  277   1HA   GLY  36          1HA       GLY  36  24.039  -6.029   3.712
  278   2HA   GLY  36          2HA       GLY  36  24.126  -5.936   1.964
  279    H    ARG  37           H        ARG  37  24.327  -7.932   1.059
  280    HA   ARG  37           HA       ARG  37  24.036 -10.028   0.627
  281   1HB   ARG  37          1HB       ARG  37  24.427  -9.963   3.399
  282   2HB   ARG  37          2HB       ARG  37  22.974 -10.932   3.248
  283   1HG   ARG  37          1HG       ARG  37  24.530 -12.010   1.234
  284   2HG   ARG  37          2HG       ARG  37  25.762 -11.549   2.392
  285   1HD   ARG  37          1HD       ARG  37  24.824 -12.928   4.120
  286   2HD   ARG  37          2HD       ARG  37  23.293 -13.088   3.282
  287    HE   ARG  37           HE       ARG  37  25.092 -14.187   1.491
  288   1HH1  ARG  37          1HH1      ARG  37  25.698 -16.389   1.418
  289   2HH1  ARG  37          2HH1      ARG  37  25.601 -17.361   2.848
  290   1HH2  ARG  37          1HH2      ARG  37  24.396 -14.758   4.892
  291   2HH2  ARG  37          2HH2      ARG  37  24.855 -16.428   4.838
  292    H    CYS  38           H        CYS  38  22.215  -9.666  -0.790
  293    HA   CYS  38           HA       CYS  38  19.590  -9.923   0.438
  294   1HB   CYS  38          1HB       CYS  38  18.718  -9.201  -1.752
  295   2HB   CYS  38          2HB       CYS  38  19.848  -8.044  -1.079
  296    HG   CYS  38           HG       CYS  38  20.797 -10.523  -3.039
  297    HA   PRO  39           HA       PRO  39  19.293 -14.020  -1.014
  298   1HB   PRO  39          1HB       PRO  39  16.584 -14.357  -1.154
  299   2HB   PRO  39          2HB       PRO  39  17.486 -14.457   0.345
  300   1HG   PRO  39          1HG       PRO  39  15.746 -12.275  -0.628
  301   2HG   PRO  39          2HG       PRO  39  16.302 -12.590   1.004
  302   1HD   PRO  39          1HD       PRO  39  17.298 -10.587  -0.792
  303   2HD   PRO  39          2HD       PRO  39  17.930 -10.980   0.794
  304    H    ILE  40           H        ILE  40  17.595 -15.371  -2.653
  305    HA   ILE  40           HA       ILE  40  17.122 -15.730  -4.782
  306    HB   ILE  40           HB       ILE  40  17.355 -12.741  -5.154
  307   1HG1  ILE  40          1HG1      ILE  40  15.733 -13.602  -3.360
  308   2HG1  ILE  40          2HG1      ILE  40  15.109 -12.511  -4.581
  309   1HG2  ILE  40          1HG2      ILE  40  17.456 -14.123  -7.236
  310   2HG2  ILE  40          2HG2      ILE  40  15.846 -14.763  -6.828
  311   3HG2  ILE  40          3HG2      ILE  40  16.058 -13.025  -7.146
  312   1HD1  ILE  40          1HD1      ILE  40  14.976 -15.492  -5.077
  313   2HD1  ILE  40          2HD1      ILE  40  13.786 -14.725  -3.999
  314   3HD1  ILE  40          3HD1      ILE  40  13.917 -14.201  -5.695
  315    H    LEU  41           H        LEU  41  19.577 -13.043  -4.742
  316    HA   LEU  41           HA       LEU  41  21.088 -14.444  -6.758
  317   1HB   LEU  41          1HB       LEU  41  20.662 -11.905  -6.525
  318   2HB   LEU  41          2HB       LEU  41  21.928 -11.947  -5.315
  319    HG   LEU  41           HG       LEU  41  22.836 -13.317  -7.683
  320   1HD1  LEU  41          1HD1      LEU  41  21.645 -10.572  -8.122
  321   2HD1  LEU  41          2HD1      LEU  41  22.894 -11.279  -9.175
  322   3HD1  LEU  41          3HD1      LEU  41  21.312 -12.078  -9.011
  323   1HD2  LEU  41          1HD2      LEU  41  23.689 -10.875  -6.127
  324   2HD2  LEU  41          2HD2      LEU  41  24.424 -12.496  -6.160
  325   3HD2  LEU  41          3HD2      LEU  41  24.554 -11.430  -7.580
  326    H    ALA  42           H        ALA  42  22.103 -12.963  -3.602
  327    HA   ALA  42           HA       ALA  42  23.372 -13.750  -1.963
  328   1HB   ALA  42          1HB       ALA  42  23.337 -16.547  -3.085
  329   2HB   ALA  42          2HB       ALA  42  21.840 -15.848  -2.421
  330   3HB   ALA  42          3HB       ALA  42  23.283 -16.007  -1.390
  331    H    THR  43           H        THR  43  24.213 -15.701  -4.922
  332    HA   THR  43           HA       THR  43  26.537 -14.275  -5.493
  333    HB   THR  43           HB       THR  43  27.374 -15.122  -3.328
  334    HG1  THR  43           HG1      THR  43  29.130 -16.468  -4.380
  335   1HG2  THR  43          1HG2      THR  43  25.810 -17.329  -3.651
  336   2HG2  THR  43          2HG2      THR  43  27.329 -17.958  -4.334
  337   3HG2  THR  43          3HG2      THR  43  27.288 -17.354  -2.660
  338    H    GLN  44           H        GLN  44  24.789 -14.798  -7.269
  339    HA   GLN  44           HA       GLN  44  26.074 -16.453  -9.063
  340   1HB   GLN  44          1HB       GLN  44  24.758 -18.074  -7.334
  341   2HB   GLN  44          2HB       GLN  44  23.441 -17.748  -8.442
  342   1HG   GLN  44          1HG       GLN  44  25.527 -18.253 -10.202
  343   2HG   GLN  44          2HG       GLN  44  25.927 -19.322  -8.872
  344   1HE2  GLN  44          2HE2      GLN  44  23.335 -18.332 -11.061
  345   2HE2  GLN  44          1HE2      GLN  44  22.482 -19.839 -11.108
  346    H    GLY  45           H        GLY  45  22.551 -15.933  -8.300
  347   1HA   GLY  45          1HA       GLY  45  22.386 -13.938 -10.422
  348   2HA   GLY  45          2HA       GLY  45  21.161 -14.344  -9.236
  349    HA   PRO  46           HA       PRO  46  19.297 -17.010 -12.104
  350   1HB   PRO  46          1HB       PRO  46  17.361 -15.415 -13.188
  351   2HB   PRO  46          2HB       PRO  46  17.199 -16.192 -11.626
  352   1HG   PRO  46          1HG       PRO  46  17.753 -13.353 -12.233
  353   2HG   PRO  46          2HG       PRO  46  17.173 -14.063 -10.740
  354   1HD   PRO  46          1HD       PRO  46  19.839 -13.156 -11.288
  355   2HD   PRO  46          2HD       PRO  46  19.286 -13.971  -9.838
  356    H    THR  47           H        THR  47  18.905 -17.614 -14.344
  357    HA   THR  47           HA       THR  47  20.978 -16.396 -15.953
  358    HB   THR  47           HB       THR  47  20.669 -18.876 -15.806
  359    HG1  THR  47           HG1      THR  47  20.345 -19.014 -18.275
  360   1HG2  THR  47          1HG2      THR  47  18.034 -18.287 -17.257
  361   2HG2  THR  47          2HG2      THR  47  18.734 -19.902 -16.987
  362   3HG2  THR  47          3HG2      THR  47  18.163 -18.937 -15.605
  363    H    CYS  48           H        CYS  48  20.745 -14.887 -17.487
  364    HA   CYS  48           HA       CYS  48  18.288 -14.644 -18.899
  365   1HB   CYS  48          1HB       CYS  48  18.296 -13.264 -16.509
  366   2HB   CYS  48          2HB       CYS  48  18.856 -12.044 -17.636
  367    HG   CYS  48           HG       CYS  48  16.030 -13.537 -17.261
  368    H    SER  49           H        SER  49  19.037 -14.261 -20.954
  369    HA   SER  49           HA       SER  49  21.094 -12.278 -21.277
  370   1HB   SER  49          1HB       SER  49  21.492 -15.204 -21.764
  371   2HB   SER  49          2HB       SER  49  22.094 -14.132 -23.014
  372    HG   SER  49           HG       SER  49  23.218 -12.938 -21.236

  No H/Q in entry =         372
  Start of MODEL   28
    1    H    MET   1           H        MET   1  -0.662  48.165  25.460
    2    HA   MET   1           HA       MET   1  -2.364  49.025  24.417
    3   1HB   MET   1          1HB       MET   1  -0.418  48.686  22.415
    4   2HB   MET   1          2HB       MET   1  -1.828  47.929  21.699
    5   1HG   MET   1          1HG       MET   1  -2.541  50.011  21.126
    6   2HG   MET   1          2HG       MET   1  -2.856  50.297  22.826
    7   1HE   MET   1          1HE       MET   1  -2.735  52.609  22.146
    8   2HE   MET   1          2HE       MET   1  -1.785  52.815  23.637
    9   3HE   MET   1          3HE       MET   1  -1.249  53.588  22.125
   10    H    VAL   2           H        VAL   2  -4.331  48.435  22.805
   11    HA   VAL   2           HA       VAL   2  -5.405  46.025  23.847
   12    HB   VAL   2           HB       VAL   2  -6.596  48.194  23.297
   13   1HG1  VAL   2          1HG1      VAL   2  -5.658  48.519  21.042
   14   2HG1  VAL   2          2HG1      VAL   2  -6.508  47.060  20.480
   15   3HG1  VAL   2          3HG1      VAL   2  -7.438  48.480  21.016
   16   1HG2  VAL   2          1HG2      VAL   2  -7.585  45.796  23.693
   17   2HG2  VAL   2          2HG2      VAL   2  -8.632  47.109  23.101
   18   3HG2  VAL   2          3HG2      VAL   2  -7.999  45.894  21.964
   19    H    ALA   3           H        ALA   3  -6.225  44.198  22.541
   20    HA   ALA   3           HA       ALA   3  -5.677  42.454  21.263
   21   1HB   ALA   3          1HB       ALA   3  -7.080  43.881  19.784
   22   2HB   ALA   3          2HB       ALA   3  -5.910  42.905  18.865
   23   3HB   ALA   3          3HB       ALA   3  -5.603  44.636  19.139
   24    H    ALA   4           H        ALA   4  -3.664  41.797  22.113
   25    HA   ALA   4           HA       ALA   4  -1.252  43.080  21.371
   26   1HB   ALA   4          1HB       ALA   4  -0.361  40.785  22.316
   27   2HB   ALA   4          2HB       ALA   4  -1.149  41.950  23.407
   28   3HB   ALA   4          3HB       ALA   4  -2.058  40.547  22.795
   29    H    ALA   5           H        ALA   5  -2.746  39.892  20.450
   30    HA   ALA   5           HA       ALA   5  -1.747  40.234  17.771
   31   1HB   ALA   5          1HB       ALA   5  -0.361  38.584  19.775
   32   2HB   ALA   5          2HB       ALA   5   0.186  39.131  18.172
   33   3HB   ALA   5          3HB       ALA   5  -0.825  37.673  18.317
   34    H    MET   6           H        MET   6  -2.783  37.513  19.956
   35    HA   MET   6           HA       MET   6  -5.387  37.492  19.019
   36   1HB   MET   6          1HB       MET   6  -3.394  36.154  17.313
   37   2HB   MET   6          2HB       MET   6  -4.566  34.993  17.902
   38   1HG   MET   6          1HG       MET   6  -6.368  36.038  16.816
   39   2HG   MET   6          2HG       MET   6  -5.610  37.618  16.839
   40   1HE   MET   6          1HE       MET   6  -7.111  35.903  14.602
   41   2HE   MET   6          2HE       MET   6  -6.585  37.508  14.039
   42   3HE   MET   6          3HE       MET   6  -6.170  36.055  13.098
   43    H    LEU   7           H        LEU   7  -2.805  35.008  19.692
   44    HA   LEU   7           HA       LEU   7  -3.841  34.537  22.299
   45   1HB   LEU   7          1HB       LEU   7  -4.251  32.034  21.668
   46   2HB   LEU   7          2HB       LEU   7  -5.524  33.232  21.545
   47    HG   LEU   7           HG       LEU   7  -4.000  32.996  19.062
   48   1HD1  LEU   7          1HD1      LEU   7  -5.298  30.518  20.208
   49   2HD1  LEU   7          2HD1      LEU   7  -5.019  30.758  18.467
   50   3HD1  LEU   7          3HD1      LEU   7  -3.640  30.717  19.592
   51   1HD2  LEU   7          1HD2      LEU   7  -6.179  34.154  19.348
   52   2HD2  LEU   7          2HD2      LEU   7  -6.192  32.917  18.068
   53   3HD2  LEU   7          3HD2      LEU   7  -6.943  32.574  19.645
   54    H    LEU   8           H        LEU   8  -2.248  32.455  19.785
   55    HA   LEU   8           HA       LEU   8  -0.309  31.383  19.836
   56   1HB   LEU   8          1HB       LEU   8   0.339  33.714  19.284
   57   2HB   LEU   8          2HB       LEU   8   0.697  33.993  20.976
   58    HG   LEU   8           HG       LEU   8   2.241  31.811  20.550
   59   1HD1  LEU   8          1HD1      LEU   8   1.511  31.799  18.130
   60   2HD1  LEU   8          2HD1      LEU   8   2.436  33.307  17.930
   61   3HD1  LEU   8          3HD1      LEU   8   3.269  31.810  18.415
   62   1HD2  LEU   8          1HD2      LEU   8   2.611  34.638  20.843
   63   2HD2  LEU   8          2HD2      LEU   8   3.676  33.302  21.341
   64   3HD2  LEU   8          3HD2      LEU   8   3.827  34.000  19.711
   65    H    ARG   9           H        ARG   9  -1.146  29.849  21.435
   66    HA   ARG   9           HA       ARG   9   0.634  29.569  23.536
   67   1HB   ARG   9          1HB       ARG   9  -1.009  29.771  25.457
   68   2HB   ARG   9          2HB       ARG   9  -0.624  31.305  24.702
   69   1HG   ARG   9          1HG       ARG   9  -2.804  30.406  23.193
   70   2HG   ARG   9          2HG       ARG   9  -3.203  29.859  24.809
   71   1HD   ARG   9          1HD       ARG   9  -2.258  32.457  25.259
   72   2HD   ARG   9          2HD       ARG   9  -3.105  32.615  23.733
   73    HE   ARG   9           HE       ARG   9  -5.150  32.132  24.814
   74   1HH1  ARG   9          1HH1      ARG   9  -6.472  31.907  26.664
   75   2HH1  ARG   9          2HH1      ARG   9  -5.754  31.578  28.206
   76   1HH2  ARG   9          1HH2      ARG   9  -2.449  31.538  26.990
   77   2HH2  ARG   9          2HH2      ARG   9  -3.450  31.367  28.393
   78    H    SER  10           H        SER  10   0.769  27.443  22.639
   79    HA   SER  10           HA       SER  10  -1.155  25.649  23.625
   80   1HB   SER  10          1HB       SER  10  -1.695  26.699  21.031
   81   2HB   SER  10          2HB       SER  10  -1.093  25.074  20.772
   82    HG   SER  10           HG       SER  10  -2.737  24.699  22.751
   83    H    CYS  11           H        CYS  11   1.229  26.030  20.894
   84    HA   CYS  11           HA       CYS  11   2.896  24.735  20.239
   85   1HB   CYS  11          1HB       CYS  11   3.517  25.832  22.680
   86   2HB   CYS  11          2HB       CYS  11   3.866  24.139  22.964
   87    HG   CYS  11           HG       CYS  11   5.429  26.359  21.390
   88    HA   PRO  12           HA       PRO  12   0.809  20.823  21.204
   89   1HB   PRO  12          1HB       PRO  12   0.215  20.095  18.638
   90   2HB   PRO  12          2HB       PRO  12  -0.901  20.967  19.670
   91   1HG   PRO  12          1HG       PRO  12   0.708  21.981  17.406
   92   2HG   PRO  12          2HG       PRO  12  -0.699  22.701  18.162
   93   1HD   PRO  12          1HD       PRO  12   2.036  23.490  18.522
   94   2HD   PRO  12          2HD       PRO  12   0.640  24.133  19.364
   95    H    VAL  13           H        VAL  13   1.334  18.545  20.748
   96    HA   VAL  13           HA       VAL  13   4.187  18.458  20.201
   97    HB   VAL  13           HB       VAL  13   2.207  16.493  21.358
   98   1HG1  VAL  13          1HG1      VAL  13   4.021  15.398  19.976
   99   2HG1  VAL  13          2HG1      VAL  13   5.201  16.082  21.120
  100   3HG1  VAL  13          3HG1      VAL  13   3.976  14.925  21.692
  101   1HG2  VAL  13          1HG2      VAL  13   4.195  18.416  22.470
  102   2HG2  VAL  13          2HG2      VAL  13   2.623  17.886  23.114
  103   3HG2  VAL  13          3HG2      VAL  13   4.051  16.836  23.277
  104    H    LEU  14           H        LEU  14   1.082  16.938  19.112
  105    HA   LEU  14           HA       LEU  14   0.484  16.210  17.102
  106   1HB   LEU  14          1HB       LEU  14   2.160  18.134  16.397
  107   2HB   LEU  14          2HB       LEU  14   3.132  16.783  15.850
  108    HG   LEU  14           HG       LEU  14   0.603  16.228  14.819
  109   1HD1  LEU  14          1HD1      LEU  14   0.365  18.826  15.529
  110   2HD1  LEU  14          2HD1      LEU  14   1.029  19.003  13.887
  111   3HD1  LEU  14          3HD1      LEU  14  -0.475  18.087  14.145
  112   1HD2  LEU  14          1HD2      LEU  14   3.256  17.024  13.827
  113   2HD2  LEU  14          2HD2      LEU  14   2.169  15.716  13.300
  114   3HD2  LEU  14          3HD2      LEU  14   1.912  17.376  12.713
  115    H    SER  15           H        SER  15   1.169  14.419  19.005
  116    HA   SER  15           HA       SER  15   3.232  12.702  18.131
  117   1HB   SER  15          1HB       SER  15   1.519  12.983  20.426
  118   2HB   SER  15          2HB       SER  15   1.354  11.337  19.845
  119    HG   SER  15           HG       SER  15   3.270  12.166  21.386
  120    H    GLN  16           H        GLN  16  -0.398  12.409  18.271
  121    HA   GLN  16           HA       GLN  16  -0.227  10.833  15.848
  122   1HB   GLN  16          1HB       GLN  16  -1.095   9.850  18.512
  123   2HB   GLN  16          2HB       GLN  16  -2.226   9.498  17.221
  124   1HG   GLN  16          1HG       GLN  16  -0.894   7.717  16.735
  125   2HG   GLN  16          2HG       GLN  16   0.212   8.879  16.029
  126   1HE2  GLN  16          2HE2      GLN  16   1.771   7.199  16.603
  127   2HE2  GLN  16          1HE2      GLN  16   2.491   7.202  18.179
  128    H    GLY  17           H        GLY  17  -0.921  13.238  15.357
  129   1HA   GLY  17          1HA       GLY  17  -2.633  14.843  15.329
  130   2HA   GLY  17          2HA       GLY  17  -3.787  13.640  15.869
  131    HA   PRO  18           HA       PRO  18  -3.633  13.944  11.205
  132   1HB   PRO  18          1HB       PRO  18  -1.298  14.353   9.845
  133   2HB   PRO  18          2HB       PRO  18  -2.331  15.659  10.391
  134   1HG   PRO  18          1HG       PRO  18   0.246  14.741  11.512
  135   2HG   PRO  18          2HG       PRO  18  -0.576  16.269  11.758
  136   1HD   PRO  18          1HD       PRO  18  -0.457  14.069  13.595
  137   2HD   PRO  18          2HD       PRO  18  -1.374  15.550  13.791
  138    H    THR  19           H        THR  19  -0.557  12.387  11.966
  139    HA   THR  19           HA       THR  19   0.180  10.334  11.536
  140    HB   THR  19           HB       THR  19  -2.831   9.781  11.447
  141    HG1  THR  19           HG1      THR  19  -0.698   9.320  13.407
  142   1HG2  THR  19          1HG2      THR  19  -0.533   8.013  10.958
  143   2HG2  THR  19          2HG2      THR  19  -1.403   7.545  12.438
  144   3HG2  THR  19          3HG2      THR  19  -2.270   7.633  10.886
  145    H    GLY  20           H        GLY  20  -0.364  12.337   9.335
  146   1HA   GLY  20          1HA       GLY  20   0.187  12.316   7.135
  147   2HA   GLY  20          2HA       GLY  20  -1.303  11.403   7.007
  148    H    LEU  21           H        LEU  21   2.184  10.894   7.917
  149    HA   LEU  21           HA       LEU  21   2.169   8.557   6.169
  150   1HB   LEU  21          1HB       LEU  21   4.693   8.757   6.585
  151   2HB   LEU  21          2HB       LEU  21   3.901   9.911   5.530
  152    HG   LEU  21           HG       LEU  21   4.134  10.702   8.386
  153   1HD1  LEU  21          1HD1      LEU  21   6.498  10.115   6.657
  154   2HD1  LEU  21          2HD1      LEU  21   6.537  11.563   7.691
  155   3HD1  LEU  21          3HD1      LEU  21   6.293   9.956   8.418
  156   1HD2  LEU  21          1HD2      LEU  21   3.663  11.931   5.841
  157   2HD2  LEU  21          2HD2      LEU  21   3.555  12.636   7.472
  158   3HD2  LEU  21          3HD2      LEU  21   5.101  12.667   6.590
  159    H    LEU  22           H        LEU  22   4.556   8.781   8.721
  160    HA   LEU  22           HA       LEU  22   5.083   7.272  10.271
  161   1HB   LEU  22          1HB       LEU  22   3.252   8.890  11.207
  162   2HB   LEU  22          2HB       LEU  22   2.259   7.447  11.250
  163    HG   LEU  22           HG       LEU  22   4.977   7.528  12.562
  164   1HD1  LEU  22          1HD1      LEU  22   2.331   8.380  13.767
  165   2HD1  LEU  22          2HD1      LEU  22   3.819   8.058  14.689
  166   3HD1  LEU  22          3HD1      LEU  22   3.773   9.390  13.509
  167   1HD2  LEU  22          1HD2      LEU  22   3.086   5.491  12.140
  168   2HD2  LEU  22          2HD2      LEU  22   4.534   5.443  13.175
  169   3HD2  LEU  22          3HD2      LEU  22   2.964   5.923  13.862
  170    H    GLY  23           H        GLY  23   5.526   5.414   9.038
  171   1HA   GLY  23          1HA       GLY  23   3.286   3.577   8.556
  172   2HA   GLY  23          2HA       GLY  23   4.606   3.045   9.579
  173    H    LYS  24           H        LYS  24   4.293   4.890   6.451
  174    HA   LYS  24           HA       LYS  24   5.595   2.838   4.994
  175   1HB   LYS  24          1HB       LYS  24   4.786   5.679   4.341
  176   2HB   LYS  24          2HB       LYS  24   5.598   4.641   3.186
  177   1HG   LYS  24          1HG       LYS  24   3.768   2.909   3.553
  178   2HG   LYS  24          2HG       LYS  24   2.932   4.072   4.563
  179   1HD   LYS  24          1HD       LYS  24   2.261   5.360   2.773
  180   2HD   LYS  24          2HD       LYS  24   3.764   5.128   1.903
  181   1HE   LYS  24          1HE       LYS  24   1.814   2.821   2.225
  182   2HE   LYS  24          2HE       LYS  24   1.564   4.019   0.971
  183    H    VAL  25           H        VAL  25   6.684   5.356   7.094
  184    HA   VAL  25           HA       VAL  25   9.267   5.551   5.787
  185    HB   VAL  25           HB       VAL  25   7.905   6.909   8.096
  186   1HG1  VAL  25          1HG1      VAL  25  10.854   6.848   7.461
  187   2HG1  VAL  25          2HG1      VAL  25  10.106   8.273   8.222
  188   3HG1  VAL  25          3HG1      VAL  25  10.037   6.691   9.034
  189   1HG2  VAL  25          1HG2      VAL  25   7.420   7.739   5.847
  190   2HG2  VAL  25          2HG2      VAL  25   8.368   8.933   6.766
  191   3HG2  VAL  25          3HG2      VAL  25   9.160   7.932   5.526
  192    H    ALA  26           H        ALA  26   7.607   3.650   8.172
  193    HA   ALA  26           HA       ALA  26  10.074   2.937   9.532
  194   1HB   ALA  26          1HB       ALA  26   8.696   2.000  11.163
  195   2HB   ALA  26          2HB       ALA  26   7.386   1.656  10.009
  196   3HB   ALA  26          3HB       ALA  26   7.676   3.326  10.554
  197    H    LYS  27           H        LYS  27   7.541   1.528   7.375
  198    HA   LYS  27           HA       LYS  27   8.622  -1.049   7.325
  199   1HB   LYS  27          1HB       LYS  27   6.401   0.298   6.254
  200   2HB   LYS  27          2HB       LYS  27   7.279  -0.300   4.860
  201   1HG   LYS  27          1HG       LYS  27   7.187  -2.574   5.632
  202   2HG   LYS  27          2HG       LYS  27   6.744  -2.094   7.258
  203   1HD   LYS  27          1HD       LYS  27   4.599  -2.522   6.603
  204   2HD   LYS  27          2HD       LYS  27   4.683  -0.967   5.800
  205   1HE   LYS  27          1HE       LYS  27   5.530  -2.124   3.719
  206   2HE   LYS  27          2HE       LYS  27   5.345  -3.667   4.529
  207    H    THR  28           H        THR  28   8.912   1.652   4.906
  208    HA   THR  28           HA       THR  28  10.598   0.543   3.131
  209    HB   THR  28           HB       THR  28   9.580   2.961   3.382
  210    HG1  THR  28           HG1      THR  28  10.835   3.108   1.562
  211   1HG2  THR  28          1HG2      THR  28  12.402   3.319   4.524
  212   2HG2  THR  28          2HG2      THR  28  11.335   4.639   3.989
  213   3HG2  THR  28          3HG2      THR  28  10.888   3.649   5.400
  214    H    TYR  29           H        TYR  29  11.566   1.897   6.334
  215    HA   TYR  29           HA       TYR  29  14.310   1.476   5.958
  216   1HB   TYR  29          1HB       TYR  29  12.277   1.929   8.150
  217   2HB   TYR  29          2HB       TYR  29  13.806   1.261   8.688
  218    HD1  TYR  29           HD1      TYR  29  12.544   4.032   6.485
  219    HD2  TYR  29           HD2      TYR  29  15.466   2.747   9.334
  220    HE1  TYR  29           HE1      TYR  29  13.564   6.361   6.499
  221    HE2  TYR  29           HE2      TYR  29  16.477   5.080   9.338
  222    HH   TYR  29           HH       TYR  29  15.430   7.495   8.804
  223    H    GLN  30           H        GLN  30  11.688  -0.588   7.337
  224    HA   GLN  30           HA       GLN  30  13.288  -2.545   8.377
  225   1HB   GLN  30          1HB       GLN  30  10.485  -2.185   7.715
  226   2HB   GLN  30          2HB       GLN  30  10.970  -3.815   7.292
  227   1HG   GLN  30          1HG       GLN  30  11.922  -2.776   9.946
  228   2HG   GLN  30          2HG       GLN  30  10.207  -3.111   9.804
  229   1HE2  GLN  30          2HE2      GLN  30  12.119  -4.459  11.438
  230   2HE2  GLN  30          1HE2      GLN  30  12.175  -6.124  10.964
  231    H    PHE  31           H        PHE  31  12.793  -1.641   5.066
  232    HA   PHE  31           HA       PHE  31  13.831  -4.236   4.178
  233   1HB   PHE  31          1HB       PHE  31  11.669  -2.601   3.353
  234   2HB   PHE  31          2HB       PHE  31  12.920  -2.200   2.193
  235    HD1  PHE  31           HD1      PHE  31  12.969  -3.432   0.252
  236    HD2  PHE  31           HD2      PHE  31  11.457  -5.259   3.771
  237    HE1  PHE  31           HE1      PHE  31  12.417  -5.501  -1.058
  238    HE2  PHE  31           HE2      PHE  31  10.905  -7.327   2.461
  239    HZ   PHE  31           HZ       PHE  31  11.391  -7.424   0.062
  240    H    LEU  32           H        LEU  32  14.142  -0.648   3.762
  241    HA   LEU  32           HA       LEU  32  16.260  -0.630   2.025
  242   1HB   LEU  32          1HB       LEU  32  15.006   1.198   3.923
  243   2HB   LEU  32          2HB       LEU  32  16.718   1.510   3.718
  244    HG   LEU  32           HG       LEU  32  15.366   2.872   2.210
  245   1HD1  LEU  32          1HD1      LEU  32  17.639   1.471   1.560
  246   2HD1  LEU  32          2HD1      LEU  32  16.562   1.119   0.187
  247   3HD1  LEU  32          3HD1      LEU  32  16.933   2.806   0.619
  248   1HD2  LEU  32          1HD2      LEU  32  13.560   1.011   2.036
  249   2HD2  LEU  32          2HD2      LEU  32  13.859   2.077   0.642
  250   3HD2  LEU  32          3HD2      LEU  32  14.537   0.431   0.665
  251    H    PHE  33           H        PHE  33  16.170  -1.352   5.511
  252    HA   PHE  33           HA       PHE  33  18.830  -1.026   6.121
  253   1HB   PHE  33          1HB       PHE  33  16.676  -1.719   7.500
  254   2HB   PHE  33          2HB       PHE  33  17.046  -3.359   7.007
  255    HD1  PHE  33           HD1      PHE  33  18.886  -0.443   8.463
  256    HD2  PHE  33           HD2      PHE  33  18.188  -4.629   8.542
  257    HE1  PHE  33           HE1      PHE  33  20.464  -0.670  10.402
  258    HE2  PHE  33           HE2      PHE  33  19.766  -4.855  10.481
  259    HZ   PHE  33           HZ       PHE  33  20.885  -2.873  11.388
  260    H    SER  34           H        SER  34  17.351  -3.287   3.932
  261    HA   SER  34           HA       SER  34  19.925  -4.445   3.477
  262   1HB   SER  34          1HB       SER  34  18.366  -5.814   5.253
  263   2HB   SER  34          2HB       SER  34  17.771  -6.504   3.755
  264    HG   SER  34           HG       SER  34  19.507  -7.745   3.801
  265    H    ILE  35           H        ILE  35  19.876  -3.616   1.360
  266    HA   ILE  35           HA       ILE  35  17.917  -4.886  -0.384
  267    HB   ILE  35           HB       ILE  35  17.754  -2.629  -1.588
  268   1HG1  ILE  35          1HG1      ILE  35  17.827  -1.002   0.731
  269   2HG1  ILE  35          2HG1      ILE  35  19.353  -1.863   0.686
  270   1HG2  ILE  35          1HG2      ILE  35  15.995  -3.900  -0.195
  271   2HG2  ILE  35          2HG2      ILE  35  16.333  -2.691   1.067
  272   3HG2  ILE  35          3HG2      ILE  35  15.731  -2.171  -0.526
  273   1HD1  ILE  35          1HD1      ILE  35  19.491  -1.202  -1.812
  274   2HD1  ILE  35          2HD1      ILE  35  18.152  -0.080  -1.466
  275   3HD1  ILE  35          3HD1      ILE  35  19.709   0.105  -0.623
  276    H    GLY  36           H        GLY  36  20.877  -2.833  -0.046
  277   1HA   GLY  36          1HA       GLY  36  21.854  -3.566  -2.647
  278   2HA   GLY  36          2HA       GLY  36  22.617  -4.469  -1.354
  279    H    ARG  37           H        ARG  37  24.553  -3.205  -2.314
  280    HA   ARG  37           HA       ARG  37  24.602  -0.446  -1.618
  281   1HB   ARG  37          1HB       ARG  37  25.698  -2.497   0.195
  282   2HB   ARG  37          2HB       ARG  37  26.935  -1.363  -0.308
  283   1HG   ARG  37          1HG       ARG  37  24.963   0.419   0.234
  284   2HG   ARG  37          2HG       ARG  37  24.445  -0.869   1.303
  285   1HD   ARG  37          1HD       ARG  37  25.960  -0.068   2.804
  286   2HD   ARG  37          2HD       ARG  37  27.203  -0.754   1.776
  287    HE   ARG  37           HE       ARG  37  26.756   1.654   0.552
  288   1HH1  ARG  37          1HH1      ARG  37  27.746   3.649   1.066
  289   2HH1  ARG  37          2HH1      ARG  37  28.316   3.944   2.675
  290   1HH2  ARG  37          1HH2      ARG  37  27.321   0.802   3.919
  291   2HH2  ARG  37          2HH2      ARG  37  28.072   2.313   4.309
  292    H    CYS  38           H        CYS  38  25.020  -0.388  -3.963
  293    HA   CYS  38           HA       CYS  38  27.629  -0.093  -4.651
  294   1HB   CYS  38          1HB       CYS  38  27.136  -2.856  -4.438
  295   2HB   CYS  38          2HB       CYS  38  27.122  -2.526  -6.159
  296    HG   CYS  38           HG       CYS  38  29.516  -3.238  -4.761
  297    HA   PRO  39           HA       PRO  39  24.705  -0.317  -8.388
  298   1HB   PRO  39          1HB       PRO  39  22.258  -1.513  -8.165
  299   2HB   PRO  39          2HB       PRO  39  23.677  -2.340  -8.777
  300   1HG   PRO  39          1HG       PRO  39  22.368  -2.611  -6.140
  301   2HG   PRO  39          2HG       PRO  39  23.495  -3.700  -6.923
  302   1HD   PRO  39          1HD       PRO  39  24.073  -1.878  -4.785
  303   2HD   PRO  39          2HD       PRO  39  25.223  -2.882  -5.646
  304    H    ILE  40           H        ILE  40  24.786   1.910  -7.964
  305    HA   ILE  40           HA       ILE  40  22.838   3.061  -6.285
  306    HB   ILE  40           HB       ILE  40  24.565   4.271  -8.448
  307   1HG1  ILE  40          1HG1      ILE  40  25.072   4.321  -5.472
  308   2HG1  ILE  40          2HG1      ILE  40  25.664   3.017  -6.482
  309   1HG2  ILE  40          1HG2      ILE  40  22.434   5.404  -6.888
  310   2HG2  ILE  40          2HG2      ILE  40  23.982   6.144  -6.416
  311   3HG2  ILE  40          3HG2      ILE  40  23.467   6.169  -8.119
  312   1HD1  ILE  40          1HD1      ILE  40  26.281   5.488  -7.823
  313   2HD1  ILE  40          2HD1      ILE  40  26.791   5.637  -6.124
  314   3HD1  ILE  40          3HD1      ILE  40  27.409   4.301  -7.125
  315    H    LEU  41           H        LEU  41  22.965   2.175  -9.732
  316    HA   LEU  41           HA       LEU  41  20.119   2.684  -9.876
  317   1HB   LEU  41          1HB       LEU  41  20.236   4.032 -11.857
  318   2HB   LEU  41          2HB       LEU  41  21.080   4.817 -10.537
  319    HG   LEU  41           HG       LEU  41  22.875   3.195 -12.181
  320   1HD1  LEU  41          1HD1      LEU  41  21.153   5.277 -13.510
  321   2HD1  LEU  41          2HD1      LEU  41  22.811   4.952 -14.070
  322   3HD1  LEU  41          3HD1      LEU  41  21.599   3.649 -14.075
  323   1HD2  LEU  41          1HD2      LEU  41  23.516   4.904 -10.470
  324   2HD2  LEU  41          2HD2      LEU  41  24.275   5.130 -12.064
  325   3HD2  LEU  41          3HD2      LEU  41  22.909   6.161 -11.575
  326    H    ALA  42           H        ALA  42  20.711   0.233  -9.644
  327    HA   ALA  42           HA       ALA  42  20.377  -0.883 -12.244
  328   1HB   ALA  42          1HB       ALA  42  22.947  -0.465 -11.852
  329   2HB   ALA  42          2HB       ALA  42  22.821  -1.888 -10.790
  330   3HB   ALA  42          3HB       ALA  42  22.395  -2.022 -12.513
  331    H    THR  43           H        THR  43  18.394  -1.511 -11.183
  332    HA   THR  43           HA       THR  43  18.407  -2.968  -8.761
  333    HB   THR  43           HB       THR  43  16.469  -1.666  -9.685
  334    HG1  THR  43           HG1      THR  43  14.983  -3.488  -9.226
  335   1HG2  THR  43          1HG2      THR  43  16.927  -2.658 -12.123
  336   2HG2  THR  43          2HG2      THR  43  15.928  -4.007 -11.533
  337   3HG2  THR  43          3HG2      THR  43  15.256  -2.360 -11.589
  338    H    GLN  44           H        GLN  44  18.406  -3.950 -12.229
  339    HA   GLN  44           HA       GLN  44  19.277  -6.552 -11.279
  340   1HB   GLN  44          1HB       GLN  44  17.047  -6.025 -13.283
  341   2HB   GLN  44          2HB       GLN  44  17.853  -7.576 -13.158
  342   1HG   GLN  44          1HG       GLN  44  16.591  -6.214 -10.741
  343   2HG   GLN  44          2HG       GLN  44  15.673  -7.272 -11.794
  344   1HE2  GLN  44          2HE2      GLN  44  15.322  -8.763 -10.180
  345   2HE2  GLN  44          1HE2      GLN  44  16.543  -9.840  -9.589
  346    H    GLY  45           H        GLY  45  18.635  -4.603 -14.289
  347   1HA   GLY  45          1HA       GLY  45  21.421  -4.772 -15.036
  348   2HA   GLY  45          2HA       GLY  45  20.131  -3.930 -15.872
  349    HA   PRO  46           HA       PRO  46  20.553  -7.327 -18.633
  350   1HB   PRO  46          1HB       PRO  46  23.151  -7.788 -19.343
  351   2HB   PRO  46          2HB       PRO  46  22.199  -6.471 -19.997
  352   1HG   PRO  46          1HG       PRO  46  24.352  -6.375 -17.974
  353   2HG   PRO  46          2HG       PRO  46  23.693  -5.069 -18.939
  354   1HD   PRO  46          1HD       PRO  46  23.154  -5.599 -16.172
  355   2HD   PRO  46          2HD       PRO  46  22.408  -4.365 -17.167
  356    H    THR  47           H        THR  47  19.663  -8.627 -16.803
  357    HA   THR  47           HA       THR  47  19.800 -10.395 -15.403
  358    HB   THR  47           HB       THR  47  19.933 -12.400 -16.720
  359    HG1  THR  47           HG1      THR  47  21.600 -10.803 -18.526
  360   1HG2  THR  47          1HG2      THR  47  18.384 -10.552 -17.737
  361   2HG2  THR  47          2HG2      THR  47  19.688 -10.306 -18.923
  362   3HG2  THR  47          3HG2      THR  47  18.874 -11.884 -18.811
  363    H    CYS  48           H        CYS  48  21.577  -8.960 -14.268
  364    HA   CYS  48           HA       CYS  48  23.427  -8.930 -13.090
  365   1HB   CYS  48          1HB       CYS  48  22.520 -11.514 -12.858
  366   2HB   CYS  48          2HB       CYS  48  24.169 -11.772 -13.391
  367    HG   CYS  48           HG       CYS  48  23.279  -9.622 -11.039
  368    H    SER  49           H        SER  49  24.583  -7.628 -14.639
  369    HA   SER  49           HA       SER  49  25.968  -7.177 -16.284
  370   1HB   SER  49          1HB       SER  49  27.485  -9.333 -14.759
  371   2HB   SER  49          2HB       SER  49  28.239  -8.349 -15.997
  372    HG   SER  49           HG       SER  49  27.188  -7.543 -13.446

  No H/Q in entry =         372
  Start of MODEL   29
    1    H    MET   1           H        MET   1  -4.695  46.111  -3.399
    2    HA   MET   1           HA       MET   1  -3.127  47.197  -4.642
    3   1HB   MET   1          1HB       MET   1  -5.115  48.188  -6.070
    4   2HB   MET   1          2HB       MET   1  -5.033  49.561  -4.985
    5   1HG   MET   1          1HG       MET   1  -2.905  50.222  -5.746
    6   2HG   MET   1          2HG       MET   1  -2.463  48.603  -6.252
    7   1HE   MET   1          1HE       MET   1  -1.773  48.584  -8.373
    8   2HE   MET   1          2HE       MET   1  -3.185  47.576  -8.771
    9   3HE   MET   1          3HE       MET   1  -2.717  48.916  -9.845
   10    H    VAL   2           H        VAL   2  -5.018  48.003  -1.944
   11    HA   VAL   2           HA       VAL   2  -2.831  49.637  -0.901
   12    HB   VAL   2           HB       VAL   2  -4.517  51.095   0.203
   13   1HG1  VAL   2          1HG1      VAL   2  -4.037  51.016  -2.745
   14   2HG1  VAL   2          2HG1      VAL   2  -5.239  52.175  -2.130
   15   3HG1  VAL   2          3HG1      VAL   2  -3.561  52.233  -1.537
   16   1HG2  VAL   2          1HG2      VAL   2  -6.370  49.251  -0.404
   17   2HG2  VAL   2          2HG2      VAL   2  -6.767  50.968  -0.150
   18   3HG2  VAL   2          3HG2      VAL   2  -6.587  50.330  -1.802
   19    H    ALA   3           H        ALA   3  -2.676  47.088  -0.353
   20    HA   ALA   3           HA       ALA   3  -3.395  46.951   2.416
   21   1HB   ALA   3          1HB       ALA   3  -4.504  44.820   0.555
   22   2HB   ALA   3          2HB       ALA   3  -4.787  44.999   2.303
   23   3HB   ALA   3          3HB       ALA   3  -5.472  46.183   1.164
   24    H    ALA   4           H        ALA   4  -3.143  43.857   2.029
   25    HA   ALA   4           HA       ALA   4  -0.458  43.603   1.023
   26   1HB   ALA   4          1HB       ALA   4  -0.379  44.528   3.458
   27   2HB   ALA   4          2HB       ALA   4  -0.907  42.895   3.930
   28   3HB   ALA   4          3HB       ALA   4   0.626  43.116   3.053
   29    H    ALA   5           H        ALA   5  -2.802  42.001   3.304
   30    HA   ALA   5           HA       ALA   5  -3.258  39.925   1.370
   31   1HB   ALA   5          1HB       ALA   5  -2.083  38.219   2.326
   32   2HB   ALA   5          2HB       ALA   5  -2.316  38.843   3.976
   33   3HB   ALA   5          3HB       ALA   5  -1.058  39.544   2.930
   34    H    MET   6           H        MET   6  -3.481  40.796   4.894
   35    HA   MET   6           HA       MET   6  -5.132  40.452   6.319
   36   1HB   MET   6          1HB       MET   6  -7.094  41.877   5.785
   37   2HB   MET   6          2HB       MET   6  -5.637  42.654   5.197
   38   1HG   MET   6          1HG       MET   6  -6.071  41.870   2.905
   39   2HG   MET   6          2HG       MET   6  -7.427  40.901   3.447
   40   1HE   MET   6          1HE       MET   6  -8.757  42.147   1.490
   41   2HE   MET   6          2HE       MET   6  -9.011  43.908   1.430
   42   3HE   MET   6          3HE       MET   6  -7.390  43.232   1.141
   43    H    LEU   7           H        LEU   7  -4.759  38.105   4.658
   44    HA   LEU   7           HA       LEU   7  -7.436  37.009   4.921
   45   1HB   LEU   7          1HB       LEU   7  -6.120  37.555   2.382
   46   2HB   LEU   7          2HB       LEU   7  -6.516  35.858   2.569
   47    HG   LEU   7           HG       LEU   7  -8.657  37.828   3.224
   48   1HD1  LEU   7          1HD1      LEU   7  -7.413  38.533   1.048
   49   2HD1  LEU   7          2HD1      LEU   7  -8.230  37.121   0.337
   50   3HD1  LEU   7          3HD1      LEU   7  -9.190  38.435   1.059
   51   1HD2  LEU   7          1HD2      LEU   7  -8.406  35.009   2.621
   52   2HD2  LEU   7          2HD2      LEU   7  -9.772  35.910   3.321
   53   3HD2  LEU   7          3HD2      LEU   7  -9.599  35.787   1.554
   54    H    LEU   8           H        LEU   8  -4.071  36.227   3.779
   55    HA   LEU   8           HA       LEU   8  -2.656  34.649   4.395
   56   1HB   LEU   8          1HB       LEU   8  -4.329  34.643   6.906
   57   2HB   LEU   8          2HB       LEU   8  -2.876  33.682   6.713
   58    HG   LEU   8           HG       LEU   8  -2.721  36.635   6.220
   59   1HD1  LEU   8          1HD1      LEU   8  -2.814  35.353   8.963
   60   2HD1  LEU   8          2HD1      LEU   8  -2.259  37.010   8.627
   61   3HD1  LEU   8          3HD1      LEU   8  -3.947  36.553   8.295
   62   1HD2  LEU   8          1HD2      LEU   8  -0.826  34.497   7.202
   63   2HD2  LEU   8          2HD2      LEU   8  -0.735  35.466   5.711
   64   3HD2  LEU   8          3HD2      LEU   8  -0.455  36.236   7.292
   65    H    ARG   9           H        ARG   9  -2.930  33.089   2.845
   66    HA   ARG   9           HA       ARG   9  -4.085  30.703   3.635
   67   1HB   ARG   9          1HB       ARG   9  -5.951  30.568   1.947
   68   2HB   ARG   9          2HB       ARG   9  -6.254  31.764   3.192
   69   1HG   ARG   9          1HG       ARG   9  -5.536  33.584   1.698
   70   2HG   ARG   9          2HG       ARG   9  -5.036  32.434   0.473
   71   1HD   ARG   9          1HD       ARG   9  -7.846  32.048   1.333
   72   2HD   ARG   9          2HD       ARG   9  -7.556  33.633   0.646
   73    HE   ARG   9           HE       ARG   9  -6.307  32.039  -1.183
   74   1HH1  ARG   9          1HH1      ARG   9  -7.260  30.990  -2.975
   75   2HH1  ARG   9          2HH1      ARG   9  -8.933  30.542  -2.927
   76   1HH2  ARG   9          1HH2      ARG   9  -9.482  31.804   0.315
   77   2HH2  ARG   9          2HH2      ARG   9 -10.205  31.009  -1.043
   78    H    SER  10           H        SER  10  -1.575  31.482   2.652
   79    HA   SER  10           HA       SER  10  -1.355  29.762   0.436
   80   1HB   SER  10          1HB       SER  10  -1.289  32.734  -0.010
   81   2HB   SER  10          2HB       SER  10  -0.101  31.772  -0.867
   82    HG   SER  10           HG       SER  10  -1.725  31.563  -2.275
   83    H    CYS  11           H        CYS  11  -0.263  29.446   2.885
   84    HA   CYS  11           HA       CYS  11   2.545  30.001   2.374
   85   1HB   CYS  11          1HB       CYS  11   1.035  30.837   4.849
   86   2HB   CYS  11          2HB       CYS  11   2.743  30.450   4.932
   87    HG   CYS  11           HG       CYS  11   2.716  32.008   2.379
   88    HA   PRO  12           HA       PRO  12   2.753  25.860   3.715
   89   1HB   PRO  12          1HB       PRO  12   5.395  25.630   4.373
   90   2HB   PRO  12          2HB       PRO  12   4.808  25.557   2.723
   91   1HG   PRO  12          1HG       PRO  12   6.218  27.765   4.092
   92   2HG   PRO  12          2HG       PRO  12   6.005  27.497   2.374
   93   1HD   PRO  12          1HD       PRO  12   4.583  29.379   4.006
   94   2HD   PRO  12          2HD       PRO  12   4.291  29.028   2.314
   95    H    VAL  13           H        VAL  13   2.759  24.386   5.464
   96    HA   VAL  13           HA       VAL  13   3.371  25.625   8.022
   97    HB   VAL  13           HB       VAL  13   0.659  24.571   7.213
   98   1HG1  VAL  13          1HG1      VAL  13   1.980  24.552   9.827
   99   2HG1  VAL  13          2HG1      VAL  13   0.439  25.443   9.836
  100   3HG1  VAL  13          3HG1      VAL  13   0.485  23.748   9.292
  101   1HG2  VAL  13          1HG2      VAL  13   1.155  26.950   6.689
  102   2HG2  VAL  13          2HG2      VAL  13  -0.153  26.757   7.881
  103   3HG2  VAL  13          3HG2      VAL  13   1.475  27.237   8.417
  104    H    LEU  14           H        LEU  14   1.905  22.696   6.438
  105    HA   LEU  14           HA       LEU  14   3.961  21.115   7.780
  106   1HB   LEU  14          1HB       LEU  14   0.985  20.741   8.001
  107   2HB   LEU  14          2HB       LEU  14   2.091  19.395   8.189
  108    HG   LEU  14           HG       LEU  14   2.717  21.783   9.829
  109   1HD1  LEU  14          1HD1      LEU  14   0.199  21.668   9.841
  110   2HD1  LEU  14          2HD1      LEU  14   0.350  20.064  10.598
  111   3HD1  LEU  14          3HD1      LEU  14   0.984  21.504  11.430
  112   1HD2  LEU  14          1HD2      LEU  14   3.469  19.105   9.751
  113   2HD2  LEU  14          2HD2      LEU  14   3.849  20.289  11.025
  114   3HD2  LEU  14          3HD2      LEU  14   2.427  19.230  11.188
  115    H    SER  15           H        SER  15   1.071  20.832   5.586
  116    HA   SER  15           HA       SER  15   0.955  20.188   3.497
  117   1HB   SER  15          1HB       SER  15   3.337  21.201   3.282
  118   2HB   SER  15          2HB       SER  15   3.928  19.557   3.418
  119    HG   SER  15           HG       SER  15   2.740  18.978   1.526
  120    H    GLN  16           H        GLN  16   3.519  18.222   5.185
  121    HA   GLN  16           HA       GLN  16   1.796  15.917   4.749
  122   1HB   GLN  16          1HB       GLN  16   4.463  16.368   3.670
  123   2HB   GLN  16          2HB       GLN  16   4.482  14.977   4.736
  124   1HG   GLN  16          1HG       GLN  16   2.653  13.917   3.496
  125   2HG   GLN  16          2HG       GLN  16   2.403  15.359   2.533
  126   1HE2  GLN  16          2HE2      GLN  16   3.372  12.420   2.175
  127   2HE2  GLN  16          1HE2      GLN  16   4.711  12.550   1.084
  128    H    GLY  17           H        GLY  17   1.185  16.662   7.025
  129   1HA   GLY  17          1HA       GLY  17   2.095  16.994   9.284
  130   2HA   GLY  17          2HA       GLY  17   3.158  15.634   8.979
  131    HA   PRO  18           HA       PRO  18  -0.996  14.250  10.594
  132   1HB   PRO  18          1HB       PRO  18  -3.315  15.557   9.977
  133   2HB   PRO  18          2HB       PRO  18  -2.331  15.957  11.371
  134   1HG   PRO  18          1HG       PRO  18  -2.603  17.417   8.815
  135   2HG   PRO  18          2HG       PRO  18  -1.982  17.994  10.349
  136   1HD   PRO  18          1HD       PRO  18  -0.443  17.251   8.045
  137   2HD   PRO  18          2HD       PRO  18   0.179  17.718   9.615
  138    H    THR  19           H        THR  19  -0.029  12.836   8.784
  139    HA   THR  19           HA       THR  19  -2.364  11.996   7.230
  140    HB   THR  19           HB       THR  19   0.419  12.692   6.168
  141    HG1  THR  19           HG1      THR  19  -0.869  14.453   5.766
  142   1HG2  THR  19          1HG2      THR  19  -0.880  10.479   5.276
  143   2HG2  THR  19          2HG2      THR  19  -1.805  11.714   4.389
  144   3HG2  THR  19          3HG2      THR  19  -0.044  11.589   4.163
  145    H    GLY  20           H        GLY  20   1.116  11.185   7.886
  146   1HA   GLY  20          1HA       GLY  20   0.273   8.373   8.145
  147   2HA   GLY  20          2HA       GLY  20   1.160   9.149   9.442
  148    H    LEU  21           H        LEU  21   3.183  10.542   8.473
  149    HA   LEU  21           HA       LEU  21   4.457   8.953   6.380
  150   1HB   LEU  21          1HB       LEU  21   6.168  10.945   6.728
  151   2HB   LEU  21          2HB       LEU  21   4.763  11.061   5.686
  152    HG   LEU  21           HG       LEU  21   5.176  13.049   7.151
  153   1HD1  LEU  21          1HD1      LEU  21   2.694  11.648   6.666
  154   2HD1  LEU  21          2HD1      LEU  21   2.600  12.608   8.162
  155   3HD1  LEU  21          3HD1      LEU  21   3.046  13.392   6.628
  156   1HD2  LEU  21          1HD2      LEU  21   5.458  11.124   9.167
  157   2HD2  LEU  21          2HD2      LEU  21   5.456  12.894   9.348
  158   3HD2  LEU  21          3HD2      LEU  21   3.942  11.979   9.538
  159    H    LEU  22           H        LEU  22   4.149   7.481   8.664
  160    HA   LEU  22           HA       LEU  22   6.898   7.445   9.673
  161   1HB   LEU  22          1HB       LEU  22   5.501   8.519  11.352
  162   2HB   LEU  22          2HB       LEU  22   4.384   7.169  11.325
  163    HG   LEU  22           HG       LEU  22   6.624   5.820  11.942
  164   1HD1  LEU  22          1HD1      LEU  22   7.995   7.904  11.863
  165   2HD1  LEU  22          2HD1      LEU  22   7.074   8.509  13.261
  166   3HD1  LEU  22          3HD1      LEU  22   8.067   7.040  13.417
  167   1HD2  LEU  22          1HD2      LEU  22   4.307   6.735  13.300
  168   2HD2  LEU  22          2HD2      LEU  22   5.343   5.340  13.685
  169   3HD2  LEU  22          3HD2      LEU  22   5.688   6.931  14.407
  170    H    GLY  23           H        GLY  23   3.761   5.601   9.711
  171   1HA   GLY  23          1HA       GLY  23   3.320   3.441   9.286
  172   2HA   GLY  23          2HA       GLY  23   4.910   3.070   9.920
  173    H    LYS  24           H        LYS  24   4.010   5.052   7.024
  174    HA   LYS  24           HA       LYS  24   4.700   2.988   5.202
  175   1HB   LYS  24          1HB       LYS  24   4.254   4.619   3.500
  176   2HB   LYS  24          2HB       LYS  24   3.031   4.767   4.746
  177   1HG   LYS  24          1HG       LYS  24   3.855   6.816   5.522
  178   2HG   LYS  24          2HG       LYS  24   5.499   6.472   5.023
  179   1HD   LYS  24          1HD       LYS  24   5.047   6.985   2.734
  180   2HD   LYS  24          2HD       LYS  24   3.315   6.825   2.943
  181   1HE   LYS  24          1HE       LYS  24   3.634   9.172   2.873
  182   2HE   LYS  24          2HE       LYS  24   3.502   8.841   4.588
  183    H    VAL  25           H        VAL  25   6.502   5.203   7.145
  184    HA   VAL  25           HA       VAL  25   8.776   5.106   5.318
  185    HB   VAL  25           HB       VAL  25   8.200   6.657   7.846
  186   1HG1  VAL  25          1HG1      VAL  25  10.748   6.128   6.441
  187   2HG1  VAL  25          2HG1      VAL  25  10.418   7.842   6.788
  188   3HG1  VAL  25          3HG1      VAL  25  10.443   6.654   8.114
  189   1HG2  VAL  25          1HG2      VAL  25   7.757   7.139   5.015
  190   2HG2  VAL  25          2HG2      VAL  25   7.205   8.069   6.429
  191   3HG2  VAL  25          3HG2      VAL  25   8.810   8.386   5.726
  192    H    ALA  26           H        ALA  26   7.402   3.586   8.142
  193    HA   ALA  26           HA       ALA  26   9.847   2.738   9.303
  194   1HB   ALA  26          1HB       ALA  26   7.442   1.082   9.749
  195   2HB   ALA  26          2HB       ALA  26   8.469   1.944  10.919
  196   3HB   ALA  26          3HB       ALA  26   7.190   2.820  10.043
  197    H    LYS  27           H        LYS  27   7.289   0.954   7.423
  198    HA   LYS  27           HA       LYS  27   8.667  -1.392   7.134
  199   1HB   LYS  27          1HB       LYS  27   7.122  -1.925   5.423
  200   2HB   LYS  27          2HB       LYS  27   6.264  -0.900   6.555
  201   1HG   LYS  27          1HG       LYS  27   6.810   1.092   5.061
  202   2HG   LYS  27          2HG       LYS  27   7.488  -0.029   3.896
  203   1HD   LYS  27          1HD       LYS  27   5.097  -1.243   4.229
  204   2HD   LYS  27          2HD       LYS  27   4.611   0.375   4.694
  205   1HE   LYS  27          1HE       LYS  27   4.571   1.037   2.524
  206   2HE   LYS  27          2HE       LYS  27   6.246   0.571   2.312
  207    H    THR  28           H        THR  28   8.752   1.546   5.017
  208    HA   THR  28           HA       THR  28  10.369   0.641   3.024
  209    HB   THR  28           HB       THR  28  10.224   3.334   4.468
  210    HG1  THR  28           HG1      THR  28   8.863   3.667   2.526
  211   1HG2  THR  28          1HG2      THR  28  11.585   2.513   1.859
  212   2HG2  THR  28          2HG2      THR  28  11.016   4.174   2.148
  213   3HG2  THR  28          3HG2      THR  28  12.275   3.471   3.190
  214    H    TYR  29           H        TYR  29  11.555   2.154   6.105
  215    HA   TYR  29           HA       TYR  29  14.247   1.630   5.546
  216   1HB   TYR  29          1HB       TYR  29  12.813   3.082   7.344
  217   2HB   TYR  29          2HB       TYR  29  12.995   1.645   8.331
  218    HD1  TYR  29           HD1      TYR  29  15.419   0.777   8.718
  219    HD2  TYR  29           HD2      TYR  29  14.505   4.709   7.301
  220    HE1  TYR  29           HE1      TYR  29  17.713   1.585   9.458
  221    HE2  TYR  29           HE2      TYR  29  16.802   5.504   8.046
  222    HH   TYR  29           HH       TYR  29  18.801   3.599  10.061
  223    H    GLN  30           H        GLN  30  11.679  -0.287   7.168
  224    HA   GLN  30           HA       GLN  30  13.322  -2.152   8.339
  225   1HB   GLN  30          1HB       GLN  30  10.503  -1.796   7.828
  226   2HB   GLN  30          2HB       GLN  30  10.921  -3.454   7.444
  227   1HG   GLN  30          1HG       GLN  30  11.434  -3.984   9.633
  228   2HG   GLN  30          2HG       GLN  30  12.129  -2.411   9.967
  229   1HE2  GLN  30          2HE2      GLN  30   9.734  -4.404  10.797
  230   2HE2  GLN  30          1HE2      GLN  30   8.495  -3.301  11.297
  231    H    PHE  31           H        PHE  31  12.724  -1.513   4.995
  232    HA   PHE  31           HA       PHE  31  13.643  -4.203   4.277
  233   1HB   PHE  31          1HB       PHE  31  11.487  -2.654   3.411
  234   2HB   PHE  31          2HB       PHE  31  12.703  -2.202   2.234
  235    HD1  PHE  31           HD1      PHE  31  13.141  -3.584   0.399
  236    HD2  PHE  31           HD2      PHE  31  11.008  -5.160   3.712
  237    HE1  PHE  31           HE1      PHE  31  12.647  -5.668  -0.910
  238    HE2  PHE  31           HE2      PHE  31  10.515  -7.244   2.403
  239    HZ   PHE  31           HZ       PHE  31  11.340  -7.473   0.108
  240    H    LEU  32           H        LEU  32  14.298  -0.703   4.085
  241    HA   LEU  32           HA       LEU  32  16.619  -1.235   2.399
  242   1HB   LEU  32          1HB       LEU  32  15.162   1.276   3.203
  243   2HB   LEU  32          2HB       LEU  32  16.726   1.309   2.413
  244    HG   LEU  32           HG       LEU  32  15.219  -0.372   0.785
  245   1HD1  LEU  32          1HD1      LEU  32  13.479   1.793   1.950
  246   2HD1  LEU  32          2HD1      LEU  32  13.223   1.185   0.297
  247   3HD1  LEU  32          3HD1      LEU  32  13.114   0.071   1.681
  248   1HD2  LEU  32          1HD2      LEU  32  15.867   2.576   0.550
  249   2HD2  LEU  32          2HD2      LEU  32  16.815   1.197  -0.058
  250   3HD2  LEU  32          3HD2      LEU  32  15.234   1.579  -0.782
  251    H    PHE  33           H        PHE  33  16.283  -2.082   5.303
  252    HA   PHE  33           HA       PHE  33  18.151  -0.343   6.656
  253   1HB   PHE  33          1HB       PHE  33  16.375  -1.239   8.018
  254   2HB   PHE  33          2HB       PHE  33  16.444  -2.803   7.231
  255    HD1  PHE  33           HD1      PHE  33  18.875  -0.656   9.101
  256    HD2  PHE  33           HD2      PHE  33  17.121  -4.492   8.629
  257    HE1  PHE  33           HE1      PHE  33  20.294  -1.536  10.975
  258    HE2  PHE  33           HE2      PHE  33  18.540  -5.371  10.503
  259    HZ   PHE  33           HZ       PHE  33  20.110  -3.883  11.654
  260    H    SER  34           H        SER  34  17.957  -3.878   5.801
  261    HA   SER  34           HA       SER  34  20.708  -4.199   6.399
  262   1HB   SER  34          1HB       SER  34  18.573  -5.898   6.317
  263   2HB   SER  34          2HB       SER  34  19.281  -6.250   4.753
  264    HG   SER  34           HG       SER  34  20.648  -6.363   7.306
  265    H    ILE  35           H        ILE  35  20.905  -2.172   4.709
  266    HA   ILE  35           HA       ILE  35  21.492  -3.380   2.095
  267    HB   ILE  35           HB       ILE  35  20.622  -0.576   2.795
  268   1HG1  ILE  35          1HG1      ILE  35  18.723  -1.977   2.782
  269   2HG1  ILE  35          2HG1      ILE  35  18.732  -1.168   1.227
  270   1HG2  ILE  35          1HG2      ILE  35  22.443  -0.926   0.945
  271   2HG2  ILE  35          2HG2      ILE  35  21.065  -1.510  -0.019
  272   3HG2  ILE  35          3HG2      ILE  35  21.048   0.139   0.649
  273   1HD1  ILE  35          1HD1      ILE  35  20.106  -3.301   0.437
  274   2HD1  ILE  35          2HD1      ILE  35  19.362  -4.050   1.871
  275   3HD1  ILE  35          3HD1      ILE  35  18.333  -3.381   0.582
  276    H    GLY  36           H        GLY  36  22.495  -0.134   3.127
  277   1HA   GLY  36          1HA       GLY  36  24.771   0.465   2.598
  278   2HA   GLY  36          2HA       GLY  36  25.286  -1.111   3.164
  279    H    ARG  37           H        ARG  37  26.383  -0.928   5.066
  280    HA   ARG  37           HA       ARG  37  26.439   1.203   6.668
  281   1HB   ARG  37          1HB       ARG  37  23.906  -0.109   7.022
  282   2HB   ARG  37          2HB       ARG  37  24.841  -0.432   8.468
  283   1HG   ARG  37          1HG       ARG  37  25.197   1.936   8.877
  284   2HG   ARG  37          2HG       ARG  37  24.582   2.370   7.295
  285   1HD   ARG  37          1HD       ARG  37  22.625   2.743   8.449
  286   2HD   ARG  37          2HD       ARG  37  22.409   1.016   8.246
  287    HE   ARG  37           HE       ARG  37  23.902   1.161  10.562
  288   1HH1  ARG  37          1HH1      ARG  37  23.058   1.340  12.678
  289   2HH1  ARG  37          2HH1      ARG  37  21.504   2.062  12.932
  290   1HH2  ARG  37          1HH2      ARG  37  20.920   2.711   9.519
  291   2HH2  ARG  37          2HH2      ARG  37  20.280   2.847  11.123
  292    H    CYS  38           H        CYS  38  26.351  -2.334   6.344
  293    HA   CYS  38           HA       CYS  38  28.770  -2.466   7.936
  294   1HB   CYS  38          1HB       CYS  38  28.009  -4.366   9.253
  295   2HB   CYS  38          2HB       CYS  38  26.988  -2.974   9.551
  296    HG   CYS  38           HG       CYS  38  25.195  -4.641   9.460
  297    HA   PRO  39           HA       PRO  39  29.720  -5.200   4.679
  298   1HB   PRO  39          1HB       PRO  39  31.813  -6.605   5.734
  299   2HB   PRO  39          2HB       PRO  39  31.982  -4.996   5.059
  300   1HG   PRO  39          1HG       PRO  39  31.963  -5.822   7.897
  301   2HG   PRO  39          2HG       PRO  39  32.544  -4.326   7.193
  302   1HD   PRO  39          1HD       PRO  39  30.080  -4.713   8.609
  303   2HD   PRO  39          2HD       PRO  39  30.607  -3.248   7.805
  304    H    ILE  40           H        ILE  40  27.531  -6.142   4.920
  305    HA   ILE  40           HA       ILE  40  27.196  -8.421   6.483
  306    HB   ILE  40           HB       ILE  40  25.334  -7.184   5.665
  307   1HG1  ILE  40          1HG1      ILE  40  24.956  -9.664   4.068
  308   2HG1  ILE  40          2HG1      ILE  40  25.441  -9.884   5.737
  309   1HG2  ILE  40          1HG2      ILE  40  26.621  -7.598   3.012
  310   2HG2  ILE  40          2HG2      ILE  40  24.842  -7.572   3.071
  311   3HG2  ILE  40          3HG2      ILE  40  25.774  -6.180   3.675
  312   1HD1  ILE  40          1HD1      ILE  40  23.558  -8.290   6.406
  313   2HD1  ILE  40          2HD1      ILE  40  23.008  -8.359   4.714
  314   3HD1  ILE  40          3HD1      ILE  40  23.026  -9.838   5.705
  315    H    LEU  41           H        LEU  41  28.747  -7.886   3.343
  316    HA   LEU  41           HA       LEU  41  29.833 -10.529   3.457
  317   1HB   LEU  41          1HB       LEU  41  29.007 -11.227   1.251
  318   2HB   LEU  41          2HB       LEU  41  27.758 -11.145   2.477
  319    HG   LEU  41           HG       LEU  41  27.639  -8.637   1.282
  320   1HD1  LEU  41          1HD1      LEU  41  28.695 -10.611  -0.642
  321   2HD1  LEU  41          2HD1      LEU  41  27.277  -9.689  -1.196
  322   3HD1  LEU  41          3HD1      LEU  41  28.744  -8.832  -0.665
  323   1HD2  LEU  41          1HD2      LEU  41  25.904 -10.573   1.957
  324   2HD2  LEU  41          2HD2      LEU  41  25.474  -9.188   0.926
  325   3HD2  LEU  41          3HD2      LEU  41  25.872 -10.757   0.187
  326    H    ALA  42           H        ALA  42  31.517  -8.734   3.818
  327    HA   ALA  42           HA       ALA  42  33.166  -7.437   3.083
  328   1HB   ALA  42          1HB       ALA  42  33.114  -9.892   1.600
  329   2HB   ALA  42          2HB       ALA  42  34.521  -8.897   2.049
  330   3HB   ALA  42          3HB       ALA  42  33.672  -8.597   0.513
  331    H    THR  43           H        THR  43  31.511  -5.654   2.913
  332    HA   THR  43           HA       THR  43  30.470  -5.036   0.326
  333    HB   THR  43           HB       THR  43  30.636  -3.641   3.035
  334    HG1  THR  43           HG1      THR  43  28.283  -4.089   2.713
  335   1HG2  THR  43          1HG2      THR  43  30.233  -2.364   0.477
  336   2HG2  THR  43          2HG2      THR  43  28.648  -2.497   1.275
  337   3HG2  THR  43          3HG2      THR  43  29.990  -1.664   2.096
  338    H    GLN  44           H        GLN  44  32.932  -3.355   2.403
  339    HA   GLN  44           HA       GLN  44  34.791  -3.157   0.401
  340   1HB   GLN  44          1HB       GLN  44  32.618  -1.255   0.081
  341   2HB   GLN  44          2HB       GLN  44  34.101  -0.387   0.426
  342   1HG   GLN  44          1HG       GLN  44  35.262  -1.547  -1.420
  343   2HG   GLN  44          2HG       GLN  44  33.856  -2.550  -1.718
  344   1HE2  GLN  44          2HE2      GLN  44  35.505   0.105  -2.701
  345   2HE2  GLN  44          1HE2      GLN  44  34.268   0.991  -3.528
  346    H    GLY  45           H        GLY  45  35.602  -3.824   2.647
  347   1HA   GLY  45          1HA       GLY  45  35.721  -2.014   4.783
  348   2HA   GLY  45          2HA       GLY  45  37.122  -1.743   3.767
  349    HA   PRO  46           HA       PRO  46  38.531  -5.867   4.780
  350   1HB   PRO  46          1HB       PRO  46  41.182  -5.423   4.289
  351   2HB   PRO  46          2HB       PRO  46  40.071  -6.023   3.075
  352   1HG   PRO  46          1HG       PRO  46  41.222  -3.315   3.358
  353   2HG   PRO  46          2HG       PRO  46  40.470  -4.047   1.954
  354   1HD   PRO  46          1HD       PRO  46  39.296  -2.112   3.717
  355   2HD   PRO  46          2HD       PRO  46  38.507  -2.930   2.383
  356    H    THR  47           H        THR  47  40.182  -6.753   6.367
  357    HA   THR  47           HA       THR  47  40.853  -6.762   8.488
  358    HB   THR  47           HB       THR  47  41.616  -3.942   7.599
  359    HG1  THR  47           HG1      THR  47  43.091  -6.382   8.282
  360   1HG2  THR  47          1HG2      THR  47  41.697  -5.102  10.303
  361   2HG2  THR  47          2HG2      THR  47  43.335  -4.795   9.678
  362   3HG2  THR  47          3HG2      THR  47  42.156  -3.466   9.774
  363    H    CYS  48           H        CYS  48  39.201  -7.181   9.840
  364    HA   CYS  48           HA       CYS  48  37.254  -5.119  10.323
  365   1HB   CYS  48          1HB       CYS  48  37.505  -7.981  11.289
  366   2HB   CYS  48          2HB       CYS  48  36.234  -6.899  11.824
  367    HG   CYS  48           HG       CYS  48  34.798  -7.064   9.945
  368    H    SER  49           H        SER  49  39.401  -7.243  12.371
  369    HA   SER  49           HA       SER  49  40.051  -4.918  13.941
  370   1HB   SER  49          1HB       SER  49  38.738  -7.410  15.104
  371   2HB   SER  49          2HB       SER  49  39.578  -6.224  16.083
  372    HG   SER  49           HG       SER  49  37.712  -5.184  16.129

  No H/Q in entry =         372
  Start of MODEL   30
    1    H    MET   1           H        MET   1   1.825  42.013  -7.273
    2    HA   MET   1           HA       MET   1   0.644  43.169  -5.136
    3   1HB   MET   1          1HB       MET   1  -0.189  41.038  -7.135
    4   2HB   MET   1          2HB       MET   1  -1.302  41.440  -5.842
    5   1HG   MET   1          1HG       MET   1  -1.889  43.406  -6.835
    6   2HG   MET   1          2HG       MET   1  -0.216  43.878  -7.055
    7   1HE   MET   1          1HE       MET   1  -2.152  40.760  -8.089
    8   2HE   MET   1          2HE       MET   1  -3.301  41.941  -8.762
    9   3HE   MET   1          3HE       MET   1  -2.347  40.907  -9.852
   10    H    VAL   2           H        VAL   2   2.491  40.329  -5.054
   11    HA   VAL   2           HA       VAL   2   2.848  38.776  -3.524
   12    HB   VAL   2           HB       VAL   2   1.263  40.701  -1.819
   13   1HG1  VAL   2          1HG1      VAL   2   2.070  37.990  -1.230
   14   2HG1  VAL   2          2HG1      VAL   2   2.943  39.132  -0.181
   15   3HG1  VAL   2          3HG1      VAL   2   1.164  39.145  -0.224
   16   1HG2  VAL   2          1HG2      VAL   2   3.722  41.050  -2.931
   17   2HG2  VAL   2          2HG2      VAL   2   3.202  41.784  -1.394
   18   3HG2  VAL   2          3HG2      VAL   2   4.162  40.285  -1.385
   19    H    ALA   3           H        ALA   3   2.004  36.771  -3.705
   20    HA   ALA   3           HA       ALA   3   0.483  35.192  -4.111
   21   1HB   ALA   3          1HB       ALA   3   0.037  34.721  -1.951
   22   2HB   ALA   3          2HB       ALA   3  -1.474  35.636  -2.167
   23   3HB   ALA   3          3HB       ALA   3  -0.030  36.445  -1.513
   24    H    ALA   4           H        ALA   4  -0.304  35.736  -6.179
   25    HA   ALA   4           HA       ALA   4  -1.947  37.724  -6.915
   26   1HB   ALA   4          1HB       ALA   4  -2.795  36.113  -8.657
   27   2HB   ALA   4          2HB       ALA   4  -1.023  36.132  -8.488
   28   3HB   ALA   4          3HB       ALA   4  -1.972  34.805  -7.774
   29    H    ALA   5           H        ALA   5  -3.131  34.459  -5.819
   30    HA   ALA   5           HA       ALA   5  -4.986  33.853  -4.776
   31   1HB   ALA   5          1HB       ALA   5  -4.321  36.420  -3.669
   32   2HB   ALA   5          2HB       ALA   5  -5.189  35.069  -2.900
   33   3HB   ALA   5          3HB       ALA   5  -6.092  36.306  -3.808
   34    H    MET   6           H        MET   6  -6.070  33.193  -6.668
   35    HA   MET   6           HA       MET   6  -8.444  34.533  -7.180
   36   1HB   MET   6          1HB       MET   6  -6.141  35.460  -8.698
   37   2HB   MET   6          2HB       MET   6  -7.219  34.632  -9.804
   38   1HG   MET   6          1HG       MET   6  -8.786  36.295  -9.699
   39   2HG   MET   6          2HG       MET   6  -8.694  36.391  -7.952
   40   1HE   MET   6          1HE       MET   6  -9.222  38.935  -8.683
   41   2HE   MET   6          2HE       MET   6  -8.001  40.037  -9.364
   42   3HE   MET   6          3HE       MET   6  -8.780  38.821 -10.404
   43    H    LEU   7           H        LEU   7  -9.060  32.302  -6.722
   44    HA   LEU   7           HA       LEU   7  -9.929  30.401  -7.496
   45   1HB   LEU   7          1HB       LEU   7  -9.426  31.750  -9.870
   46   2HB   LEU   7          2HB       LEU   7  -8.622  30.209 -10.091
   47    HG   LEU   7           HG       LEU   7 -10.894  29.199  -9.252
   48   1HD1  LEU   7          1HD1      LEU   7 -11.690  31.996 -10.077
   49   2HD1  LEU   7          2HD1      LEU   7 -12.822  30.622 -10.071
   50   3HD1  LEU   7          3HD1      LEU   7 -12.047  31.143  -8.556
   51   1HD2  LEU   7          1HD2      LEU   7 -10.146  30.237 -11.957
   52   2HD2  LEU   7          2HD2      LEU   7 -10.305  28.563 -11.373
   53   3HD2  LEU   7          3HD2      LEU   7 -11.761  29.527 -11.719
   54    H    LEU   8           H        LEU   8  -8.870  29.141  -5.983
   55    HA   LEU   8           HA       LEU   8  -7.593  27.363  -5.488
   56   1HB   LEU   8          1HB       LEU   8  -7.208  27.415  -8.168
   57   2HB   LEU   8          2HB       LEU   8  -5.576  27.735  -7.615
   58    HG   LEU   8           HG       LEU   8  -5.887  25.367  -8.005
   59   1HD1  LEU   8          1HD1      LEU   8  -4.985  26.507  -5.557
   60   2HD1  LEU   8          2HD1      LEU   8  -5.777  24.956  -5.185
   61   3HD1  LEU   8          3HD1      LEU   8  -4.443  25.015  -6.363
   62   1HD2  LEU   8          1HD2      LEU   8  -8.374  25.798  -6.474
   63   2HD2  LEU   8          2HD2      LEU   8  -8.001  24.639  -7.773
   64   3HD2  LEU   8          3HD2      LEU   8  -7.497  24.295  -6.101
   65    H    ARG   9           H        ARG   9  -7.429  29.525  -4.015
   66    HA   ARG   9           HA       ARG   9  -4.638  29.623  -3.408
   67   1HB   ARG   9          1HB       ARG   9  -6.159  31.957  -4.515
   68   2HB   ARG   9          2HB       ARG   9  -5.160  32.308  -3.119
   69   1HG   ARG   9          1HG       ARG   9  -3.808  30.617  -5.154
   70   2HG   ARG   9          2HG       ARG   9  -4.260  32.202  -5.748
   71   1HD   ARG   9          1HD       ARG   9  -3.121  33.237  -3.734
   72   2HD   ARG   9          2HD       ARG   9  -2.599  31.637  -3.244
   73    HE   ARG   9           HE       ARG   9  -1.414  33.257  -5.323
   74   1HH1  ARG   9          1HH1      ARG   9   0.290  32.400  -6.581
   75   2HH1  ARG   9          2HH1      ARG   9   0.549  30.688  -6.638
   76   1HH2  ARG   9          1HH2      ARG   9  -2.127  29.915  -4.482
   77   2HH2  ARG   9          2HH2      ARG   9  -0.835  29.265  -5.436
   78    H    SER  10           H        SER  10  -7.218  28.579  -2.262
   79    HA   SER  10           HA       SER  10  -6.800  29.516   0.360
   80   1HB   SER  10          1HB       SER  10  -9.059  30.633  -1.224
   81   2HB   SER  10          2HB       SER  10  -9.516  30.007   0.347
   82    HG   SER  10           HG       SER  10  -7.766  31.353   1.269
   83    H    CYS  11           H        CYS  11  -6.390  27.020  -0.421
   84    HA   CYS  11           HA       CYS  11  -8.599  25.591   0.763
   85   1HB   CYS  11          1HB       CYS  11  -8.000  25.459  -2.120
   86   2HB   CYS  11          2HB       CYS  11  -8.039  23.892  -1.337
   87    HG   CYS  11           HG       CYS  11 -10.316  24.765   0.104
   88    HA   PRO  12           HA       PRO  12  -5.146  23.414   2.287
   89   1HB   PRO  12          1HB       PRO  12  -6.298  21.093   3.155
   90   2HB   PRO  12          2HB       PRO  12  -6.350  22.588   4.068
   91   1HG   PRO  12          1HG       PRO  12  -8.500  21.296   2.503
   92   2HG   PRO  12          2HG       PRO  12  -8.632  22.528   3.743
   93   1HD   PRO  12          1HD       PRO  12  -8.843  22.916   0.909
   94   2HD   PRO  12          2HD       PRO  12  -8.859  24.162   2.141
   95    H    VAL  13           H        VAL  13  -4.307  20.868   2.375
   96    HA   VAL  13           HA       VAL  13  -4.575  19.831  -0.316
   97    HB   VAL  13           HB       VAL  13  -2.807  21.439  -0.588
   98   1HG1  VAL  13          1HG1      VAL  13  -2.178  21.587   1.828
   99   2HG1  VAL  13          2HG1      VAL  13  -1.311  20.042   1.653
  100   3HG1  VAL  13          3HG1      VAL  13  -0.785  21.468   0.727
  101   1HG2  VAL  13          1HG2      VAL  13  -2.550  18.659  -1.058
  102   2HG2  VAL  13          2HG2      VAL  13  -1.755  19.996  -1.923
  103   3HG2  VAL  13          3HG2      VAL  13  -0.952  19.235  -0.529
  104    H    LEU  14           H        LEU  14  -2.807  19.627   2.848
  105    HA   LEU  14           HA       LEU  14  -3.727  16.896   3.091
  106   1HB   LEU  14          1HB       LEU  14  -1.716  16.552   1.843
  107   2HB   LEU  14          2HB       LEU  14  -0.807  17.626   2.888
  108    HG   LEU  14           HG       LEU  14  -1.411  15.937   4.777
  109   1HD1  LEU  14          1HD1      LEU  14  -2.290  14.493   2.327
  110   2HD1  LEU  14          2HD1      LEU  14  -1.404  13.563   3.558
  111   3HD1  LEU  14          3HD1      LEU  14  -2.904  14.415   3.995
  112   1HD2  LEU  14          1HD2      LEU  14   0.846  16.391   3.772
  113   2HD2  LEU  14          2HD2      LEU  14   0.617  14.742   4.403
  114   3HD2  LEU  14          3HD2      LEU  14   0.547  15.042   2.650
  115    H    SER  15           H        SER  15  -4.993  18.258   4.675
  116    HA   SER  15           HA       SER  15  -3.390  19.098   6.925
  117   1HB   SER  15          1HB       SER  15  -5.222  20.565   6.017
  118   2HB   SER  15          2HB       SER  15  -6.395  19.341   6.458
  119    HG   SER  15           HG       SER  15  -5.672  21.291   8.000
  120    H    GLN  16           H        GLN  16  -2.947  16.539   6.975
  121    HA   GLN  16           HA       GLN  16  -3.143  14.676   8.070
  122   1HB   GLN  16          1HB       GLN  16  -4.744  16.498   9.872
  123   2HB   GLN  16          2HB       GLN  16  -4.691  14.783  10.228
  124   1HG   GLN  16          1HG       GLN  16  -2.007  15.401   9.692
  125   2HG   GLN  16          2HG       GLN  16  -2.580  16.828  10.533
  126   1HE2  GLN  16          2HE2      GLN  16  -2.691  16.805  12.654
  127   2HE2  GLN  16          1HE2      GLN  16  -2.603  15.416  13.685
  128    H    GLY  17           H        GLY  17  -4.348  14.159   5.925
  129   1HA   GLY  17          1HA       GLY  17  -6.254  13.510   4.800
  130   2HA   GLY  17          2HA       GLY  17  -7.213  13.730   6.251
  131    HA   PRO  18           HA       PRO  18  -5.804   9.290   5.710
  132   1HB   PRO  18          1HB       PRO  18  -3.266   8.657   4.919
  133   2HB   PRO  18          2HB       PRO  18  -4.596   8.865   3.797
  134   1HG   PRO  18          1HG       PRO  18  -2.343  10.694   4.360
  135   2HG   PRO  18          2HG       PRO  18  -3.420  10.673   2.979
  136   1HD   PRO  18          1HD       PRO  18  -3.505  12.493   5.194
  137   2HD   PRO  18          2HD       PRO  18  -4.651  12.398   3.872
  138    H    THR  19           H        THR  19  -2.906  10.955   6.838
  139    HA   THR  19           HA       THR  19  -1.819  10.826   8.773
  140    HB   THR  19           HB       THR  19  -4.518  10.814   9.431
  141    HG1  THR  19           HG1      THR  19  -2.091  10.569  11.067
  142   1HG2  THR  19          1HG2      THR  19  -4.020   8.191   9.833
  143   2HG2  THR  19          2HG2      THR  19  -3.282   8.815  11.327
  144   3HG2  THR  19          3HG2      THR  19  -5.001   9.127  10.986
  145    H    GLY  20           H        GLY  20  -2.278   8.381   6.773
  146   1HA   GLY  20          1HA       GLY  20  -1.917   6.061   6.955
  147   2HA   GLY  20          2HA       GLY  20  -1.224   6.286   8.549
  148    H    LEU  21           H        LEU  21   0.185   8.833   7.259
  149    HA   LEU  21           HA       LEU  21   2.192   7.395   5.701
  150   1HB   LEU  21          1HB       LEU  21   1.552  10.320   6.052
  151   2HB   LEU  21          2HB       LEU  21   3.002   9.753   5.248
  152    HG   LEU  21           HG       LEU  21   0.170   9.111   4.379
  153   1HD1  LEU  21          1HD1      LEU  21   1.901  11.412   3.871
  154   2HD1  LEU  21          2HD1      LEU  21   1.341  10.613   2.382
  155   3HD1  LEU  21          3HD1      LEU  21   0.159  11.194   3.580
  156   1HD2  LEU  21          1HD2      LEU  21   2.862   8.251   3.406
  157   2HD2  LEU  21          2HD2      LEU  21   1.336   7.343   3.516
  158   3HD2  LEU  21          3HD2      LEU  21   1.570   8.535   2.215
  159    H    LEU  22           H        LEU  22   2.418   6.408   8.123
  160    HA   LEU  22           HA       LEU  22   4.664   7.906   9.265
  161   1HB   LEU  22          1HB       LEU  22   2.780   8.305  10.694
  162   2HB   LEU  22          2HB       LEU  22   2.378   6.600  10.739
  163    HG   LEU  22           HG       LEU  22   4.984   6.639  11.684
  164   1HD1  LEU  22          1HD1      LEU  22   3.529   9.109  12.648
  165   2HD1  LEU  22          2HD1      LEU  22   4.879   8.355  13.530
  166   3HD1  LEU  22          3HD1      LEU  22   5.136   8.998  11.891
  167   1HD2  LEU  22          1HD2      LEU  22   2.794   5.461  12.453
  168   2HD2  LEU  22          2HD2      LEU  22   4.082   5.789  13.637
  169   3HD2  LEU  22          3HD2      LEU  22   2.650   6.844  13.565
  170    H    GLY  23           H        GLY  23   2.933   4.711   9.466
  171   1HA   GLY  23          1HA       GLY  23   3.724   2.608   9.450
  172   2HA   GLY  23          2HA       GLY  23   5.234   3.228  10.087
  173    H    LYS  24           H        LYS  24   4.071   4.625   7.072
  174    HA   LYS  24           HA       LYS  24   5.325   2.740   5.358
  175   1HB   LYS  24          1HB       LYS  24   3.396   4.576   5.005
  176   2HB   LYS  24          2HB       LYS  24   4.760   5.523   4.445
  177   1HG   LYS  24          1HG       LYS  24   4.414   4.462   2.449
  178   2HG   LYS  24          2HG       LYS  24   5.273   3.126   3.189
  179   1HD   LYS  24          1HD       LYS  24   2.511   3.009   4.047
  180   2HD   LYS  24          2HD       LYS  24   2.535   3.206   2.306
  181   1HE   LYS  24          1HE       LYS  24   4.283   1.140   3.709
  182   2HE   LYS  24          2HE       LYS  24   2.636   0.780   3.227
  183    H    VAL  25           H        VAL  25   6.410   5.412   7.324
  184    HA   VAL  25           HA       VAL  25   8.789   5.825   5.732
  185    HB   VAL  25           HB       VAL  25   7.864   6.962   8.378
  186   1HG1  VAL  25          1HG1      VAL  25  10.451   6.997   7.169
  187   2HG1  VAL  25          2HG1      VAL  25   9.765   8.635   7.055
  188   3HG1  VAL  25          3HG1      VAL  25   9.897   7.834   8.639
  189   1HG2  VAL  25          1HG2      VAL  25   7.613   7.886   5.518
  190   2HG2  VAL  25          2HG2      VAL  25   6.369   7.793   6.787
  191   3HG2  VAL  25          3HG2      VAL  25   7.623   9.054   6.861
  192    H    ALA  26           H        ALA  26   7.640   3.831   8.370
  193    HA   ALA  26           HA       ALA  26  10.302   3.327   9.375
  194   1HB   ALA  26          1HB       ALA  26   8.402   1.454  10.372
  195   2HB   ALA  26          2HB       ALA  26   9.082   2.872  11.204
  196   3HB   ALA  26          3HB       ALA  26   7.575   3.027  10.270
  197    H    LYS  27           H        LYS  27   7.712   1.639   7.495
  198    HA   LYS  27           HA       LYS  27   9.016  -0.793   7.247
  199   1HB   LYS  27          1HB       LYS  27   6.877   0.650   5.721
  200   2HB   LYS  27          2HB       LYS  27   7.575  -0.798   5.023
  201   1HG   LYS  27          1HG       LYS  27   7.176  -1.668   7.592
  202   2HG   LYS  27          2HG       LYS  27   5.879  -0.496   7.472
  203   1HD   LYS  27          1HD       LYS  27   6.037  -2.133   5.041
  204   2HD   LYS  27          2HD       LYS  27   5.874  -3.142   6.465
  205   1HE   LYS  27          1HE       LYS  27   3.844  -1.988   7.157
  206   2HE   LYS  27          2HE       LYS  27   4.073  -0.733   5.956
  207    H    THR  28           H        THR  28   9.092   2.131   5.104
  208    HA   THR  28           HA       THR  28  10.692   1.181   3.111
  209    HB   THR  28           HB       THR  28   9.537   3.487   3.468
  210    HG1  THR  28           HG1      THR  28  10.995   4.187   1.861
  211   1HG2  THR  28          1HG2      THR  28  11.457   3.727   5.523
  212   2HG2  THR  28          2HG2      THR  28  12.149   4.659   4.174
  213   3HG2  THR  28          3HG2      THR  28  10.533   5.065   4.800
  214    H    TYR  29           H        TYR  29  11.559   1.762   6.472
  215    HA   TYR  29           HA       TYR  29  14.391   1.646   5.841
  216   1HB   TYR  29          1HB       TYR  29  12.778   2.888   7.749
  217   2HB   TYR  29          2HB       TYR  29  13.254   1.452   8.633
  218    HD1  TYR  29           HD1      TYR  29  15.599   1.084   9.277
  219    HD2  TYR  29           HD2      TYR  29  14.404   4.621   7.188
  220    HE1  TYR  29           HE1      TYR  29  17.800   2.199   9.890
  221    HE2  TYR  29           HE2      TYR  29  16.609   5.724   7.809
  222    HH   TYR  29           HH       TYR  29  19.218   3.953   9.067
  223    H    GLN  30           H        GLN  30  11.746  -0.379   7.124
  224    HA   GLN  30           HA       GLN  30  13.422  -2.330   8.221
  225   1HB   GLN  30          1HB       GLN  30  11.028  -2.047   8.832
  226   2HB   GLN  30          2HB       GLN  30  10.547  -2.544   7.222
  227   1HG   GLN  30          1HG       GLN  30  12.397  -4.454   8.540
  228   2HG   GLN  30          2HG       GLN  30  10.885  -4.246   9.400
  229   1HE2  GLN  30          2HE2      GLN  30  11.095  -6.629   8.582
  230   2HE2  GLN  30          1HE2      GLN  30  10.224  -6.997   7.130
  231    H    PHE  31           H        PHE  31  12.944  -1.378   5.006
  232    HA   PHE  31           HA       PHE  31  13.517  -4.081   4.022
  233   1HB   PHE  31          1HB       PHE  31  11.510  -2.421   3.289
  234   2HB   PHE  31          2HB       PHE  31  12.768  -1.643   2.349
  235    HD1  PHE  31           HD1      PHE  31  14.182  -3.272   0.825
  236    HD2  PHE  31           HD2      PHE  31  10.307  -4.142   2.321
  237    HE1  PHE  31           HE1      PHE  31  13.851  -4.952  -1.010
  238    HE2  PHE  31           HE2      PHE  31   9.976  -5.822   0.486
  239    HZ   PHE  31           HZ       PHE  31  11.752  -6.207  -1.158
  240    H    LEU  32           H        LEU  32  14.498  -0.618   3.942
  241    HA   LEU  32           HA       LEU  32  16.580  -0.955   2.095
  242   1HB   LEU  32          1HB       LEU  32  15.431   1.120   3.687
  243   2HB   LEU  32          2HB       LEU  32  17.169   1.155   3.907
  244    HG   LEU  32           HG       LEU  32  16.402   2.647   2.107
  245   1HD1  LEU  32          1HD1      LEU  32  18.348   0.450   1.680
  246   2HD1  LEU  32          2HD1      LEU  32  17.879   1.388   0.241
  247   3HD1  LEU  32          3HD1      LEU  32  18.573   2.216   1.656
  248   1HD2  LEU  32          1HD2      LEU  32  14.460   1.366   1.353
  249   2HD2  LEU  32          2HD2      LEU  32  15.550   1.751  -0.002
  250   3HD2  LEU  32          3HD2      LEU  32  15.534   0.111   0.691
  251    H    PHE  33           H        PHE  33  16.176  -2.038   5.347
  252    HA   PHE  33           HA       PHE  33  19.014  -2.048   5.897
  253   1HB   PHE  33          1HB       PHE  33  16.515  -2.086   7.316
  254   2HB   PHE  33          2HB       PHE  33  17.236  -3.653   7.627
  255    HD1  PHE  33           HD1      PHE  33  18.506  -0.138   7.415
  256    HD2  PHE  33           HD2      PHE  33  18.350  -3.754   9.630
  257    HE1  PHE  33           HE1      PHE  33  19.962   0.884   9.186
  258    HE2  PHE  33           HE2      PHE  33  19.806  -2.732  11.401
  259    HZ   PHE  33           HZ       PHE  33  20.594  -0.425  11.158
  260    H    SER  34           H        SER  34  17.307  -3.760   3.759
  261    HA   SER  34           HA       SER  34  18.916  -6.104   4.242
  262   1HB   SER  34          1HB       SER  34  15.971  -6.014   4.460
  263   2HB   SER  34          2HB       SER  34  16.528  -7.226   3.324
  264    HG   SER  34           HG       SER  34  17.926  -8.083   5.013
  265    H    ILE  35           H        ILE  35  19.916  -4.644   2.426
  266    HA   ILE  35           HA       ILE  35  18.594  -5.266  -0.121
  267    HB   ILE  35           HB       ILE  35  20.000  -3.382  -1.000
  268   1HG1  ILE  35          1HG1      ILE  35  20.438  -2.816   1.948
  269   2HG1  ILE  35          2HG1      ILE  35  21.667  -3.335   0.812
  270   1HG2  ILE  35          1HG2      ILE  35  17.505  -3.387  -0.013
  271   2HG2  ILE  35          2HG2      ILE  35  18.242  -2.187   1.075
  272   3HG2  ILE  35          3HG2      ILE  35  18.286  -1.937  -0.687
  273   1HD1  ILE  35          1HD1      ILE  35  20.019  -0.781   0.521
  274   2HD1  ILE  35          2HD1      ILE  35  21.678  -0.858   1.161
  275   3HD1  ILE  35          3HD1      ILE  35  21.357  -1.295  -0.534
  276    H    GLY  36           H        GLY  36  21.481  -5.591   1.900
  277   1HA   GLY  36          1HA       GLY  36  22.489  -7.849   0.901
  278   2HA   GLY  36          2HA       GLY  36  23.502  -6.548   1.493
  279    H    ARG  37           H        ARG  37  24.535  -5.088   0.010
  280    HA   ARG  37           HA       ARG  37  25.265  -6.267  -2.370
  281   1HB   ARG  37          1HB       ARG  37  22.939  -5.551  -3.069
  282   2HB   ARG  37          2HB       ARG  37  23.376  -3.887  -2.737
  283   1HG   ARG  37          1HG       ARG  37  24.069  -3.790  -4.904
  284   2HG   ARG  37          2HG       ARG  37  25.467  -4.708  -4.379
  285   1HD   ARG  37          1HD       ARG  37  24.214  -6.845  -4.865
  286   2HD   ARG  37          2HD       ARG  37  22.861  -5.897  -5.451
  287    HE   ARG  37           HE       ARG  37  24.081  -5.359  -7.402
  288   1HH1  ARG  37          1HH1      ARG  37  25.792  -5.671  -8.885
  289   2HH1  ARG  37          2HH1      ARG  37  27.250  -6.453  -8.372
  290   1HH2  ARG  37          1HH2      ARG  37  26.168  -6.946  -5.056
  291   2HH2  ARG  37          2HH2      ARG  37  27.465  -7.183  -6.179
  292    H    CYS  38           H        CYS  38  27.383  -5.658  -1.830
  293    HA   CYS  38           HA       CYS  38  28.403  -3.296  -2.592
  294   1HB   CYS  38          1HB       CYS  38  27.032  -2.928  -0.050
  295   2HB   CYS  38          2HB       CYS  38  28.741  -2.570   0.100
  296    HG   CYS  38           HG       CYS  38  27.326  -0.381  -0.413
  297    HA   PRO  39           HA       PRO  39  31.253  -5.685   0.370
  298   1HB   PRO  39          1HB       PRO  39  30.223  -7.597   2.028
  299   2HB   PRO  39          2HB       PRO  39  30.515  -5.946   2.535
  300   1HG   PRO  39          1HG       PRO  39  27.945  -7.263   1.902
  301   2HG   PRO  39          2HG       PRO  39  28.229  -5.785   2.800
  302   1HD   PRO  39          1HD       PRO  39  27.298  -5.998   0.095
  303   2HD   PRO  39          2HD       PRO  39  27.692  -4.523   0.955
  304    H    ILE  40           H        ILE  40  32.596  -6.933  -0.757
  305    HA   ILE  40           HA       ILE  40  31.271  -9.141  -2.156
  306    HB   ILE  40           HB       ILE  40  33.331  -9.054  -3.597
  307   1HG1  ILE  40          1HG1      ILE  40  34.570  -7.669  -1.757
  308   2HG1  ILE  40          2HG1      ILE  40  34.901  -7.383  -3.455
  309   1HG2  ILE  40          1HG2      ILE  40  31.245  -6.907  -3.446
  310   2HG2  ILE  40          2HG2      ILE  40  32.543  -6.789  -4.659
  311   3HG2  ILE  40          3HG2      ILE  40  31.467  -8.207  -4.642
  312   1HD1  ILE  40          1HD1      ILE  40  32.629  -5.797  -2.368
  313   2HD1  ILE  40          2HD1      ILE  40  34.219  -5.413  -1.666
  314   3HD1  ILE  40          3HD1      ILE  40  33.969  -5.290  -3.424
  315    H    LEU  41           H        LEU  41  31.342 -10.114   0.160
  316    HA   LEU  41           HA       LEU  41  32.288 -11.429   1.685
  317   1HB   LEU  41          1HB       LEU  41  32.260 -12.640  -0.730
  318   2HB   LEU  41          2HB       LEU  41  33.963 -12.781  -0.344
  319    HG   LEU  41           HG       LEU  41  32.750 -14.774   0.332
  320   1HD1  LEU  41          1HD1      LEU  41  34.470 -13.259   1.972
  321   2HD1  LEU  41          2HD1      LEU  41  33.218 -13.930   3.044
  322   3HD1  LEU  41          3HD1      LEU  41  34.179 -15.014   2.010
  323   1HD2  LEU  41          1HD2      LEU  41  30.593 -13.365   0.771
  324   2HD2  LEU  41          2HD2      LEU  41  30.898 -14.853   1.700
  325   3HD2  LEU  41          3HD2      LEU  41  31.229 -13.263   2.431
  326    H    ALA  42           H        ALA  42  33.441  -9.147   2.141
  327    HA   ALA  42           HA       ALA  42  35.988  -9.794   3.078
  328   1HB   ALA  42          1HB       ALA  42  36.583  -9.653   0.665
  329   2HB   ALA  42          2HB       ALA  42  37.388  -8.396   1.634
  330   3HB   ALA  42          3HB       ALA  42  35.977  -7.980   0.631
  331    H    THR  43           H        THR  43  34.782  -6.738   1.544
  332    HA   THR  43           HA       THR  43  33.861  -5.724   4.064
  333    HB   THR  43           HB       THR  43  36.585  -5.047   2.948
  334    HG1  THR  43           HG1      THR  43  35.924  -6.311   4.967
  335   1HG2  THR  43          1HG2      THR  43  34.634  -3.102   4.258
  336   2HG2  THR  43          2HG2      THR  43  36.392  -2.942   4.483
  337   3HG2  THR  43          3HG2      THR  43  35.689  -2.819   2.853
  338    H    GLN  44           H        GLN  44  35.174  -4.497   0.906
  339    HA   GLN  44           HA       GLN  44  32.753  -4.052  -0.238
  340   1HB   GLN  44          1HB       GLN  44  32.591  -1.497   0.055
  341   2HB   GLN  44          2HB       GLN  44  32.057  -2.482   1.402
  342   1HG   GLN  44          1HG       GLN  44  33.891  -1.917   2.736
  343   2HG   GLN  44          2HG       GLN  44  34.955  -1.672   1.366
  344   1HE2  GLN  44          2HE2      GLN  44  35.207   0.290   0.498
  345   2HE2  GLN  44          1HE2      GLN  44  34.403   1.734   1.015
  346    H    GLY  45           H        GLY  45  36.082  -2.914   0.367
  347   1HA   GLY  45          1HA       GLY  45  37.300  -1.543  -1.184
  348   2HA   GLY  45          2HA       GLY  45  36.318  -2.183  -2.487
  349    HA   PRO  46           HA       PRO  46  39.585  -5.045  -2.959
  350   1HB   PRO  46          1HB       PRO  46  41.897  -3.718  -3.557
  351   2HB   PRO  46          2HB       PRO  46  40.612  -3.976  -4.720
  352   1HG   PRO  46          1HG       PRO  46  41.341  -1.497  -3.284
  353   2HG   PRO  46          2HG       PRO  46  40.369  -1.682  -4.730
  354   1HD   PRO  46          1HD       PRO  46  39.414  -1.172  -2.074
  355   2HD   PRO  46          2HD       PRO  46  38.439  -1.472  -3.498
  356    H    THR  47           H        THR  47  41.626  -6.144  -2.276
  357    HA   THR  47           HA       THR  47  41.701  -6.072   0.543
  358    HB   THR  47           HB       THR  47  43.603  -7.701   0.144
  359    HG1  THR  47           HG1      THR  47  44.577  -7.356  -1.810
  360   1HG2  THR  47          1HG2      THR  47  41.163  -8.006  -1.684
  361   2HG2  THR  47          2HG2      THR  47  42.336  -9.305  -1.361
  362   3HG2  THR  47          3HG2      THR  47  41.337  -8.659  -0.037
  363    H    CYS  48           H        CYS  48  44.162  -5.035  -1.915
  364    HA   CYS  48           HA       CYS  48  45.170  -3.239   0.171
  365   1HB   CYS  48          1HB       CYS  48  46.586  -5.348  -0.844
  366   2HB   CYS  48          2HB       CYS  48  47.081  -4.068  -1.933
  367    HG   CYS  48           HG       CYS  48  47.953  -2.409  -0.237
  368    H    SER  49           H        SER  49  45.784  -1.109  -0.581
  369    HA   SER  49           HA       SER  49  45.493   0.697  -1.753
  370   1HB   SER  49          1HB       SER  49  47.274  -0.288  -3.139
  371   2HB   SER  49          2HB       SER  49  46.095  -1.170  -4.089
  372    HG   SER  49           HG       SER  49  46.794   0.788  -5.158

  No H/Q in entry =         372