*HEADER   MAJOR COAT PROTEIN                      16-APR-98   2CPS    
*TITLE    SOLUTION NMR STRUCTURES OF THE MAJOR COAT PROTEIN OF        
*TITLE   2 FILAMENTOUS BACTERIOPHAGE M13 SOLUBILIZED IN SODIUM DODECYL
*TITLE   3 SULPHATE MICELLES, 25 LOWEST ENERGY STRUCTURES             
*COMPND   MOL_ID: 1;                                                  
*COMPND  2 MOLECULE: M13 MAJOR COAT PROTEIN;                          
*COMPND  3 CHAIN: NULL;                                               
*COMPND  4 SYNONYM: M13 GENE-VIII-PROTEIN OR M13 GVIIIP               
*SOURCE   MOL_ID: 1;                                                  
*SOURCE  2 ORGANISM_SCIENTIFIC: BACTERIOPHAGE M13;                    
*SOURCE  3 EXPRESSION_SYSTEM: ESCHERICHIA COLI                        
*KEYWDS   MAJOR COAT PROTEIN, BACTERIOPHAGE M13, ASSEMBLY, MICELLE,   
*KEYWDS  2 MEMBRANE                                                   
*EXPDTA   NMR, 25 STRUCTURES                                          
*AUTHOR   C.H.M.PAPAVOINE,B.E.C.CHRISTIAANS,R.H.A.FOLMER,             
*AUTHOR  2 R.N.H.KONINGS,C.W.HILBERS                                  
*REVDAT  1   11-NOV-98 2CPS    0                                      
 
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assign (resid 45 and name HA  ) (resid 48 and name HD# ) 3.86 0.77 1.11   volume 4.2584e+05
assign (resid 45 and name HB2 ) (resid 45 and name HB1 ) 1.96 0.39 0.39   volume 5.7617e+07
assign (resid 45 and name HB2 ) (resid 45 and name HD# ) 3.20 0.64 0.70   volume 3.0424e+06
assign (resid 45 and name HB2 ) (resid 46 and name HN  ) 3.54 0.71 0.90   volume 1.3286e+04
assign (resid 45 and name HB2 ) (resid 46 and name HG2#) 3.99 0.80 1.19   volume 9.4685e+05
assign (resid 45 and name HB1 ) (resid 45 and name HD# ) 3.33 0.67 0.78   volume 2.4055e+06
assign (resid 45 and name HB1 ) (resid 46 and name HN  ) 3.15 0.63 0.68   volume 2.6711e+04
assign (resid 45 and name HB1 ) (resid 46 and name HA  ) 3.68 0.74 0.99   volume 1.3121e+06
assign (resid 45 and name HB1 ) (resid 46 and name HG2#) 3.97 0.79 1.18   volume 9.7661e+05
assign (resid 45 and name HD# ) (resid 46 and name HG2#) 3.64 0.73 0.96   volume 1.9679e+06
assign (resid 45 and name HD# ) (resid 48 and name HD# ) 4.85 0.97 1.86   volume 1.0882e+05
assign (resid 46 and name HN  ) (resid 46 and name HA  ) 2.87 0.57 0.57   volume 4.7416e+04
assign (resid 46 and name HN  ) (resid 46 and name HB  ) 2.87 0.57 0.57   volume 4.7416e+04
assign (resid 46 and name HN  ) (resid 46 and name HG2#) 3.02 0.60 0.61   volume 5.2253e+04
assign (resid 46 and name HN  ) (resid 47 and name HN  ) 2.84 0.57 0.57   volume 4.9649e+04
assign (resid 46 and name HA  ) (resid 47 and name HN  ) 2.90 0.58 0.58   volume 4.3912e+04
assign (resid 46 and name HA  ) (resid 47 and name HA  ) 4.24 0.85 1.37   volume 5.6063e+05
assign (resid 46 and name HG2#) (resid 47 and name HN  ) 4.20 0.84 1.34   volume 6.3740e+03
assign (resid 47 and name HN  ) (resid 47 and name HA  ) 2.75 0.55 0.55   volume 6.1191e+04
assign (resid 47 and name HN  ) (resid 47 and name HB# ) 2.67 0.53 0.53   volume 7.2295e+04
assign (resid 47 and name HN  ) (resid 48 and name HN  ) 2.87 0.57 0.57   volume 2.0492e+04
assign (resid 47 and name HA  ) (resid 48 and name HN  ) 3.04 0.61 0.62   volume 1.4417e+04
assign (resid 47 and name HB# ) (resid 48 and name HN  ) 3.25 0.65 0.73   volume 9.5897e+03
assign (resid 48 and name HN  ) (resid 48 and name HA  ) 2.20 0.44 0.44   volume 4.2962e+04
assign (resid 48 and name HN  ) (resid 48 and name HB# ) 2.07 0.41 0.41   volume 6.3814e+04
assign (resid 48 and name HN  ) (resid 48 and name HG# ) 2.33 0.47 0.47   volume 3.0932e+04
assign (resid 48 and name HN  ) (resid 49 and name HN  ) 2.93 0.59 0.59   volume 7.8068e+03
assign (resid 48 and name HA  ) (resid 48 and name HB2 ) 2.77 0.55 0.55   volume 1.3690e+06
assign (resid 48 and name HA  ) (resid 48 and name HB1 ) 2.90 0.58 0.58   volume 1.0296e+06
assign (resid 48 and name HA  ) (resid 48 and name HG# ) 3.18 0.64 0.69   volume 5.9446e+05
assign (resid 48 and name HA  ) (resid 48 and name HD# ) 3.18 0.64 0.69   volume 5.8858e+05
assign (resid 48 and name HB2 ) (resid 48 and name HG# ) 2.69 0.54 0.54   volume 1.6143e+06
assign (resid 48 and name HB2 ) (resid 49 and name HA  ) 3.88 0.78 1.12   volume 1.7982e+05
assign (resid 48 and name HB1 ) (resid 48 and name HG# ) 2.74 0.55 0.55   volume 1.4429e+06
assign (resid 48 and name HB1 ) (resid 49 and name HA  ) 3.58 0.72 0.92   volume 2.9199e+05
assign (resid 48 and name HB# ) (resid 49 and name HN  ) 2.97 0.59 0.59   volume 7.2334e+03
assign (resid 48 and name HG# ) (resid 48 and name HD# ) 1.79 0.36 0.36   volume 1.8809e+07
assign (resid 48 and name HG# ) (resid 48 and name HE# ) 2.91 0.58 0.58   volume 1.1754e+06
assign (resid 49 and name HN  ) (resid 49 and name HA  ) 2.14 0.43 0.43   volume 5.1139e+04
assign (resid 49 and name HN  ) (resid 49 and name HB# ) 2.69 0.54 0.54   volume 1.8604e+04
assign (resid 49 and name HA  ) (resid 49 and name HB# ) 2.62 0.52 0.52   volume 2.2605e+06
assign (resid 50 and name HN  ) (resid 50 and name HA  ) 2.32 0.46 0.46   volume 3.1590e+04
assign (resid  5 and name HN  ) (resid  6 and name HD2 ) 4  0  1000   volume 0
assign (resid  8 and name HN  ) (resid  5 and name HB2 ) 4  0  1000   volume 0
assign (resid  8 and name HN  ) (resid  6 and name HB1 ) 4  0  1000   volume 0
assign (resid 11 and name HD# ) (resid 14 and name HB1 ) 4  0  1000   volume 0  
assign (resid 12 and name HA  ) (resid 12 and name HD21) 4  0  1000   volume 0
assign (resid 15 and name HA  ) (resid 15 and name HE21) 4  0  1000   volume 0 
assign (resid 15 and name HB1 ) (resid 15 and name HE21) 4  0  1000   volume 0 
assign (resid 15 and name HB2 ) (resid 15 and name HE21) 4  0  1000   volume 0 
assign (resid 20 and name HG1 ) (resid 24 and name HE# ) 4  0  1000   volume 0
assign (resid 23 and name HN  ) (resid 24 and name HD# ) 4  0  1000   volume 0 
assign (resid 25 and name HA  ) (resid 28 and name HG1 ) 4  0  1000   volume 0
assign (resid 29 and name HN  ) (resid 28 and name HG1 ) 4  0  1000   volume 0 
assign (resid 40 and name HB1 ) (resid 40 and name HE2 ) 4  0  1000   volume 0  
assign (resid 41 and name HB1 ) (resid 45 and name HD# ) 4  0  1000   volume 0  
assign (resid 42 and name HA  ) (resid 45 and name HD# ) 4  0  1000   volume 0
assign (resid 42 and name HB2 ) (resid 43 and name HG1 ) 4  0  1000   volume 0
assign (resid 44 and name HD2 ) (resid 45 and name HA  ) 4  0  1000   volume 0  
assign (resid 44 and name HG2 ) (resid 48 and name HA  ) 4  0  1000   volume 0  
assign (resid 45 and name HA  ) (resid 48 and name HB1 ) 4  0  1000   volume 0
assign (resid 21 and name ha) (resid 21 and name ca)
       (resid 21 and name cb) (resid 21 and name hb1)
1  -60.0 30.0 2

assign (resid 21 and name ha) (resid 21 and name ca)
       (resid 21 and name cb) (resid 21 and name hb2)
1  180.0 30.0 2


assign (resid 24 and name ha) (resid 24 and name ca)
       (resid 24 and name cb) (resid 24 and name hb1)
1  -60.0 30.0 2

assign (resid 24 and name ha) (resid 24 and name ca)
       (resid 24 and name cb) (resid 24 and name hb2)
1  180.0 30.0 2


assign (resid 41 and name ha) (resid 41 and name ca)
       (resid 41 and name cb) (resid 41 and name hb1)
1  180.0 30.0 2

assign (resid 41 and name ha) (resid 41 and name ca)
       (resid 41 and name cb) (resid 41 and name hb2)
1  -60.0 30.0 2


assign (resid 45 and name ha) (resid 45 and name ca)
       (resid 45 and name cb) (resid 45 and name hb1)
1  -60.0 30.0 2

assign (resid 45 and name ha) (resid 45 and name ca)
       (resid 45 and name cb) (resid 45 and name hb2)
1  180.0 30.0 2

assign (resid 5 and name n) (resid 5 and name ca)
       (resid 5 and name cb) (resid 5 and name cg)
1  180.0 30.0 2


assign (resid 42 and name ha) (resid 42 and name ca)
       (resid 42 and name cb) (resid 42 and name hb1)
1  180.0 30.0 2

assign (resid 42 and name ha) (resid 42 and name ca)
       (resid 42 and name cb) (resid 42 and name hb2)
1  60.0 30.0 2

assign (resid 6 and name ha) (resid 6 and name ca)
       (resid 6 and name cb) (resid 6 and name hb1)
1 24.0 20.0 2
assign (resid 6 and name ha) (resid 6 and name ca)
       (resid 6 and name cb) (resid 6 and name hb2)
1  -98.0 20.0 2

assign (resid 32 and name cg1) (resid 32 and name cb)
       (resid 32 and name ca) (resid 32 and name n)
1  -60.0 30.0 2
assign (resid 37 and name cg1) (resid 37 and name cb)
       (resid 37 and name ca) (resid 37 and name n)
1  -60.0 30.0 2
assign (resid 39 and name cg1) (resid 39 and name cb)
       (resid 39 and name ca) (resid 39 and name n)
1  -60.0 30.0 2
assign (resid 31 and name ha) (resid 31 and name ca)
       (resid 31 and name cb) (resid 31 and name hb)
1  180.0 30.0 2
assign (resid 31 and name cg1) (resid 31 and name cb)
       (resid 31 and name ca) (resid 31 and name n)
1  180.0 50.0 2
assign (resid 20 and name c) (resid 21 and name n)
       (resid 21 and name ca) (resid 21 and name c)
1 -120.0 30.0 2
assign (resid 8 and name c) (resid 9 and name n)
       (resid 9 and name ca) (resid 9 and name c)
1 -60.0 40.0 2
assign (resid 9 and name c) (resid 10 and name n)
       (resid 10 and name ca) (resid 10 and name c)
1 -60.0 40.0 2
assign (resid 10 and name c) (resid 11 and name n)
       (resid 11 and name ca) (resid 11 and name c)
1 -60.0 40.0 2
assign (resid 11 and name c) (resid 12 and name n)
       (resid 12 and name ca) (resid 12 and name c)
1 -60.0 40.0 2
assign (resid 13 and name c) (resid 14 and name n)
       (resid 14 and name ca) (resid 14 and name c)
1 -60.0 40.0 2
assign (resid 14 and name c) (resid 15 and name n)
       (resid 15 and name ca) (resid 15 and name c)
1 -60.0 40.0 2
assign (resid 17 and name c) (resid 18 and name n)
       (resid 18 and name ca) (resid 18 and name c)
1 -60.0 40.0 2
assign (resid 18 and name c) (resid 19 and name n)
       (resid 19 and name ca) (resid 19 and name c)
1 -60.0 40.0 2
assign (resid 28 and name c) (resid 29 and name n)
       (resid 29 and name ca) (resid 29 and name c)
1 -60.0 40.0 2
assign (resid 31 and name c) (resid 32 and name n)
       (resid 32 and name ca) (resid 32 and name c)
1 -60.0 40.0 2
assign (resid 35 and name c) (resid 36 and name n)
       (resid 36 and name ca) (resid 36 and name c)
1 -60.0 40.0 2
assign (resid 40 and name c) (resid 41 and name n)
       (resid 41 and name ca) (resid 41 and name c)
1 -60.0 40.0 2
assign (resid 42 and name c) (resid 43 and name n)
       (resid 43 and name ca) (resid 43 and name c)
1 -60.0 40.0 2
assign (resid 44 and name c) (resid 45 and name n)
       (resid 45 and name ca) (resid 45 and name c)
1 -60.0 40.0 2
assign (resid 21 and name c) (resid 22 and name n)
       (resid 22 and name ca) (resid 22 and name c)
1 -60.0 30.0 2
assign (resid 24 and name c) (resid 25 and name n)
       (resid 25 and name ca) (resid 25 and name c)
1 -60.0 30.0 2
assign (resid 25 and name c) (resid 26 and name n)
       (resid 26 and name ca) (resid 26 and name c)
1 -60.0 30.0 2
assign (resid 26 and name c) (resid 27 and name n)
       (resid 27 and name ca) (resid 27 and name c)
1 -60.0 30.0 2
assign (resid 27 and name c) (resid 28 and name n)
       (resid 28 and name ca) (resid 28 and name c)
1 -60.0 30.0 2
assign (resid 29 and name c) (resid 30 and name n)
       (resid 30 and name ca) (resid 30 and name c)
1 -60.0 30.0 2
assign (resid 30 and name c) (resid 31 and name n)
       (resid 31 and name ca) (resid 31 and name c)
1 -60.0 30.0 2
assign (resid 32 and name c) (resid 33 and name n)
       (resid 33 and name ca) (resid 33 and name c)
1 -60.0 30.0 2
assign (resid 34 and name c) (resid 35 and name n)
       (resid 35 and name ca) (resid 35 and name c)
1 -60.0 30.0 2
assign (resid 36 and name c) (resid 37 and name n)
       (resid 37 and name ca) (resid 37 and name c)
1 -60.0 30.0 2
assign (resid 38 and name c) (resid 39 and name n)
       (resid 39 and name ca) (resid 39 and name c)
1 -60.0 30.0 2
assign (resid 39 and name c) (resid 40 and name n)
       (resid 40 and name ca) (resid 40 and name c)
1 -60.0 30.0 2
assign (resid 41 and name c) (resid 42 and name n)
       (resid 42 and name ca) (resid 42 and name c)
1 -60.0 30.0 2


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    ALA   1          1H        ALA   1  21.381  -2.687  29.404
    2   2H    ALA   1          3H        ALA   1  21.005  -2.621  31.057
    3   3H    ALA   1          2H        ALA   1  20.479  -3.936  30.119
    4    HA   ALA   1           HA       ALA   1  18.562  -2.771  30.159
    5   1HB   ALA   1          3HB       ALA   1  19.545  -0.932  31.547
    6   2HB   ALA   1          2HB       ALA   1  20.165  -0.195  30.068
    7   3HB   ALA   1          1HB       ALA   1  18.423  -0.336  30.318
    8    H    GLU   2           H        GLU   2  17.439  -2.802  28.333
    9    HA   GLU   2           HA       GLU   2  18.688  -2.762  25.803
   10   1HB   GLU   2          2HB       GLU   2  16.361  -2.904  24.930
   11   2HB   GLU   2          1HB       GLU   2  16.739  -4.120  26.148
   12   1HG   GLU   2          2HG       GLU   2  15.782  -2.029  27.666
   13   2HG   GLU   2          1HG       GLU   2  14.778  -1.946  26.218
   14    H    GLY   3           H        GLY   3  19.636  -0.502  26.417
   15   1HA   GLY   3          2HA       GLY   3  17.833   1.630  25.533
   16   2HA   GLY   3          1HA       GLY   3  19.294   1.875  26.482
   17    H    ASP   4           H        ASP   4  17.981   2.034  23.418
   18    HA   ASP   4           HA       ASP   4  20.617   1.791  22.109
   19   1HB   ASP   4          2HB       ASP   4  18.415   0.473  21.395
   20   2HB   ASP   4          1HB       ASP   4  18.120   1.969  20.507
   21    H    ASP   5           H        ASP   5  19.256   4.120  23.608
   22    HA   ASP   5           HA       ASP   5  18.983   6.394  23.378
   23   1HB   ASP   5          2HB       ASP   5  21.486   5.834  22.842
   24   2HB   ASP   5          1HB       ASP   5  21.038   6.311  21.204
   25    HA   PRO   6           HA       PRO   6  16.411   6.374  19.619
   26   1HB   PRO   6          2HB       PRO   6  14.170   7.324  20.794
   27   2HB   PRO   6          1HB       PRO   6  14.624   5.613  20.806
   28   1HG   PRO   6          2HG       PRO   6  14.661   7.567  22.992
   29   2HG   PRO   6          1HG       PRO   6  14.634   5.799  23.059
   30   1HD   PRO   6          2HD       PRO   6  16.879   7.535  23.417
   31   2HD   PRO   6          1HD       PRO   6  16.850   5.763  23.458
   32    H    ALA   7           H        ALA   7  18.047   8.662  21.130
   33    HA   ALA   7           HA       ALA   7  16.541  11.006  20.305
   34   1HB   ALA   7          3HB       ALA   7  18.918  10.461  21.963
   35   2HB   ALA   7          2HB       ALA   7  18.961  11.972  21.052
   36   3HB   ALA   7          1HB       ALA   7  17.636  11.656  22.174
   37    H    LYS   8           H        LYS   8  20.020  10.626  19.848
   38    HA   LYS   8           HA       LYS   8  19.815  11.724  17.187
   39   1HB   LYS   8          2HB       LYS   8  22.221  11.789  17.276
   40   2HB   LYS   8          1HB       LYS   8  21.572  12.404  18.785
   41   1HG   LYS   8          2HG       LYS   8  21.871   9.991  19.666
   42   2HG   LYS   8          1HG       LYS   8  22.875   9.746  18.240
   43   1HD   LYS   8          2HD       LYS   8  24.107  10.404  20.371
   44   2HD   LYS   8          1HD       LYS   8  24.480  11.333  18.925
   45   1HE   LYS   8          2HE       LYS   8  24.139  12.642  21.104
   46   2HE   LYS   8          1HE       LYS   8  23.267  13.217  19.684
   47   1HZ   LYS   8          2HZ       LYS   8  21.784  11.265  21.157
   48   2HZ   LYS   8          1HZ       LYS   8  22.188  12.609  22.113
   49   3HZ   LYS   8          3HZ       LYS   8  21.330  12.827  20.668
   50    H    ALA   9           H        ALA   9  20.580   8.633  18.690
   51    HA   ALA   9           HA       ALA   9  21.679   7.236  16.571
   52   1HB   ALA   9          3HB       ALA   9  20.885   6.585  19.090
   53   2HB   ALA   9          2HB       ALA   9  19.683   5.728  18.121
   54   3HB   ALA   9          1HB       ALA   9  21.402   5.412  17.876
   55    H    ALA  10           H        ALA  10  18.226   7.172  17.464
   56    HA   ALA  10           HA       ALA  10  17.196   5.805  15.325
   57   1HB   ALA  10          3HB       ALA  10  16.135   7.924  17.119
   58   2HB   ALA  10          2HB       ALA  10  15.195   7.527  15.678
   59   3HB   ALA  10          1HB       ALA  10  15.570   6.272  16.861
   60    H    PHE  11           H        PHE  11  17.822   9.299  15.483
   61    HA   PHE  11           HA       PHE  11  16.865   9.923  12.902
   62   1HB   PHE  11          2HB       PHE  11  17.421  11.497  14.835
   63   2HB   PHE  11          1HB       PHE  11  19.090  11.379  14.307
   64    HD1  PHE  11           HD1      PHE  11  19.682  12.087  11.936
   65    HD2  PHE  11           HD2      PHE  11  15.875  12.940  13.713
   66    HE1  PHE  11           HE1      PHE  11  19.272  13.828  10.251
   67    HE2  PHE  11           HE2      PHE  11  15.485  14.678  12.019
   68    HZ   PHE  11           HZ       PHE  11  17.179  15.124  10.289
   69    H    ASN  12           H        ASN  12  20.041   8.954  14.089
   70    HA   ASN  12           HA       ASN  12  21.372   9.293  11.572
   71   1HB   ASN  12          2HB       ASN  12  22.087   8.406  14.267
   72   2HB   ASN  12          1HB       ASN  12  22.898   7.496  12.999
   73   1HD2  ASN  12          2HD2      ASN  12  25.261  10.008  12.675
   74   2HD2  ASN  12          1HD2      ASN  12  24.882   8.331  12.839
   75    H    SER  13           H        SER  13  19.537   6.766  13.083
   76    HA   SER  13           HA       SER  13  20.450   4.523  11.668
   77   1HB   SER  13          2HB       SER  13  17.562   4.711  12.254
   78   2HB   SER  13          1HB       SER  13  18.717   3.435  12.642
   79    HG   SER  13           HG       SER  13  18.778   4.274  14.567
   80    H    LEU  14           H        LEU  14  18.556   7.216  10.647
   81    HA   LEU  14           HA       LEU  14  17.364   5.837   8.397
   82   1HB   LEU  14          2HB       LEU  14  17.445   8.806   8.511
   83   2HB   LEU  14          1HB       LEU  14  16.152   7.737   7.988
   84    HG   LEU  14           HG       LEU  14  17.007   8.223  10.852
   85   1HD1  LEU  14          3HD1      LEU  14  14.653   9.206   9.245
   86   2HD1  LEU  14          2HD1      LEU  14  14.662   9.189  11.008
   87   3HD1  LEU  14          1HD1      LEU  14  15.851  10.157  10.130
   88   1HD2  LEU  14          1HD2      LEU  14  16.161   5.915  10.409
   89   2HD2  LEU  14          3HD2      LEU  14  15.139   6.840  11.513
   90   3HD2  LEU  14          2HD2      LEU  14  14.650   6.623   9.832
   91    H    GLN  15           H        GLN  15  19.891   8.225   8.973
   92    HA   GLN  15           HA       GLN  15  20.596   8.617   6.249
   93   1HB   GLN  15          2HB       GLN  15  21.068  10.212   8.065
   94   2HB   GLN  15          1HB       GLN  15  22.216   9.074   8.751
   95   1HG   GLN  15          2HG       GLN  15  23.594  10.485   7.505
   96   2HG   GLN  15          1HG       GLN  15  23.313   9.147   6.390
   97   1HE2  GLN  15          2HD2      GLN  15  22.710  12.471   4.730
   98   2HE2  GLN  15          1HD2      GLN  15  24.009  11.827   5.669
   99    H    ALA  16           H        ALA  16  21.416   6.250   8.630
  100    HA   ALA  16           HA       ALA  16  23.829   5.317   7.397
  101   1HB   ALA  16          3HB       ALA  16  23.267   4.990   9.803
  102   2HB   ALA  16          2HB       ALA  16  22.021   3.840   9.311
  103   3HB   ALA  16          1HB       ALA  16  23.719   3.500   8.974
  104    H    SER  17           H        SER  17  20.700   5.160   6.313
  105    HA   SER  17           HA       SER  17  20.884   2.462   5.205
  106   1HB   SER  17          2HB       SER  17  18.755   3.633   6.187
  107   2HB   SER  17          1HB       SER  17  18.669   4.381   4.596
  108    HG   SER  17           HG       SER  17  17.527   2.310   4.842
  109    H    ALA  18           H        ALA  18  22.856   4.183   4.302
  110    HA   ALA  18           HA       ALA  18  22.032   5.013   1.611
  111   1HB   ALA  18          1HB       ALA  18  23.609   6.279   3.458
  112   2HB   ALA  18          3HB       ALA  18  24.807   5.496   2.427
  113   3HB   ALA  18          2HB       ALA  18  23.626   6.602   1.723
  114    H    THR  19           H        THR  19  21.830   2.633   1.270
  115    HA   THR  19           HA       THR  19  24.095   0.956   1.160
  116    HB   THR  19           HB       THR  19  21.629   0.305   1.191
  117    HG1  THR  19           HG1      THR  19  23.146  -1.097  -0.730
  118   1HG2  THR  19          2HG2      THR  19  21.991   0.790  -1.773
  119   2HG2  THR  19          1HG2      THR  19  20.743  -0.262  -1.109
  120   3HG2  THR  19          3HG2      THR  19  20.745   1.457  -0.714
  121    H    GLU  20           H        GLU  20  23.404   3.606  -0.766
  122    HA   GLU  20           HA       GLU  20  24.586   2.522  -3.187
  123   1HB   GLU  20          2HB       GLU  20  22.827   4.655  -2.557
  124   2HB   GLU  20          1HB       GLU  20  24.272   5.356  -3.273
  125   1HG   GLU  20          2HG       GLU  20  22.437   3.277  -4.474
  126   2HG   GLU  20          1HG       GLU  20  22.757   4.906  -5.061
  127    H    TYR  21           H        TYR  21  25.685   3.822  -0.317
  128    HA   TYR  21           HA       TYR  21  28.155   4.845  -1.563
  129   1HB   TYR  21          2HB       TYR  21  26.668   5.573   0.916
  130   2HB   TYR  21          1HB       TYR  21  28.412   5.781   0.885
  131    HD1  TYR  21           HD1      TYR  21  29.448   7.333  -0.761
  132    HD2  TYR  21           HD2      TYR  21  25.208   7.014  -0.320
  133    HE1  TYR  21           HE1      TYR  21  29.156   9.467  -1.955
  134    HE2  TYR  21           HE2      TYR  21  24.929   9.149  -1.514
  135    HH   TYR  21           HH       TYR  21  27.499  10.678  -3.190
  136    H    ILE  22           H        ILE  22  26.870   2.259   0.239
  137    HA   ILE  22           HA       ILE  22  29.395   1.605   1.561
  138    HB   ILE  22           HB       ILE  22  26.760   0.172   1.477
  139   1HG1  ILE  22          2HG1      ILE  22  27.023   2.503   2.717
  140   2HG1  ILE  22          1HG1      ILE  22  26.122   1.190   3.491
  141   1HG2  ILE  22          2HG2      ILE  22  28.735  -1.307   1.891
  142   2HG2  ILE  22          1HG2      ILE  22  29.075  -0.367   3.345
  143   3HG2  ILE  22          3HG2      ILE  22  27.573  -1.283   3.221
  144   1HD1  ILE  22          2HD1      ILE  22  28.269   0.589   4.701
  145   2HD1  ILE  22          1HD1      ILE  22  28.947   2.098   4.088
  146   3HD1  ILE  22          3HD1      ILE  22  27.542   2.129   5.152
  147    H    GLY  23           H        GLY  23  30.496   1.399  -0.469
  148   1HA   GLY  23          2HA       GLY  23  30.932  -1.241  -1.275
  149   2HA   GLY  23          1HA       GLY  23  29.859  -0.498  -2.461
  150    H    TYR  24           H        TYR  24  30.682   1.922  -2.901
  151    HA   TYR  24           HA       TYR  24  33.138   1.640  -4.313
  152   1HB   TYR  24          2HB       TYR  24  31.777   4.242  -3.667
  153   2HB   TYR  24          1HB       TYR  24  32.783   3.858  -5.054
  154    HD1  TYR  24           HD1      TYR  24  31.923   2.024  -6.658
  155    HD2  TYR  24           HD2      TYR  24  29.414   4.048  -3.841
  156    HE1  TYR  24           HE1      TYR  24  29.933   1.381  -7.954
  157    HE2  TYR  24           HE2      TYR  24  27.439   3.398  -5.149
  158    HH   TYR  24           HH       TYR  24  26.963   1.328  -6.870
  159    H    ALA  25           H        ALA  25  32.278   2.779  -1.152
  160    HA   ALA  25           HA       ALA  25  34.612   4.327  -0.630
  161   1HB   ALA  25          2HB       ALA  25  32.480   4.491   0.656
  162   2HB   ALA  25          1HB       ALA  25  32.833   2.911   1.360
  163   3HB   ALA  25          3HB       ALA  25  33.904   4.278   1.676
  164    H    TRP  26           H        TRP  26  33.821   0.927  -0.380
  165    HA   TRP  26           HA       TRP  26  36.013   0.137   1.244
  166   1HB   TRP  26          2HB       TRP  26  33.883  -1.153  -0.237
  167   2HB   TRP  26          1HB       TRP  26  35.402  -2.009  -0.430
  168    HD1  TRP  26          1HD       TRP  26  32.774  -1.116   2.213
  169    HE1  TRP  26          1HE       TRP  26  33.223  -2.524   4.294
  170    HE3  TRP  26          3HE       TRP  26  37.267  -3.201   0.924
  171    HZ2  TRP  26          2HZ       TRP  26  35.175  -4.272   5.292
  172    HZ3  TRP  26          3HZ       TRP  26  38.375  -4.739   2.497
  173    HH2  TRP  26           HH2      TRP  26  37.340  -5.271   4.663
  174    H    ALA  27           H        ALA  27  35.529   0.408  -2.242
  175    HA   ALA  27           HA       ALA  27  37.985  -0.716  -3.062
  176   1HB   ALA  27          3HB       ALA  27  35.744   0.501  -4.291
  177   2HB   ALA  27          2HB       ALA  27  37.172   1.376  -4.847
  178   3HB   ALA  27          1HB       ALA  27  37.064  -0.372  -5.070
  179    H    MET  28           H        MET  28  37.052   2.529  -2.066
  180    HA   MET  28           HA       MET  28  39.406   3.870  -2.813
  181   1HB   MET  28          2HB       MET  28  37.055   4.727  -2.114
  182   2HB   MET  28          1HB       MET  28  37.707   4.627  -0.483
  183   1HG   MET  28          2HG       MET  28  37.958   6.862  -1.428
  184   2HG   MET  28          1HG       MET  28  39.510   6.121  -1.079
  185   1HE   MET  28          1HE       MET  28  37.846   8.286  -2.862
  186   2HE   MET  28          3HE       MET  28  39.179   8.699  -3.950
  187   3HE   MET  28          2HE       MET  28  37.738   7.900  -4.579
  188    H    VAL  29           H        VAL  29  38.404   2.149   0.092
  189    HA   VAL  29           HA       VAL  29  40.478   2.920   1.813
  190    HB   VAL  29           HB       VAL  29  38.859   0.380   1.651
  191   1HG1  VAL  29          1HG1      VAL  29  40.844   1.318   3.697
  192   2HG1  VAL  29          3HG1      VAL  29  39.526   0.225   4.123
  193   3HG1  VAL  29          2HG1      VAL  29  40.718  -0.259   2.915
  194   1HG2  VAL  29          3HG2      VAL  29  37.758   2.665   2.089
  195   2HG2  VAL  29          2HG2      VAL  29  37.404   1.348   3.208
  196   3HG2  VAL  29          1HG2      VAL  29  38.567   2.598   3.656
  197    H    VAL  30           H        VAL  30  40.230   0.209  -0.473
  198    HA   VAL  30           HA       VAL  30  42.678  -1.017   0.102
  199    HB   VAL  30           HB       VAL  30  41.101  -0.874  -2.465
  200   1HG1  VAL  30          3HG1      VAL  30  43.548  -2.363  -1.688
  201   2HG1  VAL  30          2HG1      VAL  30  42.354  -3.186  -2.693
  202   3HG1  VAL  30          1HG1      VAL  30  43.085  -1.678  -3.246
  203   1HG2  VAL  30          2HG2      VAL  30  41.109  -2.848  -0.181
  204   2HG2  VAL  30          1HG2      VAL  30  39.772  -1.825  -0.710
  205   3HG2  VAL  30          3HG2      VAL  30  40.333  -3.145  -1.738
  206    H    VAL  31           H        VAL  31  41.833   1.717  -1.936
  207    HA   VAL  31           HA       VAL  31  44.358   1.926  -3.237
  208    HB   VAL  31           HB       VAL  31  42.087   3.869  -2.871
  209   1HG1  VAL  31          2HG1      VAL  31  44.568   4.065  -4.564
  210   2HG1  VAL  31          1HG1      VAL  31  43.130   5.057  -4.816
  211   3HG1  VAL  31          3HG1      VAL  31  44.027   5.172  -3.301
  212   1HG2  VAL  31          1HG2      VAL  31  42.746   1.746  -4.841
  213   2HG2  VAL  31          3HG2      VAL  31  41.176   2.301  -4.257
  214   3HG2  VAL  31          2HG2      VAL  31  42.048   3.239  -5.472
  215    H    ILE  32           H        ILE  32  43.304   2.661  -0.102
  216    HA   ILE  32           HA       ILE  32  45.249   4.799   0.320
  217    HB   ILE  32           HB       ILE  32  43.234   3.489   2.145
  218   1HG1  ILE  32          2HG1      ILE  32  43.337   6.227   0.871
  219   2HG1  ILE  32          1HG1      ILE  32  42.252   4.912   0.428
  220   1HG2  ILE  32          3HG2      ILE  32  45.561   5.014   2.819
  221   2HG2  ILE  32          2HG2      ILE  32  44.118   5.952   3.212
  222   3HG2  ILE  32          1HG2      ILE  32  44.331   4.335   3.888
  223   1HD1  ILE  32          1HD1      ILE  32  42.095   5.439   3.266
  224   2HD1  ILE  32          3HD1      ILE  32  41.794   6.913   2.344
  225   3HD1  ILE  32          2HD1      ILE  32  40.813   5.475   2.053
  226    H    VAL  33           H        VAL  33  44.563   1.510   1.503
  227    HA   VAL  33           HA       VAL  33  47.063   1.361   2.932
  228    HB   VAL  33           HB       VAL  33  44.721  -0.451   2.458
  229   1HG1  VAL  33          1HG1      VAL  33  47.308  -1.274   3.766
  230   2HG1  VAL  33          3HG1      VAL  33  45.807  -2.201   3.785
  231   3HG1  VAL  33          2HG1      VAL  33  46.646  -1.910   2.260
  232   1HG2  VAL  33          3HG2      VAL  33  45.991   0.888   4.823
  233   2HG2  VAL  33          2HG2      VAL  33  44.332   1.014   4.234
  234   3HG2  VAL  33          1HG2      VAL  33  44.878  -0.466   5.024
  235    H    GLY  34           H        GLY  34  45.621  -0.561   0.276
  236   1HA   GLY  34          2HA       GLY  34  47.842  -1.991  -0.511
  237   2HA   GLY  34          1HA       GLY  34  46.573  -1.470  -1.620
  238    H    ALA  35           H        ALA  35  47.165   1.383  -0.975
  239    HA   ALA  35           HA       ALA  35  49.029   1.881  -3.074
  240   1HB   ALA  35          3HB       ALA  35  47.507   3.559  -1.123
  241   2HB   ALA  35          2HB       ALA  35  48.828   4.287  -2.040
  242   3HB   ALA  35          1HB       ALA  35  47.457   3.566  -2.887
  243    H    THR  36           H        THR  36  49.305   1.482   0.357
  244    HA   THR  36           HA       THR  36  51.882   2.790   0.535
  245    HB   THR  36           HB       THR  36  49.981   2.453   2.360
  246    HG1  THR  36           HG1      THR  36  51.799   2.657   3.922
  247   1HG2  THR  36          1HG2      THR  36  51.823   0.109   2.884
  248   2HG2  THR  36          3HG2      THR  36  50.611   0.733   4.004
  249   3HG2  THR  36          2HG2      THR  36  50.111   0.011   2.476
  250    H    ILE  37           H        ILE  37  50.668  -0.542   0.699
  251    HA   ILE  37           HA       ILE  37  52.993  -1.950   1.112
  252    HB   ILE  37           HB       ILE  37  50.716  -2.647  -0.733
  253   1HG1  ILE  37          2HG1      ILE  37  51.194  -3.222   2.178
  254   2HG1  ILE  37          1HG1      ILE  37  49.949  -2.179   1.507
  255   1HG2  ILE  37          1HG2      ILE  37  52.844  -4.392   0.500
  256   2HG2  ILE  37          3HG2      ILE  37  51.394  -4.996  -0.305
  257   3HG2  ILE  37          2HG2      ILE  37  52.593  -4.078  -1.218
  258   1HD1  ILE  37          2HD1      ILE  37  49.715  -4.718   0.245
  259   2HD1  ILE  37          1HD1      ILE  37  49.846  -4.996   1.983
  260   3HD1  ILE  37          3HD1      ILE  37  48.577  -3.944   1.350
  261    H    GLY  38           H        GLY  38  51.869  -0.416  -1.836
  262   1HA   GLY  38          2HA       GLY  38  53.707  -1.576  -3.647
  263   2HA   GLY  38          1HA       GLY  38  52.863  -0.043  -3.872
  264    H    ILE  39           H        ILE  39  53.733   1.721  -2.330
  265    HA   ILE  39           HA       ILE  39  56.371   2.294  -3.111
  266    HB   ILE  39           HB       ILE  39  54.777   3.500  -0.855
  267   1HG1  ILE  39          2HG1      ILE  39  54.925   4.976  -3.370
  268   2HG1  ILE  39          1HG1      ILE  39  54.113   3.427  -3.538
  269   1HG2  ILE  39          3HG2      ILE  39  57.422   3.974  -1.840
  270   2HG2  ILE  39          2HG2      ILE  39  56.416   5.393  -2.130
  271   3HG2  ILE  39          1HG2      ILE  39  56.578   4.746  -0.498
  272   1HD1  ILE  39          2HD1      ILE  39  53.127   4.542  -1.153
  273   2HD1  ILE  39          1HD1      ILE  39  53.151   5.859  -2.328
  274   3HD1  ILE  39          3HD1      ILE  39  52.271   4.373  -2.687
  275    H    LYS  40           H        LYS  40  55.046   0.820  -0.209
  276    HA   LYS  40           HA       LYS  40  57.325   0.988   1.433
  277   1HB   LYS  40          2HB       LYS  40  54.818   0.201   1.858
  278   2HB   LYS  40          1HB       LYS  40  55.536  -1.381   1.581
  279   1HG   LYS  40          2HG       LYS  40  56.047  -1.304   3.769
  280   2HG   LYS  40          1HG       LYS  40  57.345  -0.224   3.272
  281   1HD   LYS  40          2HD       LYS  40  54.632   0.923   3.766
  282   2HD   LYS  40          1HD       LYS  40  55.616   0.477   5.158
  283   1HE   LYS  40          2HE       LYS  40  56.144   2.563   3.051
  284   2HE   LYS  40          1HE       LYS  40  56.160   2.736   4.804
  285   1HZ   LYS  40          3HZ       LYS  40  58.111   1.046   4.612
  286   2HZ   LYS  40          2HZ       LYS  40  58.220   1.650   3.028
  287   3HZ   LYS  40          1HZ       LYS  40  58.373   2.701   4.353
  288    H    LEU  41           H        LEU  41  56.151  -1.579  -0.719
  289    HA   LEU  41           HA       LEU  41  58.224  -3.419  -0.334
  290   1HB   LEU  41          2HB       LEU  41  56.224  -2.889  -2.478
  291   2HB   LEU  41          1HB       LEU  41  57.543  -3.993  -2.838
  292    HG   LEU  41           HG       LEU  41  55.611  -4.220  -0.525
  293   1HD1  LEU  41          1HD1      LEU  41  54.625  -4.711  -2.738
  294   2HD1  LEU  41          3HD1      LEU  41  55.863  -5.943  -2.991
  295   3HD1  LEU  41          2HD1      LEU  41  54.687  -6.129  -1.688
  296   1HD2  LEU  41          2HD2      LEU  41  58.191  -5.460  -0.990
  297   2HD2  LEU  41          1HD2      LEU  41  57.152  -5.525   0.434
  298   3HD2  LEU  41          3HD2      LEU  41  56.906  -6.663  -0.890
  299    H    PHE  42           H        PHE  42  58.074  -0.495  -2.211
  300    HA   PHE  42           HA       PHE  42  60.304  -1.014  -3.912
  301   1HB   PHE  42          2HB       PHE  42  58.370   0.766  -4.053
  302   2HB   PHE  42          1HB       PHE  42  59.503   1.755  -3.142
  303    HD1  PHE  42           HD1      PHE  42  59.376  -0.434  -6.166
  304    HD2  PHE  42           HD2      PHE  42  61.041   3.028  -4.302
  305    HE1  PHE  42           HE1      PHE  42  60.561   0.121  -8.255
  306    HE2  PHE  42           HE2      PHE  42  62.226   3.583  -6.391
  307    HZ   PHE  42           HZ       PHE  42  61.986   2.129  -8.368
  308    H    LYS  43           H        LYS  43  59.911   0.724  -0.842
  309    HA   LYS  43           HA       LYS  43  62.533   1.708  -0.642
  310   1HB   LYS  43          2HB       LYS  43  60.470   1.044   1.442
  311   2HB   LYS  43          1HB       LYS  43  62.015   1.792   1.840
  312   1HG   LYS  43          2HG       LYS  43  60.343   3.002  -0.331
  313   2HG   LYS  43          1HG       LYS  43  59.855   3.264   1.332
  314   1HD   LYS  43          2HD       LYS  43  61.455   4.802   1.674
  315   2HD   LYS  43          1HD       LYS  43  62.705   3.780   0.980
  316   1HE   LYS  43          2HE       LYS  43  62.020   6.084  -0.133
  317   2HE   LYS  43          1HE       LYS  43  62.491   4.701  -1.114
  318   1HZ   LYS  43          2HZ       LYS  43  59.665   5.016  -0.400
  319   2HZ   LYS  43          1HZ       LYS  43  60.311   6.033  -1.597
  320   3HZ   LYS  43          3HZ       LYS  43  60.361   4.350  -1.799
  321    H    LYS  44           H        LYS  44  61.103  -1.349   0.382
  322    HA   LYS  44           HA       LYS  44  63.244  -2.325   1.906
  323   1HB   LYS  44          2HB       LYS  44  60.914  -3.269   1.764
  324   2HB   LYS  44          1HB       LYS  44  61.353  -3.976   0.226
  325   1HG   LYS  44          2HG       LYS  44  62.910  -4.515   2.761
  326   2HG   LYS  44          1HG       LYS  44  61.506  -5.479   2.285
  327   1HD   LYS  44          2HD       LYS  44  64.144  -5.207   0.796
  328   2HD   LYS  44          1HD       LYS  44  63.452  -6.700   1.443
  329   1HE   LYS  44          2HE       LYS  44  62.439  -5.072  -0.906
  330   2HE   LYS  44          1HE       LYS  44  63.133  -6.687  -0.948
  331   1HZ   LYS  44          3HZ       LYS  44  61.239  -7.411   0.455
  332   2HZ   LYS  44          2HZ       LYS  44  60.550  -5.870   0.259
  333   3HZ   LYS  44          1HZ       LYS  44  60.787  -6.876  -1.089
  334    H    PHE  45           H        PHE  45  62.479  -2.860  -1.533
  335    HA   PHE  45           HA       PHE  45  64.841  -4.369  -2.058
  336   1HB   PHE  45          2HB       PHE  45  62.649  -3.161  -3.662
  337   2HB   PHE  45          1HB       PHE  45  64.145  -3.536  -4.486
  338    HD1  PHE  45           HD2      PHE  45  65.066  -5.927  -4.339
  339    HD2  PHE  45           HD1      PHE  45  61.057  -4.896  -3.207
  340    HE1  PHE  45           HE2      PHE  45  64.392  -8.280  -4.531
  341    HE2  PHE  45           HE1      PHE  45  60.408  -7.255  -3.407
  342    HZ   PHE  45           HZ       PHE  45  62.068  -8.947  -4.068
  343    H    THR  46           H        THR  46  64.102  -0.973  -1.996
  344    HA   THR  46           HA       THR  46  66.562  -0.300  -3.412
  345    HB   THR  46           HB       THR  46  65.697   1.962  -3.354
  346    HG1  THR  46           HG1      THR  46  64.149   2.525  -2.041
  347   1HG2  THR  46          2HG2      THR  46  64.076  -0.293  -4.379
  348   2HG2  THR  46          1HG2      THR  46  63.318   1.302  -4.390
  349   3HG2  THR  46          3HG2      THR  46  64.837   1.041  -5.249
  350    H    SER  47           H        SER  47  65.659  -0.924  -0.239
  351    HA   SER  47           HA       SER  47  67.705   0.923   0.822
  352   1HB   SER  47          2HB       SER  47  65.323  -0.361   2.148
  353   2HB   SER  47          1HB       SER  47  66.591   0.478   3.035
  354    HG   SER  47           HG       SER  47  66.061   2.367   1.907
  355    H    LYS  48           H        LYS  48  67.653  -2.072  -0.285
  356    HA   LYS  48           HA       LYS  48  68.513  -3.713   1.808
  357   1HB   LYS  48          2HB       LYS  48  68.759  -3.793  -1.168
  358   2HB   LYS  48          1HB       LYS  48  69.696  -4.928  -0.203
  359   1HG   LYS  48          2HG       LYS  48  66.744  -4.618   0.275
  360   2HG   LYS  48          1HG       LYS  48  67.327  -5.608  -1.058
  361   1HD   LYS  48          2HD       LYS  48  68.888  -6.526   0.972
  362   2HD   LYS  48          1HD       LYS  48  67.414  -6.114   1.848
  363   1HE   LYS  48          2HE       LYS  48  67.246  -8.406   1.143
  364   2HE   LYS  48          1HE       LYS  48  66.123  -7.453   0.177
  365   1HZ   LYS  48          2HZ       LYS  48  68.837  -8.293  -0.684
  366   2HZ   LYS  48          1HZ       LYS  48  67.385  -9.037  -1.156
  367   3HZ   LYS  48          3HZ       LYS  48  67.706  -7.438  -1.621
  368    H    ALA  49           H        ALA  49  70.458  -2.099  -0.705
  369    HA   ALA  49           HA       ALA  49  72.686  -1.564  -0.785
  370   1HB   ALA  49          1HB       ALA  49  71.629   0.021   0.967
  371   2HB   ALA  49          3HB       ALA  49  72.488  -0.966   2.151
  372   3HB   ALA  49          2HB       ALA  49  73.388  -0.104   0.901
  373    H    SER  50           H        SER  50  72.501  -4.210  -0.674
  374    HA   SER  50           HA       SER  50  73.788  -5.459   1.525
  375   1HB   SER  50          2HB       SER  50  72.352  -6.402  -0.514
  376   2HB   SER  50          1HB       SER  50  73.958  -6.667  -1.183
  377    HG   SER  50           HG       SER  50  74.294  -8.196   0.271
   
  No H/Q in entry =         377
  Start of MODEL    2
    1   1H    ALA   1          2H        ALA   1   3.089 -12.854  17.955
    2   2H    ALA   1          1H        ALA   1   4.269 -12.349  16.843
    3   3H    ALA   1          3H        ALA   1   4.731 -13.168  18.255
    4    HA   ALA   1           HA       ALA   1   4.500 -11.378  19.584
    5   1HB   ALA   1          2HB       ALA   1   6.137 -10.791  17.778
    6   2HB   ALA   1          1HB       ALA   1   4.825 -10.011  16.893
    7   3HB   ALA   1          3HB       ALA   1   5.332  -9.374  18.459
    8    H    GLU   2           H        GLU   2   3.173  -9.861  20.476
    9    HA   GLU   2           HA       GLU   2   0.468  -9.885  19.998
   10   1HB   GLU   2          2HB       GLU   2   2.163  -8.625  21.789
   11   2HB   GLU   2          1HB       GLU   2   1.360  -7.290  20.965
   12   1HG   GLU   2          2HG       GLU   2  -0.832  -8.352  21.457
   13   2HG   GLU   2          1HG       GLU   2   0.011  -9.607  22.367
   14    H    GLY   3           H        GLY   3  -0.773  -9.138  18.409
   15   1HA   GLY   3          2HA       GLY   3   0.223  -7.667  16.217
   16   2HA   GLY   3          1HA       GLY   3  -1.474  -7.994  16.547
   17    H    ASP   4           H        ASP   4   1.111  -5.744  16.836
   18    HA   ASP   4           HA       ASP   4  -0.719  -3.562  17.311
   19   1HB   ASP   4          2HB       ASP   4   0.020  -4.664  19.587
   20   2HB   ASP   4          1HB       ASP   4   1.498  -3.744  19.300
   21    H    ASP   5           H        ASP   5   2.735  -4.136  17.860
   22    HA   ASP   5           HA       ASP   5   3.683  -3.011  15.484
   23   1HB   ASP   5          2HB       ASP   5   2.609  -0.962  16.521
   24   2HB   ASP   5          1HB       ASP   5   3.843  -1.062  17.778
   25    HA   PRO   6           HA       PRO   6   6.865  -4.935  18.179
   26   1HB   PRO   6          2HB       PRO   6   7.382  -7.091  16.632
   27   2HB   PRO   6          1HB       PRO   6   6.084  -7.048  17.835
   28   1HG   PRO   6          2HG       PRO   6   5.910  -7.024  14.914
   29   2HG   PRO   6          1HG       PRO   6   4.672  -7.422  16.115
   30   1HD   PRO   6          2HD       PRO   6   5.013  -4.966  14.656
   31   2HD   PRO   6          1HD       PRO   6   3.743  -5.388  15.823
   32    H    ALA   7           H        ALA   7   6.842  -3.204  15.465
   33    HA   ALA   7           HA       ALA   7   9.578  -3.834  14.608
   34   1HB   ALA   7          2HB       ALA   7   7.298  -2.322  13.381
   35   2HB   ALA   7          1HB       ALA   7   8.952  -2.043  12.831
   36   3HB   ALA   7          3HB       ALA   7   8.243  -3.654  12.711
   37    H    LYS   8           H        LYS   8   8.561  -2.267  17.100
   38    HA   LYS   8           HA       LYS   8   9.278   0.427  16.854
   39   1HB   LYS   8          2HB       LYS   8   9.391   0.418  19.259
   40   2HB   LYS   8          1HB       LYS   8   8.037  -0.582  18.756
   41   1HG   LYS   8          2HG       LYS   8   9.938  -2.464  18.851
   42   2HG   LYS   8          1HG       LYS   8  10.609  -1.358  20.045
   43   1HD   LYS   8          2HD       LYS   8   8.058  -2.947  20.113
   44   2HD   LYS   8          1HD       LYS   8   9.276  -2.747  21.364
   45   1HE   LYS   8          2HE       LYS   8   7.004  -0.924  20.617
   46   2HE   LYS   8          1HE       LYS   8   7.474  -1.524  22.205
   47   1HZ   LYS   8          2HZ       LYS   8   9.638  -0.089  21.376
   48   2HZ   LYS   8          1HZ       LYS   8   8.323   0.833  20.824
   49   3HZ   LYS   8          3HZ       LYS   8   8.448   0.437  22.468
   50    H    ALA   9           H        ALA   9  11.177  -2.471  17.319
   51    HA   ALA   9           HA       ALA   9  13.613  -1.117  18.020
   52   1HB   ALA   9          1HB       ALA   9  12.694  -3.752  18.073
   53   2HB   ALA   9          3HB       ALA   9  13.986  -3.751  16.870
   54   3HB   ALA   9          2HB       ALA   9  14.307  -3.189  18.512
   55    H    ALA  10           H        ALA  10  12.420  -2.752  15.092
   56    HA   ALA  10           HA       ALA  10  14.640  -2.172  13.455
   57   1HB   ALA  10          3HB       ALA  10  12.511  -3.728  13.122
   58   2HB   ALA  10          2HB       ALA  10  11.916  -2.309  12.256
   59   3HB   ALA  10          1HB       ALA  10  13.415  -3.091  11.746
   60    H    PHE  11           H        PHE  11  11.898  -0.283  14.445
   61    HA   PHE  11           HA       PHE  11  12.123   1.731  12.413
   62   1HB   PHE  11          2HB       PHE  11  10.182   1.053  14.154
   63   2HB   PHE  11          1HB       PHE  11  10.895   2.404  15.019
   64    HD1  PHE  11           HD2      PHE  11  11.210   4.615  13.720
   65    HD2  PHE  11           HD1      PHE  11   8.631   1.458  12.397
   66    HE1  PHE  11           HE2      PHE  11   9.985   6.200  12.291
   67    HE2  PHE  11           HE1      PHE  11   7.421   3.055  10.975
   68    HZ   PHE  11           HZ       PHE  11   8.094   5.423  10.920
   69    H    ASN  12           H        ASN  12  13.133   1.462  15.802
   70    HA   ASN  12           HA       ASN  12  14.370   4.044  15.882
   71   1HB   ASN  12          2HB       ASN  12  13.488   2.548  17.827
   72   2HB   ASN  12          1HB       ASN  12  15.087   1.808  17.744
   73   1HD2  ASN  12          2HD2      ASN  12  15.826   4.346  20.109
   74   2HD2  ASN  12          1HD2      ASN  12  15.325   2.703  19.919
   75    H    SER  13           H        SER  13  15.341   0.911  14.800
   76    HA   SER  13           HA       SER  13  18.189   1.484  14.949
   77   1HB   SER  13          2HB       SER  13  16.706  -0.851  14.908
   78   2HB   SER  13          1HB       SER  13  17.403  -0.781  13.291
   79    HG   SER  13           HG       SER  13  18.831  -0.572  15.743
   80    H    LEU  14           H        LEU  14  15.602   1.481  12.588
   81    HA   LEU  14           HA       LEU  14  17.022   1.560  10.204
   82   1HB   LEU  14          2HB       LEU  14  14.611   1.403  10.234
   83   2HB   LEU  14          1HB       LEU  14  14.485   2.984  10.996
   84    HG   LEU  14           HG       LEU  14  15.578   3.986   8.976
   85   1HD1  LEU  14          3HD1      LEU  14  15.328   1.164   7.932
   86   2HD1  LEU  14          2HD1      LEU  14  15.455   2.560   6.864
   87   3HD1  LEU  14          1HD1      LEU  14  16.764   2.189   7.986
   88   1HD2  LEU  14          3HD2      LEU  14  12.935   2.560   8.703
   89   2HD2  LEU  14          2HD2      LEU  14  13.245   4.275   8.999
   90   3HD2  LEU  14          1HD2      LEU  14  13.573   3.579   7.412
   91    H    GLN  15           H        GLN  15  16.291   4.143  12.489
   92    HA   GLN  15           HA       GLN  15  17.260   6.316  10.976
   93   1HB   GLN  15          2HB       GLN  15  15.864   6.613  12.949
   94   2HB   GLN  15          1HB       GLN  15  17.127   5.933  13.969
   95   1HG   GLN  15          2HG       GLN  15  17.460   8.213  14.257
   96   2HG   GLN  15          1HG       GLN  15  18.594   7.851  12.955
   97   1HE2  GLN  15          2HD2      GLN  15  17.137  10.532  11.247
   98   2HE2  GLN  15          1HD2      GLN  15  18.524   9.907  12.063
   99    H    ALA  16           H        ALA  16  18.846   4.065  13.178
  100    HA   ALA  16           HA       ALA  16  21.416   5.418  12.873
  101   1HB   ALA  16          3HB       ALA  16  20.479   3.074  14.515
  102   2HB   ALA  16          2HB       ALA  16  22.179   3.536  14.404
  103   3HB   ALA  16          1HB       ALA  16  21.000   4.662  15.079
  104    H    SER  17           H        SER  17  19.889   3.792  10.719
  105    HA   SER  17           HA       SER  17  22.072   1.920  10.050
  106   1HB   SER  17          2HB       SER  17  20.535   0.586   8.915
  107   2HB   SER  17          1HB       SER  17  19.624   1.125  10.321
  108    HG   SER  17           HG       SER  17  18.569   1.329   8.173
  109    H    ALA  18           H        ALA  18  22.322   4.710   9.622
  110    HA   ALA  18           HA       ALA  18  21.870   5.124   6.758
  111   1HB   ALA  18          1HB       ALA  18  21.779   6.820   8.925
  112   2HB   ALA  18          3HB       ALA  18  23.346   7.189   8.201
  113   3HB   ALA  18          2HB       ALA  18  21.875   7.318   7.234
  114    H    THR  19           H        THR  19  23.592   3.089   7.153
  115    HA   THR  19           HA       THR  19  26.315   4.155   6.866
  116    HB   THR  19           HB       THR  19  27.048   1.853   7.096
  117    HG1  THR  19           HG1      THR  19  25.646   0.187   7.108
  118   1HG2  THR  19          1HG2      THR  19  25.279   3.113   9.096
  119   2HG2  THR  19          3HG2      THR  19  25.563   1.387   9.332
  120   3HG2  THR  19          2HG2      THR  19  26.928   2.506   9.267
  121    H    GLU  20           H        GLU  20  24.175   4.414   4.823
  122    HA   GLU  20           HA       GLU  20  25.016   2.663   2.674
  123   1HB   GLU  20          2HB       GLU  20  22.717   4.206   3.278
  124   2HB   GLU  20          1HB       GLU  20  23.377   4.812   1.765
  125   1HG   GLU  20          2HG       GLU  20  22.530   1.984   2.405
  126   2HG   GLU  20          1HG       GLU  20  21.820   3.076   1.220
  127    H    TYR  21           H        TYR  21  26.083   5.552   3.987
  128    HA   TYR  21           HA       TYR  21  27.293   6.415   1.440
  129   1HB   TYR  21          2HB       TYR  21  26.536   7.894   3.936
  130   2HB   TYR  21          1HB       TYR  21  27.726   8.552   2.824
  131    HD1  TYR  21           HD2      TYR  21  27.059   9.282   0.574
  132    HD2  TYR  21           HD1      TYR  21  24.206   7.700   3.336
  133    HE1  TYR  21           HE2      TYR  21  25.223  10.148  -0.817
  134    HE2  TYR  21           HE1      TYR  21  22.376   8.567   1.935
  135    HH   TYR  21           HH       TYR  21  22.967   9.968  -1.214
  136    H    ILE  22           H        ILE  22  27.976   5.175   4.599
  137    HA   ILE  22           HA       ILE  22  30.787   5.939   4.489
  138    HB   ILE  22           HB       ILE  22  29.130   4.404   6.489
  139   1HG1  ILE  22          2HG1      ILE  22  28.874   6.961   6.210
  140   2HG1  ILE  22          1HG1      ILE  22  29.140   6.344   7.849
  141   1HG2  ILE  22          1HG2      ILE  22  32.072   5.110   6.620
  142   2HG2  ILE  22          3HG2      ILE  22  31.124   4.574   8.009
  143   3HG2  ILE  22          2HG2      ILE  22  31.359   3.495   6.630
  144   1HD1  ILE  22          1HD1      ILE  22  31.715   6.850   6.798
  145   2HD1  ILE  22          3HD1      ILE  22  30.715   8.232   6.343
  146   3HD1  ILE  22          2HD1      ILE  22  30.853   7.758   8.036
  147    H    GLY  23           H        GLY  23  28.943   3.486   3.168
  148   1HA   GLY  23          2HA       GLY  23  30.807   1.311   3.547
  149   2HA   GLY  23          1HA       GLY  23  29.366   1.299   2.530
  150    H    TYR  24           H        TYR  24  30.287   3.867   1.251
  151    HA   TYR  24           HA       TYR  24  31.790   2.659  -0.900
  152   1HB   TYR  24          2HB       TYR  24  31.232   5.593  -0.579
  153   2HB   TYR  24          1HB       TYR  24  31.462   4.683  -2.062
  154    HD1  TYR  24           HD2      TYR  24  29.492   2.403  -0.715
  155    HD2  TYR  24           HD1      TYR  24  29.222   6.555  -1.711
  156    HE1  TYR  24           HE2      TYR  24  27.059   2.194  -0.956
  157    HE2  TYR  24           HE1      TYR  24  26.783   6.327  -1.947
  158    HH   TYR  24           HH       TYR  24  25.190   4.043  -2.529
  159    H    ALA  25           H        ALA  25  32.486   4.662   1.860
  160    HA   ALA  25           HA       ALA  25  34.996   5.677   1.042
  161   1HB   ALA  25          3HB       ALA  25  33.652   5.250   3.684
  162   2HB   ALA  25          2HB       ALA  25  35.346   5.746   3.624
  163   3HB   ALA  25          1HB       ALA  25  34.102   6.761   2.890
  164    H    TRP  26           H        TRP  26  34.020   2.513   1.874
  165    HA   TRP  26           HA       TRP  26  36.603   1.631   2.842
  166   1HB   TRP  26          2HB       TRP  26  33.895   0.556   2.645
  167   2HB   TRP  26          1HB       TRP  26  35.131  -0.616   2.225
  168    HD1  TRP  26          1HD       TRP  26  33.378   0.761   5.171
  169    HE1  TRP  26          1HE       TRP  26  34.589   0.086   7.314
  170    HE3  TRP  26          3HE       TRP  26  37.792  -0.927   3.200
  171    HZ2  TRP  26          2HZ       TRP  26  37.052  -1.009   8.108
  172    HZ3  TRP  26          3HZ       TRP  26  39.538  -1.777   4.714
  173    HH2  TRP  26           HH2      TRP  26  39.175  -1.820   7.146
  174    H    ALA  27           H        ALA  27  34.560   0.926   0.009
  175    HA   ALA  27           HA       ALA  27  36.176  -0.754  -1.412
  176   1HB   ALA  27          1HB       ALA  27  33.869   0.101  -2.029
  177   2HB   ALA  27          3HB       ALA  27  34.678   1.505  -2.725
  178   3HB   ALA  27          2HB       ALA  27  35.001  -0.107  -3.367
  179    H    MET  28           H        MET  28  36.559   2.734  -1.068
  180    HA   MET  28           HA       MET  28  38.580   2.972  -3.077
  181   1HB   MET  28          2HB       MET  28  37.625   4.740  -0.846
  182   2HB   MET  28          1HB       MET  28  38.977   5.171  -1.856
  183   1HG   MET  28          2HG       MET  28  36.116   4.842  -2.701
  184   2HG   MET  28          1HG       MET  28  37.110   6.283  -2.772
  185   1HE   MET  28          2HE       MET  28  37.716   7.187  -4.669
  186   2HE   MET  28          1HE       MET  28  38.056   6.450  -6.234
  187   3HE   MET  28          3HE       MET  28  36.390   6.561  -5.648
  188    H    VAL  29           H        VAL  29  38.531   2.596   0.430
  189    HA   VAL  29           HA       VAL  29  41.189   2.998   1.051
  190    HB   VAL  29           HB       VAL  29  38.903   1.948   2.303
  191   1HG1  VAL  29          1HG1      VAL  29  41.230   0.056   2.606
  192   2HG1  VAL  29          3HG1      VAL  29  39.861   0.135   3.718
  193   3HG1  VAL  29          2HG1      VAL  29  39.605  -0.324   2.033
  194   1HG2  VAL  29          1HG2      VAL  29  41.643   2.592   3.388
  195   2HG2  VAL  29          3HG2      VAL  29  40.277   3.697   3.222
  196   3HG2  VAL  29          2HG2      VAL  29  40.199   2.364   4.375
  197    H    VAL  30           H        VAL  30  39.662  -0.038   0.022
  198    HA   VAL  30           HA       VAL  30  41.832  -1.728   0.014
  199    HB   VAL  30           HB       VAL  30  39.587  -1.577  -1.991
  200   1HG1  VAL  30          3HG1      VAL  30  41.481  -3.008  -2.670
  201   2HG1  VAL  30          2HG1      VAL  30  41.284  -3.926  -1.176
  202   3HG1  VAL  30          1HG1      VAL  30  39.997  -3.917  -2.383
  203   1HG2  VAL  30          1HG2      VAL  30  39.674  -2.297   0.824
  204   2HG2  VAL  30          3HG2      VAL  30  38.285  -2.019  -0.228
  205   3HG2  VAL  30          2HG2      VAL  30  39.056  -3.606  -0.185
  206    H    VAL  31           H        VAL  31  40.915   0.727  -2.338
  207    HA   VAL  31           HA       VAL  31  42.932  -0.006  -4.241
  208    HB   VAL  31           HB       VAL  31  41.144   2.401  -3.972
  209   1HG1  VAL  31          2HG1      VAL  31  43.278   1.738  -5.926
  210   2HG1  VAL  31          1HG1      VAL  31  41.805   2.502  -6.528
  211   3HG1  VAL  31          3HG1      VAL  31  42.771   3.302  -5.288
  212   1HG2  VAL  31          1HG2      VAL  31  40.929  -0.239  -5.321
  213   2HG2  VAL  31          3HG2      VAL  31  39.680   0.748  -4.561
  214   3HG2  VAL  31          2HG2      VAL  31  40.274   1.162  -6.171
  215    H    ILE  32           H        ILE  32  42.672   2.072  -1.506
  216    HA   ILE  32           HA       ILE  32  45.053   3.609  -2.127
  217    HB   ILE  32           HB       ILE  32  43.380   3.468   0.380
  218   1HG1  ILE  32          2HG1      ILE  32  43.431   5.483  -1.873
  219   2HG1  ILE  32          1HG1      ILE  32  42.139   4.333  -1.539
  220   1HG2  ILE  32          3HG2      ILE  32  45.732   4.218   0.735
  221   2HG2  ILE  32          2HG2      ILE  32  45.435   5.536  -0.401
  222   3HG2  ILE  32          1HG2      ILE  32  44.525   5.450   1.109
  223   1HD1  ILE  32          2HD1      ILE  32  43.034   6.334   0.528
  224   2HD1  ILE  32          1HD1      ILE  32  41.829   6.746  -0.694
  225   3HD1  ILE  32          3HD1      ILE  32  41.514   5.440   0.451
  226    H    VAL  33           H        VAL  33  44.221   0.699  -0.450
  227    HA   VAL  33           HA       VAL  33  46.406   0.514   1.315
  228    HB   VAL  33           HB       VAL  33  44.707  -1.605   0.008
  229   1HG1  VAL  33          3HG1      VAL  33  46.987  -1.765   1.765
  230   2HG1  VAL  33          2HG1      VAL  33  45.552  -2.491   2.493
  231   3HG1  VAL  33          1HG1      VAL  33  46.122  -3.047   0.919
  232   1HG2  VAL  33          2HG2      VAL  33  44.199   0.327   2.101
  233   2HG2  VAL  33          1HG2      VAL  33  43.082  -0.775   1.293
  234   3HG2  VAL  33          3HG2      VAL  33  44.010  -1.326   2.690
  235    H    GLY  34           H        GLY  34  45.941  -0.343  -2.065
  236   1HA   GLY  34          2HA       GLY  34  48.315  -1.890  -2.360
  237   2HA   GLY  34          1HA       GLY  34  47.376  -1.170  -3.668
  238    H    ALA  35           H        ALA  35  47.524   1.514  -2.995
  239    HA   ALA  35           HA       ALA  35  49.884   2.377  -4.158
  240   1HB   ALA  35          3HB       ALA  35  47.623   3.615  -3.375
  241   2HB   ALA  35          2HB       ALA  35  48.716   4.164  -2.101
  242   3HB   ALA  35          1HB       ALA  35  49.100   4.484  -3.795
  243    H    THR  36           H        THR  36  49.259   1.407  -0.896
  244    HA   THR  36           HA       THR  36  51.626   2.576   0.264
  245    HB   THR  36           HB       THR  36  49.564   0.591   1.207
  246    HG1  THR  36           HG1      THR  36  49.336   2.477   2.734
  247   1HG2  THR  36          2HG2      THR  36  52.062   1.530   2.597
  248   2HG2  THR  36          1HG2      THR  36  50.644   0.980   3.493
  249   3HG2  THR  36          3HG2      THR  36  51.470  -0.121   2.388
  250    H    ILE  37           H        ILE  37  50.620  -0.659  -0.812
  251    HA   ILE  37           HA       ILE  37  52.894  -2.085  -0.021
  252    HB   ILE  37           HB       ILE  37  51.144  -2.546  -2.428
  253   1HG1  ILE  37          2HG1      ILE  37  50.924  -3.498   0.414
  254   2HG1  ILE  37          1HG1      ILE  37  49.814  -2.423  -0.424
  255   1HG2  ILE  37          2HG2      ILE  37  53.265  -3.801  -2.490
  256   2HG2  ILE  37          1HG2      ILE  37  52.890  -4.480  -0.905
  257   3HG2  ILE  37          3HG2      ILE  37  51.868  -4.861  -2.292
  258   1HD1  ILE  37          2HD1      ILE  37  49.747  -4.517  -2.111
  259   2HD1  ILE  37          1HD1      ILE  37  50.111  -5.371  -0.609
  260   3HD1  ILE  37          3HD1      ILE  37  48.660  -4.373  -0.727
  261    H    GLY  38           H        GLY  38  52.439   0.175  -2.593
  262   1HA   GLY  38          2HA       GLY  38  54.712  -0.677  -4.163
  263   2HA   GLY  38          1HA       GLY  38  53.750   0.782  -4.406
  264    H    ILE  39           H        ILE  39  54.147   1.401  -1.460
  265    HA   ILE  39           HA       ILE  39  56.693   2.805  -1.808
  266    HB   ILE  39           HB       ILE  39  55.022   3.097   0.640
  267   1HG1  ILE  39          2HG1      ILE  39  53.292   3.233  -0.975
  268   2HG1  ILE  39          1HG1      ILE  39  53.701   4.871  -0.525
  269   1HG2  ILE  39          3HG2      ILE  39  57.222   4.274   0.177
  270   2HG2  ILE  39          2HG2      ILE  39  56.337   5.210  -1.031
  271   3HG2  ILE  39          1HG2      ILE  39  55.861   5.286   0.665
  272   1HD1  ILE  39          2HD1      ILE  39  55.179   4.954  -2.581
  273   2HD1  ILE  39          1HD1      ILE  39  54.424   3.436  -3.075
  274   3HD1  ILE  39          3HD1      ILE  39  53.444   4.888  -2.882
  275    H    LYS  40           H        LYS  40  55.129   0.432   0.229
  276    HA   LYS  40           HA       LYS  40  57.142   0.148   2.173
  277   1HB   LYS  40          2HB       LYS  40  54.668  -0.850   1.878
  278   2HB   LYS  40          1HB       LYS  40  55.599  -2.233   1.328
  279   1HG   LYS  40          2HG       LYS  40  55.716  -2.750   3.516
  280   2HG   LYS  40          1HG       LYS  40  56.954  -1.498   3.588
  281   1HD   LYS  40          2HD       LYS  40  54.043  -0.828   3.896
  282   2HD   LYS  40          1HD       LYS  40  54.987  -1.393   5.273
  283   1HE   LYS  40          2HE       LYS  40  55.391   1.115   3.630
  284   2HE   LYS  40          1HE       LYS  40  55.051   0.990   5.354
  285   1HZ   LYS  40          2HZ       LYS  40  57.313  -0.418   5.159
  286   2HZ   LYS  40          1HZ       LYS  40  57.562   0.754   3.954
  287   3HZ   LYS  40          3HZ       LYS  40  57.244   1.234   5.547
  288    H    LEU  41           H        LEU  41  56.474  -1.689  -0.794
  289    HA   LEU  41           HA       LEU  41  58.655  -3.433  -0.706
  290   1HB   LEU  41          2HB       LEU  41  57.002  -2.281  -2.932
  291   2HB   LEU  41          1HB       LEU  41  58.360  -3.340  -3.287
  292    HG   LEU  41           HG       LEU  41  55.953  -3.990  -1.582
  293   1HD1  LEU  41          1HD1      LEU  41  55.541  -3.983  -4.008
  294   2HD1  LEU  41          3HD1      LEU  41  56.854  -5.143  -4.223
  295   3HD1  LEU  41          2HD1      LEU  41  55.411  -5.602  -3.316
  296   1HD2  LEU  41          3HD2      LEU  41  58.566  -5.374  -1.909
  297   2HD2  LEU  41          2HD2      LEU  41  57.475  -5.318  -0.521
  298   3HD2  LEU  41          1HD2      LEU  41  57.112  -6.374  -1.886
  299    H    PHE  42           H        PHE  42  58.411  -0.090  -1.660
  300    HA   PHE  42           HA       PHE  42  60.921   0.104  -3.008
  301   1HB   PHE  42          2HB       PHE  42  58.832   1.662  -3.058
  302   2HB   PHE  42          1HB       PHE  42  59.579   2.410  -1.656
  303    HD1  PHE  42           HD2      PHE  42  61.893   3.366  -1.873
  304    HD2  PHE  42           HD1      PHE  42  59.599   2.099  -5.243
  305    HE1  PHE  42           HE2      PHE  42  63.344   4.694  -3.360
  306    HE2  PHE  42           HE1      PHE  42  61.049   3.428  -6.728
  307    HZ   PHE  42           HZ       PHE  42  62.920   4.726  -5.787
  308    H    LYS  43           H        LYS  43  59.888   0.255   0.299
  309    HA   LYS  43           HA       LYS  43  62.388   1.421   1.227
  310   1HB   LYS  43          2HB       LYS  43  59.887   0.507   2.619
  311   2HB   LYS  43          1HB       LYS  43  61.303   1.086   3.491
  312   1HG   LYS  43          2HG       LYS  43  60.145   2.755   1.279
  313   2HG   LYS  43          1HG       LYS  43  59.343   2.738   2.836
  314   1HD   LYS  43          2HD       LYS  43  60.830   4.186   3.686
  315   2HD   LYS  43          1HD       LYS  43  62.173   3.148   3.247
  316   1HE   LYS  43          2HE       LYS  43  61.083   5.536   1.858
  317   2HE   LYS  43          1HE       LYS  43  62.742   4.975   2.009
  318   1HZ   LYS  43          1HZ       LYS  43  61.952   3.113   0.437
  319   2HZ   LYS  43          3HZ       LYS  43  60.685   4.175   0.067
  320   3HZ   LYS  43          2HZ       LYS  43  62.293   4.647  -0.201
  321    H    LYS  44           H        LYS  44  61.957  -1.450   0.027
  322    HA   LYS  44           HA       LYS  44  63.207  -2.936   2.241
  323   1HB   LYS  44          2HB       LYS  44  61.119  -3.886   1.343
  324   2HB   LYS  44          1HB       LYS  44  61.840  -3.970  -0.253
  325   1HG   LYS  44          2HG       LYS  44  63.583  -5.256   1.624
  326   2HG   LYS  44          1HG       LYS  44  61.950  -5.895   1.810
  327   1HD   LYS  44          2HD       LYS  44  62.088  -5.888  -0.874
  328   2HD   LYS  44          1HD       LYS  44  63.803  -6.071  -0.522
  329   1HE   LYS  44          2HE       LYS  44  62.268  -8.213  -0.804
  330   2HE   LYS  44          1HE       LYS  44  63.551  -8.183   0.401
  331   1HZ   LYS  44          1HZ       LYS  44  60.784  -7.362   1.048
  332   2HZ   LYS  44          3HZ       LYS  44  61.275  -8.984   1.122
  333   3HZ   LYS  44          2HZ       LYS  44  62.027  -7.824   2.110
  334    H    PHE  45           H        PHE  45  63.365  -2.545  -1.290
  335    HA   PHE  45           HA       PHE  45  65.798  -3.875  -1.716
  336   1HB   PHE  45          2HB       PHE  45  64.168  -1.869  -3.181
  337   2HB   PHE  45          1HB       PHE  45  65.829  -2.086  -3.681
  338    HD1  PHE  45           HD2      PHE  45  66.632  -4.385  -4.388
  339    HD2  PHE  45           HD1      PHE  45  62.486  -3.488  -3.760
  340    HE1  PHE  45           HE2      PHE  45  65.993  -6.382  -5.668
  341    HE2  PHE  45           HE1      PHE  45  61.870  -5.491  -5.039
  342    HZ   PHE  45           HZ       PHE  45  63.618  -6.938  -5.994
  343    H    THR  46           H        THR  46  65.078  -0.696  -0.519
  344    HA   THR  46           HA       THR  46  67.824   0.213  -0.834
  345    HB   THR  46           HB       THR  46  66.956   2.324  -0.026
  346    HG1  THR  46           HG1      THR  46  65.437   1.783   1.452
  347   1HG2  THR  46          1HG2      THR  46  65.791   0.875  -2.291
  348   2HG2  THR  46          3HG2      THR  46  64.838   2.261  -1.755
  349   3HG2  THR  46          2HG2      THR  46  66.523   2.481  -2.231
  350    H    SER  47           H        SER  47  65.775  -1.198   1.560
  351    HA   SER  47           HA       SER  47  67.103  -0.248   3.890
  352   1HB   SER  47          2HB       SER  47  65.841  -1.876   5.068
  353   2HB   SER  47          1HB       SER  47  64.807  -1.309   3.761
  354    HG   SER  47           HG       SER  47  64.737  -3.546   3.752
  355    H    LYS  48           H        LYS  48  67.797  -2.722   1.566
  356    HA   LYS  48           HA       LYS  48  69.370  -4.504   2.948
  357   1HB   LYS  48          2HB       LYS  48  69.897  -3.410   0.186
  358   2HB   LYS  48          1HB       LYS  48  70.479  -4.943   0.825
  359   1HG   LYS  48          2HG       LYS  48  67.664  -4.918   1.175
  360   2HG   LYS  48          1HG       LYS  48  67.985  -4.353  -0.461
  361   1HD   LYS  48          2HD       LYS  48  69.149  -6.875   0.729
  362   2HD   LYS  48          1HD       LYS  48  67.715  -6.828  -0.292
  363   1HE   LYS  48          2HE       LYS  48  69.055  -5.839  -2.111
  364   2HE   LYS  48          1HE       LYS  48  70.487  -5.915  -1.088
  365   1HZ   LYS  48          2HZ       LYS  48  68.931  -8.357  -1.588
  366   2HZ   LYS  48          1HZ       LYS  48  69.999  -7.791  -2.781
  367   3HZ   LYS  48          3HZ       LYS  48  70.585  -8.185  -1.240
  368    H    ALA  49           H        ALA  49  70.324  -1.414   1.495
  369    HA   ALA  49           HA       ALA  49  72.984  -1.306   1.787
  370   1HB   ALA  49          1HB       ALA  49  71.461   0.548   1.027
  371   2HB   ALA  49          3HB       ALA  49  71.217   0.946   2.729
  372   3HB   ALA  49          2HB       ALA  49  72.829   1.065   2.017
  373    H    SER  50           H        SER  50  74.231  -2.031   3.384
  374    HA   SER  50           HA       SER  50  73.473  -2.315   6.074
  375   1HB   SER  50          2HB       SER  50  75.612  -3.109   6.438
  376   2HB   SER  50          1HB       SER  50  75.438  -3.370   4.706
  377    HG   SER  50           HG       SER  50  76.650  -1.522   4.336
   
  No H/Q in entry =         377
  Start of MODEL    3
    1   1H    ALA   1          3H        ALA   1  11.973 -20.069  23.925
    2   2H    ALA   1          2H        ALA   1  10.375 -19.600  23.590
    3   3H    ALA   1          1H        ALA   1  10.686 -20.806  24.747
    4    HA   ALA   1           HA       ALA   1  11.029 -22.416  23.235
    5   1HB   ALA   1          3HB       ALA   1   9.398 -20.384  21.676
    6   2HB   ALA   1          2HB       ALA   1   9.544 -22.089  21.243
    7   3HB   ALA   1          1HB       ALA   1   8.763 -21.626  22.760
    8    H    GLU   2           H        GLU   2  11.139 -19.589  21.076
    9    HA   GLU   2           HA       GLU   2  13.831 -19.603  20.452
   10   1HB   GLU   2          2HB       GLU   2  13.775 -20.777  18.234
   11   2HB   GLU   2          1HB       GLU   2  13.649 -21.840  19.631
   12   1HG   GLU   2          2HG       GLU   2  11.634 -22.583  18.981
   13   2HG   GLU   2          1HG       GLU   2  11.033 -20.939  18.763
   14    H    GLY   3           H        GLY   3  12.074 -17.614  20.765
   15   1HA   GLY   3          2HA       GLY   3  11.321 -15.656  19.832
   16   2HA   GLY   3          1HA       GLY   3  12.386 -16.020  18.475
   17    H    ASP   4           H        ASP   4   9.192 -15.705  19.480
   18    HA   ASP   4           HA       ASP   4   8.133 -17.239  17.202
   19   1HB   ASP   4          2HB       ASP   4   7.237 -16.816  19.886
   20   2HB   ASP   4          1HB       ASP   4   6.035 -16.172  18.768
   21    H    ASP   5           H        ASP   5   7.380 -14.210  18.885
   22    HA   ASP   5           HA       ASP   5   5.947 -12.950  16.888
   23   1HB   ASP   5          2HB       ASP   5   6.598 -12.252  19.365
   24   2HB   ASP   5          1HB       ASP   5   7.824 -11.307  18.519
   25    HA   PRO   6           HA       PRO   6   9.033 -12.011  13.850
   26   1HB   PRO   6          2HB       PRO   6   7.624 -10.260  12.348
   27   2HB   PRO   6          1HB       PRO   6   7.321 -12.003  12.356
   28   1HG   PRO   6          2HG       PRO   6   5.732  -9.826  13.516
   29   2HG   PRO   6          1HG       PRO   6   5.238 -11.460  13.046
   30   1HD   PRO   6          2HD       PRO   6   5.794 -10.499  15.671
   31   2HD   PRO   6          1HD       PRO   6   5.384 -12.154  15.186
   32    H    ALA   7           H        ALA   7   8.531 -10.084  16.354
   33    HA   ALA   7           HA       ALA   7   9.087  -7.459  15.644
   34   1HB   ALA   7          1HB       ALA   7   9.915  -9.051  18.071
   35   2HB   ALA   7          3HB       ALA   7  10.165  -7.310  17.920
   36   3HB   ALA   7          2HB       ALA   7   8.528  -7.971  17.910
   37    H    LYS   8           H        LYS   8  11.141 -10.247  15.591
   38    HA   LYS   8           HA       LYS   8  13.686  -9.202  15.791
   39   1HB   LYS   8          2HB       LYS   8  12.497 -11.444  14.196
   40   2HB   LYS   8          1HB       LYS   8  14.195 -11.024  14.001
   41   1HG   LYS   8          2HG       LYS   8  12.804 -11.874  16.556
   42   2HG   LYS   8          1HG       LYS   8  14.018 -12.800  15.676
   43   1HD   LYS   8          2HD       LYS   8  14.358 -10.315  17.351
   44   2HD   LYS   8          1HD       LYS   8  15.217 -11.845  17.459
   45   1HE   LYS   8          2HE       LYS   8  15.585  -9.628  15.441
   46   2HE   LYS   8          1HE       LYS   8  16.775 -10.315  16.544
   47   1HZ   LYS   8          2HZ       LYS   8  15.841 -12.404  14.982
   48   2HZ   LYS   8          1HZ       LYS   8  16.126 -11.112  13.917
   49   3HZ   LYS   8          3HZ       LYS   8  17.371 -11.670  14.924
   50    H    ALA   9           H        ALA   9  11.341  -8.788  13.273
   51    HA   ALA   9           HA       ALA   9  12.868  -8.152  11.060
   52   1HB   ALA   9          3HB       ALA   9  10.284  -6.923  12.032
   53   2HB   ALA   9          2HB       ALA   9  10.969  -6.640  10.430
   54   3HB   ALA   9          1HB       ALA   9  10.471  -8.267  10.903
   55    H    ALA  10           H        ALA  10  11.464  -5.677  13.200
   56    HA   ALA  10           HA       ALA  10  12.883  -3.489  12.340
   57   1HB   ALA  10          2HB       ALA  10  11.225  -4.132  14.544
   58   2HB   ALA  10          1HB       ALA  10  12.657  -3.324  15.185
   59   3HB   ALA  10          3HB       ALA  10  11.676  -2.532  13.951
   60    H    PHE  11           H        PHE  11  13.831  -5.700  14.968
   61    HA   PHE  11           HA       PHE  11  16.240  -4.473  15.662
   62   1HB   PHE  11          2HB       PHE  11  14.973  -6.419  16.779
   63   2HB   PHE  11          1HB       PHE  11  15.876  -7.451  15.683
   64    HD1  PHE  11           HD2      PHE  11  18.403  -7.440  15.768
   65    HD2  PHE  11           HD1      PHE  11  16.004  -5.486  18.734
   66    HE1  PHE  11           HE2      PHE  11  20.324  -7.382  17.298
   67    HE2  PHE  11           HE1      PHE  11  17.938  -5.436  20.250
   68    HZ   PHE  11           HZ       PHE  11  20.096  -6.383  19.536
   69    H    ASN  12           H        ASN  12  15.532  -6.836  13.130
   70    HA   ASN  12           HA       ASN  12  18.271  -7.207  12.362
   71   1HB   ASN  12          2HB       ASN  12  16.116  -8.691  11.950
   72   2HB   ASN  12          1HB       ASN  12  16.040  -7.745  10.463
   73   1HD2  ASN  12          2HD2      ASN  12  18.372 -10.865  10.465
   74   2HD2  ASN  12          1HD2      ASN  12  16.925 -10.611  11.375
   75    H    SER  13           H        SER  13  15.811  -4.900  11.626
   76    HA   SER  13           HA       SER  13  16.811  -3.990   9.119
   77   1HB   SER  13          2HB       SER  13  15.390  -2.046  10.787
   78   2HB   SER  13          1HB       SER  13  15.023  -2.626   9.161
   79    HG   SER  13           HG       SER  13  13.493  -3.707  10.138
   80    H    LEU  14           H        LEU  14  17.727  -3.429  12.405
   81    HA   LEU  14           HA       LEU  14  19.113  -0.945  11.790
   82   1HB   LEU  14          2HB       LEU  14  19.530  -2.361  14.370
   83   2HB   LEU  14          1HB       LEU  14  19.393  -0.638  14.043
   84    HG   LEU  14           HG       LEU  14  17.122  -2.643  14.017
   85   1HD1  LEU  14          2HD1      LEU  14  17.894  -0.503  16.004
   86   2HD1  LEU  14          1HD1      LEU  14  16.309  -1.274  15.971
   87   3HD1  LEU  14          3HD1      LEU  14  17.752  -2.241  16.287
   88   1HD2  LEU  14          3HD2      LEU  14  16.871  -0.766  12.379
   89   2HD2  LEU  14          2HD2      LEU  14  15.633  -0.785  13.635
   90   3HD2  LEU  14          1HD2      LEU  14  16.967   0.365  13.730
   91    H    GLN  15           H        GLN  15  19.883  -4.272  12.692
   92    HA   GLN  15           HA       GLN  15  22.718  -3.885  12.661
   93   1HB   GLN  15          2HB       GLN  15  21.608  -5.626  14.004
   94   2HB   GLN  15          1HB       GLN  15  21.093  -6.427  12.526
   95   1HG   GLN  15          2HG       GLN  15  23.661  -6.371  11.963
   96   2HG   GLN  15          1HG       GLN  15  23.830  -6.209  13.710
   97   1HE2  GLN  15          2HD2      GLN  15  23.933  -9.783  13.273
   98   2HE2  GLN  15          1HD2      GLN  15  24.926  -8.376  13.135
   99    H    ALA  16           H        ALA  16  20.294  -4.873  10.347
  100    HA   ALA  16           HA       ALA  16  22.334  -5.553   8.352
  101   1HB   ALA  16          1HB       ALA  16  20.183  -6.914   8.806
  102   2HB   ALA  16          3HB       ALA  16  19.369  -5.638   7.897
  103   3HB   ALA  16          2HB       ALA  16  20.639  -6.597   7.130
  104    H    SER  17           H        SER  17  21.524  -2.745   9.380
  105    HA   SER  17           HA       SER  17  21.584  -1.499   6.748
  106   1HB   SER  17          2HB       SER  17  19.139  -1.839   7.580
  107   2HB   SER  17          1HB       SER  17  19.512  -0.514   8.674
  108    HG   SER  17           HG       SER  17  19.911   0.799   6.906
  109    H    ALA  18           H        ALA  18  23.318  -1.761   9.152
  110    HA   ALA  18           HA       ALA  18  23.467   1.034  10.060
  111   1HB   ALA  18          1HB       ALA  18  24.233  -1.571  11.191
  112   2HB   ALA  18          3HB       ALA  18  25.423  -0.290  11.430
  113   3HB   ALA  18          2HB       ALA  18  23.769  -0.074  12.006
  114    H    THR  19           H        THR  19  25.671  -1.539   8.955
  115    HA   THR  19           HA       THR  19  27.553   0.518   8.038
  116    HB   THR  19           HB       THR  19  28.302  -1.406   9.491
  117    HG1  THR  19           HG1      THR  19  29.638  -1.371   7.005
  118   1HG2  THR  19          3HG2      THR  19  27.158  -2.938   7.309
  119   2HG2  THR  19          2HG2      THR  19  28.864  -3.324   7.520
  120   3HG2  THR  19          1HG2      THR  19  27.749  -3.496   8.875
  121    H    GLU  20           H        GLU  20  25.056  -0.023   6.644
  122    HA   GLU  20           HA       GLU  20  25.739  -1.456   4.236
  123   1HB   GLU  20          2HB       GLU  20  23.405  -1.066   5.446
  124   2HB   GLU  20          1HB       GLU  20  23.371   0.340   4.391
  125   1HG   GLU  20          2HG       GLU  20  23.897  -1.294   2.476
  126   2HG   GLU  20          1HG       GLU  20  23.457  -2.572   3.614
  127    H    TYR  21           H        TYR  21  26.047   1.713   5.393
  128    HA   TYR  21           HA       TYR  21  26.342   2.836   2.692
  129   1HB   TYR  21          2HB       TYR  21  26.016   4.112   5.403
  130   2HB   TYR  21          1HB       TYR  21  26.463   5.024   3.971
  131    HD1  TYR  21           HD1      TYR  21  24.865   5.175   2.057
  132    HD2  TYR  21           HD2      TYR  21  23.782   3.371   5.779
  133    HE1  TYR  21           HE1      TYR  21  22.482   5.359   1.460
  134    HE2  TYR  21           HE2      TYR  21  21.403   3.559   5.171
  135    HH   TYR  21           HH       TYR  21  20.359   5.281   2.308
  136    H    ILE  22           H        ILE  22  28.153   1.860   5.474
  137    HA   ILE  22           HA       ILE  22  30.507   3.385   4.667
  138    HB   ILE  22           HB       ILE  22  29.974   1.482   6.947
  139   1HG1  ILE  22          2HG1      ILE  22  28.911   3.843   6.899
  140   2HG1  ILE  22          1HG1      ILE  22  29.780   3.368   8.368
  141   1HG2  ILE  22          3HG2      ILE  22  32.493   3.017   6.281
  142   2HG2  ILE  22          2HG2      ILE  22  32.170   2.328   7.872
  143   3HG2  ILE  22          1HG2      ILE  22  32.308   1.272   6.464
  144   1HD1  ILE  22          2HD1      ILE  22  31.720   4.594   6.734
  145   2HD1  ILE  22          1HD1      ILE  22  30.276   5.597   6.591
  146   3HD1  ILE  22          3HD1      ILE  22  30.959   5.254   8.179
  147    H    GLY  23           H        GLY  23  29.125   0.514   3.713
  148   1HA   GLY  23          2HA       GLY  23  31.449  -1.149   3.526
  149   2HA   GLY  23          1HA       GLY  23  29.897  -1.424   2.740
  150    H    TYR  24           H        TYR  24  30.166   1.448   1.663
  151    HA   TYR  24           HA       TYR  24  31.458   0.686  -0.816
  152   1HB   TYR  24          2HB       TYR  24  30.007   3.172   0.075
  153   2HB   TYR  24          1HB       TYR  24  30.727   2.996  -1.516
  154    HD1  TYR  24           HD2      TYR  24  29.997   0.929  -2.904
  155    HD2  TYR  24           HD1      TYR  24  27.786   2.433   0.440
  156    HE1  TYR  24           HE2      TYR  24  27.973  -0.215  -3.713
  157    HE2  TYR  24           HE1      TYR  24  25.777   1.284  -0.382
  158    HH   TYR  24           HH       TYR  24  24.859   0.378  -2.387
  159    H    ALA  25           H        ALA  25  32.220   2.522   2.016
  160    HA   ALA  25           HA       ALA  25  34.299   4.125   0.880
  161   1HB   ALA  25          2HB       ALA  25  33.014   4.562   3.037
  162   2HB   ALA  25          1HB       ALA  25  34.052   3.341   3.778
  163   3HB   ALA  25          3HB       ALA  25  34.761   4.807   3.097
  164    H    TRP  26           H        TRP  26  34.096   0.843   1.887
  165    HA   TRP  26           HA       TRP  26  36.829   0.436   2.584
  166   1HB   TRP  26          2HB       TRP  26  34.434  -1.177   2.295
  167   2HB   TRP  26          1HB       TRP  26  35.847  -1.989   1.645
  168    HD1  TRP  26          1HD       TRP  26  34.086  -1.426   4.843
  169    HE1  TRP  26          1HE       TRP  26  35.562  -2.103   6.806
  170    HE3  TRP  26          3HE       TRP  26  38.581  -1.897   2.441
  171    HZ2  TRP  26          2HZ       TRP  26  38.241  -2.765   7.316
  172    HZ3  TRP  26          3HZ       TRP  26  40.568  -2.564   3.735
  173    HH2  TRP  26           HH2      TRP  26  40.403  -2.994   6.151
  174    H    ALA  27           H        ALA  27  35.092   0.611  -0.408
  175    HA   ALA  27           HA       ALA  27  36.951  -0.806  -2.030
  176   1HB   ALA  27          3HB       ALA  27  34.531   0.777  -2.409
  177   2HB   ALA  27          2HB       ALA  27  35.712   1.014  -3.701
  178   3HB   ALA  27          1HB       ALA  27  35.128  -0.609  -3.324
  179    H    MET  28           H        MET  28  36.394   2.687  -1.566
  180    HA   MET  28           HA       MET  28  38.539   3.573  -3.122
  181   1HB   MET  28          2HB       MET  28  36.515   4.759  -1.593
  182   2HB   MET  28          1HB       MET  28  38.006   5.283  -0.828
  183   1HG   MET  28          2HG       MET  28  37.162   6.824  -2.598
  184   2HG   MET  28          1HG       MET  28  38.799   6.255  -2.864
  185   1HE   MET  28          3HE       MET  28  39.415   6.286  -5.035
  186   2HE   MET  28          2HE       MET  28  38.531   5.769  -6.469
  187   3HE   MET  28          1HE       MET  28  38.089   7.274  -5.666
  188    H    VAL  29           H        VAL  29  38.361   2.467   0.191
  189    HA   VAL  29           HA       VAL  29  40.913   3.401   1.024
  190    HB   VAL  29           HB       VAL  29  39.185   1.150   2.046
  191   1HG1  VAL  29          3HG1      VAL  29  41.860   1.936   2.736
  192   2HG1  VAL  29          2HG1      VAL  29  40.775   2.194   4.104
  193   3HG1  VAL  29          1HG1      VAL  29  40.893   0.599   3.358
  194   1HG2  VAL  29          1HG2      VAL  29  38.666   3.845   2.060
  195   2HG2  VAL  29          3HG2      VAL  29  37.994   2.668   3.190
  196   3HG2  VAL  29          2HG2      VAL  29  39.430   3.594   3.632
  197    H    VAL  30           H        VAL  30  39.745   0.213  -0.067
  198    HA   VAL  30           HA       VAL  30  42.082  -1.226   0.085
  199    HB   VAL  30           HB       VAL  30  39.641  -1.832  -0.679
  200   1HG1  VAL  30          3HG1      VAL  30  40.327  -0.552  -2.941
  201   2HG1  VAL  30          2HG1      VAL  30  40.824  -2.192  -3.356
  202   3HG1  VAL  30          1HG1      VAL  30  39.154  -1.869  -2.885
  203   1HG2  VAL  30          1HG2      VAL  30  42.206  -3.202  -1.417
  204   2HG2  VAL  30          3HG2      VAL  30  41.118  -3.536  -0.069
  205   3HG2  VAL  30          2HG2      VAL  30  40.632  -3.944  -1.716
  206    H    VAL  31           H        VAL  31  41.197   1.235  -2.203
  207    HA   VAL  31           HA       VAL  31  43.282   0.665  -4.079
  208    HB   VAL  31           HB       VAL  31  41.517   3.069  -3.671
  209   1HG1  VAL  31          3HG1      VAL  31  43.494   2.408  -5.832
  210   2HG1  VAL  31          2HG1      VAL  31  42.173   3.554  -6.070
  211   3HG1  VAL  31          1HG1      VAL  31  43.399   3.861  -4.838
  212   1HG2  VAL  31          1HG2      VAL  31  41.236   0.509  -5.125
  213   2HG2  VAL  31          3HG2      VAL  31  40.001   1.557  -4.424
  214   3HG2  VAL  31          2HG2      VAL  31  40.709   1.955  -5.991
  215    H    ILE  32           H        ILE  32  42.934   2.524  -1.200
  216    HA   ILE  32           HA       ILE  32  45.354   4.074  -1.620
  217    HB   ILE  32           HB       ILE  32  43.540   3.815   0.776
  218   1HG1  ILE  32          2HG1      ILE  32  43.772   5.986  -1.313
  219   2HG1  ILE  32          1HG1      ILE  32  42.464   4.812  -1.196
  220   1HG2  ILE  32          1HG2      ILE  32  45.851   4.487   1.355
  221   2HG2  ILE  32          3HG2      ILE  32  45.707   5.847   0.240
  222   3HG2  ILE  32          2HG2      ILE  32  44.669   5.760   1.664
  223   1HD1  ILE  32          1HD1      ILE  32  42.656   5.958   1.357
  224   2HD1  ILE  32          3HD1      ILE  32  42.816   7.304   0.227
  225   3HD1  ILE  32          2HD1      ILE  32  41.401   6.252   0.152
  226    H    VAL  33           H        VAL  33  44.437   1.055  -0.222
  227    HA   VAL  33           HA       VAL  33  46.625   0.787   1.588
  228    HB   VAL  33           HB       VAL  33  44.611  -1.097   0.385
  229   1HG1  VAL  33          2HG1      VAL  33  46.907  -1.705   2.212
  230   2HG1  VAL  33          1HG1      VAL  33  45.446  -2.696   2.188
  231   3HG1  VAL  33          3HG1      VAL  33  46.422  -2.526   0.728
  232   1HG2  VAL  33          1HG2      VAL  33  44.331   0.732   2.367
  233   2HG2  VAL  33          3HG2      VAL  33  43.381  -0.750   2.240
  234   3HG2  VAL  33          2HG2      VAL  33  44.797  -0.698   3.293
  235    H    GLY  34           H        GLY  34  46.097   0.268  -1.807
  236   1HA   GLY  34          2HA       GLY  34  48.282  -1.524  -2.262
  237   2HA   GLY  34          1HA       GLY  34  47.404  -0.613  -3.491
  238    H    ALA  35           H        ALA  35  47.823   1.951  -2.969
  239    HA   ALA  35           HA       ALA  35  50.328   2.582  -3.929
  240   1HB   ALA  35          2HB       ALA  35  48.322   4.118  -3.678
  241   2HB   ALA  35          1HB       ALA  35  48.819   4.345  -2.000
  242   3HB   ALA  35          3HB       ALA  35  49.891   4.840  -3.312
  243    H    THR  36           H        THR  36  49.337   1.858  -0.685
  244    HA   THR  36           HA       THR  36  51.648   2.812   0.692
  245    HB   THR  36           HB       THR  36  49.516   0.782   1.355
  246    HG1  THR  36           HG1      THR  36  48.550   2.644   1.625
  247   1HG2  THR  36          3HG2      THR  36  51.921   1.631   2.913
  248   2HG2  THR  36          2HG2      THR  36  50.420   1.256   3.761
  249   3HG2  THR  36          1HG2      THR  36  51.194   0.030   2.752
  250    H    ILE  37           H        ILE  37  50.681  -0.291  -0.701
  251    HA   ILE  37           HA       ILE  37  52.898  -1.810   0.167
  252    HB   ILE  37           HB       ILE  37  51.155  -2.118  -2.272
  253   1HG1  ILE  37          2HG1      ILE  37  50.993  -3.314   0.479
  254   2HG1  ILE  37          1HG1      ILE  37  49.870  -2.164  -0.233
  255   1HG2  ILE  37          1HG2      ILE  37  53.530  -3.488  -1.568
  256   2HG2  ILE  37          3HG2      ILE  37  52.181  -4.592  -1.296
  257   3HG2  ILE  37          2HG2      ILE  37  52.409  -3.853  -2.883
  258   1HD1  ILE  37          3HD1      ILE  37  49.755  -4.087  -2.105
  259   2HD1  ILE  37          2HD1      ILE  37  50.157  -5.082  -0.704
  260   3HD1  ILE  37          1HD1      ILE  37  48.705  -4.078  -0.687
  261    H    GLY  38           H        GLY  38  52.325   0.199  -2.666
  262   1HA   GLY  38          2HA       GLY  38  54.540  -0.432  -4.228
  263   2HA   GLY  38          1HA       GLY  38  53.754   1.148  -4.190
  264    H    ILE  39           H        ILE  39  54.263   2.374  -2.077
  265    HA   ILE  39           HA       ILE  39  56.966   3.079  -2.125
  266    HB   ILE  39           HB       ILE  39  54.951   3.520   0.075
  267   1HG1  ILE  39          2HG1      ILE  39  55.531   5.741  -1.728
  268   2HG1  ILE  39          1HG1      ILE  39  54.807   4.366  -2.552
  269   1HG2  ILE  39          3HG2      ILE  39  57.717   4.356  -0.318
  270   2HG2  ILE  39          2HG2      ILE  39  56.611   5.694  -0.004
  271   3HG2  ILE  39          1HG2      ILE  39  56.726   4.357   1.141
  272   1HD1  ILE  39          2HD1      ILE  39  53.414   4.758  -0.096
  273   2HD1  ILE  39          1HD1      ILE  39  53.526   6.314  -0.923
  274   3HD1  ILE  39          3HD1      ILE  39  52.801   4.929  -1.744
  275    H    LYS  40           H        LYS  40  55.175   1.025   0.169
  276    HA   LYS  40           HA       LYS  40  57.176   0.543   2.017
  277   1HB   LYS  40          2HB       LYS  40  54.661  -0.231   1.853
  278   2HB   LYS  40          1HB       LYS  40  55.386  -1.681   1.167
  279   1HG   LYS  40          2HG       LYS  40  55.644  -2.351   3.293
  280   2HG   LYS  40          1HG       LYS  40  56.963  -1.183   3.370
  281   1HD   LYS  40          2HD       LYS  40  54.157  -0.274   3.856
  282   2HD   LYS  40          1HD       LYS  40  55.019  -1.114   5.142
  283   1HE   LYS  40          2HE       LYS  40  55.670   1.527   3.837
  284   2HE   LYS  40          1HE       LYS  40  55.441   1.173   5.549
  285   1HZ   LYS  40          2HZ       LYS  40  57.488  -0.365   5.156
  286   2HZ   LYS  40          1HZ       LYS  40  57.781   0.690   3.857
  287   3HZ   LYS  40          3HZ       LYS  40  57.692   1.297   5.437
  288    H    LEU  41           H        LEU  41  56.560  -0.988  -1.102
  289    HA   LEU  41           HA       LEU  41  58.491  -3.041  -0.904
  290   1HB   LEU  41          2HB       LEU  41  57.076  -1.680  -3.165
  291   2HB   LEU  41          1HB       LEU  41  58.382  -2.807  -3.509
  292    HG   LEU  41           HG       LEU  41  55.870  -3.387  -1.933
  293   1HD1  LEU  41          3HD1      LEU  41  55.670  -3.177  -4.437
  294   2HD1  LEU  41          2HD1      LEU  41  56.735  -4.579  -4.560
  295   3HD1  LEU  41          1HD1      LEU  41  55.168  -4.728  -3.762
  296   1HD2  LEU  41          2HD2      LEU  41  58.405  -4.893  -2.230
  297   2HD2  LEU  41          1HD2      LEU  41  57.220  -4.908  -0.922
  298   3HD2  LEU  41          3HD2      LEU  41  56.916  -5.821  -2.400
  299    H    PHE  42           H        PHE  42  58.622   0.165  -2.435
  300    HA   PHE  42           HA       PHE  42  61.140   0.240  -3.477
  301   1HB   PHE  42          2HB       PHE  42  59.360   2.079  -3.345
  302   2HB   PHE  42          1HB       PHE  42  60.103   2.511  -1.812
  303    HD1  PHE  42           HD2      PHE  42  62.571   3.092  -1.795
  304    HD2  PHE  42           HD1      PHE  42  60.273   2.792  -5.381
  305    HE1  PHE  42           HE2      PHE  42  64.275   4.405  -2.998
  306    HE2  PHE  42           HE1      PHE  42  61.979   4.104  -6.584
  307    HZ   PHE  42           HZ       PHE  42  63.980   4.910  -5.392
  308    H    LYS  43           H        LYS  43  60.251   0.363  -0.092
  309    HA   LYS  43           HA       LYS  43  62.945   0.960   0.783
  310   1HB   LYS  43          2HB       LYS  43  60.490   0.195   2.354
  311   2HB   LYS  43          1HB       LYS  43  62.002   0.775   3.049
  312   1HG   LYS  43          2HG       LYS  43  60.736   2.444   0.922
  313   2HG   LYS  43          1HG       LYS  43  59.946   2.410   2.484
  314   1HD   LYS  43          2HD       LYS  43  61.548   3.649   3.493
  315   2HD   LYS  43          1HD       LYS  43  62.858   2.880   2.608
  316   1HE   LYS  43          2HE       LYS  43  62.139   5.427   2.203
  317   2HE   LYS  43          1HE       LYS  43  62.806   4.421   0.922
  318   1HZ   LYS  43          2HZ       LYS  43  59.901   4.448   1.375
  319   2HZ   LYS  43          1HZ       LYS  43  60.624   5.746   0.551
  320   3HZ   LYS  43          3HZ       LYS  43  60.765   4.170  -0.061
  321    H    LYS  44           H        LYS  44  60.691  -1.756   1.338
  322    HA   LYS  44           HA       LYS  44  62.431  -3.490   2.584
  323   1HB   LYS  44          2HB       LYS  44  59.836  -3.624   1.777
  324   2HB   LYS  44          1HB       LYS  44  60.570  -4.727   0.635
  325   1HG   LYS  44          2HG       LYS  44  61.520  -5.368   3.281
  326   2HG   LYS  44          1HG       LYS  44  59.759  -5.260   3.274
  327   1HD   LYS  44          2HD       LYS  44  60.570  -7.577   2.697
  328   2HD   LYS  44          1HD       LYS  44  59.663  -6.847   1.360
  329   1HE   LYS  44          2HE       LYS  44  61.701  -7.990   0.557
  330   2HE   LYS  44          1HE       LYS  44  61.804  -6.254   0.249
  331   1HZ   LYS  44          2HZ       LYS  44  62.883  -6.613   2.749
  332   2HZ   LYS  44          1HZ       LYS  44  63.470  -7.924   1.845
  333   3HZ   LYS  44          3HZ       LYS  44  63.736  -6.338   1.307
  334    H    PHE  45           H        PHE  45  62.149  -2.757  -0.848
  335    HA   PHE  45           HA       PHE  45  63.576  -4.827  -2.039
  336   1HB   PHE  45          2HB       PHE  45  63.192  -1.931  -2.613
  337   2HB   PHE  45          1HB       PHE  45  64.527  -2.745  -3.397
  338    HD1  PHE  45           HD2      PHE  45  61.030  -3.802  -2.613
  339    HD2  PHE  45           HD1      PHE  45  63.975  -3.191  -5.664
  340    HE1  PHE  45           HE2      PHE  45  59.479  -4.685  -4.297
  341    HE2  PHE  45           HE1      PHE  45  62.410  -4.074  -7.332
  342    HZ   PHE  45           HZ       PHE  45  60.165  -4.821  -6.655
  343    H    THR  46           H        THR  46  64.778  -2.000  -0.295
  344    HA   THR  46           HA       THR  46  67.536  -2.650  -0.778
  345    HB   THR  46           HB       THR  46  67.978  -0.758   0.678
  346    HG1  THR  46           HG1      THR  46  65.176  -0.609   1.068
  347   1HG2  THR  46          3HG2      THR  46  66.494  -0.685  -1.731
  348   2HG2  THR  46          2HG2      THR  46  65.860   0.588  -0.683
  349   3HG2  THR  46          1HG2      THR  46  67.578   0.548  -1.082
  350    H    SER  47           H        SER  47  65.146  -3.414   1.607
  351    HA   SER  47           HA       SER  47  67.136  -4.319   3.549
  352   1HB   SER  47          2HB       SER  47  64.119  -4.259   3.612
  353   2HB   SER  47          1HB       SER  47  65.123  -4.876   4.918
  354    HG   SER  47           HG       SER  47  64.943  -2.227   3.909
  355    H    LYS  48           H        LYS  48  66.462  -5.596   0.800
  356    HA   LYS  48           HA       LYS  48  65.235  -8.043   1.070
  357   1HB   LYS  48          2HB       LYS  48  67.340  -6.935  -0.708
  358   2HB   LYS  48          1HB       LYS  48  67.167  -8.687  -0.680
  359   1HG   LYS  48          2HG       LYS  48  64.759  -6.920  -1.063
  360   2HG   LYS  48          1HG       LYS  48  65.813  -7.305  -2.416
  361   1HD   LYS  48          2HD       LYS  48  65.253  -9.726  -1.005
  362   2HD   LYS  48          1HD       LYS  48  63.730  -8.892  -1.312
  363   1HE   LYS  48          2HE       LYS  48  64.304 -10.405  -3.156
  364   2HE   LYS  48          1HE       LYS  48  64.287  -8.727  -3.690
  365   1HZ   LYS  48          2HZ       LYS  48  66.861  -9.479  -2.758
  366   2HZ   LYS  48          1HZ       LYS  48  66.335 -10.536  -3.979
  367   3HZ   LYS  48          3HZ       LYS  48  66.403  -8.867  -4.274
  368    H    ALA  49           H        ALA  49  68.754  -7.489   1.272
  369    HA   ALA  49           HA       ALA  49  70.379  -8.518   2.514
  370   1HB   ALA  49          1HB       ALA  49  68.563  -8.195   4.330
  371   2HB   ALA  49          3HB       ALA  49  68.258  -9.919   4.112
  372   3HB   ALA  49          2HB       ALA  49  69.851  -9.364   4.629
  373    H    SER  50           H        SER  50  71.558 -10.141   1.768
  374    HA   SER  50           HA       SER  50  70.621 -12.156   0.087
  375   1HB   SER  50          2HB       SER  50  72.996 -11.360   0.321
  376   2HB   SER  50          1HB       SER  50  73.105 -12.315   1.795
  377    HG   SER  50           HG       SER  50  72.333 -13.382  -0.731
   
  No H/Q in entry =         377
  Start of MODEL    4
    1   1H    ALA   1          2H        ALA   1  60.462   7.885  21.701
    2   2H    ALA   1          1H        ALA   1  61.567   9.169  21.580
    3   3H    ALA   1          3H        ALA   1  61.466   8.272  23.015
    4    HA   ALA   1           HA       ALA   1  59.733   9.401  23.788
    5   1HB   ALA   1          2HB       ALA   1  60.523  11.243  21.508
    6   2HB   ALA   1          1HB       ALA   1  59.560  11.719  22.909
    7   3HB   ALA   1          3HB       ALA   1  61.244  11.225  23.119
    8    H    GLU   2           H        GLU   2  57.555   9.570  23.711
    9    HA   GLU   2           HA       GLU   2  55.403   9.406  22.935
   10   1HB   GLU   2          2HB       GLU   2  56.699  10.959  21.056
   11   2HB   GLU   2          1HB       GLU   2  55.978   9.674  20.089
   12   1HG   GLU   2          2HG       GLU   2  54.276  11.266  20.168
   13   2HG   GLU   2          1HG       GLU   2  53.832  10.168  21.475
   14    H    GLY   3           H        GLY   3  54.465   7.487  22.919
   15   1HA   GLY   3          2HA       GLY   3  54.988   5.589  20.793
   16   2HA   GLY   3          1HA       GLY   3  55.367   5.046  22.421
   17    H    ASP   4           H        ASP   4  52.773   7.265  22.002
   18    HA   ASP   4           HA       ASP   4  50.737   5.165  21.956
   19   1HB   ASP   4          2HB       ASP   4  51.536   5.951  24.376
   20   2HB   ASP   4          1HB       ASP   4  50.404   7.262  24.040
   21    H    ASP   5           H        ASP   5  50.466   6.162  19.840
   22    HA   ASP   5           HA       ASP   5  49.920   8.769  19.208
   23   1HB   ASP   5          2HB       ASP   5  50.017   6.968  17.555
   24   2HB   ASP   5          1HB       ASP   5  48.489   6.324  18.157
   25    HA   PRO   6           HA       PRO   6  46.178   9.205  21.730
   26   1HB   PRO   6          2HB       PRO   6  46.551  11.810  22.339
   27   2HB   PRO   6          1HB       PRO   6  47.346  10.488  23.206
   28   1HG   PRO   6          2HG       PRO   6  48.480  12.434  21.334
   29   2HG   PRO   6          1HG       PRO   6  49.291  11.430  22.546
   30   1HD   PRO   6          2HD       PRO   6  49.122  10.994  19.716
   31   2HD   PRO   6          1HD       PRO   6  49.940   9.996  20.933
   32    H    ALA   7           H        ALA   7  46.781   9.939  18.683
   33    HA   ALA   7           HA       ALA   7  44.775  12.033  18.312
   34   1HB   ALA   7          2HB       ALA   7  46.862  12.173  17.032
   35   2HB   ALA   7          1HB       ALA   7  46.521  10.602  16.301
   36   3HB   ALA   7          3HB       ALA   7  45.472  11.980  15.962
   37    H    LYS   8           H        LYS   8  44.201   9.174  19.184
   38    HA   LYS   8           HA       LYS   8  42.918   7.784  17.093
   39   1HB   LYS   8          2HB       LYS   8  42.700   7.752  20.088
   40   2HB   LYS   8          1HB       LYS   8  41.595   6.806  19.098
   41   1HG   LYS   8          2HG       LYS   8  44.622   6.607  19.144
   42   2HG   LYS   8          1HG       LYS   8  43.496   5.393  19.750
   43   1HD   LYS   8          2HD       LYS   8  44.122   6.159  16.900
   44   2HD   LYS   8          1HD       LYS   8  44.136   4.566  17.643
   45   1HE   LYS   8          2HE       LYS   8  41.714   6.214  16.862
   46   2HE   LYS   8          1HE       LYS   8  42.232   4.672  16.183
   47   1HZ   LYS   8          1HZ       LYS   8  41.611   4.865  19.055
   48   2HZ   LYS   8          3HZ       LYS   8  40.352   4.731  17.928
   49   3HZ   LYS   8          2HZ       LYS   8  41.537   3.518  18.024
   50    H    ALA   9           H        ALA   9  41.944  10.437  19.125
   51    HA   ALA   9           HA       ALA   9  39.162  10.324  18.836
   52   1HB   ALA   9          1HB       ALA   9  40.960  12.039  20.031
   53   2HB   ALA   9          3HB       ALA   9  40.260  13.032  18.751
   54   3HB   ALA   9          2HB       ALA   9  39.212  12.275  19.954
   55    H    ALA  10           H        ALA  10  41.635  11.834  16.796
   56    HA   ALA  10           HA       ALA  10  39.993  13.096  14.933
   57   1HB   ALA  10          1HB       ALA  10  42.743  12.539  15.215
   58   2HB   ALA  10          3HB       ALA  10  42.274  11.948  13.619
   59   3HB   ALA  10          2HB       ALA  10  41.977  13.632  14.060
   60    H    PHE  11           H        PHE  11  41.141   9.753  15.049
   61    HA   PHE  11           HA       PHE  11  40.018   8.971  12.544
   62   1HB   PHE  11          2HB       PHE  11  41.870   7.776  13.667
   63   2HB   PHE  11          1HB       PHE  11  40.760   7.274  14.928
   64    HD1  PHE  11           HD2      PHE  11  41.254   7.123  11.229
   65    HD2  PHE  11           HD1      PHE  11  39.564   5.240  14.688
   66    HE1  PHE  11           HE2      PHE  11  40.630   5.167   9.874
   67    HE2  PHE  11           HE1      PHE  11  38.947   3.297  13.318
   68    HZ   PHE  11           HZ       PHE  11  39.478   3.256  10.914
   69    H    ASN  12           H        ASN  12  38.983   8.625  15.913
   70    HA   ASN  12           HA       ASN  12  36.568   7.240  15.354
   71   1HB   ASN  12          2HB       ASN  12  37.907   7.577  17.589
   72   2HB   ASN  12          1HB       ASN  12  36.858   8.985  17.762
   73   1HD2  ASN  12          2HD2      ASN  12  35.296   5.903  19.258
   74   2HD2  ASN  12          1HD2      ASN  12  36.848   6.646  19.415
   75    H    SER  13           H        SER  13  37.360  10.659  15.740
   76    HA   SER  13           HA       SER  13  34.762  11.715  15.804
   77   1HB   SER  13          2HB       SER  13  37.180  12.837  15.999
   78   2HB   SER  13          1HB       SER  13  36.847  13.212  14.307
   79    HG   SER  13           HG       SER  13  35.806  14.326  16.549
   80    H    LEU  14           H        LEU  14  36.670  10.478  13.177
   81    HA   LEU  14           HA       LEU  14  35.163  11.666  11.069
   82   1HB   LEU  14          2HB       LEU  14  37.420  10.947  10.649
   83   2HB   LEU  14          1HB       LEU  14  37.035   9.305  11.150
   84    HG   LEU  14           HG       LEU  14  35.495   9.063   9.255
   85   1HD1  LEU  14          3HD1      LEU  14  36.265  11.921   8.708
   86   2HD1  LEU  14          2HD1      LEU  14  35.723  10.862   7.408
   87   3HD1  LEU  14          1HD1      LEU  14  34.656  11.194   8.772
   88   1HD2  LEU  14          1HD2      LEU  14  38.323   9.889   8.586
   89   2HD2  LEU  14          3HD2      LEU  14  37.674   8.257   8.774
   90   3HD2  LEU  14          2HD2      LEU  14  37.216   9.236   7.379
   91    H    GLN  15           H        GLN  15  35.038   8.582  12.772
   92    HA   GLN  15           HA       GLN  15  33.011   7.449  11.081
   93   1HB   GLN  15          2HB       GLN  15  34.634   6.075  12.320
   94   2HB   GLN  15          1HB       GLN  15  33.929   6.623  13.837
   95   1HG   GLN  15          2HG       GLN  15  31.696   5.720  12.796
   96   2HG   GLN  15          1HG       GLN  15  32.779   4.782  11.768
   97   1HE2  GLN  15          2HD2      GLN  15  33.590   2.478  14.228
   98   2HE2  GLN  15          1HD2      GLN  15  33.701   2.992  12.584
   99    H    ALA  16           H        ALA  16  33.072   9.298  14.043
  100    HA   ALA  16           HA       ALA  16  30.243   8.856  14.577
  101   1HB   ALA  16          1HB       ALA  16  32.021   9.053  16.370
  102   2HB   ALA  16          3HB       ALA  16  32.088  10.774  15.986
  103   3HB   ALA  16          2HB       ALA  16  30.590  10.063  16.590
  104    H    SER  17           H        SER  17  31.432  10.449  12.180
  105    HA   SER  17           HA       SER  17  29.551  12.695  12.441
  106   1HB   SER  17          2HB       SER  17  32.459  12.818  11.986
  107   2HB   SER  17          1HB       SER  17  31.491  13.790  10.884
  108    HG   SER  17           HG       SER  17  30.580  14.826  12.678
  109    H    ALA  18           H        ALA  18  31.719  11.031  10.157
  110    HA   ALA  18           HA       ALA  18  29.716  11.386   8.035
  111   1HB   ALA  18          2HB       ALA  18  32.643  10.678   7.992
  112   2HB   ALA  18          1HB       ALA  18  31.609  10.574   6.566
  113   3HB   ALA  18          3HB       ALA  18  31.867  12.130   7.356
  114    H    THR  19           H        THR  19  28.580   9.693   9.482
  115    HA   THR  19           HA       THR  19  29.452   6.987   9.379
  116    HB   THR  19           HB       THR  19  27.031   6.498   9.962
  117    HG1  THR  19           HG1      THR  19  25.642   8.087   9.954
  118   1HG2  THR  19          2HG2      THR  19  28.795   8.296  11.604
  119   2HG2  THR  19          1HG2      THR  19  27.201   7.834  12.197
  120   3HG2  THR  19          3HG2      THR  19  28.403   6.591  11.849
  121    H    GLU  20           H        GLU  20  28.168   9.004   7.007
  122    HA   GLU  20           HA       GLU  20  26.834   6.937   5.486
  123   1HB   GLU  20          2HB       GLU  20  26.912   9.764   5.509
  124   2HB   GLU  20          1HB       GLU  20  27.480   9.247   3.928
  125   1HG   GLU  20          2HG       GLU  20  24.996   9.599   4.066
  126   2HG   GLU  20          1HG       GLU  20  25.472   7.988   3.530
  127    H    TYR  21           H        TYR  21  29.975   7.482   6.143
  128    HA   TYR  21           HA       TYR  21  30.965   6.838   3.443
  129   1HB   TYR  21          2HB       TYR  21  32.094   8.199   5.822
  130   2HB   TYR  21          1HB       TYR  21  33.189   7.270   4.808
  131    HD1  TYR  21           HD1      TYR  21  30.678   9.996   4.782
  132    HD2  TYR  21           HD2      TYR  21  33.960   8.183   2.723
  133    HE1  TYR  21           HE1      TYR  21  30.749  11.892   3.210
  134    HE2  TYR  21           HE2      TYR  21  34.021  10.084   1.163
  135    HH   TYR  21           HH       TYR  21  32.068  12.940   1.646
  136    H    ILE  22           H        ILE  22  29.805   4.999   5.693
  137    HA   ILE  22           HA       ILE  22  32.099   3.367   6.314
  138    HB   ILE  22           HB       ILE  22  29.144   3.109   6.834
  139   1HG1  ILE  22          2HG1      ILE  22  30.629   4.692   8.189
  140   2HG1  ILE  22          1HG1      ILE  22  29.625   3.548   9.096
  141   1HG2  ILE  22          2HG2      ILE  22  30.132   0.840   6.408
  142   2HG2  ILE  22          1HG2      ILE  22  31.259   1.128   7.733
  143   3HG2  ILE  22          3HG2      ILE  22  29.525   1.028   8.051
  144   1HD1  ILE  22          3HD1      ILE  22  32.044   2.186   8.713
  145   2HD1  ILE  22          2HD1      ILE  22  32.513   3.845   9.090
  146   3HD1  ILE  22          1HD1      ILE  22  31.474   2.949  10.195
  147    H    GLY  23           H        GLY  23  29.298   3.096   4.155
  148   1HA   GLY  23          2HA       GLY  23  30.299   0.559   3.113
  149   2HA   GLY  23          1HA       GLY  23  28.775   1.332   2.689
  150    H    TYR  24           H        TYR  24  31.136   3.676   2.465
  151    HA   TYR  24           HA       TYR  24  31.632   3.036  -0.374
  152   1HB   TYR  24          2HB       TYR  24  31.371   5.867   0.528
  153   2HB   TYR  24          1HB       TYR  24  31.121   5.173  -1.063
  154    HD1  TYR  24           HD1      TYR  24  29.242   3.101  -0.817
  155    HD2  TYR  24           HD2      TYR  24  29.373   6.764   1.387
  156    HE1  TYR  24           HE1      TYR  24  26.823   2.942  -0.390
  157    HE2  TYR  24           HE2      TYR  24  26.962   6.590   1.807
  158    HH   TYR  24           HH       TYR  24  25.112   3.756   0.867
  159    H    ALA  25           H        ALA  25  32.869   4.732   2.499
  160    HA   ALA  25           HA       ALA  25  35.317   5.550   1.334
  161   1HB   ALA  25          1HB       ALA  25  34.280   6.396   3.489
  162   2HB   ALA  25          3HB       ALA  25  34.888   4.926   4.251
  163   3HB   ALA  25          2HB       ALA  25  36.015   6.081   3.538
  164    H    TRP  26           H        TRP  26  34.181   2.478   2.319
  165    HA   TRP  26           HA       TRP  26  36.744   1.329   2.938
  166   1HB   TRP  26          2HB       TRP  26  33.975   0.502   2.998
  167   2HB   TRP  26          1HB       TRP  26  34.982  -0.728   2.249
  168    HD1  TRP  26          1HD       TRP  26  34.348   1.004   5.603
  169    HE1  TRP  26          1HE       TRP  26  35.605  -0.278   7.419
  170    HE3  TRP  26          3HE       TRP  26  37.078  -2.207   2.699
  171    HZ2  TRP  26          2HZ       TRP  26  37.485  -2.349   7.640
  172    HZ3  TRP  26          3HZ       TRP  26  38.594  -3.816   3.781
  173    HH2  TRP  26           HH2      TRP  26  38.798  -3.889   6.230
  174    H    ALA  27           H        ALA  27  34.774   1.760   0.097
  175    HA   ALA  27           HA       ALA  27  36.087  -0.155  -1.561
  176   1HB   ALA  27          1HB       ALA  27  34.028   1.875  -1.842
  177   2HB   ALA  27          3HB       ALA  27  35.108   1.839  -3.237
  178   3HB   ALA  27          2HB       ALA  27  34.256   0.374  -2.742
  179    H    MET  28           H        MET  28  36.819   3.067  -0.532
  180    HA   MET  28           HA       MET  28  38.774   3.564  -2.613
  181   1HB   MET  28          2HB       MET  28  37.515   5.077  -0.445
  182   2HB   MET  28          1HB       MET  28  39.228   5.408  -0.607
  183   1HG   MET  28          2HG       MET  28  37.095   5.722  -2.727
  184   2HG   MET  28          1HG       MET  28  38.011   6.994  -1.939
  185   1HE   MET  28          3HE       MET  28  39.641   8.057  -2.648
  186   2HE   MET  28          2HE       MET  28  41.156   7.161  -2.772
  187   3HE   MET  28          1HE       MET  28  40.452   7.894  -4.213
  188    H    VAL  29           H        VAL  29  38.728   2.594   0.772
  189    HA   VAL  29           HA       VAL  29  41.448   2.805   1.355
  190    HB   VAL  29           HB       VAL  29  39.349   0.879   2.344
  191   1HG1  VAL  29          2HG1      VAL  29  41.610  -0.033   2.697
  192   2HG1  VAL  29          1HG1      VAL  29  42.059   1.449   3.542
  193   3HG1  VAL  29          3HG1      VAL  29  40.815   0.393   4.214
  194   1HG2  VAL  29          2HG2      VAL  29  39.251   3.471   2.695
  195   2HG2  VAL  29          1HG2      VAL  29  38.915   2.383   4.044
  196   3HG2  VAL  29          3HG2      VAL  29  40.495   3.155   3.906
  197    H    VAL  30           H        VAL  30  39.640   0.324  -0.360
  198    HA   VAL  30           HA       VAL  30  41.639  -1.663  -0.422
  199    HB   VAL  30           HB       VAL  30  39.357  -1.066  -2.301
  200   1HG1  VAL  30          3HG1      VAL  30  41.464  -3.063  -2.385
  201   2HG1  VAL  30          2HG1      VAL  30  39.848  -3.770  -2.393
  202   3HG1  VAL  30          1HG1      VAL  30  40.302  -2.590  -3.624
  203   1HG2  VAL  30          2HG2      VAL  30  38.729  -1.510   0.061
  204   2HG2  VAL  30          1HG2      VAL  30  38.133  -2.736  -1.060
  205   3HG2  VAL  30          3HG2      VAL  30  39.542  -3.073  -0.052
  206    H    VAL  31           H        VAL  31  40.930   1.113  -2.474
  207    HA   VAL  31           HA       VAL  31  42.845   0.427  -4.487
  208    HB   VAL  31           HB       VAL  31  41.291   2.932  -3.885
  209   1HG1  VAL  31          3HG1      VAL  31  43.401   2.394  -5.882
  210   2HG1  VAL  31          2HG1      VAL  31  41.966   3.251  -6.450
  211   3HG1  VAL  31          1HG1      VAL  31  42.918   3.907  -5.117
  212   1HG2  VAL  31          3HG2      VAL  31  40.931   0.631  -5.789
  213   2HG2  VAL  31          2HG2      VAL  31  39.791   1.273  -4.602
  214   3HG2  VAL  31          1HG2      VAL  31  40.154   2.192  -6.066
  215    H    ILE  32           H        ILE  32  42.982   1.955  -1.434
  216    HA   ILE  32           HA       ILE  32  45.497   3.329  -2.041
  217    HB   ILE  32           HB       ILE  32  43.819   3.286   0.462
  218   1HG1  ILE  32          2HG1      ILE  32  44.123   5.318  -1.753
  219   2HG1  ILE  32          1HG1      ILE  32  42.673   4.408  -1.338
  220   1HG2  ILE  32          1HG2      ILE  32  46.525   4.043   0.094
  221   2HG2  ILE  32          3HG2      ILE  32  45.586   5.525   0.292
  222   3HG2  ILE  32          2HG2      ILE  32  45.516   4.265   1.525
  223   1HD1  ILE  32          3HD1      ILE  32  44.038   6.448   0.433
  224   2HD1  ILE  32          2HD1      ILE  32  42.551   6.708  -0.482
  225   3HD1  ILE  32          1HD1      ILE  32  42.581   5.541   0.843
  226    H    VAL  33           H        VAL  33  44.286   0.531  -0.302
  227    HA   VAL  33           HA       VAL  33  46.473   0.009   1.349
  228    HB   VAL  33           HB       VAL  33  44.433  -1.777   0.038
  229   1HG1  VAL  33          2HG1      VAL  33  46.495  -2.431   2.126
  230   2HG1  VAL  33          1HG1      VAL  33  45.076  -3.427   1.800
  231   3HG1  VAL  33          3HG1      VAL  33  46.286  -3.178   0.543
  232   1HG2  VAL  33          2HG2      VAL  33  44.141   0.091   2.024
  233   2HG2  VAL  33          1HG2      VAL  33  43.080  -1.295   1.763
  234   3HG2  VAL  33          3HG2      VAL  33  44.393  -1.397   2.938
  235    H    GLY  34           H        GLY  34  45.905  -0.621  -2.057
  236   1HA   GLY  34          2HA       GLY  34  48.132  -2.399  -2.412
  237   2HA   GLY  34          1HA       GLY  34  47.208  -1.608  -3.692
  238    H    ALA  35           H        ALA  35  47.556   1.006  -3.341
  239    HA   ALA  35           HA       ALA  35  49.999   1.656  -4.424
  240   1HB   ALA  35          3HB       ALA  35  47.771   3.068  -3.689
  241   2HB   ALA  35          2HB       ALA  35  48.984   3.698  -2.571
  242   3HB   ALA  35          1HB       ALA  35  49.257   3.787  -4.312
  243    H    THR  36           H        THR  36  49.150   1.136  -1.094
  244    HA   THR  36           HA       THR  36  51.454   2.217   0.156
  245    HB   THR  36           HB       THR  36  49.508   0.055   0.964
  246    HG1  THR  36           HG1      THR  36  48.789   1.798   2.348
  247   1HG2  THR  36          1HG2      THR  36  51.819   1.252   2.457
  248   2HG2  THR  36          3HG2      THR  36  50.404   0.632   3.310
  249   3HG2  THR  36          2HG2      THR  36  51.361  -0.446   2.290
  250    H    ILE  37           H        ILE  37  50.628  -1.009  -1.044
  251    HA   ILE  37           HA       ILE  37  52.968  -2.343  -0.217
  252    HB   ILE  37           HB       ILE  37  51.086  -2.858  -2.512
  253   1HG1  ILE  37          2HG1      ILE  37  51.284  -3.983   0.265
  254   2HG1  ILE  37          1HG1      ILE  37  49.995  -2.974  -0.377
  255   1HG2  ILE  37          2HG2      ILE  37  53.299  -3.916  -2.882
  256   2HG2  ILE  37          1HG2      ILE  37  53.114  -4.759  -1.343
  257   3HG2  ILE  37          3HG2      ILE  37  51.993  -5.084  -2.665
  258   1HD1  ILE  37          3HD1      ILE  37  49.442  -4.763  -2.002
  259   2HD1  ILE  37          2HD1      ILE  37  50.694  -5.777  -1.281
  260   3HD1  ILE  37          1HD1      ILE  37  49.282  -5.307  -0.331
  261    H    GLY  38           H        GLY  38  52.300  -0.207  -2.867
  262   1HA   GLY  38          2HA       GLY  38  54.482  -0.902  -4.553
  263   2HA   GLY  38          1HA       GLY  38  53.582   0.613  -4.587
  264    H    ILE  39           H        ILE  39  54.021   1.903  -2.436
  265    HA   ILE  39           HA       ILE  39  56.654   2.855  -2.611
  266    HB   ILE  39           HB       ILE  39  54.661   3.205  -0.379
  267   1HG1  ILE  39          2HG1      ILE  39  55.007   5.385  -2.299
  268   2HG1  ILE  39          1HG1      ILE  39  54.363   3.919  -3.024
  269   1HG2  ILE  39          1HG2      ILE  39  57.302   3.919  -0.425
  270   2HG2  ILE  39          3HG2      ILE  39  56.501   5.380  -0.996
  271   3HG2  ILE  39          2HG2      ILE  39  56.050   4.680   0.559
  272   1HD1  ILE  39          1HD1      ILE  39  53.156   4.707  -0.442
  273   2HD1  ILE  39          3HD1      ILE  39  52.825   5.776  -1.807
  274   3HD1  ILE  39          2HD1      ILE  39  52.392   4.067  -1.899
  275    H    LYS  40           H        LYS  40  55.110   0.702  -0.242
  276    HA   LYS  40           HA       LYS  40  57.191   0.493   1.584
  277   1HB   LYS  40          2HB       LYS  40  54.739  -0.491   1.514
  278   2HB   LYS  40          1HB       LYS  40  55.575  -1.911   0.899
  279   1HG   LYS  40          2HG       LYS  40  55.960  -2.437   3.041
  280   2HG   LYS  40          1HG       LYS  40  57.120  -1.111   3.056
  281   1HD   LYS  40          2HD       LYS  40  54.224  -0.534   3.506
  282   2HD   LYS  40          1HD       LYS  40  55.171  -1.209   4.827
  283   1HE   LYS  40          2HE       LYS  40  55.486   1.440   3.425
  284   2HE   LYS  40          1HE       LYS  40  55.331   1.118   5.152
  285   1HZ   LYS  40          2HZ       LYS  40  57.545  -0.117   4.854
  286   2HZ   LYS  40          1HZ       LYS  40  57.686   0.786   3.422
  287   3HZ   LYS  40          3HZ       LYS  40  57.553   1.581   4.913
  288    H    LEU  41           H        LEU  41  56.608  -1.273  -1.419
  289    HA   LEU  41           HA       LEU  41  58.593  -3.215  -1.230
  290   1HB   LEU  41          2HB       LEU  41  57.197  -1.839  -3.470
  291   2HB   LEU  41          1HB       LEU  41  58.610  -2.812  -3.856
  292    HG   LEU  41           HG       LEU  41  56.124  -3.731  -2.403
  293   1HD1  LEU  41          3HD1      LEU  41  57.005  -3.805  -5.202
  294   2HD1  LEU  41          2HD1      LEU  41  56.418  -5.346  -4.576
  295   3HD1  LEU  41          1HD1      LEU  41  55.383  -3.917  -4.518
  296   1HD2  LEU  41          3HD2      LEU  41  58.807  -4.941  -2.648
  297   2HD2  LEU  41          2HD2      LEU  41  57.544  -5.208  -1.444
  298   3HD2  LEU  41          1HD2      LEU  41  57.454  -6.012  -3.011
  299    H    PHE  42           H        PHE  42  58.845   0.186  -1.831
  300    HA   PHE  42           HA       PHE  42  61.530   0.091  -2.895
  301   1HB   PHE  42          2HB       PHE  42  59.991   1.857  -3.564
  302   2HB   PHE  42          1HB       PHE  42  59.848   2.389  -1.895
  303    HD1  PHE  42           HD2      PHE  42  62.236   2.004  -4.708
  304    HD2  PHE  42           HD1      PHE  42  61.395   3.907  -0.980
  305    HE1  PHE  42           HE2      PHE  42  64.161   3.506  -5.040
  306    HE2  PHE  42           HE1      PHE  42  63.321   5.409  -1.313
  307    HZ   PHE  42           HZ       PHE  42  64.704   5.208  -3.344
  308    H    LYS  43           H        LYS  43  60.068   1.320   0.113
  309    HA   LYS  43           HA       LYS  43  62.451   1.948   1.435
  310   1HB   LYS  43          2HB       LYS  43  59.714   1.232   2.434
  311   2HB   LYS  43          1HB       LYS  43  61.011   1.817   3.481
  312   1HG   LYS  43          2HG       LYS  43  60.707   3.420   1.065
  313   2HG   LYS  43          1HG       LYS  43  59.237   3.368   2.014
  314   1HD   LYS  43          2HD       LYS  43  60.432   4.155   4.004
  315   2HD   LYS  43          1HD       LYS  43  61.953   4.123   3.119
  316   1HE   LYS  43          2HE       LYS  43  59.862   6.169   3.190
  317   2HE   LYS  43          1HE       LYS  43  61.561   6.303   2.739
  318   1HZ   LYS  43          1HZ       LYS  43  60.946   5.301   0.568
  319   2HZ   LYS  43          3HZ       LYS  43  59.314   5.404   1.018
  320   3HZ   LYS  43          2HZ       LYS  43  60.239   6.819   0.851
  321    H    LYS  44           H        LYS  44  61.082  -1.123   0.744
  322    HA   LYS  44           HA       LYS  44  62.264  -2.486   3.005
  323   1HB   LYS  44          2HB       LYS  44  60.172  -3.034   1.279
  324   2HB   LYS  44          1HB       LYS  44  61.424  -4.144   0.742
  325   1HG   LYS  44          2HG       LYS  44  60.525  -3.927   3.627
  326   2HG   LYS  44          1HG       LYS  44  59.837  -5.052   2.467
  327   1HD   LYS  44          2HD       LYS  44  62.589  -5.430   2.193
  328   2HD   LYS  44          1HD       LYS  44  62.374  -5.222   3.930
  329   1HE   LYS  44          2HE       LYS  44  62.202  -7.629   2.909
  330   2HE   LYS  44          1HE       LYS  44  61.068  -7.129   4.161
  331   1HZ   LYS  44          1HZ       LYS  44  60.335  -6.641   1.368
  332   2HZ   LYS  44          3HZ       LYS  44  60.279  -8.239   1.933
  333   3HZ   LYS  44          2HZ       LYS  44  59.354  -7.037   2.698
  334    H    PHE  45           H        PHE  45  62.895  -2.215  -0.476
  335    HA   PHE  45           HA       PHE  45  65.194  -3.947  -0.426
  336   1HB   PHE  45          2HB       PHE  45  63.807  -2.229  -2.413
  337   2HB   PHE  45          1HB       PHE  45  65.489  -2.615  -2.706
  338    HD1  PHE  45           HD2      PHE  45  66.210  -5.039  -2.843
  339    HD2  PHE  45           HD1      PHE  45  62.084  -3.868  -2.794
  340    HE1  PHE  45           HE2      PHE  45  65.563  -7.237  -3.730
  341    HE2  PHE  45           HE1      PHE  45  61.460  -6.073  -3.679
  342    HZ   PHE  45           HZ       PHE  45  63.194  -7.757  -4.148
  343    H    THR  46           H        THR  46  64.599  -0.521  -0.119
  344    HA   THR  46           HA       THR  46  67.387   0.182  -0.396
  345    HB   THR  46           HB       THR  46  66.614   2.433  -0.062
  346    HG1  THR  46           HG1      THR  46  64.022   1.403   0.395
  347   1HG2  THR  46          1HG2      THR  46  65.661   0.678  -2.083
  348   2HG2  THR  46          3HG2      THR  46  64.372   1.826  -1.709
  349   3HG2  THR  46          2HG2      THR  46  65.965   2.414  -2.195
  350    H    SER  47           H        SER  47  65.435  -0.985   2.114
  351    HA   SER  47           HA       SER  47  66.823   0.413   4.253
  352   1HB   SER  47          2HB       SER  47  64.603  -1.584   4.099
  353   2HB   SER  47          1HB       SER  47  65.471  -1.371   5.616
  354    HG   SER  47           HG       SER  47  65.012   0.983   5.214
  355    H    LYS  48           H        LYS  48  66.802  -2.732   2.697
  356    HA   LYS  48           HA       LYS  48  68.223  -4.323   4.395
  357   1HB   LYS  48          2HB       LYS  48  68.487  -4.104   1.398
  358   2HB   LYS  48          1HB       LYS  48  69.121  -5.437   2.358
  359   1HG   LYS  48          2HG       LYS  48  66.279  -4.816   2.835
  360   2HG   LYS  48          1HG       LYS  48  66.646  -5.393   1.212
  361   1HD   LYS  48          2HD       LYS  48  67.643  -7.401   2.075
  362   2HD   LYS  48          1HD       LYS  48  67.553  -6.797   3.728
  363   1HE   LYS  48          2HE       LYS  48  65.213  -7.478   1.938
  364   2HE   LYS  48          1HE       LYS  48  65.771  -8.409   3.325
  365   1HZ   LYS  48          3HZ       LYS  48  65.381  -6.233   4.599
  366   2HZ   LYS  48          2HZ       LYS  48  64.421  -5.791   3.269
  367   3HZ   LYS  48          1HZ       LYS  48  64.037  -7.176   4.175
  368    H    ALA  49           H        ALA  49  69.427  -1.684   2.440
  369    HA   ALA  49           HA       ALA  49  72.075  -2.005   2.230
  370   1HB   ALA  49          1HB       ALA  49  70.552   0.445   3.076
  371   2HB   ALA  49          3HB       ALA  49  72.284   0.481   2.739
  372   3HB   ALA  49          2HB       ALA  49  71.146   0.025   1.468
  373    H    SER  50           H        SER  50  70.679  -0.485   5.139
  374    HA   SER  50           HA       SER  50  73.055  -0.572   6.652
  375   1HB   SER  50          2HB       SER  50  70.365  -0.645   7.951
  376   2HB   SER  50          1HB       SER  50  71.798   0.272   8.403
  377    HG   SER  50           HG       SER  50  71.306   1.775   6.925
   
  No H/Q in entry =         377
  Start of MODEL    5
    1   1H    ALA   1          2H        ALA   1  27.573 -18.310  21.518
    2   2H    ALA   1          1H        ALA   1  26.814 -19.816  21.718
    3   3H    ALA   1          3H        ALA   1  28.417 -19.742  21.165
    4    HA   ALA   1           HA       ALA   1  27.853 -19.275  19.067
    5   1HB   ALA   1          3HB       ALA   1  25.296 -20.429  20.215
    6   2HB   ALA   1          2HB       ALA   1  25.563 -20.216  18.484
    7   3HB   ALA   1          1HB       ALA   1  26.600 -21.306  19.411
    8    H    GLU   2           H        GLU   2  27.181 -17.708  17.713
    9    HA   GLU   2           HA       GLU   2  26.353 -15.243  18.596
   10   1HB   GLU   2          2HB       GLU   2  26.358 -16.607  15.956
   11   2HB   GLU   2          1HB       GLU   2  25.453 -15.101  16.098
   12   1HG   GLU   2          2HG       GLU   2  27.391 -13.883  16.734
   13   2HG   GLU   2          1HG       GLU   2  28.315 -15.360  17.014
   14    H    GLY   3           H        GLY   3  24.550 -14.734  19.650
   15   1HA   GLY   3          2HA       GLY   3  22.129 -16.250  19.455
   16   2HA   GLY   3          1HA       GLY   3  22.363 -14.768  20.379
   17    H    ASP   4           H        ASP   4  20.149 -15.607  18.590
   18    HA   ASP   4           HA       ASP   4  20.340 -13.794  16.316
   19   1HB   ASP   4          2HB       ASP   4  19.144 -16.175  16.534
   20   2HB   ASP   4          1HB       ASP   4  17.787 -15.144  16.992
   21    H    ASP   5           H        ASP   5  18.225 -14.231  19.128
   22    HA   ASP   5           HA       ASP   5  16.977 -12.756  20.356
   23   1HB   ASP   5          2HB       ASP   5  19.248 -11.554  20.313
   24   2HB   ASP   5          1HB       ASP   5  18.527 -10.518  19.082
   25    HA   PRO   6           HA       PRO   6  13.939 -11.477  17.374
   26   1HB   PRO   6          2HB       PRO   6  11.977 -10.809  19.109
   27   2HB   PRO   6          1HB       PRO   6  12.426 -12.483  18.752
   28   1HG   PRO   6          2HG       PRO   6  12.917 -10.894  21.171
   29   2HG   PRO   6          1HG       PRO   6  12.866 -12.651  20.965
   30   1HD   PRO   6          2HD       PRO   6  15.174 -10.985  21.156
   31   2HD   PRO   6          1HD       PRO   6  15.114 -12.735  20.874
   32    H    ALA   7           H        ALA   7  15.055  -9.400  19.944
   33    HA   ALA   7           HA       ALA   7  13.687  -7.030  19.126
   34   1HB   ALA   7          2HB       ALA   7  15.054  -7.756  21.360
   35   2HB   ALA   7          1HB       ALA   7  16.241  -6.721  20.563
   36   3HB   ALA   7          3HB       ALA   7  14.640  -6.089  20.950
   37    H    LYS   8           H        LYS   8  17.099  -8.036  18.830
   38    HA   LYS   8           HA       LYS   8  17.828  -5.880  17.122
   39   1HB   LYS   8          2HB       LYS   8  19.211  -8.548  17.388
   40   2HB   LYS   8          1HB       LYS   8  19.908  -7.017  16.899
   41   1HG   LYS   8          2HG       LYS   8  19.964  -6.174  19.067
   42   2HG   LYS   8          1HG       LYS   8  18.652  -7.219  19.602
   43   1HD   LYS   8          2HD       LYS   8  21.110  -7.713  20.375
   44   2HD   LYS   8          1HD       LYS   8  20.023  -9.033  19.974
   45   1HE   LYS   8          2HE       LYS   8  22.424  -9.126  19.040
   46   2HE   LYS   8          1HE       LYS   8  21.103  -9.461  17.922
   47   1HZ   LYS   8          2HZ       LYS   8  21.723  -6.679  18.025
   48   2HZ   LYS   8          1HZ       LYS   8  23.089  -7.600  17.612
   49   3HZ   LYS   8          3HZ       LYS   8  21.675  -7.726  16.687
   50    H    ALA   9           H        ALA   9  16.474  -9.030  16.617
   51    HA   ALA   9           HA       ALA   9  17.098  -9.827  14.122
   52   1HB   ALA   9          1HB       ALA   9  15.324 -10.773  15.680
   53   2HB   ALA   9          3HB       ALA   9  14.212  -9.610  14.954
   54   3HB   ALA   9          2HB       ALA   9  14.972 -10.850  13.952
   55    H    ALA  10           H        ALA  10  14.283  -7.676  14.576
   56    HA   ALA  10           HA       ALA  10  14.021  -6.968  11.879
   57   1HB   ALA  10          3HB       ALA  10  12.581  -6.488  14.138
   58   2HB   ALA  10          2HB       ALA  10  13.261  -4.890  13.821
   59   3HB   ALA  10          1HB       ALA  10  12.292  -5.698  12.587
   60    H    PHE  11           H        PHE  11  15.584  -5.169  14.530
   61    HA   PHE  11           HA       PHE  11  16.471  -2.953  13.128
   62   1HB   PHE  11          2HB       PHE  11  16.705  -3.708  15.656
   63   2HB   PHE  11          1HB       PHE  11  18.300  -4.205  15.118
   64    HD1  PHE  11           HD1      PHE  11  15.975  -1.283  15.047
   65    HD2  PHE  11           HD2      PHE  11  20.050  -2.605  15.078
   66    HE1  PHE  11           HE1      PHE  11  16.739   1.046  15.258
   67    HE2  PHE  11           HE2      PHE  11  20.795  -0.273  15.290
   68    HZ   PHE  11           HZ       PHE  11  19.145   1.552  15.382
   69    H    ASN  12           H        ASN  12  17.834  -6.188  13.280
   70    HA   ASN  12           HA       ASN  12  20.258  -5.556  11.891
   71   1HB   ASN  12          2HB       ASN  12  19.621  -7.602  13.427
   72   2HB   ASN  12          1HB       ASN  12  19.100  -8.310  11.897
   73   1HD2  ASN  12          2HD2      ASN  12  22.314  -9.104  10.889
   74   2HD2  ASN  12          1HD2      ASN  12  20.605  -9.317  10.744
   75    H    SER  13           H        SER  13  17.093  -6.808  10.965
   76    HA   SER  13           HA       SER  13  17.609  -7.557   8.328
   77   1HB   SER  13          2HB       SER  13  15.401  -7.617   9.820
   78   2HB   SER  13          1HB       SER  13  15.054  -6.148   8.904
   79    HG   SER  13           HG       SER  13  14.303  -8.115   7.887
   80    H    LEU  14           H        LEU  14  17.288  -4.411   9.765
   81    HA   LEU  14           HA       LEU  14  16.896  -2.995   7.307
   82   1HB   LEU  14          2HB       LEU  14  16.104  -2.044   9.387
   83   2HB   LEU  14          1HB       LEU  14  17.733  -2.082  10.055
   84    HG   LEU  14           HG       LEU  14  18.437  -0.544   8.169
   85   1HD1  LEU  14          1HD1      LEU  14  15.444  -0.395   7.747
   86   2HD1  LEU  14          3HD1      LEU  14  16.575   0.817   7.146
   87   3HD1  LEU  14          2HD1      LEU  14  16.682  -0.845   6.570
   88   1HD2  LEU  14          1HD2      LEU  14  16.481   0.356  10.279
   89   2HD2  LEU  14          3HD2      LEU  14  18.240   0.530  10.251
   90   3HD2  LEU  14          2HD2      LEU  14  17.236   1.503   9.175
   91    H    GLN  15           H        GLN  15  19.629  -3.963   9.263
   92    HA   GLN  15           HA       GLN  15  21.540  -2.349   7.811
   93   1HB   GLN  15          2HB       GLN  15  21.711  -3.019  10.254
   94   2HB   GLN  15          1HB       GLN  15  22.129  -4.632   9.684
   95   1HG   GLN  15          2HG       GLN  15  24.187  -3.490  10.096
   96   2HG   GLN  15          1HG       GLN  15  23.989  -3.561   8.345
   97   1HE2  GLN  15          2HD2      GLN  15  24.976  -0.112   9.230
   98   2HE2  GLN  15          1HD2      GLN  15  25.661  -1.691   9.372
   99    H    ALA  16           H        ALA  16  20.268  -5.585   7.658
  100    HA   ALA  16           HA       ALA  16  22.368  -6.535   5.885
  101   1HB   ALA  16          2HB       ALA  16  20.364  -7.724   7.541
  102   2HB   ALA  16          1HB       ALA  16  20.164  -8.310   5.888
  103   3HB   ALA  16          3HB       ALA  16  21.714  -8.500   6.711
  104    H    SER  17           H        SER  17  20.106  -4.368   5.312
  105    HA   SER  17           HA       SER  17  19.255  -5.507   2.727
  106   1HB   SER  17          2HB       SER  17  17.674  -4.449   4.645
  107   2HB   SER  17          1HB       SER  17  18.021  -3.007   3.698
  108    HG   SER  17           HG       SER  17  17.443  -4.505   1.837
  109    H    ALA  18           H        ALA  18  20.637  -2.666   4.307
  110    HA   ALA  18           HA       ALA  18  21.239  -1.448   1.707
  111   1HB   ALA  18          1HB       ALA  18  20.261  -0.155   3.676
  112   2HB   ALA  18          3HB       ALA  18  21.853  -0.305   4.420
  113   3HB   ALA  18          2HB       ALA  18  21.674   0.549   2.887
  114    H    THR  19           H        THR  19  22.627  -3.718   1.980
  115    HA   THR  19           HA       THR  19  25.304  -3.037   2.985
  116    HB   THR  19           HB       THR  19  25.811  -5.408   2.653
  117    HG1  THR  19           HG1      THR  19  24.562  -5.975   0.936
  118   1HG2  THR  19          2HG2      THR  19  23.367  -4.670   4.234
  119   2HG2  THR  19          1HG2      THR  19  23.928  -6.341   4.191
  120   3HG2  THR  19          3HG2      THR  19  24.987  -5.072   4.811
  121    H    GLU  20           H        GLU  20  24.020  -1.959   0.483
  122    HA   GLU  20           HA       GLU  20  25.780  -3.061  -1.580
  123   1HB   GLU  20          2HB       GLU  20  23.141  -2.015  -1.533
  124   2HB   GLU  20          1HB       GLU  20  24.119  -0.957  -2.540
  125   1HG   GLU  20          2HG       GLU  20  23.043  -2.823  -3.804
  126   2HG   GLU  20          1HG       GLU  20  24.800  -2.808  -3.931
  127    H    TYR  21           H        TYR  21  25.968  -0.739   0.725
  128    HA   TYR  21           HA       TYR  21  27.543   1.091  -0.976
  129   1HB   TYR  21          2HB       TYR  21  25.784   1.520   1.381
  130   2HB   TYR  21          1HB       TYR  21  27.173   2.577   1.181
  131    HD1  TYR  21           HD2      TYR  21  27.383   3.966  -0.884
  132    HD2  TYR  21           HD1      TYR  21  23.857   1.712  -0.013
  133    HE1  TYR  21           HE2      TYR  21  26.118   5.303  -2.518
  134    HE2  TYR  21           HE1      TYR  21  22.602   3.056  -1.651
  135    HH   TYR  21           HH       TYR  21  23.718   5.941  -2.915
  136    H    ILE  22           H        ILE  22  27.833  -1.295   1.403
  137    HA   ILE  22           HA       ILE  22  30.163  -0.091   2.654
  138    HB   ILE  22           HB       ILE  22  28.692  -2.680   3.133
  139   1HG1  ILE  22          2HG1      ILE  22  27.685  -0.398   3.817
  140   2HG1  ILE  22          1HG1      ILE  22  27.739  -1.669   5.050
  141   1HG2  ILE  22          2HG2      ILE  22  31.179  -1.615   4.480
  142   2HG2  ILE  22          1HG2      ILE  22  30.114  -2.787   5.257
  143   3HG2  ILE  22          3HG2      ILE  22  30.924  -3.198   3.745
  144   1HD1  ILE  22          1HD1      ILE  22  30.177  -0.250   5.292
  145   2HD1  ILE  22          3HD1      ILE  22  28.907   0.962   5.111
  146   3HD1  ILE  22          2HD1      ILE  22  28.803  -0.243   6.392
  147    H    GLY  23           H        GLY  23  29.472  -2.968   0.648
  148   1HA   GLY  23          2HA       GLY  23  32.076  -4.004   0.579
  149   2HA   GLY  23          1HA       GLY  23  30.851  -4.252  -0.665
  150    H    TYR  24           H        TYR  24  30.820  -1.155  -0.898
  151    HA   TYR  24           HA       TYR  24  32.917  -1.067  -2.928
  152   1HB   TYR  24          2HB       TYR  24  30.726   0.893  -2.247
  153   2HB   TYR  24          1HB       TYR  24  31.862   1.075  -3.575
  154    HD1  TYR  24           HD2      TYR  24  31.834  -0.587  -5.471
  155    HD2  TYR  24           HD1      TYR  24  28.832  -0.562  -2.428
  156    HE1  TYR  24           HE2      TYR  24  30.366  -1.959  -6.889
  157    HE2  TYR  24           HE1      TYR  24  27.385  -1.936  -3.845
  158    HH   TYR  24           HH       TYR  24  28.502  -3.440  -6.726
  159    H    ALA  25           H        ALA  25  32.254   0.142   0.243
  160    HA   ALA  25           HA       ALA  25  34.049   2.348   0.233
  161   1HB   ALA  25          1HB       ALA  25  32.964   0.652   2.486
  162   2HB   ALA  25          3HB       ALA  25  33.917   2.119   2.721
  163   3HB   ALA  25          2HB       ALA  25  32.342   2.207   1.928
  164    H    TRP  26           H        TRP  26  34.574  -0.996   0.121
  165    HA   TRP  26           HA       TRP  26  37.052  -1.067   1.588
  166   1HB   TRP  26          2HB       TRP  26  35.278  -2.956   0.285
  167   2HB   TRP  26          1HB       TRP  26  36.955  -3.277  -0.111
  168    HD1  TRP  26          1HD       TRP  26  34.468  -3.461   2.739
  169    HE1  TRP  26          1HE       TRP  26  35.560  -4.607   4.732
  170    HE3  TRP  26          3HE       TRP  26  39.309  -3.625   1.099
  171    HZ2  TRP  26          2HZ       TRP  26  38.107  -5.481   5.540
  172    HZ3  TRP  26          3HZ       TRP  26  41.030  -4.635   2.538
  173    HH2  TRP  26           HH2      TRP  26  40.439  -5.556   4.740
  174    H    ALA  27           H        ALA  27  36.057  -0.911  -1.796
  175    HA   ALA  27           HA       ALA  27  38.595  -1.187  -2.981
  176   1HB   ALA  27          1HB       ALA  27  35.918  -0.466  -3.810
  177   2HB   ALA  27          3HB       ALA  27  37.125   0.529  -4.627
  178   3HB   ALA  27          2HB       ALA  27  37.210  -1.230  -4.738
  179    H    MET  28           H        MET  28  36.993   1.530  -1.494
  180    HA   MET  28           HA       MET  28  38.797   3.523  -2.509
  181   1HB   MET  28          2HB       MET  28  36.510   3.420  -0.617
  182   2HB   MET  28          1HB       MET  28  37.678   4.687  -0.339
  183   1HG   MET  28          2HG       MET  28  35.928   4.265  -2.767
  184   2HG   MET  28          1HG       MET  28  35.991   5.649  -1.692
  185   1HE   MET  28          2HE       MET  28  36.579   4.543  -4.982
  186   2HE   MET  28          1HE       MET  28  36.073   6.228  -4.875
  187   3HE   MET  28          3HE       MET  28  37.608   5.809  -5.649
  188    H    VAL  29           H        VAL  29  38.754   1.327   0.158
  189    HA   VAL  29           HA       VAL  29  40.699   2.739   1.742
  190    HB   VAL  29           HB       VAL  29  39.660  -0.092   1.849
  191   1HG1  VAL  29          1HG1      VAL  29  41.316   1.437   3.854
  192   2HG1  VAL  29          3HG1      VAL  29  40.600  -0.155   4.112
  193   3HG1  VAL  29          2HG1      VAL  29  41.854   0.062   2.889
  194   1HG2  VAL  29          2HG2      VAL  29  38.124   1.965   2.271
  195   2HG2  VAL  29          1HG2      VAL  29  38.101   0.619   3.413
  196   3HG2  VAL  29          3HG2      VAL  29  39.003   2.086   3.797
  197    H    VAL  30           H        VAL  30  40.711   0.263  -0.738
  198    HA   VAL  30           HA       VAL  30  43.410  -0.574  -0.354
  199    HB   VAL  30           HB       VAL  30  41.549  -0.827  -2.712
  200   1HG1  VAL  30          2HG1      VAL  30  44.175  -2.156  -2.089
  201   2HG1  VAL  30          1HG1      VAL  30  43.053  -2.723  -3.327
  202   3HG1  VAL  30          3HG1      VAL  30  43.787  -1.126  -3.468
  203   1HG2  VAL  30          2HG2      VAL  30  41.911  -2.361  -0.201
  204   2HG2  VAL  30          1HG2      VAL  30  40.460  -2.097  -1.171
  205   3HG2  VAL  30          3HG2      VAL  30  41.657  -3.290  -1.680
  206    H    VAL  31           H        VAL  31  41.770   1.779  -2.422
  207    HA   VAL  31           HA       VAL  31  44.014   2.445  -4.011
  208    HB   VAL  31           HB       VAL  31  41.539   4.028  -3.348
  209   1HG1  VAL  31          3HG1      VAL  31  43.454   5.344  -4.261
  210   2HG1  VAL  31          2HG1      VAL  31  43.384   4.334  -5.707
  211   3HG1  VAL  31          1HG1      VAL  31  42.010   5.353  -5.275
  212   1HG2  VAL  31          3HG2      VAL  31  41.601   1.630  -4.596
  213   2HG2  VAL  31          2HG2      VAL  31  40.422   2.892  -4.962
  214   3HG2  VAL  31          1HG2      VAL  31  41.857   2.705  -5.972
  215    H    ILE  32           H        ILE  32  43.043   3.289  -0.836
  216    HA   ILE  32           HA       ILE  32  44.804   5.623  -0.729
  217    HB   ILE  32           HB       ILE  32  42.907   4.423   1.284
  218   1HG1  ILE  32          2HG1      ILE  32  42.712   7.057  -0.168
  219   2HG1  ILE  32          1HG1      ILE  32  41.991   5.573  -0.783
  220   1HG2  ILE  32          3HG2      ILE  32  45.074   6.295   1.645
  221   2HG2  ILE  32          2HG2      ILE  32  43.523   7.057   2.009
  222   3HG2  ILE  32          1HG2      ILE  32  43.999   5.578   2.848
  223   1HD1  ILE  32          1HD1      ILE  32  41.393   6.813   1.911
  224   2HD1  ILE  32          3HD1      ILE  32  40.363   6.931   0.483
  225   3HD1  ILE  32          2HD1      ILE  32  40.642   5.363   1.245
  226    H    VAL  33           H        VAL  33  44.328   2.576   1.083
  227    HA   VAL  33           HA       VAL  33  46.821   2.772   2.451
  228    HB   VAL  33           HB       VAL  33  44.881   0.501   2.038
  229   1HG1  VAL  33          2HG1      VAL  33  47.139  -0.299   2.545
  230   2HG1  VAL  33          1HG1      VAL  33  47.161   0.712   3.990
  231   3HG1  VAL  33          3HG1      VAL  33  46.009  -0.617   3.862
  232   1HG2  VAL  33          2HG2      VAL  33  45.230   2.583   4.174
  233   2HG2  VAL  33          1HG2      VAL  33  43.771   2.139   3.287
  234   3HG2  VAL  33          3HG2      VAL  33  44.427   1.048   4.509
  235    H    GLY  34           H        GLY  34  45.767   1.525  -0.608
  236   1HA   GLY  34          2HA       GLY  34  47.838  -0.347  -1.091
  237   2HA   GLY  34          1HA       GLY  34  46.864   0.458  -2.325
  238    H    ALA  35           H        ALA  35  47.520   3.120  -1.732
  239    HA   ALA  35           HA       ALA  35  49.779   3.583  -3.268
  240   1HB   ALA  35          3HB       ALA  35  48.001   5.153  -1.604
  241   2HB   ALA  35          2HB       ALA  35  49.661   5.740  -1.494
  242   3HB   ALA  35          1HB       ALA  35  48.870   5.622  -3.067
  243    H    THR  36           H        THR  36  49.491   2.859   0.116
  244    HA   THR  36           HA       THR  36  52.193   3.579   0.832
  245    HB   THR  36           HB       THR  36  49.932   2.126   2.197
  246    HG1  THR  36           HG1      THR  36  49.572   4.163   2.583
  247   1HG2  THR  36          3HG2      THR  36  52.784   2.396   3.111
  248   2HG2  THR  36          2HG2      THR  36  51.457   2.302   4.270
  249   3HG2  THR  36          1HG2      THR  36  51.739   0.973   3.144
  250    H    ILE  37           H        ILE  37  50.440   0.499   0.377
  251    HA   ILE  37           HA       ILE  37  52.558  -1.255   0.789
  252    HB   ILE  37           HB       ILE  37  50.282  -1.511  -1.167
  253   1HG1  ILE  37          2HG1      ILE  37  50.553  -2.344   1.708
  254   2HG1  ILE  37          1HG1      ILE  37  49.486  -1.099   1.076
  255   1HG2  ILE  37          1HG2      ILE  37  52.528  -3.173  -0.786
  256   2HG2  ILE  37          3HG2      ILE  37  51.158  -3.991  -0.033
  257   3HG2  ILE  37          2HG2      ILE  37  51.076  -3.516  -1.731
  258   1HD1  ILE  37          3HD1      ILE  37  48.480  -2.975  -0.378
  259   2HD1  ILE  37          2HD1      ILE  37  49.310  -4.083   0.715
  260   3HD1  ILE  37          1HD1      ILE  37  48.088  -2.975   1.343
  261    H    GLY  38           H        GLY  38  51.851   0.822  -1.902
  262   1HA   GLY  38          2HA       GLY  38  53.537  -0.448  -3.828
  263   2HA   GLY  38          1HA       GLY  38  52.893   1.191  -3.920
  264    H    ILE  39           H        ILE  39  54.050   1.789  -1.225
  265    HA   ILE  39           HA       ILE  39  56.724   2.506  -2.181
  266    HB   ILE  39           HB       ILE  39  55.670   3.297   0.496
  267   1HG1  ILE  39          2HG1      ILE  39  53.769   3.826  -0.790
  268   2HG1  ILE  39          1HG1      ILE  39  54.657   5.318  -0.590
  269   1HG2  ILE  39          3HG2      ILE  39  57.982   3.835  -0.524
  270   2HG2  ILE  39          2HG2      ILE  39  57.092   5.019  -1.486
  271   3HG2  ILE  39          1HG2      ILE  39  57.074   5.121   0.276
  272   1HD1  ILE  39          2HD1      ILE  39  55.670   4.907  -2.870
  273   2HD1  ILE  39          1HD1      ILE  39  54.494   3.602  -3.064
  274   3HD1  ILE  39          3HD1      ILE  39  53.945   5.263  -2.856
  275    H    LYS  40           H        LYS  40  55.165   0.855   0.507
  276    HA   LYS  40           HA       LYS  40  57.402   0.163   1.994
  277   1HB   LYS  40          2HB       LYS  40  54.779  -0.245   2.283
  278   2HB   LYS  40          1HB       LYS  40  55.234  -1.836   1.704
  279   1HG   LYS  40          2HG       LYS  40  55.728  -2.275   3.850
  280   2HG   LYS  40          1HG       LYS  40  57.162  -1.284   3.595
  281   1HD   LYS  40          2HD       LYS  40  54.527  -0.065   4.380
  282   2HD   LYS  40          1HD       LYS  40  55.624  -0.717   5.595
  283   1HE   LYS  40          2HE       LYS  40  56.131   1.563   3.668
  284   2HE   LYS  40          1HE       LYS  40  56.068   1.635   5.427
  285   1HZ   LYS  40          1HZ       LYS  40  58.015   0.016   5.336
  286   2HZ   LYS  40          3HZ       LYS  40  58.177   0.488   3.717
  287   3HZ   LYS  40          2HZ       LYS  40  58.313   1.644   4.952
  288    H    LEU  41           H        LEU  41  56.135  -1.161  -0.969
  289    HA   LEU  41           HA       LEU  41  57.622  -3.586  -0.994
  290   1HB   LEU  41          2HB       LEU  41  56.102  -1.974  -2.985
  291   2HB   LEU  41          1HB       LEU  41  57.211  -3.197  -3.592
  292    HG   LEU  41           HG       LEU  41  54.923  -3.629  -1.665
  293   1HD1  LEU  41          2HD1      LEU  41  54.652  -3.305  -4.283
  294   2HD1  LEU  41          1HD1      LEU  41  55.119  -5.007  -4.290
  295   3HD1  LEU  41          3HD1      LEU  41  53.696  -4.487  -3.386
  296   1HD2  LEU  41          2HD2      LEU  41  57.234  -5.328  -2.368
  297   2HD2  LEU  41          1HD2      LEU  41  56.197  -5.351  -0.940
  298   3HD2  LEU  41          3HD2      LEU  41  55.660  -6.121  -2.432
  299    H    PHE  42           H        PHE  42  58.133  -0.445  -2.589
  300    HA   PHE  42           HA       PHE  42  60.533  -0.965  -3.872
  301   1HB   PHE  42          2HB       PHE  42  59.078   1.120  -3.982
  302   2HB   PHE  42          1HB       PHE  42  59.905   1.647  -2.522
  303    HD1  PHE  42           HD2      PHE  42  60.260   0.938  -6.105
  304    HD2  PHE  42           HD1      PHE  42  62.213   2.345  -2.580
  305    HE1  PHE  42           HE2      PHE  42  62.104   1.822  -7.480
  306    HE2  PHE  42           HE1      PHE  42  64.056   3.230  -3.955
  307    HZ   PHE  42           HZ       PHE  42  64.003   2.968  -6.405
  308    H    LYS  43           H        LYS  43  60.043   0.368  -0.614
  309    HA   LYS  43           HA       LYS  43  62.752   0.542   0.101
  310   1HB   LYS  43          2HB       LYS  43  60.227   0.324   1.708
  311   2HB   LYS  43          1HB       LYS  43  61.813   0.613   2.429
  312   1HG   LYS  43          2HG       LYS  43  61.326   2.334   0.136
  313   2HG   LYS  43          1HG       LYS  43  60.085   2.517   1.357
  314   1HD   LYS  43          2HD       LYS  43  61.716   3.064   3.061
  315   2HD   LYS  43          1HD       LYS  43  63.044   2.670   1.975
  316   1HE   LYS  43          2HE       LYS  43  61.480   5.145   2.227
  317   2HE   LYS  43          1HE       LYS  43  63.116   4.893   1.620
  318   1HZ   LYS  43          2HZ       LYS  43  62.133   4.074  -0.464
  319   2HZ   LYS  43          1HZ       LYS  43  60.585   4.446   0.129
  320   3HZ   LYS  43          3HZ       LYS  43  61.712   5.686  -0.134
  321    H    LYS  44           H        LYS  44  60.759  -2.222  -0.237
  322    HA   LYS  44           HA       LYS  44  62.062  -3.836   1.763
  323   1HB   LYS  44          2HB       LYS  44  59.762  -4.300   1.102
  324   2HB   LYS  44          1HB       LYS  44  60.269  -4.609  -0.547
  325   1HG   LYS  44          2HG       LYS  44  61.821  -6.222   1.259
  326   2HG   LYS  44          1HG       LYS  44  60.101  -6.454   1.576
  327   1HD   LYS  44          2HD       LYS  44  60.019  -6.563  -1.096
  328   2HD   LYS  44          1HD       LYS  44  61.684  -7.093  -0.880
  329   1HE   LYS  44          2HE       LYS  44  59.731  -8.876  -0.945
  330   2HE   LYS  44          1HE       LYS  44  61.080  -9.077   0.167
  331   1HZ   LYS  44          3HZ       LYS  44  58.591  -7.686   0.957
  332   2HZ   LYS  44          2HZ       LYS  44  58.763  -9.370   1.086
  333   3HZ   LYS  44          1HZ       LYS  44  59.795  -8.339   1.956
  334    H    PHE  45           H        PHE  45  62.056  -3.858  -1.800
  335    HA   PHE  45           HA       PHE  45  64.074  -5.791  -2.128
  336   1HB   PHE  45          2HB       PHE  45  62.810  -3.702  -3.818
  337   2HB   PHE  45          1HB       PHE  45  64.333  -4.372  -4.357
  338    HD1  PHE  45           HD1      PHE  45  64.543  -6.896  -4.663
  339    HD2  PHE  45           HD2      PHE  45  60.769  -4.933  -4.104
  340    HE1  PHE  45           HE1      PHE  45  63.373  -8.857  -5.567
  341    HE2  PHE  45           HE2      PHE  45  59.622  -6.904  -5.013
  342    HZ   PHE  45           HZ       PHE  45  60.917  -8.865  -5.743
  343    H    THR  46           H        THR  46  64.199  -2.314  -1.681
  344    HA   THR  46           HA       THR  46  67.031  -2.174  -2.222
  345    HB   THR  46           HB       THR  46  66.766   0.175  -1.774
  346    HG1  THR  46           HG1      THR  46  65.371   0.634  -0.270
  347   1HG2  THR  46          1HG2      THR  46  65.338  -1.269  -3.738
  348   2HG2  THR  46          3HG2      THR  46  64.290   0.046  -3.198
  349   3HG2  THR  46          2HG2      THR  46  65.904   0.403  -3.816
  350    H    SER  47           H        SER  47  65.477  -3.477   0.296
  351    HA   SER  47           HA       SER  47  67.501  -2.529   2.229
  352   1HB   SER  47          2HB       SER  47  65.919  -2.643   3.994
  353   2HB   SER  47          1HB       SER  47  65.153  -1.737   2.695
  354    HG   SER  47           HG       SER  47  63.647  -3.219   2.723
  355    H    LYS  48           H        LYS  48  67.172  -4.952   0.329
  356    HA   LYS  48           HA       LYS  48  66.779  -7.263   1.837
  357   1HB   LYS  48          2HB       LYS  48  68.335  -6.697  -0.671
  358   2HB   LYS  48          1HB       LYS  48  68.287  -8.309   0.035
  359   1HG   LYS  48          2HG       LYS  48  65.681  -6.931  -0.371
  360   2HG   LYS  48          1HG       LYS  48  66.535  -7.474  -1.810
  361   1HD   LYS  48          2HD       LYS  48  65.036  -9.226  -1.099
  362   2HD   LYS  48          1HD       LYS  48  66.693  -9.748  -0.819
  363   1HE   LYS  48          2HE       LYS  48  65.270  -8.388   1.421
  364   2HE   LYS  48          1HE       LYS  48  64.791 -10.033   1.023
  365   1HZ   LYS  48          1HZ       LYS  48  67.564  -9.162   1.620
  366   2HZ   LYS  48          3HZ       LYS  48  66.534  -9.956   2.706
  367   3HZ   LYS  48          2HZ       LYS  48  67.060 -10.750   1.299
  368    H    ALA  49           H        ALA  49  69.840  -5.686   0.928
  369    HA   ALA  49           HA       ALA  49  71.587  -7.301   2.292
  370   1HB   ALA  49          1HB       ALA  49  71.634  -4.432   1.478
  371   2HB   ALA  49          3HB       ALA  49  72.915  -5.042   2.527
  372   3HB   ALA  49          2HB       ALA  49  72.653  -5.769   0.939
  373    H    SER  50           H        SER  50  72.024  -7.665   4.380
  374    HA   SER  50           HA       SER  50  71.875  -7.578   6.667
  375   1HB   SER  50          2HB       SER  50  71.653  -4.593   6.367
  376   2HB   SER  50          1HB       SER  50  72.377  -5.510   7.683
  377    HG   SER  50           HG       SER  50  73.988  -4.681   6.286
   
  No H/Q in entry =         377
  Start of MODEL    6
    1   1H    ALA   1          1H        ALA   1  34.221  16.317  28.681
    2   2H    ALA   1          3H        ALA   1  34.806  15.508  27.309
    3   3H    ALA   1          2H        ALA   1  33.522  16.610  27.160
    4    HA   ALA   1           HA       ALA   1  31.988  15.215  28.091
    5   1HB   ALA   1          2HB       ALA   1  32.973  14.324  25.905
    6   2HB   ALA   1          1HB       ALA   1  33.906  13.199  26.895
    7   3HB   ALA   1          3HB       ALA   1  32.141  13.132  26.911
    8    H    GLU   2           H        GLU   2  32.277  12.460  28.735
    9    HA   GLU   2           HA       GLU   2  34.118  11.840  30.709
   10   1HB   GLU   2          2HB       GLU   2  32.632  12.168  32.740
   11   2HB   GLU   2          1HB       GLU   2  33.358  13.625  32.064
   12   1HG   GLU   2          2HG       GLU   2  31.210  13.964  30.770
   13   2HG   GLU   2          1HG       GLU   2  30.514  12.662  31.737
   14    H    GLY   3           H        GLY   3  33.950   9.717  31.060
   15   1HA   GLY   3          2HA       GLY   3  33.066   7.599  31.249
   16   2HA   GLY   3          1HA       GLY   3  31.468   8.335  31.356
   17    H    ASP   4           H        ASP   4  31.307   6.174  29.984
   18    HA   ASP   4           HA       ASP   4  31.680   6.822  27.129
   19   1HB   ASP   4          2HB       ASP   4  32.663   4.684  28.215
   20   2HB   ASP   4          1HB       ASP   4  31.001   4.094  28.180
   21    H    ASP   5           H        ASP   5  29.593   8.080  28.424
   22    HA   ASP   5           HA       ASP   5  27.392   7.406  26.815
   23   1HB   ASP   5          2HB       ASP   5  27.202   5.493  28.355
   24   2HB   ASP   5          1HB       ASP   5  27.100   6.612  29.715
   25    HA   PRO   6           HA       PRO   6  27.270  11.573  28.754
   26   1HB   PRO   6          2HB       PRO   6  27.477  13.013  26.478
   27   2HB   PRO   6          1HB       PRO   6  28.876  12.409  27.377
   28   1HG   PRO   6          2HG       PRO   6  27.765  11.497  24.816
   29   2HG   PRO   6          1HG       PRO   6  29.399  11.310  25.469
   30   1HD   PRO   6          2HD       PRO   6  27.323   9.361  25.406
   31   2HD   PRO   6          1HD       PRO   6  28.928   9.214  26.146
   32    H    ALA   7           H        ALA   7  25.341   9.815  26.623
   33    HA   ALA   7           HA       ALA   7  23.038   9.835  26.397
   34   1HB   ALA   7          2HB       ALA   7  23.203  11.571  28.424
   35   2HB   ALA   7          1HB       ALA   7  22.737  12.696  27.147
   36   3HB   ALA   7          3HB       ALA   7  21.707  11.314  27.524
   37    H    LYS   8           H        LYS   8  24.664  12.886  25.581
   38    HA   LYS   8           HA       LYS   8  23.089  13.490  23.324
   39   1HB   LYS   8          2HB       LYS   8  24.632  15.199  22.899
   40   2HB   LYS   8          1HB       LYS   8  24.663  15.015  24.643
   41   1HG   LYS   8          2HG       LYS   8  26.731  13.797  24.560
   42   2HG   LYS   8          1HG       LYS   8  26.669  13.682  22.804
   43   1HD   LYS   8          2HD       LYS   8  27.273  16.071  24.537
   44   2HD   LYS   8          1HD       LYS   8  28.212  15.412  23.205
   45   1HE   LYS   8          2HE       LYS   8  25.648  17.020  23.045
   46   2HE   LYS   8          1HE       LYS   8  27.244  17.470  22.448
   47   1HZ   LYS   8          1HZ       LYS   8  26.311  14.993  21.347
   48   2HZ   LYS   8          3HZ       LYS   8  25.272  16.287  21.001
   49   3HZ   LYS   8          2HZ       LYS   8  26.911  16.375  20.565
   50    H    ALA   9           H        ALA   9  26.060  11.643  23.752
   51    HA   ALA   9           HA       ALA   9  26.652  11.251  21.012
   52   1HB   ALA   9          2HB       ALA   9  27.467  10.012  23.585
   53   2HB   ALA   9          1HB       ALA   9  27.726   9.062  22.121
   54   3HB   ALA   9          3HB       ALA   9  28.460  10.659  22.277
   55    H    ALA  10           H        ALA  10  24.482   9.682  23.249
   56    HA   ALA  10           HA       ALA  10  23.966   7.356  21.674
   57   1HB   ALA  10          1HB       ALA  10  23.510   7.540  24.125
   58   2HB   ALA  10          3HB       ALA  10  22.183   8.642  23.751
   59   3HB   ALA  10          2HB       ALA  10  22.125   6.970  23.191
   60    H    PHE  11           H        PHE  11  22.280  10.447  22.132
   61    HA   PHE  11           HA       PHE  11  20.143   9.938  20.356
   62   1HB   PHE  11          2HB       PHE  11  20.636  11.873  22.119
   63   2HB   PHE  11          1HB       PHE  11  21.183  12.706  20.675
   64    HD1  PHE  11           HD2      PHE  11  19.581  12.924  18.704
   65    HD2  PHE  11           HD1      PHE  11  18.305  11.663  22.596
   66    HE1  PHE  11           HE2      PHE  11  17.255  13.474  18.131
   67    HE2  PHE  11           HE1      PHE  11  15.986  12.218  22.005
   68    HZ   PHE  11           HZ       PHE  11  15.458  13.121  19.777
   69    H    ASN  12           H        ASN  12  23.405  11.095  19.908
   70    HA   ASN  12           HA       ASN  12  22.993  11.847  17.138
   71   1HB   ASN  12          2HB       ASN  12  24.939  12.396  19.106
   72   2HB   ASN  12          1HB       ASN  12  25.765  11.501  17.831
   73   1HD2  ASN  12          2HD2      ASN  12  26.124  14.801  16.541
   74   2HD2  ASN  12          1HD2      ASN  12  26.855  13.620  17.570
   75    H    SER  13           H        SER  13  23.905   9.033  18.924
   76    HA   SER  13           HA       SER  13  25.358   7.625  16.949
   77   1HB   SER  13          2HB       SER  13  24.775   7.116  19.527
   78   2HB   SER  13          1HB       SER  13  23.578   6.082  18.742
   79    HG   SER  13           HG       SER  13  25.203   4.977  17.724
   80    H    LEU  14           H        LEU  14  21.995   8.303  17.331
   81    HA   LEU  14           HA       LEU  14  21.029   6.168  15.674
   82   1HB   LEU  14          2HB       LEU  14  19.518   8.712  16.120
   83   2HB   LEU  14          1HB       LEU  14  18.904   7.070  15.965
   84    HG   LEU  14           HG       LEU  14  20.427   8.212  18.324
   85   1HD1  LEU  14          2HD1      LEU  14  17.536   7.375  18.023
   86   2HD1  LEU  14          1HD1      LEU  14  18.311   7.762  19.558
   87   3HD1  LEU  14          3HD1      LEU  14  18.149   9.006  18.317
   88   1HD2  LEU  14          2HD2      LEU  14  19.319   5.425  17.905
   89   2HD2  LEU  14          1HD2      LEU  14  21.024   5.869  18.017
   90   3HD2  LEU  14          3HD2      LEU  14  19.971   6.040  19.423
   91    H    GLN  15           H        GLN  15  21.803   9.574  15.248
   92    HA   GLN  15           HA       GLN  15  20.996   9.638  12.475
   93   1HB   GLN  15          2HB       GLN  15  20.811  11.622  13.873
   94   2HB   GLN  15          1HB       GLN  15  22.543  11.606  14.164
   95   1HG   GLN  15          2HG       GLN  15  22.082  13.235  12.448
   96   2HG   GLN  15          1HG       GLN  15  22.889  11.860  11.698
   97   1HE2  GLN  15          2HD2      GLN  15  20.330  12.027   9.305
   98   2HE2  GLN  15          1HD2      GLN  15  21.994  12.322   9.667
   99    H    ALA  16           H        ALA  16  23.909   9.121  14.297
  100    HA   ALA  16           HA       ALA  16  25.632   9.323  11.955
  101   1HB   ALA  16          2HB       ALA  16  26.017   9.692  14.677
  102   2HB   ALA  16          1HB       ALA  16  26.844   8.171  14.331
  103   3HB   ALA  16          3HB       ALA  16  27.276   9.632  13.442
  104    H    SER  17           H        SER  17  23.480   7.119  12.547
  105    HA   SER  17           HA       SER  17  25.186   4.743  12.354
  106   1HB   SER  17          2HB       SER  17  23.227   4.799  13.919
  107   2HB   SER  17          1HB       SER  17  22.174   4.901  12.511
  108    HG   SER  17           HG       SER  17  22.484   2.826  12.173
  109    H    ALA  18           H        ALA  18  24.913   6.747  10.197
  110    HA   ALA  18           HA       ALA  18  23.523   5.213   8.110
  111   1HB   ALA  18          3HB       ALA  18  23.117   7.697   8.419
  112   2HB   ALA  18          2HB       ALA  18  24.768   7.943   7.844
  113   3HB   ALA  18          1HB       ALA  18  23.570   7.186   6.792
  114    H    THR  19           H        THR  19  25.435   3.698   8.588
  115    HA   THR  19           HA       THR  19  27.999   4.396   7.508
  116    HB   THR  19           HB       THR  19  28.413   1.915   7.688
  117    HG1  THR  19           HG1      THR  19  25.903   1.853   8.990
  118   1HG2  THR  19          3HG2      THR  19  27.552   3.606  10.017
  119   2HG2  THR  19          2HG2      THR  19  28.009   1.922  10.277
  120   3HG2  THR  19          1HG2      THR  19  29.170   3.049   9.574
  121    H    GLU  20           H        GLU  20  25.102   3.813   5.989
  122    HA   GLU  20           HA       GLU  20  26.022   2.225   3.791
  123   1HB   GLU  20          2HB       GLU  20  23.561   2.990   4.782
  124   2HB   GLU  20          1HB       GLU  20  23.691   3.886   3.271
  125   1HG   GLU  20          2HG       GLU  20  22.630   1.662   2.972
  126   2HG   GLU  20          1HG       GLU  20  24.120   1.833   2.044
  127    H    TYR  21           H        TYR  21  26.503   5.417   4.660
  128    HA   TYR  21           HA       TYR  21  26.810   6.328   1.883
  129   1HB   TYR  21          2HB       TYR  21  26.470   7.721   4.506
  130   2HB   TYR  21          1HB       TYR  21  27.266   8.559   3.183
  131    HD1  TYR  21           HD2      TYR  21  26.025   8.973   1.057
  132    HD2  TYR  21           HD1      TYR  21  24.111   7.352   4.518
  133    HE1  TYR  21           HE2      TYR  21  23.823   9.544   0.115
  134    HE2  TYR  21           HE1      TYR  21  21.914   7.927   3.567
  135    HH   TYR  21           HH       TYR  21  20.894   8.371   1.418
  136    H    ILE  22           H        ILE  22  28.595   5.417   4.708
  137    HA   ILE  22           HA       ILE  22  31.064   6.651   3.782
  138    HB   ILE  22           HB       ILE  22  30.405   4.878   6.131
  139   1HG1  ILE  22          2HG1      ILE  22  29.605   7.333   6.052
  140   2HG1  ILE  22          1HG1      ILE  22  30.490   6.819   7.497
  141   1HG2  ILE  22          1HG2      ILE  22  32.732   4.477   5.427
  142   2HG2  ILE  22          3HG2      ILE  22  33.058   6.210   5.520
  143   3HG2  ILE  22          2HG2      ILE  22  32.667   5.307   6.985
  144   1HD1  ILE  22          1HD1      ILE  22  32.477   7.771   5.760
  145   2HD1  ILE  22          3HD1      ILE  22  31.137   8.907   5.590
  146   3HD1  ILE  22          2HD1      ILE  22  31.825   8.581   7.180
  147    H    GLY  23           H        GLY  23  29.403   3.714   3.246
  148   1HA   GLY  23          2HA       GLY  23  31.516   1.882   2.983
  149   2HA   GLY  23          1HA       GLY  23  29.968   1.785   2.141
  150    H    TYR  24           H        TYR  24  30.312   4.403   0.886
  151    HA   TYR  24           HA       TYR  24  31.403   3.684  -1.565
  152   1HB   TYR  24          2HB       TYR  24  30.792   6.290  -0.245
  153   2HB   TYR  24          1HB       TYR  24  31.677   6.294  -1.761
  154    HD1  TYR  24           HD1      TYR  24  30.649   5.033  -3.748
  155    HD2  TYR  24           HD2      TYR  24  28.422   6.080  -0.243
  156    HE1  TYR  24           HE1      TYR  24  28.544   4.771  -4.994
  157    HE2  TYR  24           HE2      TYR  24  26.330   5.814  -1.505
  158    HH   TYR  24           HH       TYR  24  26.112   5.769  -4.739
  159    H    ALA  25           H        ALA  25  32.945   4.864   1.316
  160    HA   ALA  25           HA       ALA  25  35.462   5.442  -0.019
  161   1HB   ALA  25          3HB       ALA  25  34.334   5.800   2.693
  162   2HB   ALA  25          2HB       ALA  25  36.075   5.527   2.606
  163   3HB   ALA  25          1HB       ALA  25  35.349   6.881   1.737
  164    H    TRP  26           H        TRP  26  33.943   2.842   1.719
  165    HA   TRP  26           HA       TRP  26  36.163   1.379   2.563
  166   1HB   TRP  26          2HB       TRP  26  33.331   0.893   2.151
  167   2HB   TRP  26          1HB       TRP  26  34.300  -0.510   1.746
  168    HD1  TRP  26          1HD       TRP  26  32.597   0.916   4.620
  169    HE1  TRP  26          1HE       TRP  26  33.575   0.044   6.809
  170    HE3  TRP  26          3HE       TRP  26  36.967  -1.118   2.895
  171    HZ2  TRP  26          2HZ       TRP  26  35.852  -1.316   7.725
  172    HZ3  TRP  26          3HZ       TRP  26  38.504  -2.194   4.489
  173    HH2  TRP  26           HH2      TRP  26  37.955  -2.292   6.885
  174    H    ALA  27           H        ALA  27  34.701   1.723  -0.595
  175    HA   ALA  27           HA       ALA  27  36.135  -0.432  -1.833
  176   1HB   ALA  27          3HB       ALA  27  34.472   1.863  -2.803
  177   2HB   ALA  27          2HB       ALA  27  35.463   0.958  -3.948
  178   3HB   ALA  27          1HB       ALA  27  34.216   0.130  -3.014
  179    H    MET  28           H        MET  28  36.505   3.105  -1.756
  180    HA   MET  28           HA       MET  28  38.845   3.223  -3.307
  181   1HB   MET  28          2HB       MET  28  37.120   5.039  -2.575
  182   2HB   MET  28          1HB       MET  28  38.166   5.187  -1.169
  183   1HG   MET  28          2HG       MET  28  38.746   6.801  -2.904
  184   2HG   MET  28          1HG       MET  28  40.059   5.677  -2.593
  185   1HE   MET  28          1HE       MET  28  36.932   6.329  -4.816
  186   2HE   MET  28          3HE       MET  28  38.177   7.473  -5.336
  187   3HE   MET  28          2HE       MET  28  37.633   6.200  -6.428
  188    H    VAL  29           H        VAL  29  38.226   2.925   0.150
  189    HA   VAL  29           HA       VAL  29  40.784   3.351   1.153
  190    HB   VAL  29           HB       VAL  29  38.553   1.554   2.087
  191   1HG1  VAL  29          3HG1      VAL  29  40.725   0.813   3.003
  192   2HG1  VAL  29          2HG1      VAL  29  40.978   2.434   3.650
  193   3HG1  VAL  29          1HG1      VAL  29  39.640   1.445   4.241
  194   1HG2  VAL  29          1HG2      VAL  29  38.556   4.236   1.944
  195   2HG2  VAL  29          3HG2      VAL  29  37.720   3.339   3.213
  196   3HG2  VAL  29          2HG2      VAL  29  39.316   4.025   3.523
  197    H    VAL  30           H        VAL  30  39.400   0.587  -0.476
  198    HA   VAL  30           HA       VAL  30  41.412  -1.298   0.206
  199    HB   VAL  30           HB       VAL  30  39.463  -1.168  -2.091
  200   1HG1  VAL  30          3HG1      VAL  30  41.363  -3.298  -1.189
  201   2HG1  VAL  30          2HG1      VAL  30  39.874  -3.704  -2.046
  202   3HG1  VAL  30          1HG1      VAL  30  41.083  -2.673  -2.813
  203   1HG2  VAL  30          2HG2      VAL  30  38.802  -1.355   0.486
  204   2HG2  VAL  30          1HG2      VAL  30  37.928  -2.221  -0.778
  205   3HG2  VAL  30          3HG2      VAL  30  39.155  -3.056   0.177
  206    H    VAL  31           H        VAL  31  41.041   1.151  -2.258
  207    HA   VAL  31           HA       VAL  31  43.236   0.233  -3.869
  208    HB   VAL  31           HB       VAL  31  41.637   2.784  -3.868
  209   1HG1  VAL  31          3HG1      VAL  31  43.996   1.946  -5.400
  210   2HG1  VAL  31          2HG1      VAL  31  42.661   2.579  -6.365
  211   3HG1  VAL  31          1HG1      VAL  31  43.363   3.560  -5.076
  212   1HG2  VAL  31          3HG2      VAL  31  40.428   0.650  -4.406
  213   2HG2  VAL  31          2HG2      VAL  31  40.433   1.839  -5.712
  214   3HG2  VAL  31          1HG2      VAL  31  41.520   0.449  -5.779
  215    H    ILE  32           H        ILE  32  42.912   2.061  -1.024
  216    HA   ILE  32           HA       ILE  32  45.308   3.651  -1.407
  217    HB   ILE  32           HB       ILE  32  43.563   3.233   1.017
  218   1HG1  ILE  32          2HG1      ILE  32  43.667   5.444  -1.040
  219   2HG1  ILE  32          1HG1      ILE  32  42.344   4.314  -0.768
  220   1HG2  ILE  32          2HG2      ILE  32  45.837   5.147   0.498
  221   2HG2  ILE  32          1HG2      ILE  32  44.681   5.332   1.819
  222   3HG2  ILE  32          3HG2      ILE  32  45.730   3.915   1.757
  223   1HD1  ILE  32          3HD1      ILE  32  42.702   5.408   1.731
  224   2HD1  ILE  32          2HD1      ILE  32  43.028   6.777   0.665
  225   3HD1  ILE  32          1HD1      ILE  32  41.486   5.924   0.560
  226    H    VAL  33           H        VAL  33  44.392   0.600  -0.019
  227    HA   VAL  33           HA       VAL  33  46.627   0.253   1.688
  228    HB   VAL  33           HB       VAL  33  44.634  -1.622   0.428
  229   1HG1  VAL  33          2HG1      VAL  33  47.147  -2.266   1.637
  230   2HG1  VAL  33          1HG1      VAL  33  45.823  -2.875   2.631
  231   3HG1  VAL  33          3HG1      VAL  33  45.936  -3.337   0.932
  232   1HG2  VAL  33          2HG2      VAL  33  44.813  -0.075   2.922
  233   2HG2  VAL  33          1HG2      VAL  33  43.398  -0.651   2.040
  234   3HG2  VAL  33          3HG2      VAL  33  44.275  -1.746   3.112
  235    H    GLY  34           H        GLY  34  45.854  -1.236  -1.485
  236   1HA   GLY  34          2HA       GLY  34  48.260  -2.505  -1.969
  237   2HA   GLY  34          1HA       GLY  34  47.229  -1.837  -3.236
  238    H    ALA  35           H        ALA  35  47.525   0.889  -2.040
  239    HA   ALA  35           HA       ALA  35  49.731   1.773  -3.596
  240   1HB   ALA  35          2HB       ALA  35  47.553   3.017  -2.771
  241   2HB   ALA  35          1HB       ALA  35  48.592   3.467  -1.417
  242   3HB   ALA  35          3HB       ALA  35  49.048   3.909  -3.064
  243    H    THR  36           H        THR  36  49.359   0.794  -0.279
  244    HA   THR  36           HA       THR  36  51.799   2.013   0.642
  245    HB   THR  36           HB       THR  36  49.637   1.232   1.961
  246    HG1  THR  36           HG1      THR  36  51.325   2.391   2.877
  247   1HG2  THR  36          1HG2      THR  36  51.464  -1.166   2.181
  248   2HG2  THR  36          3HG2      THR  36  50.155  -0.806   3.307
  249   3HG2  THR  36          2HG2      THR  36  49.795  -1.148   1.617
  250    H    ILE  37           H        ILE  37  50.811  -1.339  -0.026
  251    HA   ILE  37           HA       ILE  37  53.176  -2.668   0.390
  252    HB   ILE  37           HB       ILE  37  51.124  -3.125  -1.759
  253   1HG1  ILE  37          2HG1      ILE  37  51.430  -4.183   1.036
  254   2HG1  ILE  37          1HG1      ILE  37  50.165  -3.112   0.450
  255   1HG2  ILE  37          1HG2      ILE  37  53.240  -4.977  -0.667
  256   2HG2  ILE  37          3HG2      ILE  37  51.923  -5.460  -1.740
  257   3HG2  ILE  37          2HG2      ILE  37  53.155  -4.330  -2.308
  258   1HD1  ILE  37          2HD1      ILE  37  50.635  -5.914  -0.581
  259   2HD1  ILE  37          1HD1      ILE  37  49.450  -5.495   0.659
  260   3HD1  ILE  37          3HD1      ILE  37  49.282  -4.850  -0.975
  261    H    GLY  38           H        GLY  38  52.391  -0.469  -2.181
  262   1HA   GLY  38          2HA       GLY  38  54.507  -1.264  -3.957
  263   2HA   GLY  38          1HA       GLY  38  53.538   0.204  -4.071
  264    H    ILE  39           H        ILE  39  53.992   1.691  -2.044
  265    HA   ILE  39           HA       ILE  39  56.654   2.614  -2.360
  266    HB   ILE  39           HB       ILE  39  54.642   3.349  -0.238
  267   1HG1  ILE  39          2HG1      ILE  39  54.931   5.210  -2.441
  268   2HG1  ILE  39          1HG1      ILE  39  54.397   3.629  -2.999
  269   1HG2  ILE  39          1HG2      ILE  39  57.282   4.391  -1.034
  270   2HG2  ILE  39          3HG2      ILE  39  56.028   5.595  -0.741
  271   3HG2  ILE  39          2HG2      ILE  39  56.460   4.444   0.525
  272   1HD1  ILE  39          1HD1      ILE  39  52.869   4.044  -0.732
  273   2HD1  ILE  39          3HD1      ILE  39  52.950   5.646  -1.466
  274   3HD1  ILE  39          2HD1      ILE  39  52.330   4.280  -2.396
  275    H    LYS  40           H        LYS  40  55.164   0.402  -0.148
  276    HA   LYS  40           HA       LYS  40  57.095   0.584   1.942
  277   1HB   LYS  40          2HB       LYS  40  54.648  -0.604   1.657
  278   2HB   LYS  40          1HB       LYS  40  55.728  -1.982   1.573
  279   1HG   LYS  40          2HG       LYS  40  55.479  -1.861   3.830
  280   2HG   LYS  40          1HG       LYS  40  56.776  -0.674   3.679
  281   1HD   LYS  40          2HD       LYS  40  55.382   1.115   3.989
  282   2HD   LYS  40          1HD       LYS  40  54.006   0.298   3.262
  283   1HE   LYS  40          2HE       LYS  40  54.649   0.616   6.042
  284   2HE   LYS  40          1HE       LYS  40  53.197  -0.043   5.298
  285   1HZ   LYS  40          2HZ       LYS  40  55.666  -1.612   5.757
  286   2HZ   LYS  40          1HZ       LYS  40  54.352  -1.576   6.833
  287   3HZ   LYS  40          3HZ       LYS  40  54.148  -2.198   5.269
  288    H    LEU  41           H        LEU  41  56.592  -1.520  -0.842
  289    HA   LEU  41           HA       LEU  41  58.763  -3.269  -0.427
  290   1HB   LEU  41          2HB       LEU  41  57.023  -2.504  -2.721
  291   2HB   LEU  41          1HB       LEU  41  58.479  -3.425  -3.064
  292    HG   LEU  41           HG       LEU  41  56.337  -4.218  -1.085
  293   1HD1  LEU  41          1HD1      LEU  41  55.559  -4.283  -3.424
  294   2HD1  LEU  41          3HD1      LEU  41  56.904  -5.354  -3.823
  295   3HD1  LEU  41          2HD1      LEU  41  55.653  -5.890  -2.700
  296   1HD2  LEU  41          2HD2      LEU  41  59.018  -5.124  -1.377
  297   2HD2  LEU  41          1HD2      LEU  41  57.756  -5.760  -0.322
  298   3HD2  LEU  41          3HD2      LEU  41  57.951  -6.406  -1.951
  299    H    PHE  42           H        PHE  42  58.507  -0.139  -2.018
  300    HA   PHE  42           HA       PHE  42  60.997  -0.118  -3.338
  301   1HB   PHE  42          2HB       PHE  42  58.899   1.500  -3.395
  302   2HB   PHE  42          1HB       PHE  42  59.861   2.398  -2.228
  303    HD1  PHE  42           HD1      PHE  42  59.866   0.989  -5.657
  304    HD2  PHE  42           HD2      PHE  42  61.694   3.709  -2.921
  305    HE1  PHE  42           HE1      PHE  42  61.167   1.975  -7.505
  306    HE2  PHE  42           HE2      PHE  42  62.994   4.694  -4.768
  307    HZ   PHE  42           HZ       PHE  42  62.730   3.827  -7.060
  308    H    LYS  43           H        LYS  43  60.031   1.021  -0.121
  309    HA   LYS  43           HA       LYS  43  62.415   2.211   0.663
  310   1HB   LYS  43          2HB       LYS  43  60.243   0.838   2.208
  311   2HB   LYS  43          1HB       LYS  43  61.621   1.582   3.015
  312   1HG   LYS  43          2HG       LYS  43  60.037   3.150   0.995
  313   2HG   LYS  43          1HG       LYS  43  59.411   2.962   2.620
  314   1HD   LYS  43          2HD       LYS  43  60.753   4.583   3.392
  315   2HD   LYS  43          1HD       LYS  43  62.179   3.766   2.780
  316   1HE   LYS  43          2HE       LYS  43  60.650   6.031   1.637
  317   2HE   LYS  43          1HE       LYS  43  62.369   5.676   1.562
  318   1HZ   LYS  43          3HZ       LYS  43  61.631   3.804  -0.016
  319   2HZ   LYS  43          2HZ       LYS  43  60.199   4.701  -0.168
  320   3HZ   LYS  43          1HZ       LYS  43  61.688   5.394  -0.597
  321    H    LYS  44           H        LYS  44  61.475  -1.198   0.807
  322    HA   LYS  44           HA       LYS  44  63.822  -1.958   2.275
  323   1HB   LYS  44          2HB       LYS  44  61.447  -3.116   2.053
  324   2HB   LYS  44          1HB       LYS  44  62.215  -3.930   0.700
  325   1HG   LYS  44          2HG       LYS  44  63.973  -4.076   2.983
  326   2HG   LYS  44          1HG       LYS  44  62.350  -4.585   3.459
  327   1HD   LYS  44          2HD       LYS  44  63.780  -6.485   2.581
  328   2HD   LYS  44          1HD       LYS  44  62.311  -6.236   1.626
  329   1HE   LYS  44          2HE       LYS  44  64.319  -6.618   0.207
  330   2HE   LYS  44          1HE       LYS  44  63.617  -5.024  -0.082
  331   1HZ   LYS  44          2HZ       LYS  44  65.298  -4.192   1.583
  332   2HZ   LYS  44          1HZ       LYS  44  66.053  -5.709   1.455
  333   3HZ   LYS  44          3HZ       LYS  44  65.916  -4.712   0.090
  334    H    PHE  45           H        PHE  45  62.755  -2.473  -1.099
  335    HA   PHE  45           HA       PHE  45  65.062  -3.757  -2.035
  336   1HB   PHE  45          2HB       PHE  45  62.825  -2.232  -3.256
  337   2HB   PHE  45          1HB       PHE  45  64.259  -2.485  -4.223
  338    HD1  PHE  45           HD2      PHE  45  65.038  -4.807  -4.760
  339    HD2  PHE  45           HD1      PHE  45  61.310  -4.068  -2.778
  340    HE1  PHE  45           HE2      PHE  45  64.283  -7.080  -5.304
  341    HE2  PHE  45           HE1      PHE  45  60.575  -6.343  -3.331
  342    HZ   PHE  45           HZ       PHE  45  62.057  -7.850  -4.592
  343    H    THR  46           H        THR  46  64.283  -0.306  -1.819
  344    HA   THR  46           HA       THR  46  66.793   0.453  -3.028
  345    HB   THR  46           HB       THR  46  66.002   2.702  -2.732
  346    HG1  THR  46           HG1      THR  46  64.015   3.061  -1.634
  347   1HG2  THR  46          3HG2      THR  46  64.763   0.779  -4.276
  348   2HG2  THR  46          2HG2      THR  46  63.416   1.593  -3.478
  349   3HG2  THR  46          1HG2      THR  46  64.563   2.525  -4.441
  350    H    SER  47           H        SER  47  65.839  -0.492   0.062
  351    HA   SER  47           HA       SER  47  67.465   1.299   1.606
  352   1HB   SER  47          2HB       SER  47  65.759   0.383   2.868
  353   2HB   SER  47          1HB       SER  47  65.931  -1.210   2.140
  354    HG   SER  47           HG       SER  47  67.508  -1.673   3.529
  355    H    LYS  48           H        LYS  48  68.036  -1.569  -0.220
  356    HA   LYS  48           HA       LYS  48  70.077  -2.897   0.946
  357   1HB   LYS  48          2HB       LYS  48  69.382  -2.246  -1.841
  358   2HB   LYS  48          1HB       LYS  48  71.050  -2.745  -1.586
  359   1HG   LYS  48          2HG       LYS  48  70.346  -4.847  -0.631
  360   2HG   LYS  48          1HG       LYS  48  68.656  -4.330  -0.621
  361   1HD   LYS  48          2HD       LYS  48  68.868  -5.728  -2.497
  362   2HD   LYS  48          1HD       LYS  48  68.877  -4.088  -3.137
  363   1HE   LYS  48          2HE       LYS  48  70.673  -4.945  -4.279
  364   2HE   LYS  48          1HE       LYS  48  71.497  -4.364  -2.835
  365   1HZ   LYS  48          1HZ       LYS  48  70.771  -6.826  -2.088
  366   2HZ   LYS  48          3HZ       LYS  48  71.039  -7.069  -3.745
  367   3HZ   LYS  48          2HZ       LYS  48  72.280  -6.441  -2.769
  368    H    ALA  49           H        ALA  49  70.595  -0.058  -1.144
  369    HA   ALA  49           HA       ALA  49  72.193   1.591  -1.096
  370   1HB   ALA  49          1HB       ALA  49  71.737   1.247   1.493
  371   2HB   ALA  49          3HB       ALA  49  73.371   0.582   1.451
  372   3HB   ALA  49          2HB       ALA  49  73.079   2.241   0.923
  373    H    SER  50           H        SER  50  74.691   1.804  -0.908
  374    HA   SER  50           HA       SER  50  75.868  -0.052  -2.647
  375   1HB   SER  50          2HB       SER  50  77.111   1.961  -0.776
  376   2HB   SER  50          1HB       SER  50  78.020   1.049  -1.976
  377    HG   SER  50           HG       SER  50  76.787   3.305  -2.372
   
  No H/Q in entry =         377
  Start of MODEL    7
    1   1H    ALA   1          1H        ALA   1  16.514  -8.784  28.455
    2   2H    ALA   1          3H        ALA   1  15.673  -9.026  29.908
    3   3H    ALA   1          2H        ALA   1  17.119  -8.133  29.902
    4    HA   ALA   1           HA       ALA   1  18.365  -9.921  30.119
    5   1HB   ALA   1          3HB       ALA   1  16.474 -10.538  31.636
    6   2HB   ALA   1          2HB       ALA   1  15.734 -11.422  30.301
    7   3HB   ALA   1          1HB       ALA   1  17.286 -11.951  30.953
    8    H    GLU   2           H        GLU   2  15.757 -10.456  27.809
    9    HA   GLU   2           HA       GLU   2  17.369 -11.136  25.669
   10   1HB   GLU   2          2HB       GLU   2  17.080 -13.289  27.552
   11   2HB   GLU   2          1HB       GLU   2  16.327 -13.729  26.020
   12   1HG   GLU   2          2HG       GLU   2  18.350 -13.370  24.817
   13   2HG   GLU   2          1HG       GLU   2  19.106 -12.566  26.193
   14    H    GLY   3           H        GLY   3  15.149  -9.604  25.974
   15   1HA   GLY   3          2HA       GLY   3  13.507 -10.334  23.851
   16   2HA   GLY   3          1HA       GLY   3  12.688 -10.840  25.328
   17    H    ASP   4           H        ASP   4  13.054  -8.345  23.173
   18    HA   ASP   4           HA       ASP   4  11.988  -6.389  25.107
   19   1HB   ASP   4          2HB       ASP   4  14.471  -6.146  24.109
   20   2HB   ASP   4          1HB       ASP   4  13.559  -5.350  22.826
   21    H    ASP   5           H        ASP   5  12.567  -6.539  21.614
   22    HA   ASP   5           HA       ASP   5   9.827  -6.730  20.915
   23   1HB   ASP   5          2HB       ASP   5  10.197  -4.295  21.775
   24   2HB   ASP   5          1HB       ASP   5  10.981  -4.060  20.213
   25    HA   PRO   6           HA       PRO   6  12.367  -7.846  17.371
   26   1HB   PRO   6          2HB       PRO   6  10.621  -9.610  16.296
   27   2HB   PRO   6          1HB       PRO   6  11.671  -9.994  17.668
   28   1HG   PRO   6          2HG       PRO   6   8.774  -9.553  17.608
   29   2HG   PRO   6          1HG       PRO   6   9.764 -10.389  18.813
   30   1HD   PRO   6          2HD       PRO   6   8.699  -7.735  18.950
   31   2HD   PRO   6          1HD       PRO   6   9.702  -8.575  20.147
   32    H    ALA   7           H        ALA   7   9.937  -5.755  17.520
   33    HA   ALA   7           HA       ALA   7   9.117  -5.761  14.723
   34   1HB   ALA   7          3HB       ALA   7   8.290  -4.324  17.198
   35   2HB   ALA   7          2HB       ALA   7   7.988  -3.542  15.645
   36   3HB   ALA   7          1HB       ALA   7   7.302  -5.134  15.981
   37    H    LYS   8           H        LYS   8  11.466  -4.268  16.755
   38    HA   LYS   8           HA       LYS   8  11.890  -1.891  15.233
   39   1HB   LYS   8          2HB       LYS   8  13.921  -3.266  16.979
   40   2HB   LYS   8          1HB       LYS   8  13.767  -1.557  16.623
   41   1HG   LYS   8          2HG       LYS   8  11.430  -2.809  17.968
   42   2HG   LYS   8          1HG       LYS   8  12.909  -2.683  18.912
   43   1HD   LYS   8          2HD       LYS   8  11.311  -0.713  19.093
   44   2HD   LYS   8          1HD       LYS   8  12.989  -0.332  18.736
   45   1HE   LYS   8          2HE       LYS   8  11.385   0.992  17.378
   46   2HE   LYS   8          1HE       LYS   8  12.458   0.012  16.380
   47   1HZ   LYS   8          3HZ       LYS   8  10.462  -1.680  16.660
   48   2HZ   LYS   8          2HZ       LYS   8   9.585  -0.239  16.857
   49   3HZ   LYS   8          1HZ       LYS   8  10.481  -0.506  15.437
   50    H    ALA   9           H        ALA   9  13.058  -5.168  15.090
   51    HA   ALA   9           HA       ALA   9  15.377  -5.029  13.650
   52   1HB   ALA   9          2HB       ALA   9  13.069  -6.949  13.460
   53   2HB   ALA   9          1HB       ALA   9  14.540  -7.164  12.506
   54   3HB   ALA   9          3HB       ALA   9  14.623  -7.170  14.269
   55    H    ALA  10           H        ALA  10  12.165  -4.252  12.546
   56    HA   ALA  10           HA       ALA  10  12.985  -4.110   9.744
   57   1HB   ALA  10          2HB       ALA  10  10.652  -4.847  10.770
   58   2HB   ALA  10          1HB       ALA  10  10.340  -3.112  10.695
   59   3HB   ALA  10          3HB       ALA  10  10.747  -3.999   9.225
   60    H    PHE  11           H        PHE  11  11.731  -1.912  12.256
   61    HA   PHE  11           HA       PHE  11  11.830   0.466  10.831
   62   1HB   PHE  11          2HB       PHE  11  10.995  -0.052  13.234
   63   2HB   PHE  11          1HB       PHE  11  12.633   0.357  13.714
   64    HD1  PHE  11           HD1      PHE  11  13.509   2.669  13.357
   65    HD2  PHE  11           HD2      PHE  11   9.444   1.637  12.464
   66    HE1  PHE  11           HE1      PHE  11  12.912   5.050  13.277
   67    HE2  PHE  11           HE2      PHE  11   8.867   4.026  12.387
   68    HZ   PHE  11           HZ       PHE  11  10.596   5.731  12.792
   69    H    ASN  12           H        ASN  12  14.401  -1.313  12.419
   70    HA   ASN  12           HA       ASN  12  16.381   0.737  12.163
   71   1HB   ASN  12          2HB       ASN  12  16.503  -1.099  13.831
   72   2HB   ASN  12          1HB       ASN  12  16.769  -2.238  12.510
   73   1HD2  ASN  12          2HD2      ASN  12  20.164  -1.589  12.280
   74   2HD2  ASN  12          1HD2      ASN  12  18.802  -2.579  11.887
   75    H    SER  13           H        SER  13  15.273  -1.931  10.198
   76    HA   SER  13           HA       SER  13  17.368  -2.176   8.377
   77   1HB   SER  13          2HB       SER  13  14.563  -2.362   7.410
   78   2HB   SER  13          1HB       SER  13  15.923  -3.453   7.142
   79    HG   SER  13           HG       SER  13  15.483  -4.485   8.951
   80    H    LEU  14           H        LEU  14  15.051   0.360   8.761
   81    HA   LEU  14           HA       LEU  14  15.395   1.361   6.062
   82   1HB   LEU  14          2HB       LEU  14  14.155   3.034   8.186
   83   2HB   LEU  14          1HB       LEU  14  13.718   2.862   6.491
   84    HG   LEU  14           HG       LEU  14  13.226   0.830   8.681
   85   1HD1  LEU  14          3HD1      LEU  14  11.366   2.695   7.202
   86   2HD1  LEU  14          2HD1      LEU  14  10.812   1.319   8.155
   87   3HD1  LEU  14          1HD1      LEU  14  11.685   2.639   8.939
   88   1HD2  LEU  14          2HD2      LEU  14  13.694  -0.195   6.457
   89   2HD2  LEU  14          1HD2      LEU  14  12.050  -0.491   7.025
   90   3HD2  LEU  14          3HD2      LEU  14  12.347   0.728   5.786
   91    H    GLN  15           H        GLN  15  16.310   2.309   9.347
   92    HA   GLN  15           HA       GLN  15  17.637   4.708   8.627
   93   1HB   GLN  15          2HB       GLN  15  16.839   4.294  10.882
   94   2HB   GLN  15          1HB       GLN  15  17.941   2.935  11.047
   95   1HG   GLN  15          2HG       GLN  15  19.039   4.703  12.138
   96   2HG   GLN  15          1HG       GLN  15  19.807   4.638  10.554
   97   1HE2  GLN  15          2HD2      GLN  15  19.177   8.157  10.903
   98   2HE2  GLN  15          1HD2      GLN  15  20.290   6.922  11.373
   99    H    ALA  16           H        ALA  16  18.685   1.368   8.959
  100    HA   ALA  16           HA       ALA  16  21.450   1.716   8.902
  101   1HB   ALA  16          2HB       ALA  16  19.654  -0.450   8.724
  102   2HB   ALA  16          1HB       ALA  16  20.725  -0.570   7.326
  103   3HB   ALA  16          3HB       ALA  16  21.403  -0.517   8.953
  104    H    SER  17           H        SER  17  19.119   2.204   6.444
  105    HA   SER  17           HA       SER  17  20.721   1.870   4.139
  106   1HB   SER  17          2HB       SER  17  18.947   2.785   2.966
  107   2HB   SER  17          1HB       SER  17  18.144   2.169   4.405
  108    HG   SER  17           HG       SER  17  18.564   4.782   3.571
  109    H    ALA  18           H        ALA  18  20.780   4.239   6.593
  110    HA   ALA  18           HA       ALA  18  21.582   6.520   5.138
  111   1HB   ALA  18          2HB       ALA  18  21.889   5.636   7.987
  112   2HB   ALA  18          1HB       ALA  18  22.667   7.113   7.417
  113   3HB   ALA  18          3HB       ALA  18  20.912   6.949   7.327
  114    H    THR  19           H        THR  19  23.210   3.584   5.717
  115    HA   THR  19           HA       THR  19  25.874   4.783   5.455
  116    HB   THR  19           HB       THR  19  26.721   2.554   5.892
  117    HG1  THR  19           HG1      THR  19  24.056   1.638   6.110
  118   1HG2  THR  19          3HG2      THR  19  24.850   3.899   7.695
  119   2HG2  THR  19          2HG2      THR  19  25.021   2.177   8.042
  120   3HG2  THR  19          1HG2      THR  19  26.446   3.219   8.028
  121    H    GLU  20           H        GLU  20  24.113   5.051   3.250
  122    HA   GLU  20           HA       GLU  20  24.866   3.079   1.271
  123   1HB   GLU  20          2HB       GLU  20  22.814   5.019   1.583
  124   2HB   GLU  20          1HB       GLU  20  23.709   5.447   0.134
  125   1HG   GLU  20          2HG       GLU  20  23.343   3.182  -0.772
  126   2HG   GLU  20          1HG       GLU  20  22.448   2.749   0.691
  127    H    TYR  21           H        TYR  21  26.412   5.654   2.633
  128    HA   TYR  21           HA       TYR  21  27.843   6.381   0.166
  129   1HB   TYR  21          2HB       TYR  21  27.445   7.771   2.792
  130   2HB   TYR  21          1HB       TYR  21  28.705   8.263   1.670
  131    HD1  TYR  21           HD1      TYR  21  25.083   7.963   2.213
  132    HD2  TYR  21           HD2      TYR  21  28.134   9.420  -0.403
  133    HE1  TYR  21           HE1      TYR  21  23.404   9.263   0.969
  134    HE2  TYR  21           HE2      TYR  21  26.447  10.723  -1.635
  135    HH   TYR  21           HH       TYR  21  24.124  10.825  -2.026
  136    H    ILE  22           H        ILE  22  28.166   4.692   3.140
  137    HA   ILE  22           HA       ILE  22  31.065   4.906   3.180
  138    HB   ILE  22           HB       ILE  22  29.078   3.433   4.907
  139   1HG1  ILE  22          2HG1      ILE  22  29.312   6.014   5.002
  140   2HG1  ILE  22          1HG1      ILE  22  29.365   5.128   6.533
  141   1HG2  ILE  22          3HG2      ILE  22  32.077   3.371   4.932
  142   2HG2  ILE  22          2HG2      ILE  22  31.203   3.262   6.460
  143   3HG2  ILE  22          1HG2      ILE  22  30.926   2.061   5.196
  144   1HD1  ILE  22          1HD1      ILE  22  32.045   5.291   5.622
  145   2HD1  ILE  22          3HD1      ILE  22  31.332   6.891   5.399
  146   3HD1  ILE  22          2HD1      ILE  22  31.305   6.124   6.986
  147    H    GLY  23           H        GLY  23  28.863   3.024   1.504
  148   1HA   GLY  23          2HA       GLY  23  30.196   0.487   1.605
  149   2HA   GLY  23          1HA       GLY  23  28.956   0.975   0.450
  150    H    TYR  24           H        TYR  24  30.214   3.247  -0.617
  151    HA   TYR  24           HA       TYR  24  31.950   2.041  -2.537
  152   1HB   TYR  24          2HB       TYR  24  31.453   4.973  -2.046
  153   2HB   TYR  24          1HB       TYR  24  32.101   4.248  -3.508
  154    HD1  TYR  24           HD2      TYR  24  30.610   2.561  -4.757
  155    HD2  TYR  24           HD1      TYR  24  29.108   5.277  -1.810
  156    HE1  TYR  24           HE2      TYR  24  28.334   2.284  -5.647
  157    HE2  TYR  24           HE1      TYR  24  26.842   4.987  -2.710
  158    HH   TYR  24           HH       TYR  24  26.123   2.622  -5.194
  159    H    ALA  25           H        ALA  25  32.416   3.909   0.378
  160    HA   ALA  25           HA       ALA  25  35.092   4.696   0.017
  161   1HB   ALA  25          3HB       ALA  25  33.345   5.296   1.876
  162   2HB   ALA  25          2HB       ALA  25  34.055   3.914   2.714
  163   3HB   ALA  25          1HB       ALA  25  35.068   5.285   2.258
  164    H    TRP  26           H        TRP  26  33.676   1.627   0.742
  165    HA   TRP  26           HA       TRP  26  35.843   0.348   2.000
  166   1HB   TRP  26          2HB       TRP  26  33.299  -0.407   0.906
  167   2HB   TRP  26          1HB       TRP  26  34.524  -1.546   0.377
  168    HD1  TRP  26          1HD       TRP  26  32.348  -0.769   3.289
  169    HE1  TRP  26          1HE       TRP  26  33.029  -2.186   5.294
  170    HE3  TRP  26          3HE       TRP  26  36.829  -2.589   1.606
  171    HZ2  TRP  26          2HZ       TRP  26  35.139  -3.858   6.095
  172    HZ3  TRP  26          3HZ       TRP  26  38.128  -4.103   3.050
  173    HH2  TRP  26           HH2      TRP  26  37.293  -4.732   5.274
  174    H    ALA  27           H        ALA  27  35.072   0.897  -1.389
  175    HA   ALA  27           HA       ALA  27  37.115  -0.766  -2.469
  176   1HB   ALA  27          3HB       ALA  27  35.130   1.122  -3.457
  177   2HB   ALA  27          2HB       ALA  27  36.656   1.232  -4.337
  178   3HB   ALA  27          1HB       ALA  27  35.806  -0.311  -4.235
  179    H    MET  28           H        MET  28  36.896   2.741  -1.934
  180    HA   MET  28           HA       MET  28  39.446   3.430  -2.840
  181   1HB   MET  28          2HB       MET  28  37.328   4.685  -1.273
  182   2HB   MET  28          1HB       MET  28  38.923   5.188  -0.752
  183   1HG   MET  28          2HG       MET  28  37.761   6.581  -2.583
  184   2HG   MET  28          1HG       MET  28  39.443   6.151  -2.842
  185   1HE   MET  28          3HE       MET  28  37.797   7.317  -4.866
  186   2HE   MET  28          2HE       MET  28  39.025   6.524  -5.852
  187   3HE   MET  28          1HE       MET  28  37.319   6.293  -6.228
  188    H    VAL  29           H        VAL  29  38.324   2.451   0.363
  189    HA   VAL  29           HA       VAL  29  40.613   2.850   1.861
  190    HB   VAL  29           HB       VAL  29  38.495   0.713   2.001
  191   1HG1  VAL  29          3HG1      VAL  29  40.861   1.206   3.743
  192   2HG1  VAL  29          2HG1      VAL  29  39.340   0.711   4.491
  193   3HG1  VAL  29          1HG1      VAL  29  40.100  -0.316   3.273
  194   1HG2  VAL  29          3HG2      VAL  29  38.372   3.424   2.488
  195   2HG2  VAL  29          2HG2      VAL  29  37.250   2.210   3.106
  196   3HG2  VAL  29          1HG2      VAL  29  38.615   2.736   4.095
  197    H    VAL  30           H        VAL  30  39.907   0.395  -0.519
  198    HA   VAL  30           HA       VAL  30  42.102  -1.319   0.186
  199    HB   VAL  30           HB       VAL  30  40.309  -1.181  -2.234
  200   1HG1  VAL  30          3HG1      VAL  30  42.508  -3.056  -1.471
  201   2HG1  VAL  30          2HG1      VAL  30  41.143  -3.623  -2.436
  202   3HG1  VAL  30          1HG1      VAL  30  42.163  -2.313  -3.032
  203   1HG2  VAL  30          2HG2      VAL  30  40.038  -2.324   0.434
  204   2HG2  VAL  30          1HG2      VAL  30  38.811  -2.025  -0.799
  205   3HG2  VAL  30          3HG2      VAL  30  39.772  -3.505  -0.851
  206    H    VAL  31           H        VAL  31  41.472   1.263  -2.126
  207    HA   VAL  31           HA       VAL  31  43.859   0.934  -3.631
  208    HB   VAL  31           HB       VAL  31  41.969   3.256  -3.305
  209   1HG1  VAL  31          3HG1      VAL  31  44.551   3.176  -4.516
  210   2HG1  VAL  31          2HG1      VAL  31  43.328   3.393  -5.768
  211   3HG1  VAL  31          1HG1      VAL  31  43.413   4.520  -4.412
  212   1HG2  VAL  31          3HG2      VAL  31  41.370   0.915  -4.418
  213   2HG2  VAL  31          2HG2      VAL  31  40.788   2.441  -5.090
  214   3HG2  VAL  31          1HG2      VAL  31  42.195   1.645  -5.797
  215    H    ILE  32           H        ILE  32  43.058   2.479  -0.665
  216    HA   ILE  32           HA       ILE  32  45.381   4.190  -0.568
  217    HB   ILE  32           HB       ILE  32  43.414   3.367   1.568
  218   1HG1  ILE  32          2HG1      ILE  32  43.615   5.858  -0.132
  219   2HG1  ILE  32          1HG1      ILE  32  42.368   4.617  -0.234
  220   1HG2  ILE  32          2HG2      ILE  32  45.550   4.074   2.533
  221   2HG2  ILE  32          1HG2      ILE  32  45.483   5.568   1.594
  222   3HG2  ILE  32          3HG2      ILE  32  44.281   5.261   2.850
  223   1HD1  ILE  32          3HD1      ILE  32  42.902   6.330   2.203
  224   2HD1  ILE  32          2HD1      ILE  32  41.618   6.619   1.027
  225   3HD1  ILE  32          1HD1      ILE  32  41.599   5.156   2.013
  226    H    VAL  33           H        VAL  33  44.620   0.915   0.237
  227    HA   VAL  33           HA       VAL  33  46.839   0.573   2.058
  228    HB   VAL  33           HB       VAL  33  44.657  -1.144   0.934
  229   1HG1  VAL  33          2HG1      VAL  33  47.249  -2.070   2.011
  230   2HG1  VAL  33          1HG1      VAL  33  45.800  -2.891   2.597
  231   3HG1  VAL  33          3HG1      VAL  33  46.147  -2.840   0.869
  232   1HG2  VAL  33          3HG2      VAL  33  45.489  -0.191   3.655
  233   2HG2  VAL  33          2HG2      VAL  33  43.950   0.036   2.821
  234   3HG2  VAL  33          1HG2      VAL  33  44.385  -1.554   3.455
  235    H    GLY  34           H        GLY  34  46.021  -0.072  -1.305
  236   1HA   GLY  34          2HA       GLY  34  48.258  -1.718  -1.913
  237   2HA   GLY  34          1HA       GLY  34  47.258  -0.856  -3.084
  238    H    ALA  35           H        ALA  35  47.627   1.725  -2.663
  239    HA   ALA  35           HA       ALA  35  50.054   2.403  -3.790
  240   1HB   ALA  35          3HB       ALA  35  48.098   3.935  -2.107
  241   2HB   ALA  35          2HB       ALA  35  49.606   4.692  -2.626
  242   3HB   ALA  35          1HB       ALA  35  48.457   4.101  -3.827
  243    H    THR  36           H        THR  36  49.264   1.763  -0.473
  244    HA   THR  36           HA       THR  36  51.649   2.847   0.696
  245    HB   THR  36           HB       THR  36  49.487   0.973   1.643
  246    HG1  THR  36           HG1      THR  36  50.173   3.673   2.107
  247   1HG2  THR  36          1HG2      THR  36  51.953   1.884   3.108
  248   2HG2  THR  36          3HG2      THR  36  50.489   1.362   3.944
  249   3HG2  THR  36          2HG2      THR  36  51.353   0.237   2.892
  250    H    ILE  37           H        ILE  37  50.543  -0.445  -0.107
  251    HA   ILE  37           HA       ILE  37  52.910  -1.767   0.699
  252    HB   ILE  37           HB       ILE  37  50.809  -2.560  -1.310
  253   1HG1  ILE  37          2HG1      ILE  37  51.151  -3.320   1.576
  254   2HG1  ILE  37          1HG1      ILE  37  49.983  -2.151   0.975
  255   1HG2  ILE  37          1HG2      ILE  37  53.169  -4.009  -0.198
  256   2HG2  ILE  37          3HG2      ILE  37  51.690  -4.907  -0.546
  257   3HG2  ILE  37          2HG2      ILE  37  52.509  -4.023  -1.835
  258   1HD1  ILE  37          3HD1      ILE  37  49.436  -4.296  -0.612
  259   2HD1  ILE  37          2HD1      ILE  37  49.931  -5.100   0.879
  260   3HD1  ILE  37          1HD1      ILE  37  48.596  -3.945   0.900
  261    H    GLY  38           H        GLY  38  52.025  -0.044  -2.181
  262   1HA   GLY  38          2HA       GLY  38  53.943  -1.108  -3.974
  263   2HA   GLY  38          1HA       GLY  38  53.156   0.464  -4.113
  264    H    ILE  39           H        ILE  39  53.944   1.887  -2.086
  265    HA   ILE  39           HA       ILE  39  56.631   2.570  -2.704
  266    HB   ILE  39           HB       ILE  39  54.839   3.470  -0.450
  267   1HG1  ILE  39          2HG1      ILE  39  55.325   5.326  -2.641
  268   2HG1  ILE  39          1HG1      ILE  39  54.524   3.854  -3.179
  269   1HG2  ILE  39          3HG2      ILE  39  57.392   4.604  -1.559
  270   2HG2  ILE  39          2HG2      ILE  39  56.317   5.468  -0.459
  271   3HG2  ILE  39          1HG2      ILE  39  57.116   3.985   0.068
  272   1HD1  ILE  39          2HD1      ILE  39  53.137   4.421  -0.895
  273   2HD1  ILE  39          1HD1      ILE  39  53.508   6.038  -1.498
  274   3HD1  ILE  39          3HD1      ILE  39  52.632   4.894  -2.518
  275    H    LYS  40           H        LYS  40  55.111   1.094   0.161
  276    HA   LYS  40           HA       LYS  40  57.318   0.905   1.810
  277   1HB   LYS  40          2HB       LYS  40  54.798   0.211   2.106
  278   2HB   LYS  40          1HB       LYS  40  55.400  -1.370   1.628
  279   1HG   LYS  40          2HG       LYS  40  55.971  -1.664   3.771
  280   2HG   LYS  40          1HG       LYS  40  57.238  -0.469   3.509
  281   1HD   LYS  40          2HD       LYS  40  54.467   0.467   4.100
  282   2HD   LYS  40          1HD       LYS  40  55.441  -0.157   5.430
  283   1HE   LYS  40          2HE       LYS  40  55.896   2.272   3.712
  284   2HE   LYS  40          1HE       LYS  40  55.895   2.146   5.470
  285   1HZ   LYS  40          2HZ       LYS  40  57.934   0.667   5.117
  286   2HZ   LYS  40          1HZ       LYS  40  58.003   1.362   3.569
  287   3HZ   LYS  40          3HZ       LYS  40  58.114   2.347   4.945
  288    H    LEU  41           H        LEU  41  56.253  -1.284  -0.758
  289    HA   LEU  41           HA       LEU  41  58.170  -3.304  -0.394
  290   1HB   LEU  41          2HB       LEU  41  56.424  -2.403  -2.632
  291   2HB   LEU  41          1HB       LEU  41  57.723  -3.528  -3.004
  292    HG   LEU  41           HG       LEU  41  55.542  -3.921  -0.950
  293   1HD1  LEU  41          1HD1      LEU  41  55.597  -4.396  -3.747
  294   2HD1  LEU  41          3HD1      LEU  41  55.620  -5.962  -2.933
  295   3HD1  LEU  41          2HD1      LEU  41  54.330  -4.807  -2.588
  296   1HD2  LEU  41          1HD2      LEU  41  58.109  -5.272  -1.329
  297   2HD2  LEU  41          3HD2      LEU  41  56.989  -5.327   0.033
  298   3HD2  LEU  41          2HD2      LEU  41  56.732  -6.373  -1.364
  299    H    PHE  42           H        PHE  42  58.359  -0.193  -1.980
  300    HA   PHE  42           HA       PHE  42  60.747  -0.697  -3.456
  301   1HB   PHE  42          2HB       PHE  42  58.965   1.163  -3.747
  302   2HB   PHE  42          1HB       PHE  42  59.902   2.025  -2.535
  303    HD1  PHE  42           HD2      PHE  42  60.036   0.490  -5.897
  304    HD2  PHE  42           HD1      PHE  42  61.954   3.070  -3.089
  305    HE1  PHE  42           HE2      PHE  42  61.590   1.247  -7.654
  306    HE2  PHE  42           HE1      PHE  42  63.507   3.826  -4.845
  307    HZ   PHE  42           HZ       PHE  42  63.327   2.916  -7.127
  308    H    LYS  43           H        LYS  43  60.149   1.132  -0.449
  309    HA   LYS  43           HA       LYS  43  62.771   1.813   0.143
  310   1HB   LYS  43          2HB       LYS  43  60.389   1.287   1.889
  311   2HB   LYS  43          1HB       LYS  43  61.914   1.926   2.509
  312   1HG   LYS  43          2HG       LYS  43  61.026   3.296   0.094
  313   2HG   LYS  43          1HG       LYS  43  59.842   3.388   1.381
  314   1HD   LYS  43          2HD       LYS  43  61.475   4.354   2.910
  315   2HD   LYS  43          1HD       LYS  43  62.758   4.127   1.726
  316   1HE   LYS  43          2HE       LYS  43  60.772   6.278   1.966
  317   2HE   LYS  43          1HE       LYS  43  62.361   6.282   1.203
  318   1HZ   LYS  43          1HZ       LYS  43  59.876   5.164   0.014
  319   2HZ   LYS  43          3HZ       LYS  43  60.595   6.642  -0.404
  320   3HZ   LYS  43          2HZ       LYS  43  61.406   5.184  -0.723
  321    H    LYS  44           H        LYS  44  61.286  -1.291   0.287
  322    HA   LYS  44           HA       LYS  44  63.217  -2.353   2.190
  323   1HB   LYS  44          2HB       LYS  44  60.602  -3.004   1.514
  324   2HB   LYS  44          1HB       LYS  44  61.560  -4.305   0.823
  325   1HG   LYS  44          2HG       LYS  44  61.615  -3.410   3.715
  326   2HG   LYS  44          1HG       LYS  44  60.817  -4.846   3.078
  327   1HD   LYS  44          2HD       LYS  44  62.879  -5.785   3.802
  328   2HD   LYS  44          1HD       LYS  44  63.240  -5.395   2.117
  329   1HE   LYS  44          2HE       LYS  44  64.912  -4.719   4.040
  330   2HE   LYS  44          1HE       LYS  44  64.619  -3.574   2.729
  331   1HZ   LYS  44          3HZ       LYS  44  63.078  -3.542   5.264
  332   2HZ   LYS  44          2HZ       LYS  44  64.530  -2.683   5.067
  333   3HZ   LYS  44          1HZ       LYS  44  63.187  -2.321   4.093
  334    H    PHE  45           H        PHE  45  62.214  -3.123  -1.152
  335    HA   PHE  45           HA       PHE  45  64.338  -4.877  -1.708
  336   1HB   PHE  45          2HB       PHE  45  62.341  -3.351  -3.293
  337   2HB   PHE  45          1HB       PHE  45  63.715  -4.028  -4.136
  338    HD1  PHE  45           HD2      PHE  45  64.150  -6.533  -3.995
  339    HD2  PHE  45           HD1      PHE  45  60.514  -4.740  -2.591
  340    HE1  PHE  45           HE2      PHE  45  63.039  -8.722  -4.037
  341    HE2  PHE  45           HE1      PHE  45  59.425  -6.940  -2.641
  342    HZ   PHE  45           HZ       PHE  45  60.681  -8.930  -3.362
  343    H    THR  46           H        THR  46  64.005  -1.389  -2.079
  344    HA   THR  46           HA       THR  46  66.570  -1.146  -3.403
  345    HB   THR  46           HB       THR  46  66.034   1.183  -3.541
  346    HG1  THR  46           HG1      THR  46  65.134   1.732  -1.648
  347   1HG2  THR  46          1HG2      THR  46  64.491  -0.846  -4.645
  348   2HG2  THR  46          3HG2      THR  46  63.313   0.327  -4.049
  349   3HG2  THR  46          2HG2      THR  46  64.564   0.833  -5.188
  350    H    SER  47           H        SER  47  65.971  -1.913  -0.370
  351    HA   SER  47           HA       SER  47  68.377  -0.668   0.622
  352   1HB   SER  47          2HB       SER  47  65.803   0.483   1.218
  353   2HB   SER  47          1HB       SER  47  66.567  -0.102   2.690
  354    HG   SER  47           HG       SER  47  67.643   1.704   0.764
  355    H    LYS  48           H        LYS  48  67.646  -3.353   0.141
  356    HA   LYS  48           HA       LYS  48  66.650  -4.820   2.243
  357   1HB   LYS  48          2HB       LYS  48  68.572  -5.333   0.049
  358   2HB   LYS  48          1HB       LYS  48  68.620  -6.463   1.398
  359   1HG   LYS  48          2HG       LYS  48  66.255  -6.976   1.098
  360   2HG   LYS  48          1HG       LYS  48  66.134  -5.762  -0.183
  361   1HD   LYS  48          2HD       LYS  48  67.846  -7.053  -1.465
  362   2HD   LYS  48          1HD       LYS  48  67.779  -8.295  -0.223
  363   1HE   LYS  48          2HE       LYS  48  65.182  -8.218  -0.758
  364   2HE   LYS  48          1HE       LYS  48  65.749  -7.563  -2.293
  365   1HZ   LYS  48          3HZ       LYS  48  66.734 -10.096  -1.108
  366   2HZ   LYS  48          2HZ       LYS  48  65.481 -10.009  -2.252
  367   3HZ   LYS  48          1HZ       LYS  48  67.050  -9.500  -2.663
  368    H    ALA  49           H        ALA  49  70.051  -3.954   1.680
  369    HA   ALA  49           HA       ALA  49  71.857  -3.845   3.088
  370   1HB   ALA  49          3HB       ALA  49  69.578  -2.685   4.556
  371   2HB   ALA  49          2HB       ALA  49  70.952  -3.163   5.555
  372   3HB   ALA  49          1HB       ALA  49  71.178  -2.015   4.234
  373    H    SER  50           H        SER  50  72.332  -6.064   3.014
  374    HA   SER  50           HA       SER  50  72.522  -7.374   5.484
  375   1HB   SER  50          2HB       SER  50  69.969  -7.587   4.622
  376   2HB   SER  50          1HB       SER  50  70.678  -8.997   3.843
  377    HG   SER  50           HG       SER  50  70.346  -9.844   5.778
   
  No H/Q in entry =         377
  Start of MODEL    8
    1   1H    ALA   1          2H        ALA   1  54.821   6.166  18.113
    2   2H    ALA   1          1H        ALA   1  53.442   7.122  18.378
    3   3H    ALA   1          3H        ALA   1  54.473   6.749  19.671
    4    HA   ALA   1           HA       ALA   1  53.881   4.473  19.629
    5   1HB   ALA   1          1HB       ALA   1  52.294   6.019  20.786
    6   2HB   ALA   1          3HB       ALA   1  51.363   6.134  19.292
    7   3HB   ALA   1          2HB       ALA   1  51.487   4.588  20.134
    8    H    GLU   2           H        GLU   2  54.538   3.420  17.753
    9    HA   GLU   2           HA       GLU   2  54.204   2.152  15.873
   10   1HB   GLU   2          2HB       GLU   2  51.693   2.301  17.106
   11   2HB   GLU   2          1HB       GLU   2  51.402   2.675  15.408
   12   1HG   GLU   2          2HG       GLU   2  51.371   0.436  15.125
   13   2HG   GLU   2          1HG       GLU   2  53.128   0.552  15.230
   14    H    GLY   3           H        GLY   3  55.321   3.315  14.394
   15   1HA   GLY   3          2HA       GLY   3  55.715   4.623  12.556
   16   2HA   GLY   3          1HA       GLY   3  53.979   4.541  12.257
   17    H    ASP   4           H        ASP   4  55.977   6.777  12.059
   18    HA   ASP   4           HA       ASP   4  55.615   8.680  14.084
   19   1HB   ASP   4          2HB       ASP   4  57.100   8.601  11.852
   20   2HB   ASP   4          1HB       ASP   4  55.796   9.644  11.285
   21    H    ASP   5           H        ASP   5  53.499   7.600  11.567
   22    HA   ASP   5           HA       ASP   5  51.796   9.647  11.024
   23   1HB   ASP   5          2HB       ASP   5  51.699   7.083  10.454
   24   2HB   ASP   5          1HB       ASP   5  50.583   7.035  11.818
   25    HA   PRO   6           HA       PRO   6  50.453  10.487  15.276
   26   1HB   PRO   6          2HB       PRO   6  50.305  13.174  14.997
   27   2HB   PRO   6          1HB       PRO   6  51.814  12.313  15.335
   28   1HG   PRO   6          2HG       PRO   6  50.945  13.641  12.876
   29   2HG   PRO   6          1HG       PRO   6  52.572  13.172  13.390
   30   1HD   PRO   6          2HD       PRO   6  50.836  11.821  11.541
   31   2HD   PRO   6          1HD       PRO   6  52.484  11.382  12.026
   32    H    ALA   7           H        ALA   7  49.060  11.327  12.212
   33    HA   ALA   7           HA       ALA   7  46.671  12.552  13.029
   34   1HB   ALA   7          2HB       ALA   7  47.498  11.010  10.597
   35   2HB   ALA   7          1HB       ALA   7  45.818  11.511  10.802
   36   3HB   ALA   7          3HB       ALA   7  47.101  12.723  10.752
   37    H    LYS   8           H        LYS   8  47.712   9.296  13.350
   38    HA   LYS   8           HA       LYS   8  45.547   7.690  13.156
   39   1HB   LYS   8          2HB       LYS   8  46.515   6.311  14.833
   40   2HB   LYS   8          1HB       LYS   8  47.837   7.074  13.967
   41   1HG   LYS   8          2HG       LYS   8  48.214   8.635  15.733
   42   2HG   LYS   8          1HG       LYS   8  46.727   8.176  16.559
   43   1HD   LYS   8          2HD       LYS   8  49.331   6.672  16.343
   44   2HD   LYS   8          1HD       LYS   8  48.418   7.090  17.785
   45   1HE   LYS   8          2HE       LYS   8  47.780   4.936  15.752
   46   2HE   LYS   8          1HE       LYS   8  48.184   4.731  17.454
   47   1HZ   LYS   8          2HZ       LYS   8  45.801   6.270  16.626
   48   2HZ   LYS   8          1HZ       LYS   8  45.751   4.580  16.780
   49   3HZ   LYS   8          3HZ       LYS   8  46.131   5.541  18.124
   50    H    ALA   9           H        ALA   9  46.076  10.150  15.594
   51    HA   ALA   9           HA       ALA   9  43.874   9.376  17.267
   52   1HB   ALA   9          1HB       ALA   9  45.534  11.890  17.083
   53   2HB   ALA   9          3HB       ALA   9  44.237  11.671  18.260
   54   3HB   ALA   9          2HB       ALA   9  45.645  10.608  18.291
   55    H    ALA  10           H        ALA  10  44.374  12.306  15.295
   56    HA   ALA  10           HA       ALA  10  41.725  13.186  15.319
   57   1HB   ALA  10          3HB       ALA  10  43.968  13.610  13.353
   58   2HB   ALA  10          2HB       ALA  10  42.398  14.399  13.185
   59   3HB   ALA  10          1HB       ALA  10  43.394  14.710  14.608
   60    H    PHE  11           H        PHE  11  43.305  10.775  13.349
   61    HA   PHE  11           HA       PHE  11  41.386  10.586  11.278
   62   1HB   PHE  11          2HB       PHE  11  43.795   9.345  11.879
   63   2HB   PHE  11          1HB       PHE  11  42.620   8.045  11.980
   64    HD1  PHE  11           HD2      PHE  11  40.924   7.866  10.002
   65    HD2  PHE  11           HD1      PHE  11  44.662   9.946   9.761
   66    HE1  PHE  11           HE2      PHE  11  40.879   7.686   7.549
   67    HE2  PHE  11           HE1      PHE  11  44.599   9.759   7.312
   68    HZ   PHE  11           HZ       PHE  11  42.712   8.631   6.205
   69    H    ASN  12           H        ASN  12  41.715   8.901  14.376
   70    HA   ASN  12           HA       ASN  12  39.395   7.260  13.994
   71   1HB   ASN  12          2HB       ASN  12  41.461   6.905  15.545
   72   2HB   ASN  12          1HB       ASN  12  40.544   7.889  16.687
   73   1HD2  ASN  12          2HD2      ASN  12  38.596   5.222  17.703
   74   2HD2  ASN  12          1HD2      ASN  12  39.340   6.746  18.032
   75    H    SER  13           H        SER  13  40.062  10.275  15.729
   76    HA   SER  13           HA       SER  13  37.444  10.471  16.876
   77   1HB   SER  13          2HB       SER  13  38.779  13.014  16.626
   78   2HB   SER  13          1HB       SER  13  38.396  12.089  18.078
   79    HG   SER  13           HG       SER  13  40.718  12.001  16.476
   80    H    LEU  14           H        LEU  14  38.988  11.724  13.961
   81    HA   LEU  14           HA       LEU  14  36.891  13.517  13.264
   82   1HB   LEU  14          2HB       LEU  14  39.146  13.759  12.360
   83   2HB   LEU  14          1HB       LEU  14  38.993  12.205  11.547
   84    HG   LEU  14           HG       LEU  14  36.900  13.249  10.415
   85   1HD1  LEU  14          3HD1      LEU  14  36.773  15.253  11.860
   86   2HD1  LEU  14          2HD1      LEU  14  38.323  15.802  11.217
   87   3HD1  LEU  14          1HD1      LEU  14  36.921  15.676  10.155
   88   1HD2  LEU  14          2HD2      LEU  14  39.734  14.036   9.729
   89   2HD2  LEU  14          1HD2      LEU  14  38.729  12.782   8.991
   90   3HD2  LEU  14          3HD2      LEU  14  38.366  14.486   8.714
   91    H    GLN  15           H        GLN  15  37.626  10.167  12.400
   92    HA   GLN  15           HA       GLN  15  35.739   9.738  10.414
   93   1HB   GLN  15          2HB       GLN  15  37.447   8.101  11.051
   94   2HB   GLN  15          1HB       GLN  15  36.616   7.822  12.578
   95   1HG   GLN  15          2HG       GLN  15  34.564   7.272  11.051
   96   2HG   GLN  15          1HG       GLN  15  35.790   7.038   9.805
   97   1HE2  GLN  15          2HD2      GLN  15  36.063   3.742  10.899
   98   2HE2  GLN  15          1HD2      GLN  15  35.649   4.841   9.631
   99    H    ALA  16           H        ALA  16  35.339   9.806  13.909
  100    HA   ALA  16           HA       ALA  16  32.651   8.840  13.915
  101   1HB   ALA  16          1HB       ALA  16  34.246   8.790  15.868
  102   2HB   ALA  16          3HB       ALA  16  33.969  10.524  16.039
  103   3HB   ALA  16          2HB       ALA  16  32.628   9.394  16.234
  104    H    SER  17           H        SER  17  34.013  11.823  13.057
  105    HA   SER  17           HA       SER  17  31.478  13.250  13.528
  106   1HB   SER  17          2HB       SER  17  32.710  15.287  13.351
  107   2HB   SER  17          1HB       SER  17  33.613  14.225  14.426
  108    HG   SER  17           HG       SER  17  35.048  15.099  12.931
  109    H    ALA  18           H        ALA  18  33.739  12.214  11.074
  110    HA   ALA  18           HA       ALA  18  32.143  13.485   8.963
  111   1HB   ALA  18          1HB       ALA  18  34.914  12.349   9.093
  112   2HB   ALA  18          3HB       ALA  18  34.096  12.539   7.541
  113   3HB   ALA  18          2HB       ALA  18  34.391  13.949   8.562
  114    H    THR  19           H        THR  19  30.519  11.800   9.729
  115    HA   THR  19           HA       THR  19  30.922   9.074   9.037
  116    HB   THR  19           HB       THR  19  29.235  10.017  10.688
  117    HG1  THR  19           HG1      THR  19  28.543   8.054  10.577
  118   1HG2  THR  19          2HG2      THR  19  27.735  10.505   8.110
  119   2HG2  THR  19          1HG2      THR  19  26.925  10.299   9.661
  120   3HG2  THR  19          3HG2      THR  19  28.037  11.646   9.422
  121    H    GLU  20           H        GLU  20  30.626  11.701   7.026
  122    HA   GLU  20           HA       GLU  20  29.003  10.478   4.984
  123   1HB   GLU  20          2HB       GLU  20  30.022  13.065   5.566
  124   2HB   GLU  20          1HB       GLU  20  30.644  12.609   3.988
  125   1HG   GLU  20          2HG       GLU  20  28.311  12.118   3.246
  126   2HG   GLU  20          1HG       GLU  20  27.727  12.698   4.811
  127    H    TYR  21           H        TYR  21  32.012   9.811   6.075
  128    HA   TYR  21           HA       TYR  21  33.175   9.270   3.434
  129   1HB   TYR  21          2HB       TYR  21  34.257   9.576   6.193
  130   2HB   TYR  21          1HB       TYR  21  35.146   8.590   5.042
  131    HD1  TYR  21           HD2      TYR  21  33.466  11.913   5.299
  132    HD2  TYR  21           HD1      TYR  21  36.741   9.689   3.673
  133    HE1  TYR  21           HE2      TYR  21  34.411  13.980   4.350
  134    HE2  TYR  21           HE1      TYR  21  37.671  11.761   2.734
  135    HH   TYR  21           HH       TYR  21  36.220  14.317   2.101
  136    H    ILE  22           H        ILE  22  31.227   7.694   5.586
  137    HA   ILE  22           HA       ILE  22  32.538   5.089   5.390
  138    HB   ILE  22           HB       ILE  22  29.888   5.877   6.582
  139   1HG1  ILE  22          2HG1      ILE  22  32.631   5.621   7.898
  140   2HG1  ILE  22          1HG1      ILE  22  31.512   6.988   7.947
  141   1HG2  ILE  22          3HG2      ILE  22  29.948   3.524   5.971
  142   2HG2  ILE  22          2HG2      ILE  22  31.448   3.294   6.871
  143   3HG2  ILE  22          1HG2      ILE  22  29.957   3.693   7.729
  144   1HD1  ILE  22          3HD1      ILE  22  31.047   4.286   9.233
  145   2HD1  ILE  22          2HD1      ILE  22  31.525   5.764  10.071
  146   3HD1  ILE  22          1HD1      ILE  22  29.942   5.662   9.296
  147    H    GLY  23           H        GLY  23  32.425   5.066   3.114
  148   1HA   GLY  23          2HA       GLY  23  30.660   3.361   1.955
  149   2HA   GLY  23          1HA       GLY  23  29.895   4.936   1.734
  150    H    TYR  24           H        TYR  24  32.100   6.542   1.345
  151    HA   TYR  24           HA       TYR  24  32.927   5.727  -1.341
  152   1HB   TYR  24          2HB       TYR  24  33.515   8.357  -0.020
  153   2HB   TYR  24          1HB       TYR  24  33.403   7.993  -1.734
  154    HD1  TYR  24           HD1      TYR  24  31.107   7.215  -2.621
  155    HD2  TYR  24           HD2      TYR  24  31.620   9.240   1.120
  156    HE1  TYR  24           HE1      TYR  24  28.730   7.863  -2.632
  157    HE2  TYR  24           HE2      TYR  24  29.246   9.878   1.088
  158    HH   TYR  24           HH       TYR  24  27.447  10.224  -0.743
  159    H    ALA  25           H        ALA  25  34.234   6.393   1.836
  160    HA   ALA  25           HA       ALA  25  36.981   6.505   1.130
  161   1HB   ALA  25          2HB       ALA  25  36.122   7.331   3.278
  162   2HB   ALA  25          1HB       ALA  25  35.693   5.683   3.740
  163   3HB   ALA  25          3HB       ALA  25  37.387   6.124   3.520
  164    H    TRP  26           H        TRP  26  34.738   3.903   1.611
  165    HA   TRP  26           HA       TRP  26  36.554   1.795   2.117
  166   1HB   TRP  26          2HB       TRP  26  33.744   2.084   1.604
  167   2HB   TRP  26          1HB       TRP  26  34.386   0.787   0.609
  168    HD1  TRP  26          1HD       TRP  26  33.571   1.665   4.225
  169    HE1  TRP  26          1HE       TRP  26  33.922  -0.416   5.662
  170    HE3  TRP  26          3HE       TRP  26  35.861  -1.399   0.820
  171    HZ2  TRP  26          2HZ       TRP  26  35.002  -2.995   5.437
  172    HZ3  TRP  26          3HZ       TRP  26  36.529  -3.668   1.503
  173    HH2  TRP  26           HH2      TRP  26  36.105  -4.462   3.791
  174    H    ALA  27           H        ALA  27  35.142   3.046  -0.883
  175    HA   ALA  27           HA       ALA  27  36.336   1.232  -2.668
  176   1HB   ALA  27          2HB       ALA  27  34.719   3.560  -2.829
  177   2HB   ALA  27          1HB       ALA  27  36.109   3.809  -3.888
  178   3HB   ALA  27          3HB       ALA  27  35.078   2.394  -4.106
  179    H    MET  28           H        MET  28  37.560   4.069  -1.065
  180    HA   MET  28           HA       MET  28  39.939   4.234  -2.719
  181   1HB   MET  28          2HB       MET  28  38.664   5.848  -0.621
  182   2HB   MET  28          1HB       MET  28  40.411   5.801  -0.513
  183   1HG   MET  28          2HG       MET  28  38.748   6.717  -2.866
  184   2HG   MET  28          1HG       MET  28  39.776   7.702  -1.839
  185   1HE   MET  28          3HE       MET  28  42.165   7.335  -1.485
  186   2HE   MET  28          2HE       MET  28  43.307   6.899  -2.753
  187   3HE   MET  28          1HE       MET  28  42.365   8.382  -2.897
  188    H    VAL  29           H        VAL  29  39.081   3.260   0.571
  189    HA   VAL  29           HA       VAL  29  41.585   2.723   1.610
  190    HB   VAL  29           HB       VAL  29  38.944   1.334   2.030
  191   1HG1  VAL  29          2HG1      VAL  29  41.593   0.710   3.086
  192   2HG1  VAL  29          1HG1      VAL  29  40.375   0.967   4.337
  193   3HG1  VAL  29          3HG1      VAL  29  40.114  -0.253   3.089
  194   1HG2  VAL  29          1HG2      VAL  29  39.638   3.881   2.647
  195   2HG2  VAL  29          3HG2      VAL  29  38.458   2.928   3.550
  196   3HG2  VAL  29          2HG2      VAL  29  40.126   3.037   4.119
  197    H    VAL  30           H        VAL  30  39.511   0.654  -0.390
  198    HA   VAL  30           HA       VAL  30  41.063  -1.670  -0.309
  199    HB   VAL  30           HB       VAL  30  39.314  -0.651  -2.540
  200   1HG1  VAL  30          3HG1      VAL  30  40.530  -3.286  -1.873
  201   2HG1  VAL  30          2HG1      VAL  30  38.962  -3.235  -2.681
  202   3HG1  VAL  30          1HG1      VAL  30  40.369  -2.484  -3.434
  203   1HG2  VAL  30          2HG2      VAL  30  38.652  -1.312   0.144
  204   2HG2  VAL  30          1HG2      VAL  30  37.566  -0.908  -1.187
  205   3HG2  VAL  30          3HG2      VAL  30  38.024  -2.587  -0.903
  206    H    VAL  31           H        VAL  31  41.169   1.122  -2.494
  207    HA   VAL  31           HA       VAL  31  43.134   0.018  -4.227
  208    HB   VAL  31           HB       VAL  31  42.253   2.862  -3.785
  209   1HG1  VAL  31          2HG1      VAL  31  44.251   1.650  -5.538
  210   2HG1  VAL  31          1HG1      VAL  31  43.080   2.670  -6.377
  211   3HG1  VAL  31          3HG1      VAL  31  44.036   3.332  -5.049
  212   1HG2  VAL  31          1HG2      VAL  31  40.774   0.749  -4.749
  213   2HG2  VAL  31          3HG2      VAL  31  40.469   2.454  -5.090
  214   3HG2  VAL  31          2HG2      VAL  31  41.413   1.482  -6.222
  215    H    ILE  32           H        ILE  32  43.341   1.313  -1.107
  216    HA   ILE  32           HA       ILE  32  46.115   2.206  -1.471
  217    HB   ILE  32           HB       ILE  32  44.235   2.451   0.872
  218   1HG1  ILE  32          2HG1      ILE  32  45.269   4.446  -1.146
  219   2HG1  ILE  32          1HG1      ILE  32  43.609   3.891  -0.962
  220   1HG2  ILE  32          3HG2      ILE  32  47.068   3.436   0.525
  221   2HG2  ILE  32          2HG2      ILE  32  45.974   3.978   1.801
  222   3HG2  ILE  32          1HG2      ILE  32  46.477   2.287   1.728
  223   1HD1  ILE  32          3HD1      ILE  32  43.550   4.888   1.306
  224   2HD1  ILE  32          2HD1      ILE  32  45.190   5.493   1.061
  225   3HD1  ILE  32          1HD1      ILE  32  43.868   6.092   0.056
  226    H    VAL  33           H        VAL  33  44.206  -0.194   0.311
  227    HA   VAL  33           HA       VAL  33  46.015  -1.252   2.040
  228    HB   VAL  33           HB       VAL  33  44.186  -2.892   0.301
  229   1HG1  VAL  33          3HG1      VAL  33  45.722  -4.155   1.701
  230   2HG1  VAL  33          2HG1      VAL  33  45.182  -3.250   3.116
  231   3HG1  VAL  33          1HG1      VAL  33  44.063  -4.324   2.275
  232   1HG2  VAL  33          3HG2      VAL  33  43.566  -0.821   2.257
  233   2HG2  VAL  33          2HG2      VAL  33  42.510  -1.639   1.101
  234   3HG2  VAL  33          1HG2      VAL  33  42.850  -2.381   2.665
  235    H    GLY  34           H        GLY  34  45.807  -1.863  -1.444
  236   1HA   GLY  34          2HA       GLY  34  48.081  -3.697  -1.344
  237   2HA   GLY  34          1HA       GLY  34  47.124  -3.290  -2.771
  238    H    ALA  35           H        ALA  35  47.276  -0.674  -3.090
  239    HA   ALA  35           HA       ALA  35  49.746  -0.134  -4.204
  240   1HB   ALA  35          3HB       ALA  35  47.397   1.199  -4.112
  241   2HB   ALA  35          2HB       ALA  35  48.363   2.201  -3.027
  242   3HB   ALA  35          1HB       ALA  35  48.902   1.921  -4.684
  243    H    THR  36           H        THR  36  48.704   0.139  -0.903
  244    HA   THR  36           HA       THR  36  50.798   1.763   0.101
  245    HB   THR  36           HB       THR  36  48.944  -0.257   1.359
  246    HG1  THR  36           HG1      THR  36  48.311   1.942   0.573
  247   1HG2  THR  36          2HG2      THR  36  51.039  -0.213   2.661
  248   2HG2  THR  36          1HG2      THR  36  50.899   1.542   2.804
  249   3HG2  THR  36          3HG2      THR  36  49.690   0.497   3.551
  250    H    ILE  37           H        ILE  37  50.340  -1.755  -0.029
  251    HA   ILE  37           HA       ILE  37  52.776  -2.513   1.138
  252    HB   ILE  37           HB       ILE  37  50.994  -3.888  -0.860
  253   1HG1  ILE  37          2HG1      ILE  37  51.305  -4.158   2.115
  254   2HG1  ILE  37          1HG1      ILE  37  49.943  -3.430   1.271
  255   1HG2  ILE  37          3HG2      ILE  37  53.306  -4.789  -0.943
  256   2HG2  ILE  37          2HG2      ILE  37  53.186  -5.148   0.780
  257   3HG2  ILE  37          1HG2      ILE  37  52.115  -5.956  -0.367
  258   1HD1  ILE  37          2HD1      ILE  37  49.521  -5.632   0.172
  259   2HD1  ILE  37          1HD1      ILE  37  50.800  -6.330   1.166
  260   3HD1  ILE  37          3HD1      ILE  37  49.345  -5.684   1.928
  261    H    GLY  38           H        GLY  38  51.931  -1.680  -2.175
  262   1HA   GLY  38          2HA       GLY  38  54.286  -2.545  -3.460
  263   2HA   GLY  38          1HA       GLY  38  53.212  -1.270  -4.036
  264    H    ILE  39           H        ILE  39  53.412   0.824  -2.840
  265    HA   ILE  39           HA       ILE  39  55.881   1.974  -3.221
  266    HB   ILE  39           HB       ILE  39  53.768   2.792  -1.230
  267   1HG1  ILE  39          2HG1      ILE  39  53.907   4.285  -3.716
  268   2HG1  ILE  39          1HG1      ILE  39  53.569   2.582  -4.001
  269   1HG2  ILE  39          1HG2      ILE  39  56.109   4.231  -2.430
  270   2HG2  ILE  39          3HG2      ILE  39  54.732   5.085  -1.731
  271   3HG2  ILE  39          2HG2      ILE  39  55.709   4.013  -0.725
  272   1HD1  ILE  39          1HD1      ILE  39  51.951   3.254  -1.833
  273   2HD1  ILE  39          3HD1      ILE  39  51.843   4.645  -2.914
  274   3HD1  ILE  39          2HD1      ILE  39  51.430   3.034  -3.505
  275    H    LYS  40           H        LYS  40  54.657   0.364  -0.327
  276    HA   LYS  40           HA       LYS  40  56.644   1.170   1.480
  277   1HB   LYS  40          2HB       LYS  40  54.403  -0.214   1.751
  278   2HB   LYS  40          1HB       LYS  40  55.504  -1.578   1.608
  279   1HG   LYS  40          2HG       LYS  40  55.711  -1.311   3.836
  280   2HG   LYS  40          1HG       LYS  40  56.836  -0.032   3.390
  281   1HD   LYS  40          2HD       LYS  40  53.923   0.602   3.582
  282   2HD   LYS  40          1HD       LYS  40  54.845   0.423   5.072
  283   1HE   LYS  40          2HE       LYS  40  55.172   2.459   2.875
  284   2HE   LYS  40          1HE       LYS  40  54.978   2.726   4.606
  285   1HZ   LYS  40          3HZ       LYS  40  57.212   1.483   4.760
  286   2HZ   LYS  40          2HZ       LYS  40  57.376   1.899   3.121
  287   3HZ   LYS  40          1HZ       LYS  40  57.199   3.113   4.296
  288    H    LEU  41           H        LEU  41  56.391  -1.801  -0.452
  289    HA   LEU  41           HA       LEU  41  58.798  -3.002   0.192
  290   1HB   LEU  41          2HB       LEU  41  57.003  -3.038  -2.184
  291   2HB   LEU  41          1HB       LEU  41  58.587  -3.785  -2.342
  292    HG   LEU  41           HG       LEU  41  56.478  -4.448  -0.282
  293   1HD1  LEU  41          2HD1      LEU  41  57.429  -5.809  -2.780
  294   2HD1  LEU  41          1HD1      LEU  41  56.660  -6.717  -1.477
  295   3HD1  LEU  41          3HD1      LEU  41  55.780  -5.419  -2.287
  296   1HD2  LEU  41          2HD2      LEU  41  59.352  -5.086  -0.408
  297   2HD2  LEU  41          1HD2      LEU  41  58.245  -5.095   0.966
  298   3HD2  LEU  41          3HD2      LEU  41  58.293  -6.470  -0.136
  299    H    PHE  42           H        PHE  42  58.185  -0.260  -1.860
  300    HA   PHE  42           HA       PHE  42  60.664  -0.273  -3.272
  301   1HB   PHE  42          2HB       PHE  42  58.452   0.948  -3.821
  302   2HB   PHE  42          1HB       PHE  42  59.047   2.192  -2.731
  303    HD1  PHE  42           HD2      PHE  42  59.745   0.358  -5.863
  304    HD2  PHE  42           HD1      PHE  42  60.759   3.693  -3.398
  305    HE1  PHE  42           HE2      PHE  42  61.104   1.297  -7.693
  306    HE2  PHE  42           HE1      PHE  42  62.119   4.631  -5.228
  307    HZ   PHE  42           HZ       PHE  42  62.290   3.434  -7.375
  308    H    LYS  43           H        LYS  43  59.485   1.620  -0.503
  309    HA   LYS  43           HA       LYS  43  61.740   3.165  -0.036
  310   1HB   LYS  43          2HB       LYS  43  59.629   2.098   1.809
  311   2HB   LYS  43          1HB       LYS  43  60.852   3.268   2.312
  312   1HG   LYS  43          2HG       LYS  43  59.617   3.991  -0.221
  313   2HG   LYS  43          1HG       LYS  43  58.428   3.817   1.055
  314   1HD   LYS  43          2HD       LYS  43  59.634   5.415   2.467
  315   2HD   LYS  43          1HD       LYS  43  60.911   5.540   1.261
  316   1HE   LYS  43          2HE       LYS  43  58.307   6.879   1.396
  317   2HE   LYS  43          1HE       LYS  43  59.781   7.350   0.552
  318   1HZ   LYS  43          3HZ       LYS  43  59.200   5.672  -1.163
  319   2HZ   LYS  43          2HZ       LYS  43  57.711   5.436  -0.382
  320   3HZ   LYS  43          1HZ       LYS  43  58.092   6.951  -1.051
  321    H    LYS  44           H        LYS  44  61.314  -0.224   0.518
  322    HA   LYS  44           HA       LYS  44  63.342  -0.437   2.549
  323   1HB   LYS  44          2HB       LYS  44  61.500  -2.245   1.061
  324   2HB   LYS  44          1HB       LYS  44  62.922  -2.943   1.785
  325   1HG   LYS  44          2HG       LYS  44  61.436  -3.225   3.503
  326   2HG   LYS  44          1HG       LYS  44  62.049  -1.636   3.939
  327   1HD   LYS  44          2HD       LYS  44  60.100  -0.569   3.309
  328   2HD   LYS  44          1HD       LYS  44  59.776  -1.726   2.018
  329   1HE   LYS  44          2HE       LYS  44  59.069  -1.880   4.947
  330   2HE   LYS  44          1HE       LYS  44  58.060  -2.209   3.544
  331   1HZ   LYS  44          2HZ       LYS  44  59.670  -4.160   3.178
  332   2HZ   LYS  44          1HZ       LYS  44  60.088  -3.928   4.809
  333   3HZ   LYS  44          3HZ       LYS  44  58.486  -4.289   4.389
  334    H    PHE  45           H        PHE  45  63.024  -1.119  -0.914
  335    HA   PHE  45           HA       PHE  45  65.719  -2.149  -1.105
  336   1HB   PHE  45          2HB       PHE  45  63.396  -1.778  -2.927
  337   2HB   PHE  45          1HB       PHE  45  64.990  -1.881  -3.642
  338    HD1  PHE  45           HD1      PHE  45  66.415  -3.933  -3.216
  339    HD2  PHE  45           HD2      PHE  45  62.280  -3.735  -2.082
  340    HE1  PHE  45           HE1      PHE  45  66.337  -6.380  -3.019
  341    HE2  PHE  45           HE2      PHE  45  62.228  -6.182  -1.893
  342    HZ   PHE  45           HZ       PHE  45  64.250  -7.505  -2.358
  343    H    THR  46           H        THR  46  63.992   0.805  -2.064
  344    HA   THR  46           HA       THR  46  66.366   1.956  -3.237
  345    HB   THR  46           HB       THR  46  64.938   3.836  -3.716
  346    HG1  THR  46           HG1      THR  46  62.868   3.962  -2.888
  347   1HG2  THR  46          3HG2      THR  46  64.521   1.228  -4.625
  348   2HG2  THR  46          2HG2      THR  46  62.906   1.879  -4.332
  349   3HG2  THR  46          1HG2      THR  46  64.015   2.722  -5.417
  350    H    SER  47           H        SER  47  64.358   2.433  -0.380
  351    HA   SER  47           HA       SER  47  66.407   4.236   0.740
  352   1HB   SER  47          2HB       SER  47  63.506   4.187   0.834
  353   2HB   SER  47          1HB       SER  47  64.202   4.228   2.449
  354    HG   SER  47           HG       SER  47  64.846   6.220   2.085
  355    H    LYS  48           H        LYS  48  67.248   1.737   0.700
  356    HA   LYS  48           HA       LYS  48  66.528  -0.094   2.602
  357   1HB   LYS  48          2HB       LYS  48  69.380   0.540   1.911
  358   2HB   LYS  48          1HB       LYS  48  68.694  -1.020   2.357
  359   1HG   LYS  48          2HG       LYS  48  67.235  -0.683   0.224
  360   2HG   LYS  48          1HG       LYS  48  68.490   0.466  -0.230
  361   1HD   LYS  48          2HD       LYS  48  69.859  -1.194  -0.837
  362   2HD   LYS  48          1HD       LYS  48  69.703  -1.946   0.748
  363   1HE   LYS  48          2HE       LYS  48  67.699  -2.290  -1.490
  364   2HE   LYS  48          1HE       LYS  48  69.014  -3.414  -1.163
  365   1HZ   LYS  48          1HZ       LYS  48  67.388  -2.755   1.130
  366   2HZ   LYS  48          3HZ       LYS  48  66.567  -3.590  -0.096
  367   3HZ   LYS  48          2HZ       LYS  48  67.965  -4.261   0.597
  368    H    ALA  49           H        ALA  49  68.803   2.606   2.969
  369    HA   ALA  49           HA       ALA  49  69.651   2.227   5.537
  370   1HB   ALA  49          2HB       ALA  49  69.150   4.679   3.900
  371   2HB   ALA  49          1HB       ALA  49  69.648   4.836   5.587
  372   3HB   ALA  49          3HB       ALA  49  70.684   3.988   4.436
  373    H    SER  50           H        SER  50  66.626   3.650   4.419
  374    HA   SER  50           HA       SER  50  64.724   4.326   5.518
  375   1HB   SER  50          2HB       SER  50  63.981   2.778   7.313
  376   2HB   SER  50          1HB       SER  50  64.493   1.947   5.848
  377    HG   SER  50           HG       SER  50  65.936   0.965   7.040
   
  No H/Q in entry =         377
  Start of MODEL    9
    1   1H    ALA   1          1H        ALA   1  35.442   1.355  35.802
    2   2H    ALA   1          3H        ALA   1  33.795   1.114  35.481
    3   3H    ALA   1          2H        ALA   1  34.955   0.101  34.764
    4    HA   ALA   1           HA       ALA   1  34.622   1.441  33.010
    5   1HB   ALA   1          3HB       ALA   1  32.843   2.754  34.151
    6   2HB   ALA   1          2HB       ALA   1  34.089   3.727  34.937
    7   3HB   ALA   1          1HB       ALA   1  33.900   3.789  33.184
    8    H    GLU   2           H        GLU   2  36.897   0.858  32.974
    9    HA   GLU   2           HA       GLU   2  39.011   2.227  34.081
   10   1HB   GLU   2          2HB       GLU   2  38.613   0.380  31.921
   11   2HB   GLU   2          1HB       GLU   2  39.789   1.602  31.448
   12   1HG   GLU   2          2HG       GLU   2  41.151   1.124  33.385
   13   2HG   GLU   2          1HG       GLU   2  39.924   0.030  34.028
   14    H    GLY   3           H        GLY   3  39.630   4.275  33.986
   15   1HA   GLY   3          2HA       GLY   3  39.776   6.480  33.339
   16   2HA   GLY   3          1HA       GLY   3  40.138   5.801  31.752
   17    H    ASP   4           H        ASP   4  39.042   7.743  30.948
   18    HA   ASP   4           HA       ASP   4  36.100   7.593  31.118
   19   1HB   ASP   4          2HB       ASP   4  37.837   9.760  31.420
   20   2HB   ASP   4          1HB       ASP   4  37.119   9.967  29.822
   21    H    ASP   5           H        ASP   5  38.325   8.911  28.707
   22    HA   ASP   5           HA       ASP   5  38.481   8.632  26.438
   23   1HB   ASP   5          2HB       ASP   5  38.696   6.191  27.306
   24   2HB   ASP   5          1HB       ASP   5  37.054   6.005  26.687
   25    HA   PRO   6           HA       PRO   6  34.322   9.961  25.410
   26   1HB   PRO   6          2HB       PRO   6  34.976  11.395  23.208
   27   2HB   PRO   6          1HB       PRO   6  35.193  11.987  24.863
   28   1HG   PRO   6          2HG       PRO   6  37.205  11.073  22.923
   29   2HG   PRO   6          1HG       PRO   6  37.379  12.159  24.309
   30   1HD   PRO   6          2HD       PRO   6  38.116   9.425  24.178
   31   2HD   PRO   6          1HD       PRO   6  38.137  10.479  25.603
   32    H    ALA   7           H        ALA   7  36.557   8.645  22.985
   33    HA   ALA   7           HA       ALA   7  36.183   7.478  21.025
   34   1HB   ALA   7          3HB       ALA   7  35.728   5.918  23.075
   35   2HB   ALA   7          2HB       ALA   7  34.054   5.996  22.520
   36   3HB   ALA   7          1HB       ALA   7  35.310   5.374  21.448
   37    H    LYS   8           H        LYS   8  34.528   9.875  21.325
   38    HA   LYS   8           HA       LYS   8  32.575  10.866  20.637
   39   1HB   LYS   8          2HB       LYS   8  32.783   9.397  18.141
   40   2HB   LYS   8          1HB       LYS   8  32.706  11.111  18.453
   41   1HG   LYS   8          2HG       LYS   8  35.144  10.895  19.277
   42   2HG   LYS   8          1HG       LYS   8  35.109   9.301  18.529
   43   1HD   LYS   8          2HD       LYS   8  36.051  11.174  17.092
   44   2HD   LYS   8          1HD       LYS   8  34.800  10.181  16.357
   45   1HE   LYS   8          2HE       LYS   8  34.589  12.682  15.982
   46   2HE   LYS   8          1HE       LYS   8  33.151  11.890  16.625
   47   1HZ   LYS   8          3HZ       LYS   8  33.855  12.610  18.856
   48   2HZ   LYS   8          2HZ       LYS   8  35.166  13.441  18.166
   49   3HZ   LYS   8          1HZ       LYS   8  33.575  13.917  17.814
   50    H    ALA   9           H        ALA   9  31.272   9.545  22.065
   51    HA   ALA   9           HA       ALA   9  29.903   7.211  21.267
   52   1HB   ALA   9          1HB       ALA   9  29.274   9.318  23.332
   53   2HB   ALA   9          3HB       ALA   9  28.285   7.875  23.099
   54   3HB   ALA   9          2HB       ALA   9  29.973   7.719  23.591
   55    H    ALA  10           H        ALA  10  28.357  10.361  21.822
   56    HA   ALA  10           HA       ALA  10  26.075   9.872  20.302
   57   1HB   ALA  10          1HB       ALA  10  26.844  11.873  21.918
   58   2HB   ALA  10          3HB       ALA  10  27.096  12.655  20.357
   59   3HB   ALA  10          2HB       ALA  10  25.502  12.024  20.781
   60    H    PHE  11           H        PHE  11  29.260  10.887  19.326
   61    HA   PHE  11           HA       PHE  11  28.512  11.785  16.704
   62   1HB   PHE  11          2HB       PHE  11  30.710  12.100  18.262
   63   2HB   PHE  11          1HB       PHE  11  31.273  10.864  17.145
   64    HD1  PHE  11           HD1      PHE  11  30.026  11.512  14.644
   65    HD2  PHE  11           HD2      PHE  11  31.660  14.160  17.583
   66    HE1  PHE  11           HE1      PHE  11  30.424  13.209  12.905
   67    HE2  PHE  11           HE2      PHE  11  32.050  15.846  15.838
   68    HZ   PHE  11           HZ       PHE  11  31.435  15.375  13.501
   69    H    ASN  12           H        ASN  12  30.095   8.851  17.965
   70    HA   ASN  12           HA       ASN  12  30.278   7.515  15.477
   71   1HB   ASN  12          2HB       ASN  12  31.508   6.956  17.628
   72   2HB   ASN  12          1HB       ASN  12  30.022   6.174  18.166
   73   1HD2  ASN  12          2HD2      ASN  12  32.541   4.218  15.788
   74   2HD2  ASN  12          1HD2      ASN  12  32.909   5.669  16.649
   75    H    SER  13           H        SER  13  27.696   7.930  17.754
   76    HA   SER  13           HA       SER  13  26.060   5.749  16.912
   77   1HB   SER  13          2HB       SER  13  25.936   7.494  18.992
   78   2HB   SER  13          1HB       SER  13  24.708   8.169  17.918
   79    HG   SER  13           HG       SER  13  24.171   6.345  19.512
   80    H    LEU  14           H        LEU  14  26.606   8.985  15.776
   81    HA   LEU  14           HA       LEU  14  24.287   9.165  14.118
   82   1HB   LEU  14          2HB       LEU  14  25.390  11.169  14.906
   83   2HB   LEU  14          1HB       LEU  14  26.894  10.680  14.131
   84    HG   LEU  14           HG       LEU  14  25.755  10.784  11.921
   85   1HD1  LEU  14          1HD1      LEU  14  23.435  11.721  13.601
   86   2HD1  LEU  14          3HD1      LEU  14  23.589  12.186  11.908
   87   3HD1  LEU  14          2HD1      LEU  14  23.463  10.482  12.344
   88   1HD2  LEU  14          1HD2      LEU  14  25.880  13.281  13.613
   89   2HD2  LEU  14          3HD2      LEU  14  27.030  12.713  12.396
   90   3HD2  LEU  14          2HD2      LEU  14  25.453  13.336  11.904
   91    H    GLN  15           H        GLN  15  27.638   8.180  13.645
   92    HA   GLN  15           HA       GLN  15  27.481   7.905  10.806
   93   1HB   GLN  15          2HB       GLN  15  29.606   8.226  11.991
   94   2HB   GLN  15          1HB       GLN  15  29.403   6.666  12.780
   95   1HG   GLN  15          2HG       GLN  15  29.210   5.755  10.338
   96   2HG   GLN  15          1HG       GLN  15  30.013   7.266   9.905
   97   1HE2  GLN  15          2HD2      GLN  15  33.106   5.853  10.558
   98   2HE2  GLN  15          1HD2      GLN  15  32.076   6.783   9.528
   99    H    ALA  16           H        ALA  16  26.932   5.762  13.533
  100    HA   ALA  16           HA       ALA  16  26.934   3.287  12.302
  101   1HB   ALA  16          3HB       ALA  16  26.653   3.668  14.736
  102   2HB   ALA  16          2HB       ALA  16  24.998   4.200  14.429
  103   3HB   ALA  16          1HB       ALA  16  25.470   2.536  14.079
  104    H    SER  17           H        SER  17  24.691   5.865  11.962
  105    HA   SER  17           HA       SER  17  22.498   4.339  10.937
  106   1HB   SER  17          2HB       SER  17  21.865   6.412  11.781
  107   2HB   SER  17          1HB       SER  17  23.212   7.247  11.015
  108    HG   SER  17           HG       SER  17  20.738   6.941  10.092
  109    H    ALA  18           H        ALA  18  25.497   5.260   9.626
  110    HA   ALA  18           HA       ALA  18  24.545   5.216   6.860
  111   1HB   ALA  18          3HB       ALA  18  26.943   6.189   8.260
  112   2HB   ALA  18          2HB       ALA  18  27.250   5.429   6.697
  113   3HB   ALA  18          1HB       ALA  18  26.150   6.804   6.808
  114    H    THR  19           H        THR  19  23.920   2.916   7.553
  115    HA   THR  19           HA       THR  19  26.057   0.963   7.556
  116    HB   THR  19           HB       THR  19  24.269  -0.696   7.625
  117    HG1  THR  19           HG1      THR  19  22.617   1.553   7.149
  118   1HG2  THR  19          2HG2      THR  19  24.556   1.454   9.559
  119   2HG2  THR  19          1HG2      THR  19  22.925   0.783   9.585
  120   3HG2  THR  19          3HG2      THR  19  24.316  -0.274   9.832
  121    H    GLU  20           H        GLU  20  24.902   2.816   5.140
  122    HA   GLU  20           HA       GLU  20  24.782   0.721   3.109
  123   1HB   GLU  20          2HB       GLU  20  23.636   3.310   3.467
  124   2HB   GLU  20          1HB       GLU  20  24.589   3.315   1.991
  125   1HG   GLU  20          2HG       GLU  20  22.323   1.448   2.701
  126   2HG   GLU  20          1HG       GLU  20  22.354   2.654   1.417
  127    H    TYR  21           H        TYR  21  27.162   2.399   4.612
  128    HA   TYR  21           HA       TYR  21  28.786   2.757   2.183
  129   1HB   TYR  21          2HB       TYR  21  28.848   3.960   4.914
  130   2HB   TYR  21          1HB       TYR  21  30.304   3.945   3.929
  131    HD1  TYR  21           HD1      TYR  21  26.739   4.966   3.961
  132    HD2  TYR  21           HD2      TYR  21  30.591   5.592   2.212
  133    HE1  TYR  21           HE1      TYR  21  25.882   6.942   2.770
  134    HE2  TYR  21           HE2      TYR  21  29.724   7.567   1.029
  135    HH   TYR  21           HH       TYR  21  26.527   8.223   0.617
  136    H    ILE  22           H        ILE  22  28.238   0.382   4.361
  137    HA   ILE  22           HA       ILE  22  31.039  -0.346   4.783
  138    HB   ILE  22           HB       ILE  22  28.568  -1.890   5.535
  139   1HG1  ILE  22          2HG1      ILE  22  29.958   0.354   7.051
  140   2HG1  ILE  22          1HG1      ILE  22  28.229   0.102   6.786
  141   1HG2  ILE  22          1HG2      ILE  22  30.711  -3.139   5.461
  142   2HG2  ILE  22          3HG2      ILE  22  31.369  -2.051   6.686
  143   3HG2  ILE  22          2HG2      ILE  22  30.000  -3.093   7.076
  144   1HD1  ILE  22          3HD1      ILE  22  29.979  -1.623   8.551
  145   2HD1  ILE  22          2HD1      ILE  22  28.881  -0.361   9.112
  146   3HD1  ILE  22          1HD1      ILE  22  28.239  -1.799   8.314
  147    H    GLY  23           H        GLY  23  31.377  -0.522   2.499
  148   1HA   GLY  23          2HA       GLY  23  31.734  -3.030   1.518
  149   2HA   GLY  23          1HA       GLY  23  30.109  -2.612   0.974
  150    H    TYR  24           H        TYR  24  30.391   0.085   0.472
  151    HA   TYR  24           HA       TYR  24  31.895   0.040  -2.012
  152   1HB   TYR  24          2HB       TYR  24  30.327   2.331  -0.847
  153   2HB   TYR  24          1HB       TYR  24  30.780   2.083  -2.524
  154    HD1  TYR  24           HD2      TYR  24  29.812   0.047  -3.741
  155    HD2  TYR  24           HD1      TYR  24  28.248   1.500  -0.028
  156    HE1  TYR  24           HE2      TYR  24  27.697  -1.145  -4.151
  157    HE2  TYR  24           HE1      TYR  24  26.146   0.302  -0.456
  158    HH   TYR  24           HH       TYR  24  24.884  -0.556  -2.448
  159    H    ALA  25           H        ALA  25  32.062   1.541   1.152
  160    HA   ALA  25           HA       ALA  25  34.058   3.469   0.564
  161   1HB   ALA  25          2HB       ALA  25  33.104   2.158   3.098
  162   2HB   ALA  25          1HB       ALA  25  34.468   3.281   3.102
  163   3HB   ALA  25          3HB       ALA  25  32.878   3.825   2.562
  164    H    TRP  26           H        TRP  26  34.155   0.058   1.024
  165    HA   TRP  26           HA       TRP  26  36.851  -0.207   1.886
  166   1HB   TRP  26          2HB       TRP  26  34.675  -1.951   1.100
  167   2HB   TRP  26          1HB       TRP  26  36.199  -2.491   0.419
  168    HD1  TRP  26          1HD       TRP  26  34.240  -2.500   3.619
  169    HE1  TRP  26          1HE       TRP  26  35.658  -3.528   5.477
  170    HE3  TRP  26          3HE       TRP  26  38.804  -2.621   1.298
  171    HZ2  TRP  26          2HZ       TRP  26  38.316  -4.297   5.942
  172    HZ3  TRP  26          3HZ       TRP  26  40.746  -3.520   2.513
  173    HH2  TRP  26           HH2      TRP  26  40.508  -4.351   4.815
  174    H    ALA  27           H        ALA  27  35.286  -0.033  -1.259
  175    HA   ALA  27           HA       ALA  27  37.352  -0.820  -2.935
  176   1HB   ALA  27          2HB       ALA  27  34.897   0.723  -3.171
  177   2HB   ALA  27          1HB       ALA  27  36.153   1.297  -4.270
  178   3HB   ALA  27          3HB       ALA  27  35.641  -0.391  -4.320
  179    H    MET  28           H        MET  28  36.880   2.196  -1.218
  180    HA   MET  28           HA       MET  28  39.041   3.562  -2.562
  181   1HB   MET  28          2HB       MET  28  37.070   4.187  -0.426
  182   2HB   MET  28          1HB       MET  28  38.578   5.064  -0.379
  183   1HG   MET  28          2HG       MET  28  36.465   5.098  -2.537
  184   2HG   MET  28          1HG       MET  28  37.082   6.437  -1.588
  185   1HE   MET  28          1HE       MET  28  36.430   6.420  -4.348
  186   2HE   MET  28          3HE       MET  28  37.701   7.499  -4.941
  187   3HE   MET  28          2HE       MET  28  37.580   5.853  -5.558
  188    H    VAL  29           H        VAL  29  38.486   2.304   0.722
  189    HA   VAL  29           HA       VAL  29  40.924   2.870   1.866
  190    HB   VAL  29           HB       VAL  29  39.194   0.426   2.219
  191   1HG1  VAL  29          3HG1      VAL  29  41.725   1.196   3.428
  192   2HG1  VAL  29          2HG1      VAL  29  40.448   0.940   4.619
  193   3HG1  VAL  29          1HG1      VAL  29  40.866  -0.344   3.483
  194   1HG2  VAL  29          2HG2      VAL  29  38.764   3.152   2.842
  195   2HG2  VAL  29          1HG2      VAL  29  37.773   1.762   3.292
  196   3HG2  VAL  29          3HG2      VAL  29  39.063   2.310   4.364
  197    H    VAL  30           H        VAL  30  40.167   0.530  -0.583
  198    HA   VAL  30           HA       VAL  30  42.583  -1.004  -0.274
  199    HB   VAL  30           HB       VAL  30  40.428  -0.898  -2.378
  200   1HG1  VAL  30          3HG1      VAL  30  43.053  -2.028  -2.543
  201   2HG1  VAL  30          2HG1      VAL  30  41.844  -3.315  -2.565
  202   3HG1  VAL  30          1HG1      VAL  30  41.767  -2.009  -3.750
  203   1HG2  VAL  30          1HG2      VAL  30  40.383  -1.967   0.148
  204   2HG2  VAL  30          3HG2      VAL  30  39.352  -2.470  -1.193
  205   3HG2  VAL  30          2HG2      VAL  30  40.841  -3.353  -0.845
  206    H    VAL  31           H        VAL  31  41.402   1.624  -2.308
  207    HA   VAL  31           HA       VAL  31  43.677   1.665  -4.038
  208    HB   VAL  31           HB       VAL  31  41.464   3.641  -3.527
  209   1HG1  VAL  31          1HG1      VAL  31  43.863   3.788  -5.225
  210   2HG1  VAL  31          3HG1      VAL  31  42.345   4.243  -6.000
  211   3HG1  VAL  31          2HG1      VAL  31  42.873   5.076  -4.537
  212   1HG2  VAL  31          1HG2      VAL  31  41.423   1.171  -4.798
  213   2HG2  VAL  31          3HG2      VAL  31  40.222   2.454  -4.961
  214   3HG2  VAL  31          2HG2      VAL  31  41.548   2.334  -6.120
  215    H    ILE  32           H        ILE  32  42.967   2.905  -0.928
  216    HA   ILE  32           HA       ILE  32  45.037   4.961  -1.045
  217    HB   ILE  32           HB       ILE  32  43.195   4.093   1.182
  218   1HG1  ILE  32          2HG1      ILE  32  43.175   6.471  -0.680
  219   2HG1  ILE  32          1HG1      ILE  32  41.991   5.168  -0.612
  220   1HG2  ILE  32          1HG2      ILE  32  45.297   5.002   2.061
  221   2HG2  ILE  32          3HG2      ILE  32  45.092   6.444   1.063
  222   3HG2  ILE  32          2HG2      ILE  32  43.948   6.100   2.362
  223   1HD1  ILE  32          2HD1      ILE  32  41.394   5.860   1.690
  224   2HD1  ILE  32          1HD1      ILE  32  42.541   7.196   1.567
  225   3HD1  ILE  32          3HD1      ILE  32  41.123   7.152   0.517
  226    H    VAL  33           H        VAL  33  44.393   1.841   0.497
  227    HA   VAL  33           HA       VAL  33  46.802   1.778   2.016
  228    HB   VAL  33           HB       VAL  33  44.790  -0.306   1.177
  229   1HG1  VAL  33          3HG1      VAL  33  47.385  -0.597   2.528
  230   2HG1  VAL  33          2HG1      VAL  33  46.025  -1.437   3.276
  231   3HG1  VAL  33          1HG1      VAL  33  46.449  -1.762   1.594
  232   1HG2  VAL  33          2HG2      VAL  33  44.149   1.533   2.800
  233   2HG2  VAL  33          1HG2      VAL  33  43.923  -0.123   3.370
  234   3HG2  VAL  33          3HG2      VAL  33  45.310   0.816   3.922
  235    H    GLY  34           H        GLY  34  45.716   0.112  -0.949
  236   1HA   GLY  34          2HA       GLY  34  47.990  -1.303  -1.595
  237   2HA   GLY  34          1HA       GLY  34  46.896  -0.612  -2.793
  238    H    ALA  35           H        ALA  35  47.448   2.124  -1.747
  239    HA   ALA  35           HA       ALA  35  49.577   2.808  -3.507
  240   1HB   ALA  35          2HB       ALA  35  47.595   4.259  -2.848
  241   2HB   ALA  35          1HB       ALA  35  48.444   4.559  -1.329
  242   3HB   ALA  35          3HB       ALA  35  49.170   5.056  -2.859
  243    H    THR  36           H        THR  36  49.416   1.960  -0.151
  244    HA   THR  36           HA       THR  36  51.993   3.113   0.499
  245    HB   THR  36           HB       THR  36  49.868   2.656   2.028
  246    HG1  THR  36           HG1      THR  36  51.214   3.092   3.685
  247   1HG2  THR  36          1HG2      THR  36  49.958   0.190   1.799
  248   2HG2  THR  36          3HG2      THR  36  51.555   0.198   2.545
  249   3HG2  THR  36          2HG2      THR  36  50.146   0.719   3.470
  250    H    ILE  37           H        ILE  37  50.650  -0.137   0.020
  251    HA   ILE  37           HA       ILE  37  52.893  -1.679   0.526
  252    HB   ILE  37           HB       ILE  37  50.780  -2.062  -1.586
  253   1HG1  ILE  37          2HG1      ILE  37  51.002  -3.067   1.236
  254   2HG1  ILE  37          1HG1      ILE  37  49.855  -1.875   0.643
  255   1HG2  ILE  37          1HG2      ILE  37  53.156  -3.575  -1.032
  256   2HG2  ILE  37          3HG2      ILE  37  51.726  -4.541  -0.663
  257   3HG2  ILE  37          2HG2      ILE  37  51.929  -3.844  -2.273
  258   1HD1  ILE  37          2HD1      ILE  37  49.242  -3.827  -1.046
  259   2HD1  ILE  37          1HD1      ILE  37  49.902  -4.831   0.247
  260   3HD1  ILE  37          3HD1      ILE  37  48.537  -3.761   0.571
  261    H    GLY  38           H        GLY  38  52.140   0.339  -2.214
  262   1HA   GLY  38          2HA       GLY  38  54.055  -0.635  -4.054
  263   2HA   GLY  38          1HA       GLY  38  53.348   0.982  -4.057
  264    H    ILE  39           H        ILE  39  54.194   2.434  -2.294
  265    HA   ILE  39           HA       ILE  39  56.926   2.883  -2.671
  266    HB   ILE  39           HB       ILE  39  55.154   3.818  -0.418
  267   1HG1  ILE  39          2HG1      ILE  39  55.746   5.691  -2.579
  268   2HG1  ILE  39          1HG1      ILE  39  54.855   4.277  -3.126
  269   1HG2  ILE  39          3HG2      ILE  39  57.936   4.286  -1.067
  270   2HG2  ILE  39          2HG2      ILE  39  57.006   5.784  -1.016
  271   3HG2  ILE  39          1HG2      ILE  39  57.027   4.711   0.384
  272   1HD1  ILE  39          3HD1      ILE  39  53.522   4.903  -0.821
  273   2HD1  ILE  39          2HD1      ILE  39  53.983   6.499  -1.417
  274   3HD1  ILE  39          1HD1      ILE  39  53.032   5.416  -2.437
  275    H    LYS  40           H        LYS  40  55.205   1.083  -0.187
  276    HA   LYS  40           HA       LYS  40  57.309   0.774   1.648
  277   1HB   LYS  40          2HB       LYS  40  54.735   0.172   1.737
  278   2HB   LYS  40          1HB       LYS  40  55.327  -1.404   1.222
  279   1HG   LYS  40          2HG       LYS  40  55.641  -1.770   3.416
  280   2HG   LYS  40          1HG       LYS  40  57.074  -0.765   3.223
  281   1HD   LYS  40          2HD       LYS  40  54.452   0.574   3.713
  282   2HD   LYS  40          1HD       LYS  40  55.238  -0.229   5.071
  283   1HE   LYS  40          2HE       LYS  40  56.180   2.133   3.459
  284   2HE   LYS  40          1HE       LYS  40  56.044   1.970   5.208
  285   1HZ   LYS  40          3HZ       LYS  40  57.842   0.204   4.954
  286   2HZ   LYS  40          2HZ       LYS  40  58.110   0.872   3.415
  287   3HZ   LYS  40          1HZ       LYS  40  58.301   1.829   4.804
  288    H    LEU  41           H        LEU  41  56.167  -1.331  -0.974
  289    HA   LEU  41           HA       LEU  41  58.036  -3.382  -0.739
  290   1HB   LEU  41          2HB       LEU  41  56.369  -2.283  -2.950
  291   2HB   LEU  41          1HB       LEU  41  57.641  -3.422  -3.369
  292    HG   LEU  41           HG       LEU  41  55.377  -3.874  -1.416
  293   1HD1  LEU  41          1HD1      LEU  41  55.950  -4.936  -4.174
  294   2HD1  LEU  41          3HD1      LEU  41  54.800  -5.698  -3.074
  295   3HD1  LEU  41          2HD1      LEU  41  54.533  -4.041  -3.621
  296   1HD2  LEU  41          2HD2      LEU  41  57.905  -5.340  -1.855
  297   2HD2  LEU  41          1HD2      LEU  41  56.854  -5.283  -0.438
  298   3HD2  LEU  41          3HD2      LEU  41  56.446  -6.330  -1.797
  299    H    PHE  42           H        PHE  42  58.401  -0.150  -1.905
  300    HA   PHE  42           HA       PHE  42  60.779  -0.584  -3.454
  301   1HB   PHE  42          2HB       PHE  42  59.023   1.366  -3.508
  302   2HB   PHE  42          1HB       PHE  42  60.070   2.067  -2.281
  303    HD1  PHE  42           HD2      PHE  42  62.501   2.437  -2.828
  304    HD2  PHE  42           HD1      PHE  42  59.595   1.418  -5.785
  305    HE1  PHE  42           HE2      PHE  42  64.014   3.248  -4.595
  306    HE2  PHE  42           HE1      PHE  42  61.109   2.229  -7.553
  307    HZ   PHE  42           HZ       PHE  42  63.319   3.146  -6.958
  308    H    LYS  43           H        LYS  43  60.076   0.211  -0.110
  309    HA   LYS  43           HA       LYS  43  62.816   0.897   0.500
  310   1HB   LYS  43          2HB       LYS  43  60.410   0.473   2.263
  311   2HB   LYS  43          1HB       LYS  43  61.981   1.025   2.843
  312   1HG   LYS  43          2HG       LYS  43  60.778   2.501   0.547
  313   2HG   LYS  43          1HG       LYS  43  60.021   2.723   2.111
  314   1HD   LYS  43          2HD       LYS  43  61.734   3.954   2.932
  315   2HD   LYS  43          1HD       LYS  43  62.963   2.985   2.132
  316   1HE   LYS  43          2HE       LYS  43  62.418   5.509   1.423
  317   2HE   LYS  43          1HE       LYS  43  62.991   4.306   0.272
  318   1HZ   LYS  43          2HZ       LYS  43  60.103   4.604   0.745
  319   2HZ   LYS  43          1HZ       LYS  43  60.903   5.724  -0.250
  320   3HZ   LYS  43          3HZ       LYS  43  60.918   4.075  -0.648
  321    H    LYS  44           H        LYS  44  61.040  -1.998   0.238
  322    HA   LYS  44           HA       LYS  44  62.516  -3.478   2.231
  323   1HB   LYS  44          2HB       LYS  44  60.233  -4.107   1.716
  324   2HB   LYS  44          1HB       LYS  44  60.649  -4.389   0.038
  325   1HG   LYS  44          2HG       LYS  44  62.378  -5.881   1.834
  326   2HG   LYS  44          1HG       LYS  44  60.680  -6.268   2.092
  327   1HD   LYS  44          2HD       LYS  44  60.516  -6.551  -0.451
  328   2HD   LYS  44          1HD       LYS  44  62.274  -6.462  -0.471
  329   1HE   LYS  44          2HE       LYS  44  60.550  -8.715   0.364
  330   2HE   LYS  44          1HE       LYS  44  62.201  -8.712  -0.253
  331   1HZ   LYS  44          3HZ       LYS  44  62.975  -8.034   1.936
  332   2HZ   LYS  44          2HZ       LYS  44  61.382  -8.057   2.526
  333   3HZ   LYS  44          1HZ       LYS  44  62.122  -9.497   2.012
  334    H    PHE  45           H        PHE  45  62.323  -3.588  -1.323
  335    HA   PHE  45           HA       PHE  45  64.393  -5.406  -1.778
  336   1HB   PHE  45          2HB       PHE  45  63.040  -3.277  -3.347
  337   2HB   PHE  45          1HB       PHE  45  64.555  -3.900  -3.959
  338    HD1  PHE  45           HD2      PHE  45  64.796  -6.381  -4.415
  339    HD2  PHE  45           HD1      PHE  45  61.013  -4.558  -3.546
  340    HE1  PHE  45           HE2      PHE  45  63.628  -8.332  -5.346
  341    HE2  PHE  45           HE1      PHE  45  59.866  -6.517  -4.481
  342    HZ   PHE  45           HZ       PHE  45  61.167  -8.403  -5.380
  343    H    THR  46           H        THR  46  64.474  -2.049  -0.913
  344    HA   THR  46           HA       THR  46  67.276  -1.760  -1.633
  345    HB   THR  46           HB       THR  46  66.964   0.540  -0.962
  346    HG1  THR  46           HG1      THR  46  65.526   0.120   0.793
  347   1HG2  THR  46          3HG2      THR  46  65.221  -0.803  -2.895
  348   2HG2  THR  46          2HG2      THR  46  64.636   0.783  -2.384
  349   3HG2  THR  46          1HG2      THR  46  66.243   0.622  -3.092
  350    H    SER  47           H        SER  47  65.353  -2.573   1.104
  351    HA   SER  47           HA       SER  47  67.153  -1.728   3.153
  352   1HB   SER  47          2HB       SER  47  64.730  -2.210   3.499
  353   2HB   SER  47          1HB       SER  47  65.075  -3.919   3.260
  354    HG   SER  47           HG       SER  47  65.143  -2.743   5.521
  355    H    LYS  48           H        LYS  48  66.991  -4.457   1.033
  356    HA   LYS  48           HA       LYS  48  68.244  -6.503   2.310
  357   1HB   LYS  48          2HB       LYS  48  68.711  -5.507  -0.498
  358   2HB   LYS  48          1HB       LYS  48  69.259  -7.069   0.099
  359   1HG   LYS  48          2HG       LYS  48  66.402  -6.483   0.559
  360   2HG   LYS  48          1HG       LYS  48  66.868  -6.648  -1.130
  361   1HD   LYS  48          2HD       LYS  48  67.748  -8.685   0.894
  362   2HD   LYS  48          1HD       LYS  48  66.134  -8.765   0.196
  363   1HE   LYS  48          2HE       LYS  48  67.002  -9.036  -2.007
  364   2HE   LYS  48          1HE       LYS  48  68.630  -8.605  -1.492
  365   1HZ   LYS  48          3HZ       LYS  48  67.465 -10.863  -0.112
  366   2HZ   LYS  48          2HZ       LYS  48  67.744 -11.109  -1.770
  367   3HZ   LYS  48          1HZ       LYS  48  69.025 -10.662  -0.747
  368    H    ALA  49           H        ALA  49  69.651  -3.474   1.325
  369    HA   ALA  49           HA       ALA  49  72.298  -3.855   1.129
  370   1HB   ALA  49          3HB       ALA  49  70.634  -1.701   2.245
  371   2HB   ALA  49          2HB       ALA  49  72.326  -1.681   2.749
  372   3HB   ALA  49          1HB       ALA  49  71.915  -1.632   1.033
  373    H    SER  50           H        SER  50  70.802  -3.214   4.304
  374    HA   SER  50           HA       SER  50  73.041  -3.833   5.856
  375   1HB   SER  50          2HB       SER  50  70.107  -3.693   6.359
  376   2HB   SER  50          1HB       SER  50  71.134  -4.422   7.588
  377    HG   SER  50           HG       SER  50  71.323  -1.804   6.480
   
  No H/Q in entry =         377
  Start of MODEL   10
    1   1H    ALA   1          2H        ALA   1  44.653  -7.622  28.293
    2   2H    ALA   1          1H        ALA   1  44.810  -7.425  29.972
    3   3H    ALA   1          3H        ALA   1  45.663  -8.659  29.182
    4    HA   ALA   1           HA       ALA   1  43.971 -10.064  29.231
    5   1HB   ALA   1          1HB       ALA   1  42.890  -7.914  31.079
    6   2HB   ALA   1          3HB       ALA   1  42.210  -9.539  30.956
    7   3HB   ALA   1          2HB       ALA   1  43.863  -9.312  31.539
    8    H    GLU   2           H        GLU   2  41.763 -10.576  28.651
    9    HA   GLU   2           HA       GLU   2  40.040 -10.499  27.137
   10   1HB   GLU   2          2HB       GLU   2  40.026  -7.723  28.294
   11   2HB   GLU   2          1HB       GLU   2  38.836  -8.234  27.099
   12   1HG   GLU   2          2HG       GLU   2  38.881 -10.299  28.980
   13   2HG   GLU   2          1HG       GLU   2  38.961  -8.818  29.937
   14    H    GLY   3           H        GLY   3  42.326 -10.517  25.810
   15   1HA   GLY   3          2HA       GLY   3  42.825  -8.297  24.110
   16   2HA   GLY   3          1HA       GLY   3  43.406  -9.942  23.866
   17    H    ASP   4           H        ASP   4  42.479 -11.162  22.337
   18    HA   ASP   4           HA       ASP   4  40.707  -9.997  20.445
   19   1HB   ASP   4          2HB       ASP   4  42.475 -11.789  20.038
   20   2HB   ASP   4          1HB       ASP   4  41.305 -12.937  20.692
   21    H    ASP   5           H        ASP   5  39.160  -9.519  22.378
   22    HA   ASP   5           HA       ASP   5  37.528 -11.465  23.508
   23   1HB   ASP   5          2HB       ASP   5  37.606  -9.040  24.130
   24   2HB   ASP   5          1HB       ASP   5  36.656  -8.696  22.684
   25    HA   PRO   6           HA       PRO   6  35.336 -12.694  19.797
   26   1HB   PRO   6          2HB       PRO   6  33.980 -14.765  20.883
   27   2HB   PRO   6          1HB       PRO   6  35.691 -14.847  20.436
   28   1HG   PRO   6          2HG       PRO   6  34.457 -14.679  23.103
   29   2HG   PRO   6          1HG       PRO   6  36.026 -15.342  22.622
   30   1HD   PRO   6          2HD       PRO   6  35.537 -12.826  23.820
   31   2HD   PRO   6          1HD       PRO   6  37.070 -13.419  23.158
   32    H    ALA   7           H        ALA   7  33.976 -11.520  22.717
   33    HA   ALA   7           HA       ALA   7  31.242 -11.824  22.392
   34   1HB   ALA   7          1HB       ALA   7  32.282 -10.833  24.383
   35   2HB   ALA   7          3HB       ALA   7  32.706  -9.398  23.446
   36   3HB   ALA   7          2HB       ALA   7  31.011  -9.791  23.738
   37    H    LYS   8           H        LYS   8  33.457  -9.829  20.616
   38    HA   LYS   8           HA       LYS   8  31.687  -7.921  19.551
   39   1HB   LYS   8          2HB       LYS   8  34.112  -9.128  18.205
   40   2HB   LYS   8          1HB       LYS   8  33.379  -7.575  17.864
   41   1HG   LYS   8          2HG       LYS   8  34.186  -6.600  19.845
   42   2HG   LYS   8          1HG       LYS   8  34.422  -8.168  20.614
   43   1HD   LYS   8          2HD       LYS   8  36.493  -6.814  19.744
   44   2HD   LYS   8          1HD       LYS   8  36.437  -8.559  19.564
   45   1HE   LYS   8          2HE       LYS   8  37.202  -7.173  17.536
   46   2HE   LYS   8          1HE       LYS   8  35.997  -8.426  17.249
   47   1HZ   LYS   8          2HZ       LYS   8  34.736  -5.981  17.930
   48   2HZ   LYS   8          1HZ       LYS   8  35.814  -5.737  16.640
   49   3HZ   LYS   8          3HZ       LYS   8  34.592  -6.903  16.510
   50    H    ALA   9           H        ALA   9  32.186 -11.264  18.834
   51    HA   ALA   9           HA       ALA   9  31.480 -11.716  16.279
   52   1HB   ALA   9          3HB       ALA   9  30.431 -13.120  18.734
   53   2HB   ALA   9          2HB       ALA   9  30.217 -13.730  17.092
   54   3HB   ALA   9          1HB       ALA   9  31.839 -13.555  17.764
   55    H    ALA  10           H        ALA  10  28.821 -11.980  18.612
   56    HA   ALA  10           HA       ALA  10  26.727 -11.656  16.865
   57   1HB   ALA  10          3HB       ALA  10  27.099 -11.491  19.736
   58   2HB   ALA  10          2HB       ALA  10  25.853 -10.373  19.179
   59   3HB   ALA  10          1HB       ALA  10  25.721 -12.094  18.814
   60    H    PHE  11           H        PHE  11  28.190  -9.050  18.816
   61    HA   PHE  11           HA       PHE  11  26.715  -6.907  17.882
   62   1HB   PHE  11          2HB       PHE  11  28.728  -7.125  19.610
   63   2HB   PHE  11          1HB       PHE  11  29.639  -6.511  18.238
   64    HD1  PHE  11           HD1      PHE  11  28.334  -4.516  16.966
   65    HD2  PHE  11           HD2      PHE  11  27.983  -5.477  21.123
   66    HE1  PHE  11           HE1      PHE  11  27.602  -2.214  17.444
   67    HE2  PHE  11           HE2      PHE  11  27.256  -3.177  21.588
   68    HZ   PHE  11           HZ       PHE  11  27.063  -1.543  19.753
   69    H    ASN  12           H        ASN  12  29.480  -8.507  16.393
   70    HA   ASN  12           HA       ASN  12  29.799  -6.628  14.262
   71   1HB   ASN  12          2HB       ASN  12  31.369  -8.572  15.234
   72   2HB   ASN  12          1HB       ASN  12  30.646  -9.445  13.882
   73   1HD2  ASN  12          1HD2      ASN  12  31.370  -9.048  11.873
   74   2HD2  ASN  12          2HD2      ASN  12  32.502  -7.813  11.446
   75    H    SER  13           H        SER  13  27.986  -9.603  14.709
   76    HA   SER  13           HA       SER  13  27.222 -10.028  12.023
   77   1HB   SER  13          2HB       SER  13  25.267 -10.812  14.060
   78   2HB   SER  13          1HB       SER  13  26.110 -11.796  12.863
   79    HG   SER  13           HG       SER  13  27.206 -12.462  14.545
   80    H    LEU  14           H        LEU  14  26.002  -7.948  14.541
   81    HA   LEU  14           HA       LEU  14  23.509  -7.378  13.230
   82   1HB   LEU  14          2HB       LEU  14  23.578  -7.217  15.620
   83   2HB   LEU  14          1HB       LEU  14  24.946  -6.110  15.558
   84    HG   LEU  14           HG       LEU  14  23.579  -4.385  14.540
   85   1HD1  LEU  14          3HD1      LEU  14  21.430  -6.502  14.508
   86   2HD1  LEU  14          2HD1      LEU  14  21.048  -4.782  14.433
   87   3HD1  LEU  14          1HD1      LEU  14  22.032  -5.520  13.169
   88   1HD2  LEU  14          3HD2      LEU  14  22.282  -5.591  16.999
   89   2HD2  LEU  14          2HD2      LEU  14  23.555  -4.366  16.955
   90   3HD2  LEU  14          1HD2      LEU  14  21.933  -3.977  16.380
   91    H    GLN  15           H        GLN  15  26.714  -5.980  13.296
   92    HA   GLN  15           HA       GLN  15  25.845  -3.602  11.832
   93   1HB   GLN  15          2HB       GLN  15  27.479  -3.358  13.648
   94   2HB   GLN  15          1HB       GLN  15  28.582  -4.432  12.796
   95   1HG   GLN  15          2HG       GLN  15  28.251  -2.693  10.837
   96   2HG   GLN  15          1HG       GLN  15  27.813  -1.620  12.167
   97   1HE2  GLN  15          2HD2      GLN  15  31.523  -1.577  11.477
   98   2HE2  GLN  15          1HD2      GLN  15  30.131  -1.437  10.462
   99    H    ALA  16           H        ALA  16  27.745  -6.533  11.367
  100    HA   ALA  16           HA       ALA  16  28.681  -5.863   8.755
  101   1HB   ALA  16          2HB       ALA  16  29.663  -7.574  10.380
  102   2HB   ALA  16          1HB       ALA  16  28.382  -8.656   9.831
  103   3HB   ALA  16          3HB       ALA  16  29.573  -8.044   8.682
  104    H    SER  17           H        SER  17  25.607  -6.616   9.832
  105    HA   SER  17           HA       SER  17  24.710  -8.264   7.670
  106   1HB   SER  17          2HB       SER  17  23.433  -6.781   9.915
  107   2HB   SER  17          1HB       SER  17  22.425  -7.259   8.554
  108    HG   SER  17           HG       SER  17  22.399  -8.989   9.925
  109    H    ALA  18           H        ALA  18  24.404  -4.805   8.443
  110    HA   ALA  18           HA       ALA  18  23.348  -4.285   5.752
  111   1HB   ALA  18          2HB       ALA  18  23.127  -3.016   8.373
  112   2HB   ALA  18          1HB       ALA  18  23.460  -1.869   7.074
  113   3HB   ALA  18          3HB       ALA  18  22.048  -2.923   6.977
  114    H    THR  19           H        THR  19  26.163  -5.013   6.229
  115    HA   THR  19           HA       THR  19  27.541  -2.506   5.592
  116    HB   THR  19           HB       THR  19  28.660  -5.236   6.212
  117    HG1  THR  19           HG1      THR  19  28.768  -2.955   7.865
  118   1HG2  THR  19          2HG2      THR  19  29.923  -3.018   4.997
  119   2HG2  THR  19          1HG2      THR  19  30.485  -3.063   6.669
  120   3HG2  THR  19          3HG2      THR  19  30.685  -4.475   5.631
  121    H    GLU  20           H        GLU  20  25.756  -3.698   3.694
  122    HA   GLU  20           HA       GLU  20  27.456  -4.893   1.661
  123   1HB   GLU  20          2HB       GLU  20  24.692  -4.964   2.296
  124   2HB   GLU  20          1HB       GLU  20  24.846  -4.242   0.699
  125   1HG   GLU  20          2HG       GLU  20  25.854  -6.945   1.604
  126   2HG   GLU  20          1HG       GLU  20  24.623  -6.603   0.392
  127    H    TYR  21           H        TYR  21  26.436  -1.838   2.644
  128    HA   TYR  21           HA       TYR  21  26.914  -0.645   0.000
  129   1HB   TYR  21          2HB       TYR  21  25.459   0.263   2.457
  130   2HB   TYR  21          1HB       TYR  21  26.045   1.440   1.292
  131    HD1  TYR  21           HD1      TYR  21  25.187   1.395  -1.049
  132    HD2  TYR  21           HD2      TYR  21  23.570  -1.125   2.007
  133    HE1  TYR  21           HE1      TYR  21  23.195   0.981  -2.437
  134    HE2  TYR  21           HE2      TYR  21  21.582  -1.529   0.609
  135    HH   TYR  21           HH       TYR  21  21.329  -0.249  -2.673
  136    H    ILE  22           H        ILE  22  28.234  -1.000   3.174
  137    HA   ILE  22           HA       ILE  22  30.020   1.274   3.008
  138    HB   ILE  22           HB       ILE  22  29.874  -1.092   4.879
  139   1HG1  ILE  22          2HG1      ILE  22  28.069   0.936   4.778
  140   2HG1  ILE  22          1HG1      ILE  22  28.527   0.152   6.299
  141   1HG2  ILE  22          2HG2      ILE  22  32.177  -0.181   4.724
  142   2HG2  ILE  22          1HG2      ILE  22  31.561   1.403   5.196
  143   3HG2  ILE  22          3HG2      ILE  22  31.468   0.050   6.325
  144   1HD1  ILE  22          2HD1      ILE  22  29.785   2.688   5.224
  145   2HD1  ILE  22          1HD1      ILE  22  28.513   2.620   6.443
  146   3HD1  ILE  22          3HD1      ILE  22  30.099   1.927   6.786
  147    H    GLY  23           H        GLY  23  30.038  -2.022   1.965
  148   1HA   GLY  23          2HA       GLY  23  32.830  -2.487   1.913
  149   2HA   GLY  23          1HA       GLY  23  31.624  -3.329   0.943
  150    H    TYR  24           H        TYR  24  30.890  -0.359   0.100
  151    HA   TYR  24           HA       TYR  24  32.334  -0.429  -2.382
  152   1HB   TYR  24          2HB       TYR  24  30.495   1.607  -1.126
  153   2HB   TYR  24          1HB       TYR  24  31.227   1.819  -2.707
  154    HD1  TYR  24           HD2      TYR  24  30.411  -1.632  -2.008
  155    HD2  TYR  24           HD1      TYR  24  28.767   2.082  -3.366
  156    HE1  TYR  24           HE2      TYR  24  28.530  -2.829  -3.032
  157    HE2  TYR  24           HE1      TYR  24  26.888   0.862  -4.385
  158    HH   TYR  24           HH       TYR  24  26.805  -2.640  -4.507
  159    H    ALA  25           H        ALA  25  32.592   1.309   0.648
  160    HA   ALA  25           HA       ALA  25  34.582   3.170  -0.225
  161   1HB   ALA  25          2HB       ALA  25  33.085   3.425   1.803
  162   2HB   ALA  25          1HB       ALA  25  34.094   2.216   2.600
  163   3HB   ALA  25          3HB       ALA  25  34.797   3.751   2.084
  164    H    TRP  26           H        TRP  26  34.558  -0.118   0.863
  165    HA   TRP  26           HA       TRP  26  37.230  -0.402   1.713
  166   1HB   TRP  26          2HB       TRP  26  34.983  -2.135   1.067
  167   2HB   TRP  26          1HB       TRP  26  36.512  -2.820   0.550
  168    HD1  TRP  26          1HD       TRP  26  34.342  -2.756   3.478
  169    HE1  TRP  26          1HE       TRP  26  35.622  -3.378   5.590
  170    HE3  TRP  26          3HE       TRP  26  39.136  -2.345   1.744
  171    HZ2  TRP  26          2HZ       TRP  26  38.284  -3.682   6.447
  172    HZ3  TRP  26          3HZ       TRP  26  41.011  -2.825   3.268
  173    HH2  TRP  26           HH2      TRP  26  40.592  -3.489   5.599
  174    H    ALA  27           H        ALA  27  35.713  -0.336  -1.421
  175    HA   ALA  27           HA       ALA  27  37.896  -1.400  -2.910
  176   1HB   ALA  27          1HB       ALA  27  35.248  -0.530  -3.429
  177   2HB   ALA  27          3HB       ALA  27  36.315   0.407  -4.478
  178   3HB   ALA  27          2HB       ALA  27  36.354  -1.356  -4.531
  179    H    MET  28           H        MET  28  37.068   1.740  -1.672
  180    HA   MET  28           HA       MET  28  39.073   3.125  -3.258
  181   1HB   MET  28          2HB       MET  28  36.840   3.862  -1.513
  182   2HB   MET  28          1HB       MET  28  38.267   4.844  -1.246
  183   1HG   MET  28          2HG       MET  28  36.757   4.473  -3.836
  184   2HG   MET  28          1HG       MET  28  36.897   5.936  -2.879
  185   1HE   MET  28          1HE       MET  28  37.547   7.515  -4.095
  186   2HE   MET  28          3HE       MET  28  39.229   7.837  -3.644
  187   3HE   MET  28          2HE       MET  28  38.797   7.593  -5.337
  188    H    VAL  29           H        VAL  29  38.526   2.226   0.119
  189    HA   VAL  29           HA       VAL  29  40.775   3.330   1.291
  190    HB   VAL  29           HB       VAL  29  39.372   0.734   1.905
  191   1HG1  VAL  29          1HG1      VAL  29  41.512   2.247   3.317
  192   2HG1  VAL  29          3HG1      VAL  29  40.278   1.426   4.273
  193   3HG1  VAL  29          2HG1      VAL  29  41.283   0.505   3.151
  194   1HG2  VAL  29          3HG2      VAL  29  38.670   3.525   2.266
  195   2HG2  VAL  29          2HG2      VAL  29  37.681   2.079   2.474
  196   3HG2  VAL  29          1HG2      VAL  29  38.697   2.651   3.799
  197    H    VAL  30           H        VAL  30  40.408   0.236  -0.394
  198    HA   VAL  30           HA       VAL  30  42.940  -0.817   0.121
  199    HB   VAL  30           HB       VAL  30  40.849  -1.893  -0.899
  200   1HG1  VAL  30          2HG1      VAL  30  41.036  -0.170  -2.864
  201   2HG1  VAL  30          1HG1      VAL  30  42.138  -1.374  -3.530
  202   3HG1  VAL  30          3HG1      VAL  30  40.471  -1.816  -3.159
  203   1HG2  VAL  30          3HG2      VAL  30  42.989  -3.021  -0.467
  204   2HG2  VAL  30          2HG2      VAL  30  42.177  -3.638  -1.907
  205   3HG2  VAL  30          1HG2      VAL  30  43.548  -2.537  -2.068
  206    H    VAL  31           H        VAL  31  41.865   1.541  -2.227
  207    HA   VAL  31           HA       VAL  31  44.272   1.494  -3.776
  208    HB   VAL  31           HB       VAL  31  41.986   3.447  -3.645
  209   1HG1  VAL  31          2HG1      VAL  31  44.500   3.442  -5.180
  210   2HG1  VAL  31          1HG1      VAL  31  43.033   3.792  -6.097
  211   3HG1  VAL  31          3HG1      VAL  31  43.459   4.784  -4.702
  212   1HG2  VAL  31          2HG2      VAL  31  41.772   0.938  -4.466
  213   2HG2  VAL  31          1HG2      VAL  31  40.961   2.254  -5.317
  214   3HG2  VAL  31          3HG2      VAL  31  42.480   1.607  -5.938
  215    H    ILE  32           H        ILE  32  43.150   3.123  -0.959
  216    HA   ILE  32           HA       ILE  32  45.234   5.159  -1.057
  217    HB   ILE  32           HB       ILE  32  43.129   4.537   1.013
  218   1HG1  ILE  32          2HG1      ILE  32  43.291   6.848  -0.921
  219   2HG1  ILE  32          1HG1      ILE  32  42.365   5.382  -1.230
  220   1HG2  ILE  32          3HG2      ILE  32  45.498   6.078   1.254
  221   2HG2  ILE  32          2HG2      ILE  32  44.136   7.200   1.193
  222   3HG2  ILE  32          1HG2      ILE  32  44.174   5.922   2.410
  223   1HD1  ILE  32          3HD1      ILE  32  41.074   5.800   0.850
  224   2HD1  ILE  32          2HD1      ILE  32  41.955   7.314   1.061
  225   3HD1  ILE  32          1HD1      ILE  32  40.894   7.096  -0.334
  226    H    VAL  33           H        VAL  33  44.439   2.201   0.680
  227    HA   VAL  33           HA       VAL  33  46.753   2.369   2.409
  228    HB   VAL  33           HB       VAL  33  44.497   0.439   1.972
  229   1HG1  VAL  33          1HG1      VAL  33  46.970  -0.064   3.614
  230   2HG1  VAL  33          3HG1      VAL  33  45.460  -0.959   3.800
  231   3HG1  VAL  33          2HG1      VAL  33  46.345  -1.029   2.276
  232   1HG2  VAL  33          1HG2      VAL  33  45.371   2.339   4.085
  233   2HG2  VAL  33          3HG2      VAL  33  43.759   2.024   3.442
  234   3HG2  VAL  33          2HG2      VAL  33  44.492   0.890   4.580
  235    H    GLY  34           H        GLY  34  45.842   0.996  -0.653
  236   1HA   GLY  34          2HA       GLY  34  47.925  -0.950  -0.845
  237   2HA   GLY  34          1HA       GLY  34  46.965  -0.311  -2.184
  238    H    ALA  35           H        ALA  35  47.561   2.429  -1.807
  239    HA   ALA  35           HA       ALA  35  49.856   2.779  -3.342
  240   1HB   ALA  35          2HB       ALA  35  48.387   4.625  -1.466
  241   2HB   ALA  35          1HB       ALA  35  49.786   5.158  -2.400
  242   3HB   ALA  35          3HB       ALA  35  48.335   4.590  -3.230
  243    H    THR  36           H        THR  36  49.420   2.512   0.105
  244    HA   THR  36           HA       THR  36  52.011   3.375   0.904
  245    HB   THR  36           HB       THR  36  49.873   1.696   2.208
  246    HG1  THR  36           HG1      THR  36  49.283   3.762   2.293
  247   1HG2  THR  36          1HG2      THR  36  52.618   2.382   3.227
  248   2HG2  THR  36          3HG2      THR  36  51.265   2.148   4.336
  249   3HG2  THR  36          2HG2      THR  36  51.773   0.832   3.273
  250    H    ILE  37           H        ILE  37  50.574   0.172   0.320
  251    HA   ILE  37           HA       ILE  37  52.810  -1.401   0.896
  252    HB   ILE  37           HB       ILE  37  50.665  -1.833  -1.179
  253   1HG1  ILE  37          2HG1      ILE  37  50.889  -2.712   1.687
  254   2HG1  ILE  37          1HG1      ILE  37  49.739  -1.552   1.036
  255   1HG2  ILE  37          1HG2      ILE  37  52.600  -3.257  -1.603
  256   2HG2  ILE  37          3HG2      ILE  37  52.572  -3.808   0.073
  257   3HG2  ILE  37          2HG2      ILE  37  51.238  -4.210  -1.010
  258   1HD1  ILE  37          3HD1      ILE  37  49.089  -3.560  -0.544
  259   2HD1  ILE  37          2HD1      ILE  37  49.807  -4.529   0.744
  260   3HD1  ILE  37          1HD1      ILE  37  48.441  -3.468   1.094
  261    H    GLY  38           H        GLY  38  51.999   0.545  -1.879
  262   1HA   GLY  38          2HA       GLY  38  53.950  -0.478  -3.686
  263   2HA   GLY  38          1HA       GLY  38  53.132   1.080  -3.808
  264    H    ILE  39           H        ILE  39  54.092   1.612  -0.957
  265    HA   ILE  39           HA       ILE  39  56.662   2.772  -1.739
  266    HB   ILE  39           HB       ILE  39  55.457   3.136   0.963
  267   1HG1  ILE  39          2HG1      ILE  39  53.510   3.513  -0.325
  268   2HG1  ILE  39          1HG1      ILE  39  54.168   5.087   0.058
  269   1HG2  ILE  39          2HG2      ILE  39  57.674   4.098   0.100
  270   2HG2  ILE  39          1HG2      ILE  39  56.658   5.217  -0.811
  271   3HG2  ILE  39          3HG2      ILE  39  56.561   5.174   0.948
  272   1HD1  ILE  39          3HD1      ILE  39  55.269   5.072  -2.218
  273   2HD1  ILE  39          2HD1      ILE  39  54.290   3.647  -2.586
  274   3HD1  ILE  39          1HD1      ILE  39  53.510   5.182  -2.218
  275    H    LYS  40           H        LYS  40  55.246   0.686   0.712
  276    HA   LYS  40           HA       LYS  40  57.563   0.066   2.158
  277   1HB   LYS  40          2HB       LYS  40  54.872  -0.781   2.117
  278   2HB   LYS  40          1HB       LYS  40  55.858  -2.215   1.918
  279   1HG   LYS  40          2HG       LYS  40  55.824  -2.171   4.176
  280   2HG   LYS  40          1HG       LYS  40  57.241  -1.164   3.914
  281   1HD   LYS  40          2HD       LYS  40  54.408  -0.206   4.423
  282   2HD   LYS  40          1HD       LYS  40  55.729  -0.173   5.580
  283   1HE   LYS  40          2HE       LYS  40  56.820   1.584   4.479
  284   2HE   LYS  40          1HE       LYS  40  55.969   1.295   2.955
  285   1HZ   LYS  40          1HZ       LYS  40  54.041   1.845   4.860
  286   2HZ   LYS  40          3HZ       LYS  40  55.265   2.998   5.080
  287   3HZ   LYS  40          2HZ       LYS  40  54.530   2.822   3.559
  288    H    LEU  41           H        LEU  41  56.121  -1.515  -0.667
  289    HA   LEU  41           HA       LEU  41  57.947  -3.606  -0.968
  290   1HB   LEU  41          2HB       LEU  41  56.182  -2.082  -2.838
  291   2HB   LEU  41          1HB       LEU  41  57.353  -3.211  -3.504
  292    HG   LEU  41           HG       LEU  41  55.442  -3.990  -1.313
  293   1HD1  LEU  41          2HD1      LEU  41  54.988  -4.012  -4.288
  294   2HD1  LEU  41          1HD1      LEU  41  54.085  -5.045  -3.178
  295   3HD1  LEU  41          3HD1      LEU  41  53.980  -3.289  -3.033
  296   1HD2  LEU  41          2HD2      LEU  41  57.549  -5.358  -2.004
  297   2HD2  LEU  41          1HD2      LEU  41  56.012  -6.189  -1.766
  298   3HD2  LEU  41          3HD2      LEU  41  56.569  -5.822  -3.398
  299    H    PHE  42           H        PHE  42  58.110  -0.229  -1.909
  300    HA   PHE  42           HA       PHE  42  60.460  -0.385  -3.499
  301   1HB   PHE  42          2HB       PHE  42  58.666   1.512  -3.214
  302   2HB   PHE  42          1HB       PHE  42  59.741   2.058  -1.935
  303    HD1  PHE  42           HD1      PHE  42  62.394   1.573  -2.971
  304    HD2  PHE  42           HD2      PHE  42  58.896   2.921  -5.020
  305    HE1  PHE  42           HE1      PHE  42  63.806   2.690  -4.653
  306    HE2  PHE  42           HE2      PHE  42  60.311   4.035  -6.701
  307    HZ   PHE  42           HZ       PHE  42  62.766   3.919  -6.518
  308    H    LYS  43           H        LYS  43  59.896   0.586  -0.128
  309    HA   LYS  43           HA       LYS  43  62.577   1.038   0.567
  310   1HB   LYS  43          2HB       LYS  43  60.154   0.299   2.178
  311   2HB   LYS  43          1HB       LYS  43  61.709   0.716   2.904
  312   1HG   LYS  43          2HG       LYS  43  60.957   2.617   0.848
  313   2HG   LYS  43          1HG       LYS  43  59.698   2.473   2.056
  314   1HD   LYS  43          2HD       LYS  43  61.205   3.057   3.843
  315   2HD   LYS  43          1HD       LYS  43  62.598   2.946   2.773
  316   1HE   LYS  43          2HE       LYS  43  60.767   5.180   3.248
  317   2HE   LYS  43          1HE       LYS  43  62.406   5.179   2.599
  318   1HZ   LYS  43          3HZ       LYS  43  61.464   4.460   0.453
  319   2HZ   LYS  43          2HZ       LYS  43  59.901   4.617   1.102
  320   3HZ   LYS  43          1HZ       LYS  43  60.901   5.983   0.946
  321    H    LYS  44           H        LYS  44  60.929  -1.898  -0.065
  322    HA   LYS  44           HA       LYS  44  62.906  -3.458   1.448
  323   1HB   LYS  44          2HB       LYS  44  60.131  -3.723   1.153
  324   2HB   LYS  44          1HB       LYS  44  60.815  -4.997   0.161
  325   1HG   LYS  44          2HG       LYS  44  61.623  -4.583   3.042
  326   2HG   LYS  44          1HG       LYS  44  60.280  -5.603   2.554
  327   1HD   LYS  44          2HD       LYS  44  62.390  -6.401   0.886
  328   2HD   LYS  44          1HD       LYS  44  63.149  -6.169   2.461
  329   1HE   LYS  44          2HE       LYS  44  62.150  -8.516   1.875
  330   2HE   LYS  44          1HE       LYS  44  61.907  -7.847   3.486
  331   1HZ   LYS  44          1HZ       LYS  44  59.906  -7.246   1.434
  332   2HZ   LYS  44          3HZ       LYS  44  59.939  -8.818   2.069
  333   3HZ   LYS  44          2HZ       LYS  44  59.712  -7.490   3.104
  334    H    PHE  45           H        PHE  45  61.213  -3.634  -1.716
  335    HA   PHE  45           HA       PHE  45  63.383  -5.197  -2.842
  336   1HB   PHE  45          2HB       PHE  45  60.675  -4.341  -3.713
  337   2HB   PHE  45          1HB       PHE  45  61.870  -4.622  -4.959
  338    HD1  PHE  45           HD1      PHE  45  63.184  -6.877  -4.868
  339    HD2  PHE  45           HD2      PHE  45  59.436  -6.212  -2.873
  340    HE1  PHE  45           HE1      PHE  45  62.799  -9.299  -4.744
  341    HE2  PHE  45           HE2      PHE  45  59.080  -8.637  -2.764
  342    HZ   PHE  45           HZ       PHE  45  60.754 -10.180  -3.696
  343    H    THR  46           H        THR  46  62.178  -1.920  -2.976
  344    HA   THR  46           HA       THR  46  62.879  -0.075  -4.161
  345    HB   THR  46           HB       THR  46  64.406   0.114  -2.410
  346    HG1  THR  46           HG1      THR  46  66.117   1.038  -3.413
  347   1HG2  THR  46          3HG2      THR  46  65.971  -2.148  -3.659
  348   2HG2  THR  46          2HG2      THR  46  66.473  -1.228  -2.240
  349   3HG2  THR  46          1HG2      THR  46  65.018  -2.226  -2.177
  350    H    SER  47           H        SER  47  62.204  -1.581  -6.106
  351    HA   SER  47           HA       SER  47  62.562  -2.256  -8.271
  352   1HB   SER  47          2HB       SER  47  64.265  -0.717  -9.464
  353   2HB   SER  47          1HB       SER  47  62.793  -0.009  -8.809
  354    HG   SER  47           HG       SER  47  64.156   1.248  -7.767
  355    H    LYS  48           H        LYS  48  64.289  -3.494  -6.127
  356    HA   LYS  48           HA       LYS  48  66.888  -3.952  -6.832
  357   1HB   LYS  48          2HB       LYS  48  64.799  -5.479  -5.429
  358   2HB   LYS  48          1HB       LYS  48  66.117  -6.453  -6.076
  359   1HG   LYS  48          2HG       LYS  48  66.543  -4.011  -4.346
  360   2HG   LYS  48          1HG       LYS  48  66.446  -5.650  -3.712
  361   1HD   LYS  48          2HD       LYS  48  68.645  -5.820  -4.080
  362   2HD   LYS  48          1HD       LYS  48  68.283  -5.826  -5.803
  363   1HE   LYS  48          2HE       LYS  48  69.901  -4.112  -5.459
  364   2HE   LYS  48          1HE       LYS  48  68.360  -3.297  -5.710
  365   1HZ   LYS  48          2HZ       LYS  48  68.167  -3.264  -3.218
  366   2HZ   LYS  48          1HZ       LYS  48  69.800  -3.731  -3.163
  367   3HZ   LYS  48          3HZ       LYS  48  69.364  -2.258  -3.883
  368    H    ALA  49           H        ALA  49  64.101  -5.872  -7.948
  369    HA   ALA  49           HA       ALA  49  65.260  -7.647  -9.626
  370   1HB   ALA  49          2HB       ALA  49  62.675  -6.146  -9.816
  371   2HB   ALA  49          1HB       ALA  49  63.141  -7.284 -11.082
  372   3HB   ALA  49          3HB       ALA  49  62.951  -7.843  -9.418
  373    H    SER  50           H        SER  50  65.618  -7.722 -11.923
  374    HA   SER  50           HA       SER  50  66.595  -6.985 -13.859
  375   1HB   SER  50          2HB       SER  50  65.569  -5.202 -14.934
  376   2HB   SER  50          1HB       SER  50  64.329  -5.708 -13.793
  377    HG   SER  50           HG       SER  50  64.948  -3.348 -13.929
   
  No H/Q in entry =         377
  Start of MODEL   11
    1   1H    ALA   1          1H        ALA   1  19.295 -29.894   9.987
    2   2H    ALA   1          3H        ALA   1  19.106 -28.212  10.081
    3   3H    ALA   1          2H        ALA   1  19.332 -28.957   8.571
    4    HA   ALA   1           HA       ALA   1  21.426 -28.214   8.902
    5   1HB   ALA   1          3HB       ALA   1  21.011 -28.734  11.865
    6   2HB   ALA   1          2HB       ALA   1  22.490 -28.088  11.151
    7   3HB   ALA   1          1HB       ALA   1  20.990 -27.155  11.076
    8    H    GLU   2           H        GLU   2  20.960 -30.514   7.840
    9    HA   GLU   2           HA       GLU   2  23.191 -32.098   8.315
   10   1HB   GLU   2          2HB       GLU   2  21.525 -32.553  10.358
   11   2HB   GLU   2          1HB       GLU   2  20.852 -33.694   9.197
   12   1HG   GLU   2          2HG       GLU   2  22.475 -35.130   9.747
   13   2HG   GLU   2          1HG       GLU   2  23.648 -34.005   9.060
   14    H    GLY   3           H        GLY   3  21.903 -31.029   6.110
   15   1HA   GLY   3          2HA       GLY   3  20.693 -33.315   4.743
   16   2HA   GLY   3          1HA       GLY   3  20.556 -31.638   4.231
   17    H    ASP   4           H        ASP   4  21.805 -34.402   3.247
   18    HA   ASP   4           HA       ASP   4  24.530 -33.970   2.739
   19   1HB   ASP   4          2HB       ASP   4  22.724 -35.982   2.227
   20   2HB   ASP   4          1HB       ASP   4  23.112 -35.389   0.612
   21    H    ASP   5           H        ASP   5  21.649 -32.900   1.070
   22    HA   ASP   5           HA       ASP   5  22.855 -30.701  -0.159
   23   1HB   ASP   5          2HB       ASP   5  23.996 -32.486  -1.489
   24   2HB   ASP   5          1HB       ASP   5  22.413 -32.987  -2.082
   25    HA   PRO   6           HA       PRO   6  18.268 -30.788  -0.271
   26   1HB   PRO   6          2HB       PRO   6  17.881 -28.471   1.072
   27   2HB   PRO   6          1HB       PRO   6  18.099 -30.035   1.871
   28   1HG   PRO   6          2HG       PRO   6  19.966 -27.769   1.635
   29   2HG   PRO   6          1HG       PRO   6  19.875 -29.035   2.869
   30   1HD   PRO   6          2HD       PRO   6  21.696 -28.899   0.715
   31   2HD   PRO   6          1HD       PRO   6  21.449 -30.264   1.819
   32    H    ALA   7           H        ALA   7  20.668 -28.514  -1.244
   33    HA   ALA   7           HA       ALA   7  20.788 -27.273  -3.194
   34   1HB   ALA   7          3HB       ALA   7  18.541 -28.731  -3.747
   35   2HB   ALA   7          2HB       ALA   7  17.904 -27.085  -3.727
   36   3HB   ALA   7          1HB       ALA   7  19.233 -27.506  -4.811
   37    H    LYS   8           H        LYS   8  17.927 -26.667  -1.178
   38    HA   LYS   8           HA       LYS   8  17.827 -23.884  -1.561
   39   1HB   LYS   8          2HB       LYS   8  16.292 -23.856   0.222
   40   2HB   LYS   8          1HB       LYS   8  16.036 -25.383  -0.603
   41   1HG   LYS   8          2HG       LYS   8  16.135 -26.217   1.572
   42   2HG   LYS   8          1HG       LYS   8  17.864 -26.155   1.247
   43   1HD   LYS   8          2HD       LYS   8  17.183 -25.137   3.437
   44   2HD   LYS   8          1HD       LYS   8  18.129 -24.086   2.392
   45   1HE   LYS   8          2HE       LYS   8  16.026 -23.126   3.599
   46   2HE   LYS   8          1HE       LYS   8  16.309 -22.705   1.911
   47   1HZ   LYS   8          1HZ       LYS   8  14.653 -25.041   2.631
   48   2HZ   LYS   8          3HZ       LYS   8  13.989 -23.481   2.622
   49   3HZ   LYS   8          2HZ       LYS   8  14.648 -24.131   1.198
   50    H    ALA   9           H        ALA   9  19.672 -25.913   0.596
   51    HA   ALA   9           HA       ALA   9  20.518 -24.107   2.522
   52   1HB   ALA   9          2HB       ALA   9  21.592 -26.606   1.355
   53   2HB   ALA   9          1HB       ALA   9  22.742 -25.593   2.232
   54   3HB   ALA   9          3HB       ALA   9  21.289 -26.181   3.041
   55    H    ALA  10           H        ALA  10  22.639 -25.094  -0.155
   56    HA   ALA  10           HA       ALA  10  24.493 -23.086  -0.017
   57   1HB   ALA  10          3HB       ALA  10  24.320 -25.146  -1.598
   58   2HB   ALA  10          2HB       ALA  10  23.545 -24.010  -2.705
   59   3HB   ALA  10          1HB       ALA  10  25.191 -23.712  -2.143
   60    H    PHE  11           H        PHE  11  21.288 -22.934  -1.438
   61    HA   PHE  11           HA       PHE  11  21.662 -20.389  -2.711
   62   1HB   PHE  11          2HB       PHE  11  19.809 -22.382  -2.910
   63   2HB   PHE  11          1HB       PHE  11  18.929 -21.176  -1.986
   64    HD1  PHE  11           HD2      PHE  11  21.042 -21.535  -5.046
   65    HD2  PHE  11           HD1      PHE  11  17.848 -19.410  -3.139
   66    HE1  PHE  11           HE2      PHE  11  20.612 -20.294  -7.127
   67    HE2  PHE  11           HE1      PHE  11  17.433 -18.178  -5.223
   68    HZ   PHE  11           HZ       PHE  11  18.812 -18.617  -7.217
   69    H    ASN  12           H        ASN  12  20.317 -21.499   0.361
   70    HA   ASN  12           HA       ASN  12  19.412 -18.903   1.189
   71   1HB   ASN  12          2HB       ASN  12  18.739 -21.346   1.984
   72   2HB   ASN  12          1HB       ASN  12  20.004 -21.042   3.175
   73   1HD2  ASN  12          2HD2      ASN  12  16.546 -19.753   4.186
   74   2HD2  ASN  12          1HD2      ASN  12  17.024 -21.214   3.397
   75    H    SER  13           H        SER  13  22.381 -20.694   1.407
   76    HA   SER  13           HA       SER  13  23.549 -19.083   3.492
   77   1HB   SER  13          2HB       SER  13  24.140 -21.535   2.475
   78   2HB   SER  13          1HB       SER  13  25.350 -20.535   1.669
   79    HG   SER  13           HG       SER  13  26.250 -21.101   3.600
   80    H    LEU  14           H        LEU  14  23.394 -19.027   0.014
   81    HA   LEU  14           HA       LEU  14  25.535 -17.197  -0.411
   82   1HB   LEU  14          2HB       LEU  14  24.815 -18.576  -2.233
   83   2HB   LEU  14          1HB       LEU  14  23.161 -17.990  -2.091
   84    HG   LEU  14           HG       LEU  14  23.896 -15.729  -2.731
   85   1HD1  LEU  14          2HD1      LEU  14  26.615 -17.026  -2.884
   86   2HD1  LEU  14          1HD1      LEU  14  26.229 -15.562  -3.788
   87   3HD1  LEU  14          3HD1      LEU  14  26.139 -15.558  -2.026
   88   1HD2  LEU  14          3HD2      LEU  14  24.547 -17.978  -4.636
   89   2HD2  LEU  14          2HD2      LEU  14  23.089 -16.983  -4.567
   90   3HD2  LEU  14          1HD2      LEU  14  24.611 -16.284  -5.123
   91    H    GLN  15           H        GLN  15  22.031 -16.845  -0.045
   92    HA   GLN  15           HA       GLN  15  21.956 -14.043  -0.514
   93   1HB   GLN  15          2HB       GLN  15  19.997 -15.556  -0.694
   94   2HB   GLN  15          1HB       GLN  15  20.013 -15.737   1.057
   95   1HG   GLN  15          2HG       GLN  15  18.401 -14.056   0.609
   96   2HG   GLN  15          1HG       GLN  15  19.833 -13.192   1.172
   97   1HE2  GLN  15          2HD2      GLN  15  18.593 -11.479  -1.860
   98   2HE2  GLN  15          1HD2      GLN  15  17.986 -11.834  -0.282
   99    H    ALA  16           H        ALA  16  22.399 -16.024   2.360
  100    HA   ALA  16           HA       ALA  16  22.172 -13.864   4.226
  101   1HB   ALA  16          2HB       ALA  16  21.872 -16.372   4.672
  102   2HB   ALA  16          1HB       ALA  16  23.634 -16.440   4.737
  103   3HB   ALA  16          3HB       ALA  16  22.748 -15.430   5.880
  104    H    SER  17           H        SER  17  24.521 -14.583   1.967
  105    HA   SER  17           HA       SER  17  26.609 -13.219   3.551
  106   1HB   SER  17          2HB       SER  17  26.735 -15.513   1.655
  107   2HB   SER  17          1HB       SER  17  28.082 -14.381   1.670
  108    HG   SER  17           HG       SER  17  27.363 -16.282   3.508
  109    H    ALA  18           H        ALA  18  24.921 -11.551   2.488
  110    HA   ALA  18           HA       ALA  18  25.518 -10.833  -0.241
  111   1HB   ALA  18          3HB       ALA  18  23.372 -10.412   1.354
  112   2HB   ALA  18          2HB       ALA  18  24.201  -8.862   1.510
  113   3HB   ALA  18          1HB       ALA  18  23.731  -9.454  -0.084
  114    H    THR  19           H        THR  19  27.878 -10.890   0.681
  115    HA   THR  19           HA       THR  19  28.694  -8.321   1.806
  116    HB   THR  19           HB       THR  19  29.640 -10.552   2.552
  117    HG1  THR  19           HG1      THR  19  31.600  -8.725   1.650
  118   1HG2  THR  19          1HG2      THR  19  30.315 -10.737  -0.226
  119   2HG2  THR  19          3HG2      THR  19  31.807 -10.659   0.710
  120   3HG2  THR  19          2HG2      THR  19  30.614 -11.912   1.057
  121    H    GLU  20           H        GLU  20  27.619  -8.670  -0.992
  122    HA   GLU  20           HA       GLU  20  29.875  -8.042  -2.698
  123   1HB   GLU  20          2HB       GLU  20  27.198  -8.975  -3.021
  124   2HB   GLU  20          1HB       GLU  20  27.404  -7.517  -3.978
  125   1HG   GLU  20          2HG       GLU  20  29.041 -10.051  -4.122
  126   2HG   GLU  20          1HG       GLU  20  27.988  -9.386  -5.368
  127    H    TYR  21           H        TYR  21  28.199  -6.305  -0.483
  128    HA   TYR  21           HA       TYR  21  28.116  -3.831  -2.059
  129   1HB   TYR  21          2HB       TYR  21  26.900  -4.675   0.551
  130   2HB   TYR  21          1HB       TYR  21  27.015  -2.978   0.110
  131    HD1  TYR  21           HD2      TYR  21  25.809  -6.270  -1.123
  132    HD2  TYR  21           HD1      TYR  21  25.309  -2.025  -1.265
  133    HE1  TYR  21           HE2      TYR  21  23.770  -6.549  -2.473
  134    HE2  TYR  21           HE1      TYR  21  23.271  -2.318  -2.611
  135    HH   TYR  21           HH       TYR  21  22.103  -3.814  -3.889
  136    H    ILE  22           H        ILE  22  29.939  -5.447   0.386
  137    HA   ILE  22           HA       ILE  22  31.198  -3.021   1.383
  138    HB   ILE  22           HB       ILE  22  31.790  -5.945   1.857
  139   1HG1  ILE  22          2HG1      ILE  22  29.574  -4.780   2.723
  140   2HG1  ILE  22          1HG1      ILE  22  30.478  -5.869   3.780
  141   1HG2  ILE  22          3HG2      ILE  22  33.775  -4.423   2.148
  142   2HG2  ILE  22          2HG2      ILE  22  32.885  -3.589   3.419
  143   3HG2  ILE  22          1HG2      ILE  22  33.314  -5.290   3.614
  144   1HD1  ILE  22          2HD1      ILE  22  31.418  -3.114   4.015
  145   2HD1  ILE  22          1HD1      ILE  22  29.696  -3.261   4.365
  146   3HD1  ILE  22          3HD1      ILE  22  30.864  -4.231   5.262
  147    H    GLY  23           H        GLY  23  31.857  -5.528  -0.971
  148   1HA   GLY  23          2HA       GLY  23  34.553  -5.405  -1.384
  149   2HA   GLY  23          1HA       GLY  23  33.385  -5.599  -2.687
  150    H    TYR  24           H        TYR  24  32.185  -2.944  -2.126
  151    HA   TYR  24           HA       TYR  24  33.862  -1.397  -3.862
  152   1HB   TYR  24          2HB       TYR  24  31.319  -0.791  -2.374
  153   2HB   TYR  24          1HB       TYR  24  32.132   0.396  -3.379
  154    HD1  TYR  24           HD1      TYR  24  32.501  -0.140  -5.840
  155    HD2  TYR  24           HD2      TYR  24  29.899  -2.448  -3.342
  156    HE1  TYR  24           HE1      TYR  24  31.389  -1.062  -7.830
  157    HE2  TYR  24           HE2      TYR  24  28.800  -3.358  -5.344
  158    HH   TYR  24           HH       TYR  24  28.754  -2.156  -8.136
  159    H    ALA  25           H        ALA  25  33.545  -1.702  -0.440
  160    HA   ALA  25           HA       ALA  25  34.629   0.874   0.233
  161   1HB   ALA  25          2HB       ALA  25  34.235  -1.644   1.850
  162   2HB   ALA  25          1HB       ALA  25  34.795  -0.110   2.520
  163   3HB   ALA  25          3HB       ALA  25  33.183  -0.228   1.812
  164    H    TRP  26           H        TRP  26  36.027  -1.942  -1.002
  165    HA   TRP  26           HA       TRP  26  38.544  -1.728   0.410
  166   1HB   TRP  26          2HB       TRP  26  37.278  -3.602  -1.421
  167   2HB   TRP  26          1HB       TRP  26  38.961  -3.305  -1.822
  168    HD1  TRP  26          1HD       TRP  26  36.832  -5.302   0.488
  169    HE1  TRP  26          1HE       TRP  26  38.271  -6.441   2.248
  170    HE3  TRP  26          3HE       TRP  26  41.255  -2.855  -0.292
  171    HZ2  TRP  26          2HZ       TRP  26  40.919  -6.368   3.198
  172    HZ3  TRP  26          3HZ       TRP  26  43.212  -3.447   1.081
  173    HH2  TRP  26           HH2      TRP  26  43.049  -5.186   2.811
  174    H    ALA  27           H        ALA  27  37.286  -0.979  -2.814
  175    HA   ALA  27           HA       ALA  27  39.645  -0.195  -4.061
  176   1HB   ALA  27          1HB       ALA  27  36.950  -0.186  -4.705
  177   2HB   ALA  27          3HB       ALA  27  37.395   1.521  -4.750
  178   3HB   ALA  27          2HB       ALA  27  38.269   0.355  -5.746
  179    H    MET  28           H        MET  28  37.767   1.416  -1.626
  180    HA   MET  28           HA       MET  28  39.065   3.982  -2.019
  181   1HB   MET  28          2HB       MET  28  36.827   2.931  -0.436
  182   2HB   MET  28          1HB       MET  28  37.801   4.113   0.417
  183   1HG   MET  28          2HG       MET  28  36.364   4.482  -2.220
  184   2HG   MET  28          1HG       MET  28  35.999   5.259  -0.688
  185   1HE   MET  28          1HE       MET  28  39.207   5.608   0.148
  186   2HE   MET  28          3HE       MET  28  39.454   7.308  -0.275
  187   3HE   MET  28          2HE       MET  28  37.997   6.814   0.584
  188    H    VAL  29           H        VAL  29  39.293   1.205   0.113
  189    HA   VAL  29           HA       VAL  29  41.113   2.421   1.959
  190    HB   VAL  29           HB       VAL  29  40.457  -0.473   1.414
  191   1HG1  VAL  29          2HG1      VAL  29  42.569   0.595   2.892
  192   2HG1  VAL  29          1HG1      VAL  29  41.354   0.130   4.085
  193   3HG1  VAL  29          3HG1      VAL  29  41.966  -1.062   2.938
  194   1HG2  VAL  29          1HG2      VAL  29  38.630   1.182   2.211
  195   2HG2  VAL  29          3HG2      VAL  29  38.827  -0.345   3.073
  196   3HG2  VAL  29          2HG2      VAL  29  39.494   1.142   3.750
  197    H    VAL  30           H        VAL  30  41.377   0.596  -1.019
  198    HA   VAL  30           HA       VAL  30  44.143  -0.024  -0.825
  199    HB   VAL  30           HB       VAL  30  42.248   0.176  -3.162
  200   1HG1  VAL  30          3HG1      VAL  30  45.120  -0.630  -3.009
  201   2HG1  VAL  30          2HG1      VAL  30  44.050  -1.371  -4.200
  202   3HG1  VAL  30          1HG1      VAL  30  44.301   0.375  -4.202
  203   1HG2  VAL  30          1HG2      VAL  30  42.835  -1.870  -1.156
  204   2HG2  VAL  30          3HG2      VAL  30  41.443  -1.696  -2.226
  205   3HG2  VAL  30          2HG2      VAL  30  42.919  -2.460  -2.817
  206    H    VAL  31           H        VAL  31  42.288   2.604  -2.311
  207    HA   VAL  31           HA       VAL  31  44.450   3.910  -3.552
  208    HB   VAL  31           HB       VAL  31  41.809   4.960  -2.558
  209   1HG1  VAL  31          1HG1      VAL  31  44.054   6.241  -3.967
  210   2HG1  VAL  31          3HG1      VAL  31  42.450   6.553  -4.632
  211   3HG1  VAL  31          2HG1      VAL  31  42.798   6.944  -2.946
  212   1HG2  VAL  31          2HG2      VAL  31  42.295   3.108  -4.538
  213   2HG2  VAL  31          1HG2      VAL  31  40.857   4.125  -4.413
  214   3HG2  VAL  31          3HG2      VAL  31  42.205   4.626  -5.434
  215    H    ILE  32           H        ILE  32  43.408   3.737  -0.293
  216    HA   ILE  32           HA       ILE  32  45.019   6.067   0.488
  217    HB   ILE  32           HB       ILE  32  43.071   4.380   2.055
  218   1HG1  ILE  32          2HG1      ILE  32  42.809   7.244   1.137
  219   2HG1  ILE  32          1HG1      ILE  32  42.138   5.872   0.257
  220   1HG2  ILE  32          3HG2      ILE  32  45.159   5.946   3.035
  221   2HG2  ILE  32          2HG2      ILE  32  43.725   6.963   3.188
  222   3HG2  ILE  32          1HG2      ILE  32  43.758   5.365   3.938
  223   1HD1  ILE  32          3HD1      ILE  32  41.484   6.058   3.150
  224   2HD1  ILE  32          2HD1      ILE  32  40.729   7.241   2.079
  225   3HD1  ILE  32          1HD1      ILE  32  40.487   5.515   1.798
  226    H    VAL  33           H        VAL  33  44.448   2.768   1.753
  227    HA   VAL  33           HA       VAL  33  46.981   2.706   3.083
  228    HB   VAL  33           HB       VAL  33  44.844   0.639   2.596
  229   1HG1  VAL  33          1HG1      VAL  33  47.286   0.500   4.348
  230   2HG1  VAL  33          3HG1      VAL  33  45.958  -0.661   4.362
  231   3HG1  VAL  33          2HG1      VAL  33  46.954  -0.477   2.917
  232   1HG2  VAL  33          2HG2      VAL  33  44.175   2.535   4.007
  233   2HG2  VAL  33          1HG2      VAL  33  44.266   1.033   4.931
  234   3HG2  VAL  33          3HG2      VAL  33  45.557   2.229   5.062
  235    H    GLY  34           H        GLY  34  45.550   0.992   0.303
  236   1HA   GLY  34          2HA       GLY  34  47.697  -0.635  -0.364
  237   2HA   GLY  34          1HA       GLY  34  46.523  -0.013  -1.523
  238    H    ALA  35           H        ALA  35  46.992   2.656  -1.523
  239    HA   ALA  35           HA       ALA  35  49.081   3.049  -3.274
  240   1HB   ALA  35          2HB       ALA  35  47.845   4.985  -1.313
  241   2HB   ALA  35          1HB       ALA  35  48.942   5.463  -2.611
  242   3HB   ALA  35          3HB       ALA  35  47.384   4.729  -2.998
  243    H    THR  36           H        THR  36  49.161   2.826   0.183
  244    HA   THR  36           HA       THR  36  51.872   3.859   0.411
  245    HB   THR  36           HB       THR  36  49.800   2.832   2.327
  246    HG1  THR  36           HG1      THR  36  49.767   4.890   2.951
  247   1HG2  THR  36          2HG2      THR  36  52.735   3.047   2.789
  248   2HG2  THR  36          1HG2      THR  36  51.637   3.546   4.080
  249   3HG2  THR  36          3HG2      THR  36  51.568   1.898   3.450
  250    H    ILE  37           H        ILE  37  50.243   0.732   1.078
  251    HA   ILE  37           HA       ILE  37  52.500  -0.788   1.622
  252    HB   ILE  37           HB       ILE  37  50.037  -1.667   0.125
  253   1HG1  ILE  37          2HG1      ILE  37  50.641  -1.595   3.069
  254   2HG1  ILE  37          1HG1      ILE  37  49.441  -0.627   2.225
  255   1HG2  ILE  37          2HG2      ILE  37  52.111  -3.234   1.653
  256   2HG2  ILE  37          1HG2      ILE  37  50.584  -3.898   1.063
  257   3HG2  ILE  37          3HG2      ILE  37  51.790  -3.308  -0.082
  258   1HD1  ILE  37          3HD1      ILE  37  48.740  -3.186   1.500
  259   2HD1  ILE  37          2HD1      ILE  37  49.293  -3.404   3.162
  260   3HD1  ILE  37          1HD1      ILE  37  47.994  -2.263   2.806
  261    H    GLY  38           H        GLY  38  51.304   0.432  -1.402
  262   1HA   GLY  38          2HA       GLY  38  52.816  -1.251  -3.144
  263   2HA   GLY  38          1HA       GLY  38  52.070   0.290  -3.566
  264    H    ILE  39           H        ILE  39  53.561   1.503  -1.208
  265    HA   ILE  39           HA       ILE  39  55.999   2.123  -2.704
  266    HB   ILE  39           HB       ILE  39  55.301   3.362  -0.077
  267   1HG1  ILE  39          2HG1      ILE  39  53.200   3.569  -1.128
  268   2HG1  ILE  39          1HG1      ILE  39  54.010   5.104  -1.342
  269   1HG2  ILE  39          1HG2      ILE  39  57.403   3.804  -1.468
  270   2HG2  ILE  39          3HG2      ILE  39  56.330   4.694  -2.550
  271   3HG2  ILE  39          2HG2      ILE  39  56.496   5.194  -0.866
  272   1HD1  ILE  39          1HD1      ILE  39  54.714   4.290  -3.635
  273   2HD1  ILE  39          3HD1      ILE  39  53.587   2.949  -3.406
  274   3HD1  ILE  39          2HD1      ILE  39  52.994   4.608  -3.424
  275    H    LYS  40           H        LYS  40  55.009   1.050   0.505
  276    HA   LYS  40           HA       LYS  40  57.517   0.667   1.656
  277   1HB   LYS  40          2HB       LYS  40  54.834   0.016   2.289
  278   2HB   LYS  40          1HB       LYS  40  55.778  -1.453   2.423
  279   1HG   LYS  40          2HG       LYS  40  56.097  -0.683   4.522
  280   2HG   LYS  40          1HG       LYS  40  57.457   0.110   3.741
  281   1HD   LYS  40          2HD       LYS  40  54.744   1.325   4.338
  282   2HD   LYS  40          1HD       LYS  40  56.241   1.671   5.187
  283   1HE   LYS  40          2HE       LYS  40  57.112   2.922   3.411
  284   2HE   LYS  40          1HE       LYS  40  56.033   2.181   2.221
  285   1HZ   LYS  40          1HZ       LYS  40  54.309   3.340   3.921
  286   2HZ   LYS  40          3HZ       LYS  40  55.599   4.440   3.947
  287   3HZ   LYS  40          2HZ       LYS  40  54.863   4.032   2.472
  288    H    LEU  41           H        LEU  41  55.575  -1.569  -0.284
  289    HA   LEU  41           HA       LEU  41  57.285  -3.783  -0.194
  290   1HB   LEU  41          2HB       LEU  41  55.210  -2.810  -2.118
  291   2HB   LEU  41          1HB       LEU  41  56.196  -4.203  -2.547
  292    HG   LEU  41           HG       LEU  41  54.518  -3.921  -0.046
  293   1HD1  LEU  41          2HD1      LEU  41  54.069  -5.488  -2.584
  294   2HD1  LEU  41          1HD1      LEU  41  53.150  -5.732  -1.097
  295   3HD1  LEU  41          3HD1      LEU  41  53.075  -4.181  -1.937
  296   1HD2  LEU  41          3HD2      LEU  41  56.653  -5.757  -0.729
  297   2HD2  LEU  41          2HD2      LEU  41  55.782  -5.562   0.792
  298   3HD2  LEU  41          1HD2      LEU  41  55.133  -6.613  -0.469
  299    H    PHE  42           H        PHE  42  57.441  -0.829  -2.037
  300    HA   PHE  42           HA       PHE  42  59.373  -1.742  -3.947
  301   1HB   PHE  42          2HB       PHE  42  57.724   0.269  -4.065
  302   2HB   PHE  42          1HB       PHE  42  58.991   1.132  -3.204
  303    HD1  PHE  42           HD1      PHE  42  58.515  -1.064  -6.186
  304    HD2  PHE  42           HD2      PHE  42  60.633   2.198  -4.427
  305    HE1  PHE  42           HE1      PHE  42  59.688  -0.676  -8.320
  306    HE2  PHE  42           HE2      PHE  42  61.807   2.585  -6.560
  307    HZ   PHE  42           HZ       PHE  42  61.334   1.148  -8.506
  308    H    LYS  43           H        LYS  43  59.556   0.402  -1.110
  309    HA   LYS  43           HA       LYS  43  62.321   0.815  -1.125
  310   1HB   LYS  43          2HB       LYS  43  60.266   0.864   1.061
  311   2HB   LYS  43          1HB       LYS  43  61.945   1.343   1.314
  312   1HG   LYS  43          2HG       LYS  43  60.857   2.546  -1.089
  313   2HG   LYS  43          1HG       LYS  43  59.860   2.916   0.304
  314   1HD   LYS  43          2HD       LYS  43  61.723   3.880   1.501
  315   2HD   LYS  43          1HD       LYS  43  62.859   3.321   0.278
  316   1HE   LYS  43          2HE       LYS  43  61.205   5.738   0.343
  317   2HE   LYS  43          1HE       LYS  43  62.688   5.404  -0.548
  318   1HZ   LYS  43          2HZ       LYS  43  61.365   4.166  -2.171
  319   2HZ   LYS  43          1HZ       LYS  43  59.946   4.565  -1.328
  320   3HZ   LYS  43          3HZ       LYS  43  60.870   5.787  -2.056
  321    H    LYS  44           H        LYS  44  60.450  -1.918  -0.075
  322    HA   LYS  44           HA       LYS  44  62.524  -3.019   1.599
  323   1HB   LYS  44          2HB       LYS  44  59.906  -3.352   1.671
  324   2HB   LYS  44          1HB       LYS  44  60.228  -4.618   0.508
  325   1HG   LYS  44          2HG       LYS  44  61.433  -5.924   2.050
  326   2HG   LYS  44          1HG       LYS  44  61.689  -4.558   3.141
  327   1HD   LYS  44          2HD       LYS  44  59.444  -4.566   3.863
  328   2HD   LYS  44          1HD       LYS  44  58.924  -5.589   2.526
  329   1HE   LYS  44          2HE       LYS  44  59.508  -6.441   5.111
  330   2HE   LYS  44          1HE       LYS  44  59.427  -7.498   3.705
  331   1HZ   LYS  44          2HZ       LYS  44  61.887  -6.131   4.661
  332   2HZ   LYS  44          1HZ       LYS  44  61.478  -7.745   5.001
  333   3HZ   LYS  44          3HZ       LYS  44  61.782  -7.267   3.403
  334    H    PHE  45           H        PHE  45  61.323  -3.482  -1.682
  335    HA   PHE  45           HA       PHE  45  63.162  -5.670  -2.238
  336   1HB   PHE  45          2HB       PHE  45  60.931  -4.308  -3.653
  337   2HB   PHE  45          1HB       PHE  45  62.164  -5.074  -4.628
  338    HD1  PHE  45           HD2      PHE  45  62.701  -7.559  -4.192
  339    HD2  PHE  45           HD1      PHE  45  59.173  -5.624  -2.693
  340    HE1  PHE  45           HE2      PHE  45  61.622  -9.741  -3.864
  341    HE2  PHE  45           HE1      PHE  45  58.120  -7.814  -2.377
  342    HZ   PHE  45           HZ       PHE  45  59.337  -9.872  -2.961
  343    H    THR  46           H        THR  46  62.783  -2.255  -3.020
  344    HA   THR  46           HA       THR  46  65.079  -2.258  -4.774
  345    HB   THR  46           HB       THR  46  64.550   0.062  -5.101
  346    HG1  THR  46           HG1      THR  46  63.022   1.098  -3.859
  347   1HG2  THR  46          3HG2      THR  46  62.877  -2.047  -5.728
  348   2HG2  THR  46          2HG2      THR  46  61.785  -0.830  -5.060
  349   3HG2  THR  46          1HG2      THR  46  62.820  -0.430  -6.433
  350    H    SER  47           H        SER  47  64.232  -0.889  -1.613
  351    HA   SER  47           HA       SER  47  67.015  -0.042  -1.240
  352   1HB   SER  47          2HB       SER  47  64.974   0.438   0.857
  353   2HB   SER  47          1HB       SER  47  66.266   1.481   0.279
  354    HG   SER  47           HG       SER  47  64.935   2.287  -1.175
  355    H    LYS  48           H        LYS  48  66.445  -2.859  -1.232
  356    HA   LYS  48           HA       LYS  48  66.078  -4.095   1.179
  357   1HB   LYS  48          2HB       LYS  48  67.583  -4.709  -1.277
  358   2HB   LYS  48          1HB       LYS  48  68.123  -5.576   0.157
  359   1HG   LYS  48          2HG       LYS  48  65.785  -6.373   0.504
  360   2HG   LYS  48          1HG       LYS  48  65.322  -5.551  -0.988
  361   1HD   LYS  48          2HD       LYS  48  67.498  -7.626  -0.871
  362   2HD   LYS  48          1HD       LYS  48  65.812  -8.035  -1.167
  363   1HE   LYS  48          2HE       LYS  48  65.826  -7.151  -3.272
  364   2HE   LYS  48          1HE       LYS  48  66.965  -5.877  -2.844
  365   1HZ   LYS  48          2HZ       LYS  48  67.912  -8.648  -2.871
  366   2HZ   LYS  48          1HZ       LYS  48  67.666  -7.867  -4.360
  367   3HZ   LYS  48          3HZ       LYS  48  68.748  -7.213  -3.228
  368    H    ALA  49           H        ALA  49  69.299  -3.319  -0.127
  369    HA   ALA  49           HA       ALA  49  70.374  -1.945   1.925
  370   1HB   ALA  49          3HB       ALA  49  70.113  -4.795   2.596
  371   2HB   ALA  49          2HB       ALA  49  71.715  -4.109   2.878
  372   3HB   ALA  49          1HB       ALA  49  70.300  -3.400   3.659
  373    H    SER  50           H        SER  50  70.817  -1.778  -0.645
  374    HA   SER  50           HA       SER  50  72.479  -1.586  -2.212
  375   1HB   SER  50          2HB       SER  50  74.657  -1.429  -1.478
  376   2HB   SER  50          1HB       SER  50  73.787  -1.195   0.034
  377    HG   SER  50           HG       SER  50  75.511  -3.160  -0.661
   
  No H/Q in entry =         377
  Start of MODEL   12
    1   1H    ALA   1          1H        ALA   1  -5.797 -11.009  -2.232
    2   2H    ALA   1          3H        ALA   1  -6.889  -9.838  -1.671
    3   3H    ALA   1          2H        ALA   1  -7.128 -10.564  -3.189
    4    HA   ALA   1           HA       ALA   1  -5.710  -9.231  -4.230
    5   1HB   ALA   1          1HB       ALA   1  -7.119  -7.646  -2.924
    6   2HB   ALA   1          3HB       ALA   1  -5.914  -7.669  -1.635
    7   3HB   ALA   1          2HB       ALA   1  -5.499  -7.003  -3.216
    8    H    GLU   2           H        GLU   2  -4.205 -11.252  -3.358
    9    HA   GLU   2           HA       GLU   2  -2.036 -11.884  -2.968
   10   1HB   GLU   2          2HB       GLU   2  -1.366  -8.947  -3.146
   11   2HB   GLU   2          1HB       GLU   2  -0.295 -10.315  -3.442
   12   1HG   GLU   2          2HG       GLU   2  -2.782  -9.844  -5.080
   13   2HG   GLU   2          1HG       GLU   2  -1.227  -9.123  -5.500
   14    H    GLY   3           H        GLY   3  -0.039 -11.188  -1.483
   15   1HA   GLY   3          2HA       GLY   3  -0.887 -11.426   1.176
   16   2HA   GLY   3          1HA       GLY   3   0.746 -11.003   0.662
   17    H    ASP   4           H        ASP   4  -0.819  -9.959   2.915
   18    HA   ASP   4           HA       ASP   4  -0.578  -7.103   2.270
   19   1HB   ASP   4          2HB       ASP   4  -3.039  -8.199   2.347
   20   2HB   ASP   4          1HB       ASP   4  -2.822  -7.831   4.058
   21    H    ASP   5           H        ASP   5   1.443  -8.150   3.476
   22    HA   ASP   5           HA       ASP   5   1.622  -6.908   5.978
   23   1HB   ASP   5          2HB       ASP   5   0.153  -9.039   6.414
   24   2HB   ASP   5          1HB       ASP   5   1.707  -9.872   6.360
   25    HA   PRO   6           HA       PRO   6   5.650  -7.937   4.130
   26   1HB   PRO   6          2HB       PRO   6   6.759  -5.498   4.494
   27   2HB   PRO   6          1HB       PRO   6   5.730  -5.903   3.113
   28   1HG   PRO   6          2HG       PRO   6   5.132  -4.257   5.480
   29   2HG   PRO   6          1HG       PRO   6   4.424  -4.205   3.859
   30   1HD   PRO   6          2HD       PRO   6   3.289  -5.376   6.167
   31   2HD   PRO   6          1HD       PRO   6   2.696  -5.505   4.501
   32    H    ALA   7           H        ALA   7   4.787  -6.561   7.207
   33    HA   ALA   7           HA       ALA   7   5.740  -6.663   9.291
   34   1HB   ALA   7          2HB       ALA   7   5.636  -9.105   8.728
   35   2HB   ALA   7          1HB       ALA   7   7.304  -8.988   8.159
   36   3HB   ALA   7          3HB       ALA   7   6.924  -8.677   9.855
   37    H    LYS   8           H        LYS   8   7.040  -5.133   7.087
   38    HA   LYS   8           HA       LYS   8   8.970  -4.111   6.497
   39   1HB   LYS   8          2HB       LYS   8  10.019  -3.240   8.718
   40   2HB   LYS   8          1HB       LYS   8   8.577  -2.586   8.008
   41   1HG   LYS   8          2HG       LYS   8   7.178  -3.847   9.539
   42   2HG   LYS   8          1HG       LYS   8   8.579  -4.726  10.144
   43   1HD   LYS   8          2HD       LYS   8   7.639  -2.759  11.564
   44   2HD   LYS   8          1HD       LYS   8   9.378  -2.925  11.378
   45   1HE   LYS   8          2HE       LYS   8   8.406  -0.572  11.118
   46   2HE   LYS   8          1HE       LYS   8   9.502  -1.115   9.849
   47   1HZ   LYS   8          3HZ       LYS   8   6.865  -1.864   9.192
   48   2HZ   LYS   8          2HZ       LYS   8   6.882  -0.214   9.590
   49   3HZ   LYS   8          1HZ       LYS   8   7.903  -0.806   8.370
   50    H    ALA   9           H        ALA   9  10.048  -5.951   5.737
   51    HA   ALA   9           HA       ALA   9  12.001  -7.261   7.473
   52   1HB   ALA   9          1HB       ALA   9  10.500  -8.258   5.469
   53   2HB   ALA   9          3HB       ALA   9  11.960  -7.838   4.570
   54   3HB   ALA   9          2HB       ALA   9  12.057  -8.943   5.943
   55    H    ALA  10           H        ALA  10  11.884  -5.248   4.560
   56    HA   ALA  10           HA       ALA  10  14.752  -5.012   4.370
   57   1HB   ALA  10          1HB       ALA  10  12.399  -4.072   2.857
   58   2HB   ALA  10          3HB       ALA  10  13.797  -2.995   2.823
   59   3HB   ALA  10          2HB       ALA  10  13.957  -4.666   2.276
   60    H    PHE  11           H        PHE  11  12.176  -3.331   5.960
   61    HA   PHE  11           HA       PHE  11  13.620  -0.871   6.379
   62   1HB   PHE  11          2HB       PHE  11  10.959  -1.847   6.817
   63   2HB   PHE  11          1HB       PHE  11  11.570  -1.155   8.308
   64    HD1  PHE  11           HD2      PHE  11  12.532   1.216   8.246
   65    HD2  PHE  11           HD1      PHE  11  10.216  -0.442   5.041
   66    HE1  PHE  11           HE2      PHE  11  12.075   3.476   7.392
   67    HE2  PHE  11           HE1      PHE  11   9.773   1.824   4.202
   68    HZ   PHE  11           HZ       PHE  11  10.698   3.782   5.373
   69    H    ASN  12           H        ASN  12  12.542  -3.484   8.565
   70    HA   ASN  12           HA       ASN  12  13.902  -2.662  10.851
   71   1HB   ASN  12          2HB       ASN  12  12.196  -4.548  10.601
   72   2HB   ASN  12          1HB       ASN  12  13.552  -5.557  10.092
   73   1HD2  ASN  12          2HD2      ASN  12  13.822  -6.334  13.513
   74   2HD2  ASN  12          1HD2      ASN  12  13.298  -6.865  11.954
   75    H    SER  13           H        SER  13  15.000  -4.800   8.232
   76    HA   SER  13           HA       SER  13  17.541  -5.401   9.299
   77   1HB   SER  13          2HB       SER  13  16.222  -6.306   7.162
   78   2HB   SER  13          1HB       SER  13  17.245  -5.116   6.353
   79    HG   SER  13           HG       SER  13  18.868  -6.428   6.597
   80    H    LEU  14           H        LEU  14  16.293  -2.623   7.627
   81    HA   LEU  14           HA       LEU  14  18.716  -1.470   6.785
   82   1HB   LEU  14          2HB       LEU  14  16.298  -0.835   6.184
   83   2HB   LEU  14          1HB       LEU  14  16.288   0.089   7.674
   84    HG   LEU  14           HG       LEU  14  16.818   1.630   6.002
   85   1HD1  LEU  14          2HD1      LEU  14  18.382   1.593   8.035
   86   2HD1  LEU  14          1HD1      LEU  14  19.591   0.930   6.935
   87   3HD1  LEU  14          3HD1      LEU  14  18.899   2.522   6.628
   88   1HD2  LEU  14          1HD2      LEU  14  17.377  -0.075   4.244
   89   2HD2  LEU  14          3HD2      LEU  14  18.422   1.347   4.238
   90   3HD2  LEU  14          2HD2      LEU  14  19.000  -0.167   4.932
   91    H    GLN  15           H        GLN  15  16.857  -1.186   9.777
   92    HA   GLN  15           HA       GLN  15  18.530   0.724  11.042
   93   1HB   GLN  15          2HB       GLN  15  16.275   0.383  11.819
   94   2HB   GLN  15          1HB       GLN  15  16.592  -1.314  12.147
   95   1HG   GLN  15          2HG       GLN  15  18.346  -0.529  13.811
   96   2HG   GLN  15          1HG       GLN  15  17.672   1.088  13.615
   97   1HE2  GLN  15          2HD2      GLN  15  15.696   0.120  16.381
   98   2HE2  GLN  15          1HD2      GLN  15  17.123   0.957  15.882
   99    H    ALA  16           H        ALA  16  18.461  -2.797  10.985
  100    HA   ALA  16           HA       ALA  16  20.744  -2.981  12.794
  101   1HB   ALA  16          2HB       ALA  16  18.619  -4.734  11.904
  102   2HB   ALA  16          1HB       ALA  16  20.196  -5.516  11.778
  103   3HB   ALA  16          3HB       ALA  16  19.657  -4.861  13.325
  104    H    SER  17           H        SER  17  20.731  -1.949   9.850
  105    HA   SER  17           HA       SER  17  23.176  -3.391   9.096
  106   1HB   SER  17          2HB       SER  17  20.866  -2.835   7.231
  107   2HB   SER  17          1HB       SER  17  22.444  -3.435   6.737
  108    HG   SER  17           HG       SER  17  20.540  -4.709   8.429
  109    H    ALA  18           H        ALA  18  23.656  -1.190  10.248
  110    HA   ALA  18           HA       ALA  18  23.456   1.122   8.497
  111   1HB   ALA  18          2HB       ALA  18  23.834   0.667  11.293
  112   2HB   ALA  18          1HB       ALA  18  25.172   1.646  10.687
  113   3HB   ALA  18          3HB       ALA  18  23.508   2.186  10.454
  114    H    THR  19           H        THR  19  25.477  -1.500   8.588
  115    HA   THR  19           HA       THR  19  27.912  -0.003   7.941
  116    HB   THR  19           HB       THR  19  27.925  -1.998   9.498
  117    HG1  THR  19           HG1      THR  19  29.841  -1.300   8.619
  118   1HG2  THR  19          3HG2      THR  19  26.756  -3.277   7.189
  119   2HG2  THR  19          2HG2      THR  19  28.289  -4.047   7.593
  120   3HG2  THR  19          1HG2      THR  19  27.015  -3.931   8.808
  121    H    GLU  20           H        GLU  20  25.534  -0.064   6.195
  122    HA   GLU  20           HA       GLU  20  26.332  -1.645   3.905
  123   1HB   GLU  20          2HB       GLU  20  23.917  -0.949   4.805
  124   2HB   GLU  20          1HB       GLU  20  24.193   0.409   3.723
  125   1HG   GLU  20          2HG       GLU  20  24.748  -1.329   1.927
  126   2HG   GLU  20          1HG       GLU  20  24.052  -2.523   3.027
  127    H    TYR  21           H        TYR  21  26.839   1.481   5.114
  128    HA   TYR  21           HA       TYR  21  27.476   2.654   2.522
  129   1HB   TYR  21          2HB       TYR  21  27.261   3.685   5.319
  130   2HB   TYR  21          1HB       TYR  21  28.160   4.604   4.120
  131    HD1  TYR  21           HD2      TYR  21  26.997   5.438   2.075
  132    HD2  TYR  21           HD1      TYR  21  24.877   3.601   5.299
  133    HE1  TYR  21           HE2      TYR  21  24.884   6.381   1.231
  134    HE2  TYR  21           HE1      TYR  21  22.771   4.548   4.447
  135    HH   TYR  21           HH       TYR  21  21.830   5.387   2.383
  136    H    ILE  22           H        ILE  22  29.061   1.086   5.154
  137    HA   ILE  22           HA       ILE  22  31.679   2.166   4.484
  138    HB   ILE  22           HB       ILE  22  30.743   0.130   6.501
  139   1HG1  ILE  22          2HG1      ILE  22  30.217   2.646   6.795
  140   2HG1  ILE  22          1HG1      ILE  22  30.965   1.806   8.162
  141   1HG2  ILE  22          2HG2      ILE  22  33.025  -0.441   5.835
  142   2HG2  ILE  22          1HG2      ILE  22  33.546   1.221   6.120
  143   3HG2  ILE  22          3HG2      ILE  22  33.020   0.218   7.473
  144   1HD1  ILE  22          3HD1      ILE  22  33.109   2.807   6.619
  145   2HD1  ILE  22          2HD1      ILE  22  31.915   4.103   6.702
  146   3HD1  ILE  22          1HD1      ILE  22  32.539   3.382   8.184
  147    H    GLY  23           H        GLY  23  29.734  -0.371   3.360
  148   1HA   GLY  23          2HA       GLY  23  31.720  -2.347   2.842
  149   2HA   GLY  23          1HA       GLY  23  30.131  -2.241   2.083
  150    H    TYR  24           H        TYR  24  30.292   0.255   0.894
  151    HA   TYR  24           HA       TYR  24  31.800  -0.331  -1.459
  152   1HB   TYR  24          2HB       TYR  24  30.538   2.300  -0.712
  153   2HB   TYR  24          1HB       TYR  24  30.923   1.719  -2.323
  154    HD1  TYR  24           HD1      TYR  24  29.728  -0.411  -3.136
  155    HD2  TYR  24           HD2      TYR  24  28.388   1.886   0.218
  156    HE1  TYR  24           HE1      TYR  24  27.493  -1.423  -3.322
  157    HE2  TYR  24           HE2      TYR  24  26.162   0.866   0.016
  158    HH   TYR  24           HH       TYR  24  25.000  -0.552  -2.545
  159    H    ALA  25           H        ALA  25  32.424   1.432   1.452
  160    HA   ALA  25           HA       ALA  25  34.477   3.153   0.519
  161   1HB   ALA  25          3HB       ALA  25  33.307   3.425   2.691
  162   2HB   ALA  25          2HB       ALA  25  34.121   1.974   3.280
  163   3HB   ALA  25          1HB       ALA  25  35.062   3.408   2.863
  164    H    TRP  26           H        TRP  26  34.388  -0.200   1.478
  165    HA   TRP  26           HA       TRP  26  37.090  -0.692   1.975
  166   1HB   TRP  26          2HB       TRP  26  34.716  -2.249   1.456
  167   2HB   TRP  26          1HB       TRP  26  36.095  -2.941   0.625
  168    HD1  TRP  26          1HD       TRP  26  34.406  -3.162   3.841
  169    HE1  TRP  26          1HE       TRP  26  35.956  -4.105   5.637
  170    HE3  TRP  26          3HE       TRP  26  38.918  -2.702   1.461
  171    HZ2  TRP  26          2HZ       TRP  26  38.686  -4.608   6.035
  172    HZ3  TRP  26          3HZ       TRP  26  40.965  -3.441   2.612
  173    HH2  TRP  26           HH2      TRP  26  40.854  -4.385   4.879
  174    H    ALA  27           H        ALA  27  35.392  -0.125  -1.000
  175    HA   ALA  27           HA       ALA  27  37.386  -1.191  -2.757
  176   1HB   ALA  27          2HB       ALA  27  34.788  -0.319  -3.045
  177   2HB   ALA  27          1HB       ALA  27  35.718   0.950  -3.845
  178   3HB   ALA  27          3HB       ALA  27  35.884  -0.726  -4.367
  179    H    MET  28           H        MET  28  36.564   2.067  -1.618
  180    HA   MET  28           HA       MET  28  38.649   3.367  -3.059
  181   1HB   MET  28          2HB       MET  28  36.554   4.113  -1.152
  182   2HB   MET  28          1HB       MET  28  38.036   5.025  -0.931
  183   1HG   MET  28          2HG       MET  28  36.251   5.983  -2.531
  184   2HG   MET  28          1HG       MET  28  37.917   5.981  -3.079
  185   1HE   MET  28          2HE       MET  28  34.850   6.061  -4.218
  186   2HE   MET  28          1HE       MET  28  35.859   6.248  -5.650
  187   3HE   MET  28          3HE       MET  28  34.647   4.962  -5.581
  188    H    VAL  29           H        VAL  29  38.320   2.097   0.212
  189    HA   VAL  29           HA       VAL  29  40.641   3.143   1.354
  190    HB   VAL  29           HB       VAL  29  39.263   0.507   1.844
  191   1HG1  VAL  29          1HG1      VAL  29  41.248   2.018   3.538
  192   2HG1  VAL  29          3HG1      VAL  29  40.335   0.603   4.062
  193   3HG1  VAL  29          2HG1      VAL  29  41.507   0.461   2.751
  194   1HG2  VAL  29          3HG2      VAL  29  38.506   3.212   2.377
  195   2HG2  VAL  29          2HG2      VAL  29  37.637   1.723   2.755
  196   3HG2  VAL  29          1HG2      VAL  29  38.800   2.382   3.907
  197    H    VAL  30           H        VAL  30  40.145   0.342  -0.722
  198    HA   VAL  30           HA       VAL  30  42.693  -0.828  -0.413
  199    HB   VAL  30           HB       VAL  30  40.727  -0.924  -2.698
  200   1HG1  VAL  30          3HG1      VAL  30  43.362  -2.110  -2.322
  201   2HG1  VAL  30          2HG1      VAL  30  42.103  -3.289  -2.699
  202   3HG1  VAL  30          1HG1      VAL  30  42.397  -1.929  -3.785
  203   1HG2  VAL  30          3HG2      VAL  30  40.429  -1.844  -0.116
  204   2HG2  VAL  30          2HG2      VAL  30  39.542  -2.423  -1.529
  205   3HG2  VAL  30          1HG2      VAL  30  40.995  -3.269  -0.988
  206    H    VAL  31           H        VAL  31  41.422   1.683  -2.534
  207    HA   VAL  31           HA       VAL  31  43.718   1.846  -4.211
  208    HB   VAL  31           HB       VAL  31  41.489   3.802  -3.694
  209   1HG1  VAL  31          2HG1      VAL  31  43.878   3.921  -5.364
  210   2HG1  VAL  31          1HG1      VAL  31  42.380   4.236  -6.240
  211   3HG1  VAL  31          3HG1      VAL  31  42.798   5.209  -4.830
  212   1HG2  VAL  31          1HG2      VAL  31  40.777   1.583  -4.554
  213   2HG2  VAL  31          3HG2      VAL  31  40.469   2.895  -5.693
  214   3HG2  VAL  31          2HG2      VAL  31  41.841   1.814  -5.944
  215    H    ILE  32           H        ILE  32  42.938   3.026  -1.100
  216    HA   ILE  32           HA       ILE  32  44.969   5.130  -1.178
  217    HB   ILE  32           HB       ILE  32  43.078   4.277   1.011
  218   1HG1  ILE  32          2HG1      ILE  32  42.991   6.649  -0.861
  219   2HG1  ILE  32          1HG1      ILE  32  41.943   5.235  -0.943
  220   1HG2  ILE  32          2HG2      ILE  32  45.254   6.292   0.877
  221   2HG2  ILE  32          1HG2      ILE  32  43.767   6.754   1.710
  222   3HG2  ILE  32          3HG2      ILE  32  44.674   5.337   2.244
  223   1HD1  ILE  32          1HD1      ILE  32  42.055   6.664   1.659
  224   2HD1  ILE  32          3HD1      ILE  32  41.232   7.485   0.332
  225   3HD1  ILE  32          2HD1      ILE  32  40.690   5.889   0.853
  226    H    VAL  33           H        VAL  33  44.213   2.162   0.635
  227    HA   VAL  33           HA       VAL  33  46.590   2.129   2.161
  228    HB   VAL  33           HB       VAL  33  44.623  -0.019   1.392
  229   1HG1  VAL  33          3HG1      VAL  33  47.145  -0.154   2.826
  230   2HG1  VAL  33          2HG1      VAL  33  45.782  -0.779   3.758
  231   3HG1  VAL  33          1HG1      VAL  33  46.143  -1.445   2.164
  232   1HG2  VAL  33          3HG2      VAL  33  43.721   1.876   2.706
  233   2HG2  VAL  33          2HG2      VAL  33  43.677   0.347   3.587
  234   3HG2  VAL  33          1HG2      VAL  33  44.920   1.544   3.959
  235    H    GLY  34           H        GLY  34  45.784   1.121  -1.060
  236   1HA   GLY  34          2HA       GLY  34  47.869  -0.762  -1.471
  237   2HA   GLY  34          1HA       GLY  34  46.979   0.089  -2.734
  238    H    ALA  35           H        ALA  35  47.588   2.670  -2.424
  239    HA   ALA  35           HA       ALA  35  50.027   3.071  -3.624
  240   1HB   ALA  35          1HB       ALA  35  48.032   4.711  -3.011
  241   2HB   ALA  35          3HB       ALA  35  49.111   5.139  -1.682
  242   3HB   ALA  35          2HB       ALA  35  49.653   5.322  -3.351
  243    H    THR  36           H        THR  36  49.321   2.593  -0.261
  244    HA   THR  36           HA       THR  36  51.857   3.452   0.764
  245    HB   THR  36           HB       THR  36  49.567   1.845   1.881
  246    HG1  THR  36           HG1      THR  36  49.178   4.035   1.711
  247   1HG2  THR  36          2HG2      THR  36  52.219   2.480   3.137
  248   2HG2  THR  36          1HG2      THR  36  50.765   2.269   4.116
  249   3HG2  THR  36          3HG2      THR  36  51.345   0.946   3.102
  250    H    ILE  37           H        ILE  37  50.382   0.255   0.155
  251    HA   ILE  37           HA       ILE  37  52.480  -1.372   0.933
  252    HB   ILE  37           HB       ILE  37  50.654  -1.776  -1.431
  253   1HG1  ILE  37          2HG1      ILE  37  49.305  -1.301   0.488
  254   2HG1  ILE  37          1HG1      ILE  37  49.262  -3.036   0.220
  255   1HG2  ILE  37          3HG2      ILE  37  52.634  -3.309  -1.237
  256   2HG2  ILE  37          2HG2      ILE  37  51.976  -3.854   0.308
  257   3HG2  ILE  37          1HG2      ILE  37  51.063  -4.112  -1.181
  258   1HD1  ILE  37          1HD1      ILE  37  51.419  -2.753   1.910
  259   2HD1  ILE  37          3HD1      ILE  37  50.295  -1.530   2.504
  260   3HD1  ILE  37          2HD1      ILE  37  49.789  -3.218   2.402
  261    H    GLY  38           H        GLY  38  52.026   0.427  -2.051
  262   1HA   GLY  38          2HA       GLY  38  54.013  -0.654  -3.665
  263   2HA   GLY  38          1HA       GLY  38  53.497   1.034  -3.706
  264    H    ILE  39           H        ILE  39  54.367   2.384  -1.896
  265    HA   ILE  39           HA       ILE  39  57.097   2.668  -2.065
  266    HB   ILE  39           HB       ILE  39  55.268   3.430   0.212
  267   1HG1  ILE  39          2HG1      ILE  39  56.188   5.504  -1.637
  268   2HG1  ILE  39          1HG1      ILE  39  55.202   4.270  -2.411
  269   1HG2  ILE  39          3HG2      ILE  39  58.124   3.764  -0.191
  270   2HG2  ILE  39          2HG2      ILE  39  57.287   5.299   0.049
  271   3HG2  ILE  39          1HG2      ILE  39  57.146   4.020   1.255
  272   1HD1  ILE  39          3HD1      ILE  39  54.124   5.142   0.160
  273   2HD1  ILE  39          2HD1      ILE  39  54.239   6.444  -1.026
  274   3HD1  ILE  39          1HD1      ILE  39  53.324   4.983  -1.406
  275    H    LYS  40           H        LYS  40  55.262   0.891   0.419
  276    HA   LYS  40           HA       LYS  40  57.342   0.186   2.111
  277   1HB   LYS  40          2HB       LYS  40  54.654  -0.469   1.859
  278   2HB   LYS  40          1HB       LYS  40  55.503  -1.988   1.678
  279   1HG   LYS  40          2HG       LYS  40  55.350  -2.018   3.925
  280   2HG   LYS  40          1HG       LYS  40  56.846  -1.103   3.794
  281   1HD   LYS  40          2HD       LYS  40  54.059   0.037   4.139
  282   2HD   LYS  40          1HD       LYS  40  55.282  -0.069   5.392
  283   1HE   LYS  40          2HE       LYS  40  56.577   1.643   4.455
  284   2HE   LYS  40          1HE       LYS  40  55.834   1.470   2.857
  285   1HZ   LYS  40          3HZ       LYS  40  53.723   2.113   4.340
  286   2HZ   LYS  40          2HZ       LYS  40  54.941   2.959   5.168
  287   3HZ   LYS  40          1HZ       LYS  40  54.680   3.244   3.514
  288    H    LEU  41           H        LEU  41  56.141  -1.573  -0.727
  289    HA   LEU  41           HA       LEU  41  57.944  -3.708  -0.662
  290   1HB   LEU  41          2HB       LEU  41  56.346  -2.372  -2.806
  291   2HB   LEU  41          1HB       LEU  41  57.532  -3.589  -3.258
  292    HG   LEU  41           HG       LEU  41  55.452  -4.083  -1.138
  293   1HD1  LEU  41          2HD1      LEU  41  55.215  -4.454  -4.117
  294   2HD1  LEU  41          1HD1      LEU  41  54.196  -5.313  -2.958
  295   3HD1  LEU  41          3HD1      LEU  41  54.145  -3.550  -3.041
  296   1HD2  LEU  41          3HD2      LEU  41  57.499  -5.578  -1.376
  297   2HD2  LEU  41          2HD2      LEU  41  55.928  -6.378  -1.427
  298   3HD2  LEU  41          1HD2      LEU  41  56.818  -6.090  -2.923
  299    H    PHE  42           H        PHE  42  58.354  -0.415  -1.674
  300    HA   PHE  42           HA       PHE  42  60.725  -0.789  -3.228
  301   1HB   PHE  42          2HB       PHE  42  59.056   1.188  -3.200
  302   2HB   PHE  42          1HB       PHE  42  60.002   1.764  -1.834
  303    HD1  PHE  42           HD1      PHE  42  62.681   1.582  -2.330
  304    HD2  PHE  42           HD2      PHE  42  59.590   2.069  -5.241
  305    HE1  PHE  42           HE1      PHE  42  64.304   2.583  -3.893
  306    HE2  PHE  42           HE2      PHE  42  61.217   3.062  -6.802
  307    HZ   PHE  42           HZ       PHE  42  63.574   3.321  -6.127
  308    H    LYS  43           H        LYS  43  60.100   0.170   0.135
  309    HA   LYS  43           HA       LYS  43  62.736   0.765   0.854
  310   1HB   LYS  43          2HB       LYS  43  60.386  -0.218   2.444
  311   2HB   LYS  43          1HB       LYS  43  61.935   0.142   3.202
  312   1HG   LYS  43          2HG       LYS  43  60.690   2.187   1.395
  313   2HG   LYS  43          1HG       LYS  43  60.042   1.993   3.012
  314   1HD   LYS  43          2HD       LYS  43  61.765   3.064   3.972
  315   2HD   LYS  43          1HD       LYS  43  62.963   2.205   3.017
  316   1HE   LYS  43          2HE       LYS  43  62.605   4.813   2.759
  317   2HE   LYS  43          1HE       LYS  43  63.001   3.811   1.367
  318   1HZ   LYS  43          1HZ       LYS  43  60.178   4.210   2.060
  319   2HZ   LYS  43          3HZ       LYS  43  61.013   5.481   1.308
  320   3HZ   LYS  43          2HZ       LYS  43  60.896   3.971   0.540
  321    H    LYS  44           H        LYS  44  61.301  -2.262   0.127
  322    HA   LYS  44           HA       LYS  44  63.270  -3.774   1.656
  323   1HB   LYS  44          2HB       LYS  44  60.942  -4.564   1.557
  324   2HB   LYS  44          1HB       LYS  44  61.063  -4.731  -0.182
  325   1HG   LYS  44          2HG       LYS  44  63.253  -6.135   0.988
  326   2HG   LYS  44          1HG       LYS  44  61.776  -6.619   1.827
  327   1HD   LYS  44          2HD       LYS  44  60.786  -6.816  -0.588
  328   2HD   LYS  44          1HD       LYS  44  62.473  -6.896  -1.083
  329   1HE   LYS  44          2HE       LYS  44  60.999  -9.097  -0.400
  330   2HE   LYS  44          1HE       LYS  44  62.754  -9.014  -0.306
  331   1HZ   LYS  44          3HZ       LYS  44  60.915  -8.368   1.934
  332   2HZ   LYS  44          2HZ       LYS  44  61.700  -9.860   1.724
  333   3HZ   LYS  44          1HZ       LYS  44  62.607  -8.451   2.004
  334    H    PHE  45           H        PHE  45  62.259  -3.551  -1.771
  335    HA   PHE  45           HA       PHE  45  64.683  -4.873  -2.639
  336   1HB   PHE  45          2HB       PHE  45  62.195  -3.899  -3.935
  337   2HB   PHE  45          1HB       PHE  45  63.641  -3.974  -4.916
  338    HD1  PHE  45           HD2      PHE  45  64.982  -6.178  -4.941
  339    HD2  PHE  45           HD1      PHE  45  60.918  -5.890  -3.589
  340    HE1  PHE  45           HE2      PHE  45  64.685  -8.597  -5.268
  341    HE2  PHE  45           HE1      PHE  45  60.646  -8.307  -3.925
  342    HZ   PHE  45           HZ       PHE  45  62.523  -9.662  -4.763
  343    H    THR  46           H        THR  46  63.322  -1.600  -2.889
  344    HA   THR  46           HA       THR  46  64.280   0.351  -3.678
  345    HB   THR  46           HB       THR  46  64.949   0.511  -1.450
  346    HG1  THR  46           HG1      THR  46  67.145   1.306  -1.613
  347   1HG2  THR  46          2HG2      THR  46  67.045  -1.579  -2.049
  348   2HG2  THR  46          1HG2      THR  46  66.882  -0.722  -0.513
  349   3HG2  THR  46          3HG2      THR  46  65.591  -1.790  -1.072
  350    H    SER  47           H        SER  47  64.669  -1.581  -5.594
  351    HA   SER  47           HA       SER  47  65.972  -2.192  -7.385
  352   1HB   SER  47          2HB       SER  47  67.552  -0.264  -8.107
  353   2HB   SER  47          1HB       SER  47  65.813   0.000  -8.135
  354    HG   SER  47           HG       SER  47  67.603   0.749  -6.042
  355    H    LYS  48           H        LYS  48  66.917  -3.728  -5.655
  356    HA   LYS  48           HA       LYS  48  69.333  -3.409  -4.396
  357   1HB   LYS  48          2HB       LYS  48  68.000  -5.787  -5.645
  358   2HB   LYS  48          1HB       LYS  48  69.607  -5.944  -4.943
  359   1HG   LYS  48          2HG       LYS  48  67.459  -4.647  -3.314
  360   2HG   LYS  48          1HG       LYS  48  67.438  -6.396  -3.506
  361   1HD   LYS  48          2HD       LYS  48  69.979  -6.197  -2.854
  362   2HD   LYS  48          1HD       LYS  48  69.467  -4.668  -2.146
  363   1HE   LYS  48          2HE       LYS  48  69.308  -6.280  -0.412
  364   2HE   LYS  48          1HE       LYS  48  67.657  -5.972  -0.941
  365   1HZ   LYS  48          1HZ       LYS  48  69.099  -8.137  -2.259
  366   2HZ   LYS  48          3HZ       LYS  48  68.626  -8.398  -0.651
  367   3HZ   LYS  48          2HZ       LYS  48  67.459  -8.025  -1.828
  368    H    ALA  49           H        ALA  49  68.792  -4.488  -7.734
  369    HA   ALA  49           HA       ALA  49  71.254  -5.111  -8.618
  370   1HB   ALA  49          3HB       ALA  49  68.917  -3.805  -9.864
  371   2HB   ALA  49          2HB       ALA  49  70.439  -3.688 -10.749
  372   3HB   ALA  49          1HB       ALA  49  69.778  -5.272 -10.332
  373    H    SER  50           H        SER  50  70.215  -1.887  -9.586
  374    HA   SER  50           HA       SER  50  72.918  -0.908  -9.353
  375   1HB   SER  50          2HB       SER  50  72.178   0.969 -10.568
  376   2HB   SER  50          1HB       SER  50  71.287  -0.389 -11.244
  377    HG   SER  50           HG       SER  50  69.562   0.231  -9.746
   
  No H/Q in entry =         377
  Start of MODEL   13
    1   1H    ALA   1          2H        ALA   1  19.911  28.033 -22.083
    2   2H    ALA   1          1H        ALA   1  21.601  28.027 -21.912
    3   3H    ALA   1          3H        ALA   1  20.870  27.090 -23.121
    4    HA   ALA   1           HA       ALA   1  21.128  25.435 -21.661
    5   1HB   ALA   1          2HB       ALA   1  22.429  26.862 -20.094
    6   2HB   ALA   1          1HB       ALA   1  20.914  27.466 -19.416
    7   3HB   ALA   1          3HB       ALA   1  21.345  25.764 -19.233
    8    H    GLU   2           H        GLU   2  19.617  24.038 -20.833
    9    HA   GLU   2           HA       GLU   2  16.949  24.412 -21.360
   10   1HB   GLU   2          2HB       GLU   2  18.453  22.544 -19.589
   11   2HB   GLU   2          1HB       GLU   2  16.693  22.566 -19.500
   12   1HG   GLU   2          2HG       GLU   2  17.163  22.524 -22.217
   13   2HG   GLU   2          1HG       GLU   2  18.446  21.493 -21.581
   14    H    GLY   3           H        GLY   3  15.310  25.446 -20.402
   15   1HA   GLY   3          2HA       GLY   3  15.797  26.766 -17.844
   16   2HA   GLY   3          1HA       GLY   3  14.560  27.211 -19.010
   17    H    ASP   4           H        ASP   4  14.064  24.144 -19.172
   18    HA   ASP   4           HA       ASP   4  12.341  24.002 -16.776
   19   1HB   ASP   4          2HB       ASP   4  11.359  24.170 -19.209
   20   2HB   ASP   4          1HB       ASP   4  11.751  22.452 -19.262
   21    H    ASP   5           H        ASP   5  14.277  23.039 -15.754
   22    HA   ASP   5           HA       ASP   5  14.741  20.263 -16.542
   23   1HB   ASP   5          2HB       ASP   5  16.623  22.081 -16.189
   24   2HB   ASP   5          1HB       ASP   5  16.421  21.623 -14.497
   25    HA   PRO   6           HA       PRO   6  12.301  19.602 -12.776
   26   1HB   PRO   6          2HB       PRO   6  11.181  17.271 -13.564
   27   2HB   PRO   6          1HB       PRO   6  10.563  18.858 -14.041
   28   1HG   PRO   6          2HG       PRO   6  12.026  16.864 -15.632
   29   2HG   PRO   6          1HG       PRO   6  10.935  18.152 -16.161
   30   1HD   PRO   6          2HD       PRO   6  13.773  18.166 -16.232
   31   2HD   PRO   6          1HD       PRO   6  12.677  19.501 -16.627
   32    H    ALA   7           H        ALA   7  15.113  18.375 -13.763
   33    HA   ALA   7           HA       ALA   7  15.399  15.813 -12.741
   34   1HB   ALA   7          1HB       ALA   7  17.400  18.079 -12.702
   35   2HB   ALA   7          3HB       ALA   7  17.785  16.370 -12.482
   36   3HB   ALA   7          2HB       ALA   7  17.144  16.940 -14.025
   37    H    LYS   8           H        LYS   8  14.978  18.816 -11.068
   38    HA   LYS   8           HA       LYS   8  16.121  18.343  -8.598
   39   1HB   LYS   8          2HB       LYS   8  14.441  19.885  -7.725
   40   2HB   LYS   8          1HB       LYS   8  15.099  20.465  -9.246
   41   1HG   LYS   8          2HG       LYS   8  13.097  19.406 -10.391
   42   2HG   LYS   8          1HG       LYS   8  12.436  19.119  -8.783
   43   1HD   LYS   8          2HD       LYS   8  11.680  21.248 -10.038
   44   2HD   LYS   8          1HD       LYS   8  12.119  21.388  -8.343
   45   1HE   LYS   8          2HE       LYS   8  13.018  23.194  -9.904
   46   2HE   LYS   8          1HE       LYS   8  14.202  22.413  -8.859
   47   1HZ   LYS   8          1HZ       LYS   8  13.972  20.975 -11.275
   48   2HZ   LYS   8          3HZ       LYS   8  14.232  22.613 -11.629
   49   3HZ   LYS   8          2HZ       LYS   8  15.328  21.776 -10.638
   50    H    ALA   9           H        ALA   9  13.103  17.147  -9.945
   51    HA   ALA   9           HA       ALA   9  11.965  16.091  -7.598
   52   1HB   ALA   9          3HB       ALA   9  11.040  16.363 -10.059
   53   2HB   ALA   9          2HB       ALA   9  11.595  14.694 -10.209
   54   3HB   ALA   9          1HB       ALA   9  10.401  15.121  -8.980
   55    H    ALA  10           H        ALA  10  13.473  14.192 -10.208
   56    HA   ALA  10           HA       ALA  10  13.776  11.819  -8.803
   57   1HB   ALA  10          3HB       ALA  10  14.856  12.987 -11.253
   58   2HB   ALA  10          2HB       ALA  10  15.972  11.861 -10.477
   59   3HB   ALA  10          1HB       ALA  10  14.349  11.330 -10.922
   60    H    PHE  11           H        PHE  11  15.935  14.611  -8.976
   61    HA   PHE  11           HA       PHE  11  18.133  13.506  -7.609
   62   1HB   PHE  11          2HB       PHE  11  17.661  15.869  -8.823
   63   2HB   PHE  11          1HB       PHE  11  17.530  16.362  -7.145
   64    HD1  PHE  11           HD1      PHE  11  19.454  15.713  -5.557
   65    HD2  PHE  11           HD2      PHE  11  19.802  15.621  -9.827
   66    HE1  PHE  11           HE1      PHE  11  21.906  15.775  -5.369
   67    HE2  PHE  11           HE2      PHE  11  22.248  15.685  -9.620
   68    HZ   PHE  11           HZ       PHE  11  23.303  15.760  -7.396
   69    H    ASN  12           H        ASN  12  15.188  15.062  -6.458
   70    HA   ASN  12           HA       ASN  12  15.947  15.206  -3.716
   71   1HB   ASN  12          2HB       ASN  12  14.076  16.488  -4.881
   72   2HB   ASN  12          1HB       ASN  12  13.125  15.009  -4.751
   73   1HD2  ASN  12          2HD2      ASN  12  12.178  15.682  -1.496
   74   2HD2  ASN  12          1HD2      ASN  12  11.868  14.941  -3.026
   75    H    SER  13           H        SER  13  14.316  12.802  -5.701
   76    HA   SER  13           HA       SER  13  13.439  11.077  -3.650
   77   1HB   SER  13          2HB       SER  13  13.064  11.073  -6.287
   78   2HB   SER  13          1HB       SER  13  14.400   9.922  -6.220
   79    HG   SER  13           HG       SER  13  13.160   8.703  -4.718
   80    H    LEU  14           H        LEU  14  16.547  11.627  -5.095
   81    HA   LEU  14           HA       LEU  14  17.845   9.235  -4.362
   82   1HB   LEU  14          2HB       LEU  14  18.764  10.834  -5.980
   83   2HB   LEU  14          1HB       LEU  14  18.964  12.015  -4.691
   84    HG   LEU  14           HG       LEU  14  20.263   9.850  -3.632
   85   1HD1  LEU  14          1HD1      LEU  14  19.908   8.600  -5.788
   86   2HD1  LEU  14          3HD1      LEU  14  20.990   9.761  -6.565
   87   3HD1  LEU  14          2HD1      LEU  14  21.592   8.723  -5.272
   88   1HD2  LEU  14          2HD2      LEU  14  21.471  12.011  -5.382
   89   2HD2  LEU  14          1HD2      LEU  14  21.301  12.019  -3.618
   90   3HD2  LEU  14          3HD2      LEU  14  22.415  10.895  -4.397
   91    H    GLN  15           H        GLN  15  17.054  12.144  -2.621
   92    HA   GLN  15           HA       GLN  15  18.782  12.137  -0.482
   93   1HB   GLN  15          2HB       GLN  15  16.901  13.757  -0.994
   94   2HB   GLN  15          1HB       GLN  15  15.821  12.610  -0.214
   95   1HG   GLN  15          2HG       GLN  15  16.385  14.154   1.480
   96   2HG   GLN  15          1HG       GLN  15  17.402  12.750   1.802
   97   1HE2  GLN  15          2HD2      GLN  15  19.999  15.113   2.026
   98   2HE2  GLN  15          1HD2      GLN  15  18.911  14.086   2.891
   99    H    ALA  16           H        ALA  16  16.255   9.871  -1.214
  100    HA   ALA  16           HA       ALA  16  16.273   8.691   1.451
  101   1HB   ALA  16          1HB       ALA  16  14.180   8.880   0.108
  102   2HB   ALA  16          3HB       ALA  16  14.866   7.733  -1.043
  103   3HB   ALA  16          2HB       ALA  16  14.546   7.230   0.618
  104    H    SER  17           H        SER  17  18.599   8.657  -0.613
  105    HA   SER  17           HA       SER  17  19.559   6.053   0.083
  106   1HB   SER  17          2HB       SER  17  19.214   6.539  -2.864
  107   2HB   SER  17          1HB       SER  17  19.671   5.048  -2.050
  108    HG   SER  17           HG       SER  17  17.585   4.791  -1.370
  109    H    ALA  18           H        ALA  18  20.897   7.967   0.939
  110    HA   ALA  18           HA       ALA  18  22.696   9.164  -1.018
  111   1HB   ALA  18          1HB       ALA  18  22.087   9.574   1.866
  112   2HB   ALA  18          3HB       ALA  18  23.669  10.073   1.266
  113   3HB   ALA  18          2HB       ALA  18  22.203  10.753   0.557
  114    H    THR  19           H        THR  19  22.945   6.392  -0.902
  115    HA   THR  19           HA       THR  19  25.363   5.865   0.667
  116    HB   THR  19           HB       THR  19  23.383   4.268   0.585
  117    HG1  THR  19           HG1      THR  19  25.255   3.498   1.409
  118   1HG2  THR  19          3HG2      THR  19  23.897   4.396  -2.215
  119   2HG2  THR  19          2HG2      THR  19  24.298   2.768  -1.674
  120   3HG2  THR  19          1HG2      THR  19  22.688   3.423  -1.375
  121    H    GLU  20           H        GLU  20  25.206   7.599  -1.785
  122    HA   GLU  20           HA       GLU  20  26.783   6.131  -3.740
  123   1HB   GLU  20          2HB       GLU  20  25.040   8.380  -3.746
  124   2HB   GLU  20          1HB       GLU  20  26.611   8.905  -4.332
  125   1HG   GLU  20          2HG       GLU  20  25.080   8.103  -6.139
  126   2HG   GLU  20          1HG       GLU  20  26.602   7.216  -6.062
  127    H    TYR  21           H        TYR  21  27.495   7.551  -0.897
  128    HA   TYR  21           HA       TYR  21  30.139   8.471  -1.837
  129   1HB   TYR  21          2HB       TYR  21  28.256   9.627   0.166
  130   2HB   TYR  21          1HB       TYR  21  29.984   9.861   0.379
  131    HD1  TYR  21           HD1      TYR  21  31.274  11.178  -1.260
  132    HD2  TYR  21           HD2      TYR  21  27.043  10.689  -1.626
  133    HE1  TYR  21           HE1      TYR  21  31.193  13.037  -2.870
  134    HE2  TYR  21           HE2      TYR  21  26.974  12.551  -3.238
  135    HH   TYR  21           HH       TYR  21  29.820  14.489  -3.949
  136    H    ILE  22           H        ILE  22  28.472   6.303   0.260
  137    HA   ILE  22           HA       ILE  22  30.764   5.989   2.024
  138    HB   ILE  22           HB       ILE  22  28.095   4.566   2.000
  139   1HG1  ILE  22          2HG1      ILE  22  29.046   7.002   3.580
  140   2HG1  ILE  22          1HG1      ILE  22  27.636   6.866   2.524
  141   1HG2  ILE  22          3HG2      ILE  22  30.358   4.495   4.019
  142   2HG2  ILE  22          2HG2      ILE  22  28.724   3.928   4.365
  143   3HG2  ILE  22          1HG2      ILE  22  29.675   3.154   3.100
  144   1HD1  ILE  22          1HD1      ILE  22  27.394   4.884   4.568
  145   2HD1  ILE  22          3HD1      ILE  22  27.797   6.423   5.330
  146   3HD1  ILE  22          2HD1      ILE  22  26.386   6.302   4.278
  147    H    GLY  23           H        GLY  23  29.048   4.054  -0.415
  148   1HA   GLY  23          2HA       GLY  23  30.471   1.659  -0.064
  149   2HA   GLY  23          1HA       GLY  23  29.699   2.171  -1.565
  150    H    TYR  24           H        TYR  24  30.997   4.141  -2.552
  151    HA   TYR  24           HA       TYR  24  33.344   3.186  -3.645
  152   1HB   TYR  24          2HB       TYR  24  32.753   6.107  -3.231
  153   2HB   TYR  24          1HB       TYR  24  33.690   5.373  -4.522
  154    HD1  TYR  24           HD1      TYR  24  32.489   3.813  -6.149
  155    HD2  TYR  24           HD2      TYR  24  30.399   6.422  -3.471
  156    HE1  TYR  24           HE1      TYR  24  30.455   3.606  -7.516
  157    HE2  TYR  24           HE2      TYR  24  28.377   6.194  -4.845
  158    HH   TYR  24           HH       TYR  24  28.175   3.926  -7.490
  159    H    ALA  25           H        ALA  25  32.869   4.896  -0.632
  160    HA   ALA  25           HA       ALA  25  35.505   5.742  -0.152
  161   1HB   ALA  25          2HB       ALA  25  33.070   5.370   1.418
  162   2HB   ALA  25          1HB       ALA  25  34.543   5.084   2.345
  163   3HB   ALA  25          3HB       ALA  25  34.300   6.628   1.526
  164    H    TRP  26           H        TRP  26  34.082   2.597  -0.127
  165    HA   TRP  26           HA       TRP  26  36.134   1.370   1.495
  166   1HB   TRP  26          2HB       TRP  26  33.611   0.578   0.263
  167   2HB   TRP  26          1HB       TRP  26  34.853  -0.648   0.125
  168    HD1  TRP  26          1HD       TRP  26  32.414   0.816   2.547
  169    HE1  TRP  26          1HE       TRP  26  32.710  -0.259   4.836
  170    HE3  TRP  26          3HE       TRP  26  36.820  -1.657   1.777
  171    HZ2  TRP  26          2HZ       TRP  26  34.534  -1.929   6.173
  172    HZ3  TRP  26          3HZ       TRP  26  37.790  -2.981   3.611
  173    HH2  TRP  26           HH2      TRP  26  36.660  -3.119   5.791
  174    H    ALA  27           H        ALA  27  35.175   1.251  -1.931
  175    HA   ALA  27           HA       ALA  27  37.211  -0.357  -2.906
  176   1HB   ALA  27          2HB       ALA  27  35.525   1.809  -4.077
  177   2HB   ALA  27          1HB       ALA  27  36.902   1.221  -5.011
  178   3HB   ALA  27          3HB       ALA  27  35.630   0.103  -4.516
  179    H    MET  28           H        MET  28  37.318   2.920  -1.796
  180    HA   MET  28           HA       MET  28  39.869   3.530  -3.014
  181   1HB   MET  28          2HB       MET  28  37.852   4.949  -1.412
  182   2HB   MET  28          1HB       MET  28  39.504   5.389  -1.028
  183   1HG   MET  28          2HG       MET  28  38.149   5.559  -3.727
  184   2HG   MET  28          1HG       MET  28  38.673   6.894  -2.713
  185   1HE   MET  28          3HE       MET  28  40.496   8.020  -2.761
  186   2HE   MET  28          2HE       MET  28  42.055   7.677  -3.510
  187   3HE   MET  28          1HE       MET  28  40.692   8.171  -4.514
  188    H    VAL  29           H        VAL  29  38.634   2.529   0.118
  189    HA   VAL  29           HA       VAL  29  40.985   2.809   1.630
  190    HB   VAL  29           HB       VAL  29  38.609   0.969   1.868
  191   1HG1  VAL  29          3HG1      VAL  29  41.041   1.198   3.575
  192   2HG1  VAL  29          2HG1      VAL  29  39.477   0.906   4.340
  193   3HG1  VAL  29          1HG1      VAL  29  40.098  -0.228   3.138
  194   1HG2  VAL  29          1HG2      VAL  29  38.566   3.584   2.147
  195   2HG2  VAL  29          3HG2      VAL  29  37.678   2.543   3.262
  196   3HG2  VAL  29          2HG2      VAL  29  39.243   3.209   3.732
  197    H    VAL  30           H        VAL  30  39.909   0.359  -0.620
  198    HA   VAL  30           HA       VAL  30  41.865  -1.596   0.120
  199    HB   VAL  30           HB       VAL  30  39.524  -1.694  -1.207
  200   1HG1  VAL  30          2HG1      VAL  30  40.519  -0.645  -3.229
  201   2HG1  VAL  30          1HG1      VAL  30  41.588  -2.040  -3.374
  202   3HG1  VAL  30          3HG1      VAL  30  39.841  -2.248  -3.522
  203   1HG2  VAL  30          2HG2      VAL  30  40.706  -3.538  -0.121
  204   2HG2  VAL  30          1HG2      VAL  30  40.063  -4.008  -1.696
  205   3HG2  VAL  30          3HG2      VAL  30  41.784  -3.663  -1.513
  206    H    VAL  31           H        VAL  31  41.736   1.089  -2.097
  207    HA   VAL  31           HA       VAL  31  44.102   0.315  -3.544
  208    HB   VAL  31           HB       VAL  31  42.474   2.845  -3.514
  209   1HG1  VAL  31          2HG1      VAL  31  44.813   3.204  -4.223
  210   2HG1  VAL  31          1HG1      VAL  31  44.587   1.994  -5.486
  211   3HG1  VAL  31          3HG1      VAL  31  43.647   3.487  -5.516
  212   1HG2  VAL  31          1HG2      VAL  31  41.349   0.758  -4.339
  213   2HG2  VAL  31          3HG2      VAL  31  41.481   2.041  -5.543
  214   3HG2  VAL  31          2HG2      VAL  31  42.582   0.661  -5.599
  215    H    ILE  32           H        ILE  32  43.341   2.135  -0.729
  216    HA   ILE  32           HA       ILE  32  45.901   3.531  -0.690
  217    HB   ILE  32           HB       ILE  32  43.603   3.476   1.265
  218   1HG1  ILE  32          2HG1      ILE  32  44.525   5.508  -0.771
  219   2HG1  ILE  32          1HG1      ILE  32  43.021   4.593  -0.790
  220   1HG2  ILE  32          1HG2      ILE  32  45.782   3.895   2.373
  221   2HG2  ILE  32          3HG2      ILE  32  46.043   5.260   1.286
  222   3HG2  ILE  32          2HG2      ILE  32  44.702   5.289   2.433
  223   1HD1  ILE  32          3HD1      ILE  32  42.361   5.716   1.334
  224   2HD1  ILE  32          2HD1      ILE  32  43.823   6.698   1.230
  225   3HD1  ILE  32          1HD1      ILE  32  42.572   6.844  -0.007
  226    H    VAL  33           H        VAL  33  44.413   0.685   0.635
  227    HA   VAL  33           HA       VAL  33  46.332   0.291   2.730
  228    HB   VAL  33           HB       VAL  33  44.129  -1.341   1.496
  229   1HG1  VAL  33          2HG1      VAL  33  45.970  -2.186   3.725
  230   2HG1  VAL  33          1HG1      VAL  33  44.502  -3.031   3.228
  231   3HG1  VAL  33          3HG1      VAL  33  45.866  -2.907   2.117
  232   1HG2  VAL  33          1HG2      VAL  33  43.727   0.615   3.095
  233   2HG2  VAL  33          3HG2      VAL  33  42.948  -0.922   3.478
  234   3HG2  VAL  33          2HG2      VAL  33  44.405  -0.431   4.346
  235    H    GLY  34           H        GLY  34  45.925  -0.632  -0.619
  236   1HA   GLY  34          2HA       GLY  34  48.099  -2.562  -0.563
  237   2HA   GLY  34          1HA       GLY  34  47.153  -2.084  -1.975
  238    H    ALA  35           H        ALA  35  47.462   0.571  -2.161
  239    HA   ALA  35           HA       ALA  35  49.914   0.981  -3.379
  240   1HB   ALA  35          1HB       ALA  35  47.975   2.481  -3.651
  241   2HB   ALA  35          3HB       ALA  35  48.205   3.064  -2.002
  242   3HB   ALA  35          2HB       ALA  35  49.435   3.378  -3.228
  243    H    THR  36           H        THR  36  48.992   1.267  -0.036
  244    HA   THR  36           HA       THR  36  51.269   2.636   0.949
  245    HB   THR  36           HB       THR  36  49.275   0.752   2.201
  246    HG1  THR  36           HG1      THR  36  48.712   2.954   1.508
  247   1HG2  THR  36          3HG2      THR  36  51.383   0.584   3.452
  248   2HG2  THR  36          2HG2      THR  36  51.414   2.342   3.627
  249   3HG2  THR  36          1HG2      THR  36  50.131   1.400   4.392
  250    H    ILE  37           H        ILE  37  50.488  -0.764   0.452
  251    HA   ILE  37           HA       ILE  37  52.973  -1.754   1.511
  252    HB   ILE  37           HB       ILE  37  50.881  -3.064  -0.216
  253   1HG1  ILE  37          2HG1      ILE  37  51.308  -3.107   2.758
  254   2HG1  ILE  37          1HG1      ILE  37  49.987  -2.313   1.912
  255   1HG2  ILE  37          2HG2      ILE  37  53.209  -4.096  -0.199
  256   2HG2  ILE  37          1HG2      ILE  37  52.911  -4.459   1.503
  257   3HG2  ILE  37          3HG2      ILE  37  51.866  -5.145   0.259
  258   1HD1  ILE  37          2HD1      ILE  37  50.528  -5.283   1.742
  259   2HD1  ILE  37          1HD1      ILE  37  49.411  -4.561   2.903
  260   3HD1  ILE  37          3HD1      ILE  37  49.099  -4.417   1.172
  261    H    GLY  38           H        GLY  38  51.796  -0.632  -1.551
  262   1HA   GLY  38          2HA       GLY  38  53.711  -1.852  -3.259
  263   2HA   GLY  38          1HA       GLY  38  52.747  -0.420  -3.625
  264    H    ILE  39           H        ILE  39  53.499   1.370  -1.816
  265    HA   ILE  39           HA       ILE  39  56.002   2.268  -2.809
  266    HB   ILE  39           HB       ILE  39  54.334   3.255  -0.498
  267   1HG1  ILE  39          2HG1      ILE  39  54.383   4.814  -2.969
  268   2HG1  ILE  39          1HG1      ILE  39  53.696   3.210  -3.187
  269   1HG2  ILE  39          1HG2      ILE  39  56.601   4.511  -2.026
  270   2HG2  ILE  39          3HG2      ILE  39  55.546   5.382  -0.911
  271   3HG2  ILE  39          2HG2      ILE  39  56.576   4.079  -0.314
  272   1HD1  ILE  39          2HD1      ILE  39  52.636   4.247  -0.772
  273   2HD1  ILE  39          1HD1      ILE  39  52.500   5.514  -1.993
  274   3HD1  ILE  39          3HD1      ILE  39  51.785   3.928  -2.285
  275    H    LYS  40           H        LYS  40  54.978   0.802   0.253
  276    HA   LYS  40           HA       LYS  40  57.397   1.141   1.655
  277   1HB   LYS  40          2HB       LYS  40  54.909  -0.143   2.099
  278   2HB   LYS  40          1HB       LYS  40  56.171  -1.332   2.348
  279   1HG   LYS  40          2HG       LYS  40  56.116  -0.479   4.444
  280   2HG   LYS  40          1HG       LYS  40  57.306   0.609   3.742
  281   1HD   LYS  40          2HD       LYS  40  54.343   1.141   4.099
  282   2HD   LYS  40          1HD       LYS  40  55.640   1.851   5.042
  283   1HE   LYS  40          2HE       LYS  40  56.325   3.245   3.290
  284   2HE   LYS  40          1HE       LYS  40  55.539   2.251   2.054
  285   1HZ   LYS  40          2HZ       LYS  40  53.678   3.245   3.962
  286   2HZ   LYS  40          1HZ       LYS  40  54.534   4.505   3.209
  287   3HZ   LYS  40          3HZ       LYS  40  53.676   3.385   2.269
  288    H    LEU  41           H        LEU  41  56.299  -1.318  -0.602
  289    HA   LEU  41           HA       LEU  41  58.391  -3.167  -0.267
  290   1HB   LEU  41          2HB       LEU  41  56.443  -2.526  -2.430
  291   2HB   LEU  41          1HB       LEU  41  57.805  -3.564  -2.831
  292    HG   LEU  41           HG       LEU  41  55.791  -4.019  -0.623
  293   1HD1  LEU  41          3HD1      LEU  41  56.026  -4.964  -3.411
  294   2HD1  LEU  41          2HD1      LEU  41  55.579  -6.175  -2.209
  295   3HD1  LEU  41          1HD1      LEU  41  54.594  -4.725  -2.409
  296   1HD2  LEU  41          3HD2      LEU  41  58.433  -5.184  -1.105
  297   2HD2  LEU  41          2HD2      LEU  41  57.411  -5.246   0.332
  298   3HD2  LEU  41          1HD2      LEU  41  57.148  -6.386  -0.988
  299    H    PHE  42           H        PHE  42  58.175  -0.173  -2.078
  300    HA   PHE  42           HA       PHE  42  60.534  -0.512  -3.629
  301   1HB   PHE  42          2HB       PHE  42  59.021   1.069  -4.446
  302   2HB   PHE  42          1HB       PHE  42  58.789   1.805  -2.875
  303    HD1  PHE  42           HD2      PHE  42  62.205   1.121  -4.057
  304    HD2  PHE  42           HD1      PHE  42  59.069   4.017  -3.840
  305    HE1  PHE  42           HE2      PHE  42  63.799   2.900  -4.663
  306    HE2  PHE  42           HE1      PHE  42  60.668   5.788  -4.443
  307    HZ   PHE  42           HZ       PHE  42  63.030   5.231  -4.856
  308    H    LYS  43           H        LYS  43  59.855   1.461  -0.753
  309    HA   LYS  43           HA       LYS  43  62.269   2.535  -0.165
  310   1HB   LYS  43          2HB       LYS  43  60.186   1.351   1.635
  311   2HB   LYS  43          1HB       LYS  43  61.592   2.214   2.264
  312   1HG   LYS  43          2HG       LYS  43  60.347   3.657   0.074
  313   2HG   LYS  43          1HG       LYS  43  59.190   3.324   1.349
  314   1HD   LYS  43          2HD       LYS  43  60.576   4.416   3.007
  315   2HD   LYS  43          1HD       LYS  43  61.892   4.594   1.852
  316   1HE   LYS  43          2HE       LYS  43  59.500   6.254   2.263
  317   2HE   LYS  43          1HE       LYS  43  61.074   6.678   1.594
  318   1HZ   LYS  43          1HZ       LYS  43  60.412   5.641  -0.496
  319   2HZ   LYS  43          3HZ       LYS  43  58.889   5.271   0.152
  320   3HZ   LYS  43          2HZ       LYS  43  59.349   6.893  -0.062
  321    H    LYS  44           H        LYS  44  61.453  -0.863   0.062
  322    HA   LYS  44           HA       LYS  44  63.948  -1.443   1.476
  323   1HB   LYS  44          2HB       LYS  44  61.745  -2.491   2.135
  324   2HB   LYS  44          1HB       LYS  44  61.797  -3.383   0.625
  325   1HG   LYS  44          2HG       LYS  44  64.224  -3.578   2.324
  326   2HG   LYS  44          1HG       LYS  44  62.769  -4.343   2.949
  327   1HD   LYS  44          2HD       LYS  44  62.556  -5.434   0.627
  328   2HD   LYS  44          1HD       LYS  44  64.205  -4.880   0.348
  329   1HE   LYS  44          2HE       LYS  44  63.284  -7.161   1.964
  330   2HE   LYS  44          1HE       LYS  44  64.861  -6.841   1.245
  331   1HZ   LYS  44          1HZ       LYS  44  65.288  -5.291   3.099
  332   2HZ   LYS  44          3HZ       LYS  44  63.824  -5.766   3.809
  333   3HZ   LYS  44          2HZ       LYS  44  65.072  -6.899   3.602
  334    H    PHE  45           H        PHE  45  62.248  -2.458  -1.501
  335    HA   PHE  45           HA       PHE  45  64.481  -3.921  -2.524
  336   1HB   PHE  45          2HB       PHE  45  61.807  -3.110  -3.523
  337   2HB   PHE  45          1HB       PHE  45  63.037  -3.481  -4.711
  338    HD1  PHE  45           HD1      PHE  45  64.287  -5.709  -4.540
  339    HD2  PHE  45           HD2      PHE  45  60.629  -4.903  -2.440
  340    HE1  PHE  45           HE1      PHE  45  63.902  -8.121  -4.250
  341    HE2  PHE  45           HE2      PHE  45  60.268  -7.317  -2.166
  342    HZ   PHE  45           HZ       PHE  45  61.899  -8.925  -3.067
  343    H    THR  46           H        THR  46  63.176  -0.690  -3.230
  344    HA   THR  46           HA       THR  46  64.015   0.986  -4.593
  345    HB   THR  46           HB       THR  46  65.155   1.536  -2.632
  346    HG1  THR  46           HG1      THR  46  66.770   2.575  -3.522
  347   1HG2  THR  46          3HG2      THR  46  67.009  -0.779  -3.194
  348   2HG2  THR  46          2HG2      THR  46  67.208   0.378  -1.876
  349   3HG2  THR  46          1HG2      THR  46  65.797  -0.684  -1.916
  350    H    SER  47           H        SER  47  64.048  -1.571  -5.887
  351    HA   SER  47           HA       SER  47  64.950  -2.679  -7.684
  352   1HB   SER  47          2HB       SER  47  66.197  -0.884  -9.237
  353   2HB   SER  47          1HB       SER  47  64.445  -1.012  -9.136
  354    HG   SER  47           HG       SER  47  66.188   0.881  -7.974
  355    H    LYS  48           H        LYS  48  66.506  -3.222  -5.612
  356    HA   LYS  48           HA       LYS  48  69.148  -2.445  -5.542
  357   1HB   LYS  48          2HB       LYS  48  68.060  -5.227  -5.098
  358   2HB   LYS  48          1HB       LYS  48  69.601  -4.616  -4.505
  359   1HG   LYS  48          2HG       LYS  48  67.818  -2.760  -3.522
  360   2HG   LYS  48          1HG       LYS  48  66.891  -4.254  -3.439
  361   1HD   LYS  48          2HD       LYS  48  67.961  -4.353  -1.413
  362   2HD   LYS  48          1HD       LYS  48  69.146  -5.187  -2.414
  363   1HE   LYS  48          2HE       LYS  48  69.209  -2.268  -1.623
  364   2HE   LYS  48          1HE       LYS  48  70.248  -3.541  -0.991
  365   1HZ   LYS  48          1HZ       LYS  48  71.146  -3.859  -3.209
  366   2HZ   LYS  48          3HZ       LYS  48  70.142  -2.634  -3.815
  367   3HZ   LYS  48          2HZ       LYS  48  71.361  -2.254  -2.695
  368    H    ALA  49           H        ALA  49  67.675  -5.026  -7.482
  369    HA   ALA  49           HA       ALA  49  69.806  -6.161  -8.703
  370   1HB   ALA  49          1HB       ALA  49  67.311  -6.613  -9.049
  371   2HB   ALA  49          3HB       ALA  49  67.385  -5.368 -10.297
  372   3HB   ALA  49          2HB       ALA  49  68.370  -6.826 -10.444
  373    H    SER  50           H        SER  50  70.760  -5.852 -10.848
  374    HA   SER  50           HA       SER  50  72.066  -4.602 -12.264
  375   1HB   SER  50          2HB       SER  50  69.391  -3.901 -12.640
  376   2HB   SER  50          1HB       SER  50  70.251  -2.367 -12.575
  377    HG   SER  50           HG       SER  50  71.241  -4.517 -14.127
   
  No H/Q in entry =         377
  Start of MODEL   14
    1   1H    ALA   1          1H        ALA   1  16.258   6.841  -9.063
    2   2H    ALA   1          3H        ALA   1  17.477   6.925 -10.241
    3   3H    ALA   1          2H        ALA   1  16.379   8.209 -10.065
    4    HA   ALA   1           HA       ALA   1  15.293   7.274 -11.746
    5   1HB   ALA   1          2HB       ALA   1  16.615   4.652 -10.971
    6   2HB   ALA   1          1HB       ALA   1  15.585   4.880 -12.387
    7   3HB   ALA   1          3HB       ALA   1  17.130   5.730 -12.270
    8    H    GLU   2           H        GLU   2  13.615   7.893 -10.190
    9    HA   GLU   2           HA       GLU   2  11.598   6.001  -9.958
   10   1HB   GLU   2          2HB       GLU   2  12.961   4.911  -8.270
   11   2HB   GLU   2          1HB       GLU   2  13.133   6.429  -7.392
   12   1HG   GLU   2          2HG       GLU   2  10.690   6.468  -7.018
   13   2HG   GLU   2          1HG       GLU   2  10.549   4.924  -7.857
   14    H    GLY   3           H        GLY   3  10.024   7.415 -10.345
   15   1HA   GLY   3          2HA       GLY   3   8.407   8.926  -9.425
   16   2HA   GLY   3          1HA       GLY   3   9.713   9.704  -8.539
   17    H    ASP   4           H        ASP   4   9.659  11.761  -9.312
   18    HA   ASP   4           HA       ASP   4   9.944  12.124 -12.230
   19   1HB   ASP   4          2HB       ASP   4   7.828  12.994 -10.764
   20   2HB   ASP   4          1HB       ASP   4   8.901  14.390 -10.661
   21    H    ASP   5           H        ASP   5  12.219  12.027 -11.981
   22    HA   ASP   5           HA       ASP   5  14.275  13.041 -11.928
   23   1HB   ASP   5          2HB       ASP   5  12.908  15.095 -12.558
   24   2HB   ASP   5          1HB       ASP   5  12.932  15.508 -10.844
   25    HA   PRO   6           HA       PRO   6  14.971  12.222  -7.576
   26   1HB   PRO   6          2HB       PRO   6  17.599  11.619  -7.769
   27   2HB   PRO   6          1HB       PRO   6  16.307  10.496  -8.218
   28   1HG   PRO   6          2HG       PRO   6  18.132  12.048  -9.936
   29   2HG   PRO   6          1HG       PRO   6  17.296  10.521 -10.261
   30   1HD   PRO   6          2HD       PRO   6  16.557  13.081 -11.189
   31   2HD   PRO   6          1HD       PRO   6  15.605  11.590 -11.306
   32    H    ALA   7           H        ALA   7  15.724  14.929  -9.202
   33    HA   ALA   7           HA       ALA   7  17.908  16.103  -7.928
   34   1HB   ALA   7          1HB       ALA   7  16.487  16.965  -9.900
   35   2HB   ALA   7          3HB       ALA   7  15.436  17.653  -8.661
   36   3HB   ALA   7          2HB       ALA   7  17.127  18.154  -8.762
   37    H    LYS   8           H        LYS   8  14.456  16.509  -7.095
   38    HA   LYS   8           HA       LYS   8  15.244  17.381  -4.409
   39   1HB   LYS   8          2HB       LYS   8  12.533  17.529  -5.715
   40   2HB   LYS   8          1HB       LYS   8  13.082  18.368  -4.278
   41   1HG   LYS   8          2HG       LYS   8  14.391  18.769  -6.951
   42   2HG   LYS   8          1HG       LYS   8  12.984  19.709  -6.447
   43   1HD   LYS   8          2HD       LYS   8  14.140  20.877  -4.820
   44   2HD   LYS   8          1HD       LYS   8  15.236  19.549  -4.489
   45   1HE   LYS   8          2HE       LYS   8  15.734  21.910  -6.015
   46   2HE   LYS   8          1HE       LYS   8  16.839  20.572  -5.695
   47   1HZ   LYS   8          1HZ       LYS   8  14.836  20.557  -7.894
   48   2HZ   LYS   8          3HZ       LYS   8  16.439  21.075  -8.087
   49   3HZ   LYS   8          2HZ       LYS   8  16.115  19.465  -7.652
   50    H    ALA   9           H        ALA   9  13.192  15.062  -6.127
   51    HA   ALA   9           HA       ALA   9  11.891  13.920  -3.933
   52   1HB   ALA   9          2HB       ALA   9  12.365  13.225  -6.733
   53   2HB   ALA   9          1HB       ALA   9  12.189  11.820  -5.677
   54   3HB   ALA   9          3HB       ALA   9  10.912  13.037  -5.749
   55    H    ALA  10           H        ALA  10  14.206  11.937  -5.703
   56    HA   ALA  10           HA       ALA  10  14.869  10.205  -3.701
   57   1HB   ALA  10          2HB       ALA  10  16.695  11.246  -5.871
   58   2HB   ALA  10          1HB       ALA  10  16.969   9.781  -4.925
   59   3HB   ALA  10          3HB       ALA  10  15.577   9.886  -6.005
   60    H    PHE  11           H        PHE  11  16.050  13.461  -4.134
   61    HA   PHE  11           HA       PHE  11  18.287  13.298  -2.392
   62   1HB   PHE  11          2HB       PHE  11  17.417  15.142  -4.128
   63   2HB   PHE  11          1HB       PHE  11  16.822  15.858  -2.639
   64    HD1  PHE  11           HD1      PHE  11  18.606  15.771  -0.642
   65    HD2  PHE  11           HD2      PHE  11  19.573  15.821  -4.813
   66    HE1  PHE  11           HE1      PHE  11  20.839  16.664  -0.122
   67    HE2  PHE  11           HE2      PHE  11  21.800  16.712  -4.278
   68    HZ   PHE  11           HZ       PHE  11  22.436  17.135  -1.936
   69    H    ASN  12           H        ASN  12  14.878  14.039  -1.906
   70    HA   ASN  12           HA       ASN  12  15.214  14.782   0.864
   71   1HB   ASN  12          2HB       ASN  12  13.354  15.449  -0.900
   72   2HB   ASN  12          1HB       ASN  12  12.559  14.016  -0.247
   73   1HD2  ASN  12          2HD2      ASN  12  11.285  16.508   1.976
   74   2HD2  ASN  12          1HD2      ASN  12  11.014  15.764   0.440
   75    H    SER  13           H        SER  13  14.221  11.905  -0.915
   76    HA   SER  13           HA       SER  13  13.406  10.458   1.442
   77   1HB   SER  13          2HB       SER  13  12.943  10.132  -1.239
   78   2HB   SER  13          1HB       SER  13  14.135   8.873  -0.916
   79    HG   SER  13           HG       SER  13  11.930   9.214   0.809
   80    H    LEU  14           H        LEU  14  16.338  10.808  -0.431
   81    HA   LEU  14           HA       LEU  14  17.703   8.569   0.725
   82   1HB   LEU  14          2HB       LEU  14  18.344   9.440  -1.455
   83   2HB   LEU  14          1HB       LEU  14  18.736  10.998  -0.732
   84    HG   LEU  14           HG       LEU  14  20.120   8.991   0.753
   85   1HD1  LEU  14          2HD1      LEU  14  19.804   7.478  -1.177
   86   2HD1  LEU  14          1HD1      LEU  14  20.635   8.644  -2.214
   87   3HD1  LEU  14          3HD1      LEU  14  21.503   7.860  -0.894
   88   1HD2  LEU  14          1HD2      LEU  14  21.242  10.973  -1.254
   89   2HD2  LEU  14          3HD2      LEU  14  20.991  11.256   0.478
   90   3HD2  LEU  14          2HD2      LEU  14  22.179  10.072  -0.066
   91    H    GLN  15           H        GLN  15  17.327  11.946   1.505
   92    HA   GLN  15           HA       GLN  15  19.446  12.487   3.163
   93   1HB   GLN  15          2HB       GLN  15  17.726  14.111   2.574
   94   2HB   GLN  15          1HB       GLN  15  16.555  13.251   3.564
   95   1HG   GLN  15          2HG       GLN  15  18.275  13.631   5.486
   96   2HG   GLN  15          1HG       GLN  15  18.916  14.890   4.427
   97   1HE2  GLN  15          2HD2      GLN  15  16.168  16.155   6.713
   98   2HE2  GLN  15          1HD2      GLN  15  17.551  15.159   6.999
   99    H    ALA  16           H        ALA  16  16.668  10.473   3.796
  100    HA   ALA  16           HA       ALA  16  17.342  10.131   6.612
  101   1HB   ALA  16          2HB       ALA  16  15.082   9.372   4.841
  102   2HB   ALA  16          1HB       ALA  16  15.384   8.365   6.258
  103   3HB   ALA  16          3HB       ALA  16  15.063  10.089   6.453
  104    H    SER  17           H        SER  17  18.951   9.082   4.145
  105    HA   SER  17           HA       SER  17  19.745   6.606   5.408
  106   1HB   SER  17          2HB       SER  17  17.753   6.330   3.600
  107   2HB   SER  17          1HB       SER  17  19.151   6.234   2.537
  108    HG   SER  17           HG       SER  17  18.211   4.270   3.882
  109    H    ALA  18           H        ALA  18  21.513   8.351   5.498
  110    HA   ALA  18           HA       ALA  18  23.013   8.632   3.000
  111   1HB   ALA  18          2HB       ALA  18  22.564  10.494   4.776
  112   2HB   ALA  18          1HB       ALA  18  23.909   9.737   5.633
  113   3HB   ALA  18          3HB       ALA  18  24.150  10.383   4.008
  114    H    THR  19           H        THR  19  22.780   6.038   4.409
  115    HA   THR  19           HA       THR  19  25.507   5.584   5.387
  116    HB   THR  19           HB       THR  19  24.691   3.377   6.032
  117    HG1  THR  19           HG1      THR  19  22.111   4.119   5.174
  118   1HG2  THR  19          3HG2      THR  19  23.287   5.848   6.905
  119   2HG2  THR  19          2HG2      THR  19  22.585   4.311   7.413
  120   3HG2  THR  19          1HG2      THR  19  24.251   4.704   7.843
  121    H    GLU  20           H        GLU  20  24.080   5.687   2.425
  122    HA   GLU  20           HA       GLU  20  25.386   3.323   1.339
  123   1HB   GLU  20          2HB       GLU  20  23.036   4.682   0.740
  124   2HB   GLU  20          1HB       GLU  20  24.124   5.075  -0.588
  125   1HG   GLU  20          2HG       GLU  20  22.771   3.037  -1.011
  126   2HG   GLU  20          1HG       GLU  20  24.506   2.728  -1.031
  127    H    TYR  21           H        TYR  21  26.136   6.529   1.910
  128    HA   TYR  21           HA       TYR  21  27.970   6.717  -0.382
  129   1HB   TYR  21          2HB       TYR  21  26.672   8.683   1.430
  130   2HB   TYR  21          1HB       TYR  21  28.245   9.093   0.760
  131    HD1  TYR  21           HD2      TYR  21  28.532   9.331  -1.688
  132    HD2  TYR  21           HD1      TYR  21  24.702   8.583   0.058
  133    HE1  TYR  21           HE2      TYR  21  27.438  10.004  -3.788
  134    HE2  TYR  21           HE1      TYR  21  23.618   9.259  -2.048
  135    HH   TYR  21           HH       TYR  21  24.996  10.985  -4.364
  136    H    ILE  22           H        ILE  22  27.905   6.083   2.988
  137    HA   ILE  22           HA       ILE  22  30.595   6.951   3.527
  138    HB   ILE  22           HB       ILE  22  28.609   5.255   5.044
  139   1HG1  ILE  22          2HG1      ILE  22  28.318   7.822   4.778
  140   2HG1  ILE  22          1HG1      ILE  22  28.189   7.145   6.409
  141   1HG2  ILE  22          3HG2      ILE  22  31.489   5.606   5.537
  142   2HG2  ILE  22          2HG2      ILE  22  30.479   5.978   6.934
  143   3HG2  ILE  22          1HG2      ILE  22  30.376   4.390   6.170
  144   1HD1  ILE  22          2HD1      ILE  22  30.925   7.794   6.033
  145   2HD1  ILE  22          1HD1      ILE  22  29.988   9.161   5.429
  146   3HD1  ILE  22          3HD1      ILE  22  29.750   8.587   7.078
  147    H    GLY  23           H        GLY  23  29.024   3.926   2.645
  148   1HA   GLY  23          2HA       GLY  23  31.282   2.240   3.049
  149   2HA   GLY  23          1HA       GLY  23  29.874   1.866   2.059
  150    H    TYR  24           H        TYR  24  30.694   4.668   0.760
  151    HA   TYR  24           HA       TYR  24  31.949   3.545  -1.547
  152   1HB   TYR  24          2HB       TYR  24  31.383   6.354  -0.622
  153   2HB   TYR  24          1HB       TYR  24  32.303   6.037  -2.084
  154    HD1  TYR  24           HD2      TYR  24  29.654   3.653  -1.294
  155    HD2  TYR  24           HD1      TYR  24  30.526   7.349  -3.273
  156    HE1  TYR  24           HE2      TYR  24  27.561   3.482  -2.555
  157    HE2  TYR  24           HE1      TYR  24  28.423   7.157  -4.525
  158    HH   TYR  24           HH       TYR  24  26.077   4.655  -3.837
  159    H    ALA  25           H        ALA  25  33.071   5.306   1.274
  160    HA   ALA  25           HA       ALA  25  35.740   5.712   0.364
  161   1HB   ALA  25          3HB       ALA  25  34.278   5.954   2.946
  162   2HB   ALA  25          2HB       ALA  25  36.038   5.842   3.008
  163   3HB   ALA  25          1HB       ALA  25  35.267   7.140   2.094
  164    H    TRP  26           H        TRP  26  34.032   3.060   1.792
  165    HA   TRP  26           HA       TRP  26  36.239   1.621   2.843
  166   1HB   TRP  26          2HB       TRP  26  33.393   1.179   2.399
  167   2HB   TRP  26          1HB       TRP  26  34.350  -0.264   2.127
  168    HD1  TRP  26          1HD       TRP  26  33.248   2.127   4.887
  169    HE1  TRP  26          1HE       TRP  26  33.862   1.114   7.142
  170    HE3  TRP  26          3HE       TRP  26  36.068  -1.840   3.319
  171    HZ2  TRP  26          2HZ       TRP  26  35.334  -1.056   8.163
  172    HZ3  TRP  26          3HZ       TRP  26  37.056  -3.350   4.994
  173    HH2  TRP  26           HH2      TRP  26  36.693  -2.964   7.395
  174    H    ALA  27           H        ALA  27  34.524   1.490  -0.261
  175    HA   ALA  27           HA       ALA  27  36.018  -0.629  -1.385
  176   1HB   ALA  27          2HB       ALA  27  34.058   1.337  -2.282
  177   2HB   ALA  27          1HB       ALA  27  35.261   0.964  -3.519
  178   3HB   ALA  27          3HB       ALA  27  34.301  -0.332  -2.805
  179    H    MET  28           H        MET  28  36.334   2.897  -1.732
  180    HA   MET  28           HA       MET  28  38.571   2.940  -3.386
  181   1HB   MET  28          2HB       MET  28  37.129   4.833  -1.717
  182   2HB   MET  28          1HB       MET  28  38.856   5.133  -1.665
  183   1HG   MET  28          2HG       MET  28  37.504   6.353  -3.471
  184   2HG   MET  28          1HG       MET  28  38.977   5.550  -3.988
  185   1HE   MET  28          3HE       MET  28  36.231   6.634  -5.400
  186   2HE   MET  28          2HE       MET  28  35.292   5.370  -6.189
  187   3HE   MET  28          1HE       MET  28  35.030   5.716  -4.480
  188    H    VAL  29           H        VAL  29  38.340   2.668   0.124
  189    HA   VAL  29           HA       VAL  29  40.993   3.022   0.844
  190    HB   VAL  29           HB       VAL  29  38.784   1.313   1.954
  191   1HG1  VAL  29          3HG1      VAL  29  41.636   1.323   2.719
  192   2HG1  VAL  29          2HG1      VAL  29  40.472   1.448   4.041
  193   3HG1  VAL  29          1HG1      VAL  29  40.406   0.076   2.933
  194   1HG2  VAL  29          2HG2      VAL  29  39.125   3.980   2.036
  195   2HG2  VAL  29          1HG2      VAL  29  38.326   3.063   3.315
  196   3HG2  VAL  29          3HG2      VAL  29  40.023   3.515   3.483
  197    H    VAL  30           H        VAL  30  39.349   0.072  -0.263
  198    HA   VAL  30           HA       VAL  30  41.434  -1.726   0.010
  199    HB   VAL  30           HB       VAL  30  38.940  -2.004  -0.700
  200   1HG1  VAL  30          2HG1      VAL  30  39.789  -0.867  -3.008
  201   2HG1  VAL  30          1HG1      VAL  30  39.922  -2.581  -3.402
  202   3HG1  VAL  30          3HG1      VAL  30  38.376  -1.914  -2.872
  203   1HG2  VAL  30          3HG2      VAL  30  41.201  -3.758  -1.634
  204   2HG2  VAL  30          2HG2      VAL  30  40.322  -3.850  -0.105
  205   3HG2  VAL  30          1HG2      VAL  30  39.506  -4.251  -1.618
  206    H    VAL  31           H        VAL  31  41.019   0.821  -2.294
  207    HA   VAL  31           HA       VAL  31  43.061  -0.195  -4.085
  208    HB   VAL  31           HB       VAL  31  41.359   2.284  -4.064
  209   1HG1  VAL  31          1HG1      VAL  31  43.527   2.815  -5.054
  210   2HG1  VAL  31          3HG1      VAL  31  43.368   1.441  -6.149
  211   3HG1  VAL  31          2HG1      VAL  31  42.250   2.802  -6.273
  212   1HG2  VAL  31          2HG2      VAL  31  40.356   0.025  -4.634
  213   2HG2  VAL  31          1HG2      VAL  31  40.175   1.282  -5.861
  214   3HG2  VAL  31          3HG2      VAL  31  41.398   0.024  -6.059
  215    H    ILE  32           H        ILE  32  42.825   1.837  -1.342
  216    HA   ILE  32           HA       ILE  32  45.248   3.334  -1.897
  217    HB   ILE  32           HB       ILE  32  43.650   3.143   0.653
  218   1HG1  ILE  32          2HG1      ILE  32  43.467   5.080  -1.658
  219   2HG1  ILE  32          1HG1      ILE  32  42.222   3.959  -1.110
  220   1HG2  ILE  32          2HG2      ILE  32  46.135   4.064   0.483
  221   2HG2  ILE  32          1HG2      ILE  32  45.295   5.509  -0.080
  222   3HG2  ILE  32          3HG2      ILE  32  44.925   4.838   1.509
  223   1HD1  ILE  32          2HD1      ILE  32  43.021   5.567   1.113
  224   2HD1  ILE  32          1HD1      ILE  32  42.684   6.633  -0.253
  225   3HD1  ILE  32          3HD1      ILE  32  41.449   5.507   0.311
  226    H    VAL  33           H        VAL  33  44.253   0.544  -0.008
  227    HA   VAL  33           HA       VAL  33  46.462   0.216   1.635
  228    HB   VAL  33           HB       VAL  33  44.748  -1.877   0.307
  229   1HG1  VAL  33          2HG1      VAL  33  47.039  -2.217   1.778
  230   2HG1  VAL  33          1HG1      VAL  33  45.758  -2.406   2.974
  231   3HG1  VAL  33          3HG1      VAL  33  45.775  -3.422   1.533
  232   1HG2  VAL  33          1HG2      VAL  33  44.208   0.082   2.391
  233   2HG2  VAL  33          3HG2      VAL  33  43.092  -0.961   1.503
  234   3HG2  VAL  33          2HG2      VAL  33  43.927  -1.575   2.932
  235    H    GLY  34           H        GLY  34  46.013  -0.480  -1.765
  236   1HA   GLY  34          2HA       GLY  34  48.310  -2.152  -2.087
  237   2HA   GLY  34          1HA       GLY  34  47.412  -1.351  -3.380
  238    H    ALA  35           H        ALA  35  47.683   1.253  -2.977
  239    HA   ALA  35           HA       ALA  35  50.159   1.980  -3.934
  240   1HB   ALA  35          2HB       ALA  35  47.878   3.327  -3.388
  241   2HB   ALA  35          1HB       ALA  35  48.917   3.934  -2.096
  242   3HB   ALA  35          3HB       ALA  35  49.405   4.119  -3.782
  243    H    THR  36           H        THR  36  49.172   1.355  -0.668
  244    HA   THR  36           HA       THR  36  51.427   2.501   0.659
  245    HB   THR  36           HB       THR  36  49.328   0.484   1.441
  246    HG1  THR  36           HG1      THR  36  48.752   2.718   1.206
  247   1HG2  THR  36          2HG2      THR  36  51.578   1.591   3.118
  248   2HG2  THR  36          1HG2      THR  36  50.131   0.837   3.792
  249   3HG2  THR  36          3HG2      THR  36  51.223  -0.103   2.773
  250    H    ILE  37           H        ILE  37  50.618  -0.707  -0.579
  251    HA   ILE  37           HA       ILE  37  52.850  -2.085   0.478
  252    HB   ILE  37           HB       ILE  37  51.231  -2.642  -2.000
  253   1HG1  ILE  37          2HG1      ILE  37  50.945  -3.564   0.844
  254   2HG1  ILE  37          1HG1      ILE  37  49.823  -2.555  -0.055
  255   1HG2  ILE  37          1HG2      ILE  37  53.469  -3.787  -1.860
  256   2HG2  ILE  37          3HG2      ILE  37  52.883  -4.584  -0.398
  257   3HG2  ILE  37          2HG2      ILE  37  52.074  -4.867  -1.941
  258   1HD1  ILE  37          1HD1      ILE  37  49.927  -4.692  -1.699
  259   2HD1  ILE  37          3HD1      ILE  37  50.235  -5.488  -0.154
  260   3HD1  ILE  37          2HD1      ILE  37  48.761  -4.546  -0.382
  261    H    GLY  38           H        GLY  38  52.379  -0.128  -2.382
  262   1HA   GLY  38          2HA       GLY  38  54.661  -0.850  -3.857
  263   2HA   GLY  38          1HA       GLY  38  53.840   0.710  -3.940
  264    H    ILE  39           H        ILE  39  54.263   2.165  -2.060
  265    HA   ILE  39           HA       ILE  39  56.897   2.951  -1.950
  266    HB   ILE  39           HB       ILE  39  54.741   3.333   0.126
  267   1HG1  ILE  39          2HG1      ILE  39  55.377   5.570  -1.636
  268   2HG1  ILE  39          1HG1      ILE  39  54.784   4.169  -2.515
  269   1HG2  ILE  39          3HG2      ILE  39  57.499   4.261  -0.055
  270   2HG2  ILE  39          2HG2      ILE  39  56.328   5.563   0.158
  271   3HG2  ILE  39          1HG2      ILE  39  56.395   4.238   1.322
  272   1HD1  ILE  39          1HD1      ILE  39  53.118   4.378  -0.276
  273   2HD1  ILE  39          3HD1      ILE  39  53.326   6.030  -0.858
  274   3HD1  ILE  39          2HD1      ILE  39  52.711   4.782  -1.945
  275    H    LYS  40           H        LYS  40  55.167   0.826   0.316
  276    HA   LYS  40           HA       LYS  40  57.153   0.514   2.233
  277   1HB   LYS  40          2HB       LYS  40  54.656  -0.400   1.955
  278   2HB   LYS  40          1HB       LYS  40  55.533  -1.839   1.467
  279   1HG   LYS  40          2HG       LYS  40  55.550  -2.266   3.677
  280   2HG   LYS  40          1HG       LYS  40  56.909  -1.146   3.703
  281   1HD   LYS  40          2HD       LYS  40  54.010  -0.360   4.092
  282   2HD   LYS  40          1HD       LYS  40  55.121  -0.664   5.420
  283   1HE   LYS  40          2HE       LYS  40  56.376   1.293   4.950
  284   2HE   LYS  40          1HE       LYS  40  55.706   1.442   3.319
  285   1HZ   LYS  40          3HZ       LYS  40  53.532   1.527   4.952
  286   2HZ   LYS  40          2HZ       LYS  40  54.700   2.425   5.798
  287   3HZ   LYS  40          1HZ       LYS  40  54.282   2.853   4.207
  288    H    LEU  41           H        LEU  41  56.476  -1.494  -0.622
  289    HA   LEU  41           HA       LEU  41  58.609  -3.282  -0.348
  290   1HB   LEU  41          2HB       LEU  41  56.971  -2.329  -2.666
  291   2HB   LEU  41          1HB       LEU  41  58.331  -3.408  -2.939
  292    HG   LEU  41           HG       LEU  41  56.059  -3.961  -1.025
  293   1HD1  LEU  41          1HD1      LEU  41  56.495  -4.897  -3.858
  294   2HD1  LEU  41          3HD1      LEU  41  55.343  -5.635  -2.744
  295   3HD1  LEU  41          2HD1      LEU  41  55.143  -3.951  -3.232
  296   1HD2  LEU  41          1HD2      LEU  41  58.590  -5.148  -1.205
  297   2HD2  LEU  41          3HD2      LEU  41  57.181  -5.767  -0.342
  298   3HD2  LEU  41          2HD2      LEU  41  57.493  -6.273  -2.003
  299    H    PHE  42           H        PHE  42  58.499  -0.027  -1.569
  300    HA   PHE  42           HA       PHE  42  60.936  -0.040  -3.023
  301   1HB   PHE  42          2HB       PHE  42  58.985   1.680  -3.001
  302   2HB   PHE  42          1HB       PHE  42  59.858   2.396  -1.653
  303    HD1  PHE  42           HD1      PHE  42  62.512   2.609  -2.161
  304    HD2  PHE  42           HD2      PHE  42  59.390   2.563  -5.075
  305    HE1  PHE  42           HE1      PHE  42  63.980   3.785  -3.754
  306    HE2  PHE  42           HE2      PHE  42  60.860   3.738  -6.668
  307    HZ   PHE  42           HZ       PHE  42  63.155   4.348  -6.006
  308    H    LYS  43           H        LYS  43  60.129   0.848   0.314
  309    HA   LYS  43           HA       LYS  43  62.640   1.811   1.086
  310   1HB   LYS  43          2HB       LYS  43  60.422   0.515   2.646
  311   2HB   LYS  43          1HB       LYS  43  61.858   1.181   3.416
  312   1HG   LYS  43          2HG       LYS  43  60.388   2.908   1.468
  313   2HG   LYS  43          1HG       LYS  43  59.641   2.639   3.031
  314   1HD   LYS  43          2HD       LYS  43  61.103   3.966   4.119
  315   2HD   LYS  43          1HD       LYS  43  62.486   3.381   3.202
  316   1HE   LYS  43          2HE       LYS  43  61.566   5.876   2.971
  317   2HE   LYS  43          1HE       LYS  43  62.304   5.022   1.621
  318   1HZ   LYS  43          3HZ       LYS  43  59.415   4.752   2.049
  319   2HZ   LYS  43          2HZ       LYS  43  60.003   6.201   1.383
  320   3HZ   LYS  43          1HZ       LYS  43  60.299   4.722   0.603
  321    H    LYS  44           H        LYS  44  61.672  -1.396   0.371
  322    HA   LYS  44           HA       LYS  44  63.765  -2.588   2.007
  323   1HB   LYS  44          2HB       LYS  44  61.253  -3.432   0.932
  324   2HB   LYS  44          1HB       LYS  44  62.491  -4.452   0.238
  325   1HG   LYS  44          2HG       LYS  44  62.863  -5.571   2.178
  326   2HG   LYS  44          1HG       LYS  44  62.666  -4.124   3.176
  327   1HD   LYS  44          2HD       LYS  44  60.324  -4.277   3.164
  328   2HD   LYS  44          1HD       LYS  44  60.308  -5.385   1.796
  329   1HE   LYS  44          2HE       LYS  44  60.076  -6.094   4.470
  330   2HE   LYS  44          1HE       LYS  44  60.520  -7.209   3.180
  331   1HZ   LYS  44          2HZ       LYS  44  62.545  -5.589   4.607
  332   2HZ   LYS  44          1HZ       LYS  44  62.013  -7.086   5.210
  333   3HZ   LYS  44          3HZ       LYS  44  62.769  -7.004   3.695
  334    H    PHE  45           H        PHE  45  62.802  -2.847  -1.448
  335    HA   PHE  45           HA       PHE  45  65.495  -3.655  -2.154
  336   1HB   PHE  45          2HB       PHE  45  62.878  -3.467  -3.550
  337   2HB   PHE  45          1HB       PHE  45  64.324  -3.296  -4.519
  338    HD1  PHE  45           HD2      PHE  45  66.174  -5.098  -4.253
  339    HD2  PHE  45           HD1      PHE  45  62.090  -5.676  -3.051
  340    HE1  PHE  45           HE2      PHE  45  66.481  -7.536  -4.315
  341    HE2  PHE  45           HE1      PHE  45  62.425  -8.105  -3.123
  342    HZ   PHE  45           HZ       PHE  45  64.613  -9.038  -3.754
  343    H    THR  46           H        THR  46  63.401  -0.851  -2.666
  344    HA   THR  46           HA       THR  46  63.840   1.202  -3.632
  345    HB   THR  46           HB       THR  46  64.643   1.607  -1.436
  346    HG1  THR  46           HG1      THR  46  65.665   3.330  -2.066
  347   1HG2  THR  46          1HG2      THR  46  67.177   0.211  -2.304
  348   2HG2  THR  46          3HG2      THR  46  66.993   1.098  -0.789
  349   3HG2  THR  46          2HG2      THR  46  66.020  -0.344  -1.091
  350    H    SER  47           H        SER  47  64.803  -1.061  -5.201
  351    HA   SER  47           HA       SER  47  65.983  -1.415  -7.131
  352   1HB   SER  47          2HB       SER  47  65.243   0.909  -7.635
  353   2HB   SER  47          1HB       SER  47  66.729   1.503  -6.903
  354    HG   SER  47           HG       SER  47  66.331   0.557  -9.391
  355    H    LYS  48           H        LYS  48  67.219  -2.351  -4.988
  356    HA   LYS  48           HA       LYS  48  69.657  -1.464  -4.140
  357   1HB   LYS  48          2HB       LYS  48  68.499  -4.172  -4.596
  358   2HB   LYS  48          1HB       LYS  48  70.221  -4.063  -4.250
  359   1HG   LYS  48          2HG       LYS  48  68.243  -2.637  -2.492
  360   2HG   LYS  48          1HG       LYS  48  68.519  -4.364  -2.292
  361   1HD   LYS  48          2HD       LYS  48  70.512  -4.046  -1.307
  362   2HD   LYS  48          1HD       LYS  48  71.009  -2.853  -2.502
  363   1HE   LYS  48          2HE       LYS  48  69.105  -2.263  -0.230
  364   2HE   LYS  48          1HE       LYS  48  70.841  -1.983  -0.149
  365   1HZ   LYS  48          1HZ       LYS  48  70.601  -0.539  -2.119
  366   2HZ   LYS  48          3HZ       LYS  48  68.918  -0.723  -2.022
  367   3HZ   LYS  48          2HZ       LYS  48  69.763   0.034  -0.758
  368    H    ALA  49           H        ALA  49  69.177  -3.637  -6.927
  369    HA   ALA  49           HA       ALA  49  70.461  -4.050  -8.777
  370   1HB   ALA  49          1HB       ALA  49  69.957  -1.454  -8.848
  371   2HB   ALA  49          3HB       ALA  49  71.698  -1.342  -8.581
  372   3HB   ALA  49          2HB       ALA  49  71.075  -2.195  -9.996
  373    H    SER  50           H        SER  50  71.656  -5.495  -7.255
  374    HA   SER  50           HA       SER  50  74.098  -4.752  -6.061
  375   1HB   SER  50          2HB       SER  50  72.541  -6.980  -6.029
  376   2HB   SER  50          1HB       SER  50  73.880  -7.520  -7.036
  377    HG   SER  50           HG       SER  50  74.360  -6.151  -4.608
   
  No H/Q in entry =         377
  Start of MODEL   15
    1   1H    ALA   1          3H        ALA   1  34.916 -28.967 -13.645
    2   2H    ALA   1          2H        ALA   1  35.923 -29.417 -12.354
    3   3H    ALA   1          1H        ALA   1  36.482 -28.326 -13.530
    4    HA   ALA   1           HA       ALA   1  36.405 -30.026 -15.216
    5   1HB   ALA   1          3HB       ALA   1  37.877 -30.895 -12.708
    6   2HB   ALA   1          2HB       ALA   1  38.211 -31.489 -14.335
    7   3HB   ALA   1          1HB       ALA   1  38.497 -29.791 -13.937
    8    H    GLU   2           H        GLU   2  34.707 -31.250 -15.775
    9    HA   GLU   2           HA       GLU   2  33.337 -33.089 -15.885
   10   1HB   GLU   2          2HB       GLU   2  35.606 -34.134 -15.020
   11   2HB   GLU   2          1HB       GLU   2  34.673 -34.359 -13.542
   12   1HG   GLU   2          2HG       GLU   2  33.729 -36.178 -14.434
   13   2HG   GLU   2          1HG       GLU   2  33.033 -35.178 -15.709
   14    H    GLY   3           H        GLY   3  32.405 -30.906 -14.519
   15   1HA   GLY   3          2HA       GLY   3  30.251 -31.898 -13.061
   16   2HA   GLY   3          1HA       GLY   3  31.482 -31.417 -11.895
   17    H    ASP   4           H        ASP   4  29.332 -30.037 -11.558
   18    HA   ASP   4           HA       ASP   4  29.969 -27.371 -12.571
   19   1HB   ASP   4          2HB       ASP   4  28.136 -28.647 -13.982
   20   2HB   ASP   4          1HB       ASP   4  27.095 -28.172 -12.639
   21    H    ASP   5           H        ASP   5  30.589 -27.984 -10.112
   22    HA   ASP   5           HA       ASP   5  29.112 -26.256  -8.483
   23   1HB   ASP   5          2HB       ASP   5  27.547 -28.318  -8.725
   24   2HB   ASP   5          1HB       ASP   5  28.670 -29.087  -7.604
   25    HA   PRO   6           HA       PRO   6  33.210 -27.237  -6.793
   26   1HB   PRO   6          2HB       PRO   6  33.820 -24.711  -6.048
   27   2HB   PRO   6          1HB       PRO   6  34.044 -25.320  -7.695
   28   1HG   PRO   6          2HG       PRO   6  31.996 -23.485  -6.629
   29   2HG   PRO   6          1HG       PRO   6  32.641 -23.628  -8.271
   30   1HD   PRO   6          2HD       PRO   6  30.176 -24.625  -7.339
   31   2HD   PRO   6          1HD       PRO   6  30.942 -24.979  -8.897
   32    H    ALA   7           H        ALA   7  30.464 -25.653  -5.387
   33    HA   ALA   7           HA       ALA   7  29.588 -25.739  -3.265
   34   1HB   ALA   7          2HB       ALA   7  31.254 -27.979  -3.355
   35   2HB   ALA   7          1HB       ALA   7  31.707 -27.133  -1.874
   36   3HB   ALA   7          3HB       ALA   7  30.030 -27.617  -2.137
   37    H    LYS   8           H        LYS   8  32.260 -24.158  -4.212
   38    HA   LYS   8           HA       LYS   8  32.605 -22.841  -1.601
   39   1HB   LYS   8          2HB       LYS   8  34.720 -23.657  -1.829
   40   2HB   LYS   8          1HB       LYS   8  34.572 -23.855  -3.566
   41   1HG   LYS   8          2HG       LYS   8  35.212 -21.644  -4.009
   42   2HG   LYS   8          1HG       LYS   8  34.832 -21.107  -2.378
   43   1HD   LYS   8          2HD       LYS   8  37.340 -21.436  -3.103
   44   2HD   LYS   8          1HD       LYS   8  36.811 -21.867  -1.484
   45   1HE   LYS   8          2HE       LYS   8  38.314 -23.544  -2.711
   46   2HE   LYS   8          1HE       LYS   8  36.852 -24.185  -1.964
   47   1HZ   LYS   8          2HZ       LYS   8  36.298 -23.348  -4.607
   48   2HZ   LYS   8          1HZ       LYS   8  37.638 -24.390  -4.614
   49   3HZ   LYS   8          3HZ       LYS   8  36.174 -24.902  -3.930
   50    H    ALA   9           H        ALA   9  32.989 -22.357  -5.119
   51    HA   ALA   9           HA       ALA   9  32.993 -19.583  -5.182
   52   1HB   ALA   9          3HB       ALA   9  33.445 -21.055  -7.126
   53   2HB   ALA   9          2HB       ALA   9  31.722 -21.426  -7.214
   54   3HB   ALA   9          1HB       ALA   9  32.286 -19.777  -7.498
   55    H    ALA  10           H        ALA  10  30.154 -21.639  -5.860
   56    HA   ALA  10           HA       ALA  10  28.235 -19.617  -5.818
   57   1HB   ALA  10          3HB       ALA  10  28.233 -22.560  -5.556
   58   2HB   ALA  10          2HB       ALA  10  26.816 -21.733  -4.902
   59   3HB   ALA  10          1HB       ALA  10  27.263 -21.514  -6.596
   60    H    PHE  11           H        PHE  11  29.157 -21.829  -3.180
   61    HA   PHE  11           HA       PHE  11  27.541 -20.816  -1.168
   62   1HB   PHE  11          2HB       PHE  11  29.276 -22.803  -1.242
   63   2HB   PHE  11          1HB       PHE  11  30.343 -21.608  -0.526
   64    HD1  PHE  11           HD1      PHE  11  27.013 -23.233  -0.102
   65    HD2  PHE  11           HD2      PHE  11  30.238 -21.154   1.807
   66    HE1  PHE  11           HE1      PHE  11  26.008 -23.672   2.099
   67    HE2  PHE  11           HE2      PHE  11  29.219 -21.602   3.996
   68    HZ   PHE  11           HZ       PHE  11  27.108 -22.859   4.147
   69    H    ASN  12           H        ASN  12  30.570 -19.601  -2.444
   70    HA   ASN  12           HA       ASN  12  30.971 -17.619  -0.405
   71   1HB   ASN  12          2HB       ASN  12  32.846 -18.508  -1.709
   72   2HB   ASN  12          1HB       ASN  12  32.142 -17.848  -3.185
   73   1HD2  ASN  12          2HD2      ASN  12  34.554 -15.578  -1.033
   74   2HD2  ASN  12          1HD2      ASN  12  34.450 -17.302  -0.971
   75    H    SER  13           H        SER  13  29.512 -17.713  -3.605
   76    HA   SER  13           HA       SER  13  29.098 -14.928  -3.919
   77   1HB   SER  13          2HB       SER  13  27.082 -16.644  -5.150
   78   2HB   SER  13          1HB       SER  13  28.227 -15.532  -5.899
   79    HG   SER  13           HG       SER  13  29.642 -17.119  -6.142
   80    H    LEU  14           H        LEU  14  27.389 -17.422  -2.201
   81    HA   LEU  14           HA       LEU  14  24.914 -16.024  -1.926
   82   1HB   LEU  14          2HB       LEU  14  24.948 -18.421  -1.703
   83   2HB   LEU  14          1HB       LEU  14  26.132 -18.327  -0.404
   84    HG   LEU  14           HG       LEU  14  24.498 -17.155   1.016
   85   1HD1  LEU  14          2HD1      LEU  14  22.743 -17.396  -1.414
   86   2HD1  LEU  14          1HD1      LEU  14  22.041 -17.301   0.199
   87   3HD1  LEU  14          3HD1      LEU  14  23.053 -15.985  -0.398
   88   1HD2  LEU  14          2HD2      LEU  14  23.653 -19.830  -0.105
   89   2HD2  LEU  14          1HD2      LEU  14  24.522 -19.493   1.396
   90   3HD2  LEU  14          3HD2      LEU  14  22.816 -19.067   1.246
   91    H    GLN  15           H        GLN  15  27.920 -16.093  -0.156
   92    HA   GLN  15           HA       GLN  15  26.793 -14.614   2.088
   93   1HB   GLN  15          2HB       GLN  15  28.405 -16.260   2.716
   94   2HB   GLN  15          1HB       GLN  15  29.552 -15.701   1.504
   95   1HG   GLN  15          2HG       GLN  15  30.106 -13.764   2.740
   96   2HG   GLN  15          1HG       GLN  15  28.675 -13.892   3.756
   97   1HE2  GLN  15          2HD2      GLN  15  31.892 -16.334   4.565
   98   2HE2  GLN  15          1HD2      GLN  15  31.651 -15.729   2.961
   99    H    ALA  16           H        ALA  16  29.202 -14.114  -0.476
  100    HA   ALA  16           HA       ALA  16  29.956 -11.509   0.143
  101   1HB   ALA  16          1HB       ALA  16  30.718 -13.218  -1.752
  102   2HB   ALA  16          3HB       ALA  16  29.642 -12.213  -2.724
  103   3HB   ALA  16          2HB       ALA  16  31.010 -11.482  -1.886
  104    H    SER  17           H        SER  17  27.003 -12.696  -1.122
  105    HA   SER  17           HA       SER  17  26.027 -10.417  -2.456
  106   1HB   SER  17          2HB       SER  17  24.638 -12.675  -1.022
  107   2HB   SER  17          1HB       SER  17  23.764 -11.410  -1.880
  108    HG   SER  17           HG       SER  17  25.297 -13.516  -2.862
  109    H    ALA  18           H        ALA  18  25.565 -11.514   0.902
  110    HA   ALA  18           HA       ALA  18  24.049  -9.312   1.781
  111   1HB   ALA  18          1HB       ALA  18  24.256 -11.428   3.039
  112   2HB   ALA  18          3HB       ALA  18  25.944 -11.042   3.384
  113   3HB   ALA  18          2HB       ALA  18  24.656 -10.027   4.037
  114    H    THR  19           H        THR  19  27.519  -9.887   1.639
  115    HA   THR  19           HA       THR  19  28.050  -7.200   2.695
  116    HB   THR  19           HB       THR  19  29.271  -9.263   3.536
  117    HG1  THR  19           HG1      THR  19  30.803  -7.917   4.080
  118   1HG2  THR  19          1HG2      THR  19  29.925  -9.512   0.752
  119   2HG2  THR  19          3HG2      THR  19  31.407  -9.218   1.661
  120   3HG2  THR  19          2HG2      THR  19  30.369 -10.579   2.086
  121    H    GLU  20           H        GLU  20  26.895  -7.716   0.029
  122    HA   GLU  20           HA       GLU  20  28.997  -7.086  -1.854
  123   1HB   GLU  20          2HB       GLU  20  26.817  -8.505  -2.205
  124   2HB   GLU  20          1HB       GLU  20  26.093  -6.934  -2.522
  125   1HG   GLU  20          2HG       GLU  20  28.032  -6.579  -4.183
  126   2HG   GLU  20          1HG       GLU  20  28.287  -8.322  -4.051
  127    H    TYR  21           H        TYR  21  26.724  -5.412   0.050
  128    HA   TYR  21           HA       TYR  21  26.879  -2.956  -1.516
  129   1HB   TYR  21          2HB       TYR  21  25.288  -3.883   0.829
  130   2HB   TYR  21          1HB       TYR  21  25.533  -2.156   0.618
  131    HD1  TYR  21           HD2      TYR  21  24.810  -1.078  -1.544
  132    HD2  TYR  21           HD1      TYR  21  23.728  -5.079  -0.497
  133    HE1  TYR  21           HE2      TYR  21  22.994  -1.028  -3.206
  134    HE2  TYR  21           HE1      TYR  21  21.916  -5.018  -2.161
  135    HH   TYR  21           HH       TYR  21  20.927  -2.121  -3.711
  136    H    ILE  22           H        ILE  22  28.333  -4.434   1.245
  137    HA   ILE  22           HA       ILE  22  29.482  -1.962   2.268
  138    HB   ILE  22           HB       ILE  22  29.604  -4.872   3.069
  139   1HG1  ILE  22          2HG1      ILE  22  28.379  -4.219   5.041
  140   2HG1  ILE  22          1HG1      ILE  22  28.626  -2.497   4.711
  141   1HG2  ILE  22          2HG2      ILE  22  31.341  -2.614   4.057
  142   2HG2  ILE  22          1HG2      ILE  22  30.919  -3.950   5.139
  143   3HG2  ILE  22          3HG2      ILE  22  31.783  -4.266   3.634
  144   1HD1  ILE  22          1HD1      ILE  22  27.112  -4.179   2.737
  145   2HD1  ILE  22          3HD1      ILE  22  26.325  -3.585   4.195
  146   3HD1  ILE  22          2HD1      ILE  22  27.015  -2.446   3.042
  147    H    GLY  23           H        GLY  23  30.579  -4.912   0.655
  148   1HA   GLY  23          2HA       GLY  23  33.263  -4.774   0.626
  149   2HA   GLY  23          1HA       GLY  23  32.347  -5.227  -0.807
  150    H    TYR  24           H        TYR  24  31.138  -2.588  -1.144
  151    HA   TYR  24           HA       TYR  24  32.983  -1.415  -2.879
  152   1HB   TYR  24          2HB       TYR  24  30.475  -0.443  -1.575
  153   2HB   TYR  24          1HB       TYR  24  31.456   0.664  -2.520
  154    HD1  TYR  24           HD1      TYR  24  32.090  -0.086  -4.917
  155    HD2  TYR  24           HD2      TYR  24  28.893  -1.826  -2.667
  156    HE1  TYR  24           HE1      TYR  24  31.069  -0.925  -6.994
  157    HE2  TYR  24           HE2      TYR  24  27.888  -2.655  -4.748
  158    HH   TYR  24           HH       TYR  24  29.386  -3.021  -7.508
  159    H    ALA  25           H        ALA  25  32.537  -0.995   0.548
  160    HA   ALA  25           HA       ALA  25  33.973   1.468   0.771
  161   1HB   ALA  25          2HB       ALA  25  32.326   0.082   2.423
  162   2HB   ALA  25          1HB       ALA  25  33.901  -0.301   3.122
  163   3HB   ALA  25          3HB       ALA  25  33.398   1.381   2.951
  164    H    TRP  26           H        TRP  26  35.052  -1.612   0.017
  165    HA   TRP  26           HA       TRP  26  37.569  -1.407   1.465
  166   1HB   TRP  26          2HB       TRP  26  36.076  -3.496   0.079
  167   2HB   TRP  26          1HB       TRP  26  37.799  -3.529  -0.251
  168    HD1  TRP  26          1HD       TRP  26  35.288  -3.938   2.618
  169    HE1  TRP  26          1HE       TRP  26  36.479  -5.034   4.583
  170    HE3  TRP  26          3HE       TRP  26  40.085  -3.855   0.864
  171    HZ2  TRP  26          2HZ       TRP  26  39.089  -5.777   5.332
  172    HZ3  TRP  26          3HZ       TRP  26  41.894  -4.776   2.262
  173    HH2  TRP  26           HH2      TRP  26  41.403  -5.729   4.477
  174    H    ALA  27           H        ALA  27  36.499  -1.625  -1.928
  175    HA   ALA  27           HA       ALA  27  38.914  -1.373  -3.216
  176   1HB   ALA  27          2HB       ALA  27  36.116  -0.730  -3.870
  177   2HB   ALA  27          1HB       ALA  27  37.321   0.137  -4.824
  178   3HB   ALA  27          3HB       ALA  27  37.320  -1.628  -4.799
  179    H    MET  28           H        MET  28  37.168   1.041  -1.439
  180    HA   MET  28           HA       MET  28  38.621   3.297  -2.489
  181   1HB   MET  28          2HB       MET  28  36.488   2.835  -0.516
  182   2HB   MET  28          1HB       MET  28  37.591   4.124  -0.085
  183   1HG   MET  28          2HG       MET  28  35.933   3.907  -2.604
  184   2HG   MET  28          1HG       MET  28  35.739   5.066  -1.299
  185   1HE   MET  28          1HE       MET  28  36.205   4.784  -4.465
  186   2HE   MET  28          3HE       MET  28  36.357   6.546  -4.550
  187   3HE   MET  28          2HE       MET  28  37.685   5.517  -5.084
  188    H    VAL  29           H        VAL  29  38.714   1.352   0.473
  189    HA   VAL  29           HA       VAL  29  40.827   2.768   1.715
  190    HB   VAL  29           HB       VAL  29  39.900  -0.082   2.057
  191   1HG1  VAL  29          2HG1      VAL  29  41.654   1.658   3.786
  192   2HG1  VAL  29          1HG1      VAL  29  40.949   0.123   4.302
  193   3HG1  VAL  29          3HG1      VAL  29  42.107   0.159   2.972
  194   1HG2  VAL  29          3HG2      VAL  29  38.710   2.429   2.755
  195   2HG2  VAL  29          2HG2      VAL  29  38.097   0.796   3.022
  196   3HG2  VAL  29          1HG2      VAL  29  39.143   1.554   4.225
  197    H    VAL  30           H        VAL  30  40.705   0.305  -0.731
  198    HA   VAL  30           HA       VAL  30  43.402  -0.592  -0.486
  199    HB   VAL  30           HB       VAL  30  41.383  -0.765  -2.719
  200   1HG1  VAL  30          1HG1      VAL  30  44.153  -1.831  -2.448
  201   2HG1  VAL  30          3HG1      VAL  30  42.941  -2.768  -3.322
  202   3HG1  VAL  30          2HG1      VAL  30  43.346  -1.135  -3.853
  203   1HG2  VAL  30          1HG2      VAL  30  40.911  -1.887  -0.480
  204   2HG2  VAL  30          3HG2      VAL  30  40.855  -2.915  -1.912
  205   3HG2  VAL  30          2HG2      VAL  30  42.267  -2.955  -0.853
  206    H    VAL  31           H        VAL  31  41.743   1.937  -2.264
  207    HA   VAL  31           HA       VAL  31  43.974   2.584  -3.942
  208    HB   VAL  31           HB       VAL  31  41.370   3.965  -3.337
  209   1HG1  VAL  31          2HG1      VAL  31  43.721   4.912  -4.781
  210   2HG1  VAL  31          1HG1      VAL  31  42.234   4.973  -5.731
  211   3HG1  VAL  31          3HG1      VAL  31  42.321   5.800  -4.177
  212   1HG2  VAL  31          1HG2      VAL  31  41.336   1.767  -4.560
  213   2HG2  VAL  31          3HG2      VAL  31  40.638   3.122  -5.452
  214   3HG2  VAL  31          2HG2      VAL  31  42.259   2.544  -5.848
  215    H    ILE  32           H        ILE  32  42.939   3.411  -0.782
  216    HA   ILE  32           HA       ILE  32  44.596   5.818  -0.657
  217    HB   ILE  32           HB       ILE  32  42.871   4.495   1.432
  218   1HG1  ILE  32          2HG1      ILE  32  42.347   6.950  -0.250
  219   2HG1  ILE  32          1HG1      ILE  32  41.630   5.367  -0.527
  220   1HG2  ILE  32          2HG2      ILE  32  44.757   5.897   2.302
  221   2HG2  ILE  32          1HG2      ILE  32  44.049   7.273   1.452
  222   3HG2  ILE  32          3HG2      ILE  32  43.149   6.477   2.745
  223   1HD1  ILE  32          2HD1      ILE  32  40.861   5.585   1.969
  224   2HD1  ILE  32          1HD1      ILE  32  41.131   7.308   1.702
  225   3HD1  ILE  32          3HD1      ILE  32  39.970   6.432   0.702
  226    H    VAL  33           H        VAL  33  44.448   2.545   0.669
  227    HA   VAL  33           HA       VAL  33  46.825   2.884   2.260
  228    HB   VAL  33           HB       VAL  33  45.005   0.573   1.624
  229   1HG1  VAL  33          1HG1      VAL  33  47.680   0.548   2.738
  230   2HG1  VAL  33          3HG1      VAL  33  46.487  -0.166   3.824
  231   3HG1  VAL  33          2HG1      VAL  33  46.670  -0.785   2.181
  232   1HG2  VAL  33          3HG2      VAL  33  44.491   2.614   3.240
  233   2HG2  VAL  33          2HG2      VAL  33  43.988   0.967   3.629
  234   3HG2  VAL  33          1HG2      VAL  33  45.446   1.641   4.361
  235    H    GLY  34           H        GLY  34  45.958   1.739  -0.906
  236   1HA   GLY  34          2HA       GLY  34  48.173   0.084  -1.448
  237   2HA   GLY  34          1HA       GLY  34  47.187   0.903  -2.659
  238    H    ALA  35           H        ALA  35  47.648   3.549  -2.120
  239    HA   ALA  35           HA       ALA  35  49.982   4.164  -3.457
  240   1HB   ALA  35          1HB       ALA  35  48.275   5.704  -1.532
  241   2HB   ALA  35          3HB       ALA  35  49.772   6.413  -2.143
  242   3HB   ALA  35          2HB       ALA  35  48.495   5.941  -3.268
  243    H    THR  36           H        THR  36  49.535   3.343  -0.118
  244    HA   THR  36           HA       THR  36  52.165   4.234   0.723
  245    HB   THR  36           HB       THR  36  49.874   2.799   2.045
  246    HG1  THR  36           HG1      THR  36  49.609   4.696   3.035
  247   1HG2  THR  36          1HG2      THR  36  52.692   2.902   2.900
  248   2HG2  THR  36          3HG2      THR  36  51.507   3.362   4.127
  249   3HG2  THR  36          2HG2      THR  36  51.407   1.778   3.351
  250    H    ILE  37           H        ILE  37  50.517   1.071   0.389
  251    HA   ILE  37           HA       ILE  37  52.691  -0.562   0.983
  252    HB   ILE  37           HB       ILE  37  50.476  -1.047  -0.998
  253   1HG1  ILE  37          2HG1      ILE  37  50.719  -1.780   1.907
  254   2HG1  ILE  37          1HG1      ILE  37  49.684  -0.516   1.256
  255   1HG2  ILE  37          2HG2      ILE  37  52.475  -2.901   0.270
  256   2HG2  ILE  37          1HG2      ILE  37  50.957  -3.469  -0.430
  257   3HG2  ILE  37          3HG2      ILE  37  52.149  -2.657  -1.448
  258   1HD1  ILE  37          2HD1      ILE  37  49.457  -3.349   0.276
  259   2HD1  ILE  37          1HD1      ILE  37  48.639  -2.835   1.754
  260   3HD1  ILE  37          3HD1      ILE  37  48.256  -2.057   0.217
  261    H    GLY  38           H        GLY  38  51.965   1.274  -1.874
  262   1HA   GLY  38          2HA       GLY  38  53.569   0.038  -3.795
  263   2HA   GLY  38          1HA       GLY  38  53.207   1.766  -3.739
  264    H    ILE  39           H        ILE  39  54.351   2.642  -1.550
  265    HA   ILE  39           HA       ILE  39  57.107   2.772  -2.233
  266    HB   ILE  39           HB       ILE  39  55.571   3.753   0.173
  267   1HG1  ILE  39          2HG1      ILE  39  56.610   5.647  -1.818
  268   2HG1  ILE  39          1HG1      ILE  39  55.363   4.565  -2.426
  269   1HG2  ILE  39          3HG2      ILE  39  58.092   3.460   0.441
  270   2HG2  ILE  39          2HG2      ILE  39  58.244   4.739  -0.765
  271   3HG2  ILE  39          1HG2      ILE  39  57.428   5.061   0.766
  272   1HD1  ILE  39          2HD1      ILE  39  54.760   5.702   0.208
  273   2HD1  ILE  39          1HD1      ILE  39  54.888   6.899  -1.081
  274   3HD1  ILE  39          3HD1      ILE  39  53.742   5.566  -1.230
  275    H    LYS  40           H        LYS  40  55.457   1.495   0.682
  276    HA   LYS  40           HA       LYS  40  57.629   0.463   2.021
  277   1HB   LYS  40          2HB       LYS  40  54.821   0.167   2.173
  278   2HB   LYS  40          1HB       LYS  40  55.511  -1.443   2.142
  279   1HG   LYS  40          2HG       LYS  40  55.622  -1.108   4.376
  280   2HG   LYS  40          1HG       LYS  40  57.180  -0.424   3.933
  281   1HD   LYS  40          2HD       LYS  40  54.601   1.095   4.420
  282   2HD   LYS  40          1HD       LYS  40  55.992   1.046   5.490
  283   1HE   LYS  40          2HE       LYS  40  57.276   2.421   4.097
  284   2HE   LYS  40          1HE       LYS  40  56.284   2.077   2.670
  285   1HZ   LYS  40          2HZ       LYS  40  54.443   3.232   3.967
  286   2HZ   LYS  40          1HZ       LYS  40  55.687   3.844   4.949
  287   3HZ   LYS  40          3HZ       LYS  40  55.669   4.196   3.290
  288    H    LEU  41           H        LEU  41  55.969  -0.869  -0.763
  289    HA   LEU  41           HA       LEU  41  57.134  -3.428  -0.782
  290   1HB   LEU  41          2HB       LEU  41  55.852  -1.659  -2.804
  291   2HB   LEU  41          1HB       LEU  41  56.760  -3.049  -3.387
  292    HG   LEU  41           HG       LEU  41  54.469  -3.093  -1.415
  293   1HD1  LEU  41          3HD1      LEU  41  54.342  -2.884  -4.139
  294   2HD1  LEU  41          2HD1      LEU  41  54.241  -4.629  -3.893
  295   3HD1  LEU  41          1HD1      LEU  41  53.078  -3.559  -3.109
  296   1HD2  LEU  41          1HD2      LEU  41  56.491  -5.119  -2.113
  297   2HD2  LEU  41          3HD2      LEU  41  55.458  -4.985  -0.688
  298   3HD2  LEU  41          2HD2      LEU  41  54.820  -5.681  -2.179
  299    H    PHE  42           H        PHE  42  58.242  -0.323  -2.024
  300    HA   PHE  42           HA       PHE  42  60.477  -1.268  -3.476
  301   1HB   PHE  42          2HB       PHE  42  59.484   0.974  -3.756
  302   2HB   PHE  42          1HB       PHE  42  60.073   1.417  -2.160
  303    HD1  PHE  42           HD2      PHE  42  61.196   0.265  -5.513
  304    HD2  PHE  42           HD1      PHE  42  62.230   2.269  -1.888
  305    HE1  PHE  42           HE2      PHE  42  63.346   0.946  -6.504
  306    HE2  PHE  42           HE1      PHE  42  64.381   2.951  -2.879
  307    HZ   PHE  42           HZ       PHE  42  64.939   2.289  -5.187
  308    H    LYS  43           H        LYS  43  60.257   0.196  -0.237
  309    HA   LYS  43           HA       LYS  43  62.898   0.057   0.533
  310   1HB   LYS  43          2HB       LYS  43  60.365  -0.245   2.114
  311   2HB   LYS  43          1HB       LYS  43  61.957  -0.110   2.862
  312   1HG   LYS  43          2HG       LYS  43  61.555   1.893   0.791
  313   2HG   LYS  43          1HG       LYS  43  60.312   1.981   2.024
  314   1HD   LYS  43          2HD       LYS  43  61.950   2.253   3.783
  315   2HD   LYS  43          1HD       LYS  43  63.270   1.936   2.663
  316   1HE   LYS  43          2HE       LYS  43  61.832   4.428   3.220
  317   2HE   LYS  43          1HE       LYS  43  63.437   4.176   2.539
  318   1HZ   LYS  43          2HZ       LYS  43  62.407   3.703   0.397
  319   2HZ   LYS  43          1HZ       LYS  43  60.866   3.974   1.059
  320   3HZ   LYS  43          3HZ       LYS  43  61.980   5.249   0.955
  321    H    LYS  44           H        LYS  44  60.625  -2.527   0.157
  322    HA   LYS  44           HA       LYS  44  62.215  -4.428   1.688
  323   1HB   LYS  44          2HB       LYS  44  60.021  -4.925   2.043
  324   2HB   LYS  44          1HB       LYS  44  59.511  -4.318   0.487
  325   1HG   LYS  44          2HG       LYS  44  59.158  -6.752   0.749
  326   2HG   LYS  44          1HG       LYS  44  60.206  -6.339  -0.616
  327   1HD   LYS  44          2HD       LYS  44  60.967  -8.344   0.918
  328   2HD   LYS  44          1HD       LYS  44  62.163  -7.111   0.514
  329   1HE   LYS  44          2HE       LYS  44  62.374  -7.548   2.848
  330   2HE   LYS  44          1HE       LYS  44  61.596  -5.976   2.700
  331   1HZ   LYS  44          3HZ       LYS  44  59.479  -7.586   2.761
  332   2HZ   LYS  44          2HZ       LYS  44  60.555  -8.476   3.729
  333   3HZ   LYS  44          1HZ       LYS  44  60.159  -6.876   4.143
  334    H    PHE  45           H        PHE  45  60.791  -4.579  -1.561
  335    HA   PHE  45           HA       PHE  45  62.311  -6.553  -2.686
  336   1HB   PHE  45          2HB       PHE  45  60.929  -4.144  -3.731
  337   2HB   PHE  45          1HB       PHE  45  61.993  -5.012  -4.811
  338    HD1  PHE  45           HD1      PHE  45  61.484  -7.343  -5.497
  339    HD2  PHE  45           HD2      PHE  45  58.857  -5.137  -2.928
  340    HE1  PHE  45           HE1      PHE  45  59.699  -8.985  -5.894
  341    HE2  PHE  45           HE2      PHE  45  57.083  -6.789  -3.338
  342    HZ   PHE  45           HZ       PHE  45  57.501  -8.712  -4.818
  343    H    THR  46           H        THR  46  63.281  -3.277  -2.010
  344    HA   THR  46           HA       THR  46  65.662  -3.474  -3.653
  345    HB   THR  46           HB       THR  46  66.046  -1.198  -2.954
  346    HG1  THR  46           HG1      THR  46  64.694  -0.221  -1.442
  347   1HG2  THR  46          3HG2      THR  46  63.609  -2.126  -4.199
  348   2HG2  THR  46          2HG2      THR  46  63.359  -0.575  -3.388
  349   3HG2  THR  46          1HG2      THR  46  64.622  -0.738  -4.611
  350    H    SER  47           H        SER  47  64.716  -4.040  -0.386
  351    HA   SER  47           HA       SER  47  67.425  -3.857   0.668
  352   1HB   SER  47          2HB       SER  47  64.717  -4.371   1.813
  353   2HB   SER  47          1HB       SER  47  66.136  -4.898   2.712
  354    HG   SER  47           HG       SER  47  65.192  -2.341   2.194
  355    H    LYS  48           H        LYS  48  65.218  -6.259  -0.538
  356    HA   LYS  48           HA       LYS  48  66.036  -8.604   0.574
  357   1HB   LYS  48          2HB       LYS  48  65.121  -7.865  -2.171
  358   2HB   LYS  48          1HB       LYS  48  65.738  -9.492  -1.906
  359   1HG   LYS  48          2HG       LYS  48  63.661  -8.385  -0.044
  360   2HG   LYS  48          1HG       LYS  48  63.181  -8.980  -1.629
  361   1HD   LYS  48          2HD       LYS  48  64.990 -10.819  -0.275
  362   2HD   LYS  48          1HD       LYS  48  63.525 -10.515   0.657
  363   1HE   LYS  48          2HE       LYS  48  63.529 -11.285  -2.264
  364   2HE   LYS  48          1HE       LYS  48  63.375 -12.446  -0.948
  365   1HZ   LYS  48          3HZ       LYS  48  61.428 -11.077  -0.194
  366   2HZ   LYS  48          2HZ       LYS  48  61.517 -10.264  -1.683
  367   3HZ   LYS  48          1HZ       LYS  48  61.209 -11.934  -1.641
  368    H    ALA  49           H        ALA  49  67.489  -7.241  -2.389
  369    HA   ALA  49           HA       ALA  49  69.550  -7.541  -3.343
  370   1HB   ALA  49          2HB       ALA  49  69.956  -6.660  -0.793
  371   2HB   ALA  49          1HB       ALA  49  70.908  -8.147  -0.804
  372   3HB   ALA  49          3HB       ALA  49  71.235  -6.881  -1.989
  373    H    SER  50           H        SER  50  68.565  -9.602  -4.129
  374    HA   SER  50           HA       SER  50  70.397 -11.728  -3.928
  375   1HB   SER  50          2HB       SER  50  69.135 -11.875  -1.694
  376   2HB   SER  50          1HB       SER  50  67.761 -12.412  -2.651
  377    HG   SER  50           HG       SER  50  69.671 -13.919  -1.760
   
  No H/Q in entry =         377
  Start of MODEL   16
    1   1H    ALA   1          2H        ALA   1  24.949  12.305  34.431
    2   2H    ALA   1          1H        ALA   1  23.612  12.503  35.461
    3   3H    ALA   1          3H        ALA   1  23.664  13.320  33.976
    4    HA   ALA   1           HA       ALA   1  25.122  14.882  34.682
    5   1HB   ALA   1          2HB       ALA   1  23.042  14.950  36.111
    6   2HB   ALA   1          1HB       ALA   1  23.922  14.033  37.336
    7   3HB   ALA   1          3HB       ALA   1  24.467  15.651  36.889
    8    H    GLU   2           H        GLU   2  27.118  15.368  35.469
    9    HA   GLU   2           HA       GLU   2  29.250  15.000  36.229
   10   1HB   GLU   2          2HB       GLU   2  27.848  14.865  38.381
   11   2HB   GLU   2          1HB       GLU   2  28.065  13.121  38.256
   12   1HG   GLU   2          2HG       GLU   2  30.485  14.848  38.028
   13   2HG   GLU   2          1HG       GLU   2  29.764  14.638  39.624
   14    H    GLY   3           H        GLY   3  29.539  13.832  34.175
   15   1HA   GLY   3          2HA       GLY   3  31.009  11.504  34.411
   16   2HA   GLY   3          1HA       GLY   3  29.364  10.996  34.029
   17    H    ASP   4           H        ASP   4  32.266  11.683  32.676
   18    HA   ASP   4           HA       ASP   4  31.044  12.481  30.107
   19   1HB   ASP   4          2HB       ASP   4  32.408  14.295  31.017
   20   2HB   ASP   4          1HB       ASP   4  33.783  13.201  31.154
   21    H    ASP   5           H        ASP   5  34.241  11.320  31.083
   22    HA   ASP   5           HA       ASP   5  34.729   9.748  28.849
   23   1HB   ASP   5          2HB       ASP   5  36.449  10.403  30.482
   24   2HB   ASP   5          1HB       ASP   5  35.739   9.298  31.659
   25    HA   PRO   6           HA       PRO   6  31.832   6.461  29.960
   26   1HB   PRO   6          2HB       PRO   6  31.348   5.645  27.422
   27   2HB   PRO   6          1HB       PRO   6  30.546   7.031  28.173
   28   1HG   PRO   6          2HG       PRO   6  32.578   6.982  26.070
   29   2HG   PRO   6          1HG       PRO   6  31.462   8.274  26.530
   30   1HD   PRO   6          2HD       PRO   6  34.242   8.025  27.193
   31   2HD   PRO   6          1HD       PRO   6  33.121   9.331  27.620
   32    H    ALA   7           H        ALA   7  34.415   6.118  27.545
   33    HA   ALA   7           HA       ALA   7  36.147   4.599  27.443
   34   1HB   ALA   7          2HB       ALA   7  35.324   4.192  30.018
   35   2HB   ALA   7          1HB       ALA   7  35.050   2.605  29.297
   36   3HB   ALA   7          3HB       ALA   7  36.655   3.336  29.237
   37    H    LYS   8           H        LYS   8  32.918   3.167  27.869
   38    HA   LYS   8           HA       LYS   8  33.340   1.668  25.381
   39   1HB   LYS   8          2HB       LYS   8  33.695  -0.061  26.844
   40   2HB   LYS   8          1HB       LYS   8  32.698   0.653  28.105
   41   1HG   LYS   8          2HG       LYS   8  31.605  -1.374  27.238
   42   2HG   LYS   8          1HG       LYS   8  30.676   0.068  26.823
   43   1HD   LYS   8          2HD       LYS   8  31.027  -1.703  24.981
   44   2HD   LYS   8          1HD       LYS   8  31.275  -0.013  24.566
   45   1HE   LYS   8          2HE       LYS   8  33.024  -1.666  23.714
   46   2HE   LYS   8          1HE       LYS   8  33.641  -0.251  24.564
   47   1HZ   LYS   8          2HZ       LYS   8  33.129  -2.336  26.403
   48   2HZ   LYS   8          1HZ       LYS   8  34.107  -2.922  25.143
   49   3HZ   LYS   8          3HZ       LYS   8  34.601  -1.571  26.040
   50    H    ALA   9           H        ALA   9  30.888   2.470  27.851
   51    HA   ALA   9           HA       ALA   9  28.538   2.083  26.612
   52   1HB   ALA   9          1HB       ALA   9  29.506   4.144  28.493
   53   2HB   ALA   9          3HB       ALA   9  27.978   4.491  27.681
   54   3HB   ALA   9          2HB       ALA   9  28.154   3.018  28.639
   55    H    ALA  10           H        ALA  10  29.574   5.455  26.549
   56    HA   ALA  10           HA       ALA  10  28.114   6.282  24.384
   57   1HB   ALA  10          2HB       ALA  10  29.678   7.584  26.026
   58   2HB   ALA  10          1HB       ALA  10  30.874   7.375  24.745
   59   3HB   ALA  10          3HB       ALA  10  29.364   8.226  24.412
   60    H    PHE  11           H        PHE  11  31.467   5.083  24.290
   61    HA   PHE  11           HA       PHE  11  32.012   5.371  21.602
   62   1HB   PHE  11          2HB       PHE  11  33.260   4.147  23.735
   63   2HB   PHE  11          1HB       PHE  11  32.938   2.808  22.649
   64    HD1  PHE  11           HD2      PHE  11  34.627   6.105  22.938
   65    HD2  PHE  11           HD1      PHE  11  34.149   2.554  20.585
   66    HE1  PHE  11           HE2      PHE  11  36.556   6.748  21.557
   67    HE2  PHE  11           HE1      PHE  11  36.078   3.216  19.213
   68    HZ   PHE  11           HZ       PHE  11  37.282   5.308  19.697
   69    H    ASN  12           H        ASN  12  30.289   2.697  23.176
   70    HA   ASN  12           HA       ASN  12  29.959   1.170  20.786
   71   1HB   ASN  12          2HB       ASN  12  29.783   0.493  23.325
   72   2HB   ASN  12          1HB       ASN  12  28.084   0.910  23.093
   73   1HD2  ASN  12          2HD2      ASN  12  29.083  -2.694  22.129
   74   2HD2  ASN  12          1HD2      ASN  12  29.683  -1.689  23.400
   75    H    SER  13           H        SER  13  28.250   3.822  22.203
   76    HA   SER  13           HA       SER  13  25.726   3.423  20.955
   77   1HB   SER  13          2HB       SER  13  26.554   6.183  21.485
   78   2HB   SER  13          1HB       SER  13  25.134   5.296  22.048
   79    HG   SER  13           HG       SER  13  26.195   5.271  23.880
   80    H    LEU  14           H        LEU  14  28.718   4.244  19.618
   81    HA   LEU  14           HA       LEU  14  27.500   5.885  17.514
   82   1HB   LEU  14          2HB       LEU  14  30.360   5.312  18.283
   83   2HB   LEU  14          1HB       LEU  14  29.963   5.976  16.709
   84    HG   LEU  14           HG       LEU  14  30.588   7.671  18.379
   85   1HD1  LEU  14          2HD1      LEU  14  28.682   7.890  16.483
   86   2HD1  LEU  14          1HD1      LEU  14  27.732   8.305  17.911
   87   3HD1  LEU  14          3HD1      LEU  14  29.176   9.234  17.512
   88   1HD2  LEU  14          3HD2      LEU  14  28.058   6.815  19.797
   89   2HD2  LEU  14          2HD2      LEU  14  29.710   6.660  20.403
   90   3HD2  LEU  14          1HD2      LEU  14  28.996   8.258  20.180
   91    H    GLN  15           H        GLN  15  29.573   3.058  17.867
   92    HA   GLN  15           HA       GLN  15  29.819   2.099  15.349
   93   1HB   GLN  15          2HB       GLN  15  30.904   0.975  17.086
   94   2HB   GLN  15          1HB       GLN  15  29.422   0.779  18.008
   95   1HG   GLN  15          2HG       GLN  15  28.618  -0.815  16.254
   96   2HG   GLN  15          1HG       GLN  15  30.187  -0.675  15.464
   97   1HE2  GLN  15          2HD2      GLN  15  31.031  -3.512  17.355
   98   2HE2  GLN  15          1HD2      GLN  15  30.596  -2.892  15.802
   99    H    ALA  16           H        ALA  16  27.028   1.613  17.491
  100    HA   ALA  16           HA       ALA  16  25.542   0.314  15.320
  101   1HB   ALA  16          1HB       ALA  16  25.691  -0.284  17.950
  102   2HB   ALA  16          3HB       ALA  16  24.256   0.741  17.938
  103   3HB   ALA  16          2HB       ALA  16  24.315  -0.705  16.927
  104    H    SER  17           H        SER  17  26.163   3.245  15.426
  105    HA   SER  17           HA       SER  17  23.411   4.170  14.989
  106   1HB   SER  17          2HB       SER  17  23.557   6.014  16.387
  107   2HB   SER  17          1HB       SER  17  24.368   4.770  17.331
  108    HG   SER  17           HG       SER  17  25.480   6.922  15.863
  109    H    ALA  18           H        ALA  18  26.781   5.334  14.936
  110    HA   ALA  18           HA       ALA  18  26.261   6.888  12.531
  111   1HB   ALA  18          2HB       ALA  18  28.547   6.605  14.439
  112   2HB   ALA  18          1HB       ALA  18  28.812   7.324  12.851
  113   3HB   ALA  18          3HB       ALA  18  27.657   8.053  13.967
  114    H    THR  19           H        THR  19  25.785   4.432  11.772
  115    HA   THR  19           HA       THR  19  28.238   3.297  10.620
  116    HB   THR  19           HB       THR  19  26.540   1.875  11.870
  117    HG1  THR  19           HG1      THR  19  28.013   0.799  10.684
  118   1HG2  THR  19          3HG2      THR  19  24.776   2.964   9.905
  119   2HG2  THR  19          2HG2      THR  19  24.927   1.233   9.603
  120   3HG2  THR  19          1HG2      THR  19  24.403   1.809  11.187
  121    H    GLU  20           H        GLU  20  26.588   5.757   9.711
  122    HA   GLU  20           HA       GLU  20  25.895   4.940   7.003
  123   1HB   GLU  20          2HB       GLU  20  24.884   6.841   8.797
  124   2HB   GLU  20          1HB       GLU  20  25.654   7.764   7.510
  125   1HG   GLU  20          2HG       GLU  20  23.251   7.279   7.077
  126   2HG   GLU  20          1HG       GLU  20  24.327   6.640   5.838
  127    H    TYR  21           H        TYR  21  28.476   6.306   8.712
  128    HA   TYR  21           HA       TYR  21  29.660   7.412   6.248
  129   1HB   TYR  21          2HB       TYR  21  30.147   8.002   9.158
  130   2HB   TYR  21          1HB       TYR  21  31.237   8.539   7.890
  131    HD1  TYR  21           HD2      TYR  21  30.466  10.181   6.198
  132    HD2  TYR  21           HD1      TYR  21  28.012   9.040   9.508
  133    HE1  TYR  21           HE2      TYR  21  29.028  12.141   5.816
  134    HE2  TYR  21           HE1      TYR  21  26.579  11.003   9.114
  135    HH   TYR  21           HH       TYR  21  26.408  12.976   8.015
  136    H    ILE  22           H        ILE  22  29.938   4.895   8.579
  137    HA   ILE  22           HA       ILE  22  32.722   4.328   7.903
  138    HB   ILE  22           HB       ILE  22  30.925   2.624   9.599
  139   1HG1  ILE  22          2HG1      ILE  22  32.072   5.316  10.288
  140   2HG1  ILE  22          1HG1      ILE  22  30.604   4.537  10.891
  141   1HG2  ILE  22          3HG2      ILE  22  33.177   1.788   8.861
  142   2HG2  ILE  22          2HG2      ILE  22  33.912   3.081   9.816
  143   3HG2  ILE  22          1HG2      ILE  22  32.954   1.833  10.612
  144   1HD1  ILE  22          1HD1      ILE  22  32.309   2.928  12.089
  145   2HD1  ILE  22          3HD1      ILE  22  33.414   4.288  11.876
  146   3HD1  ILE  22          2HD1      ILE  22  31.913   4.505  12.779
  147    H    GLY  23           H        GLY  23  32.186   3.968   5.679
  148   1HA   GLY  23          2HA       GLY  23  31.951   1.211   5.029
  149   2HA   GLY  23          1HA       GLY  23  30.464   2.067   4.623
  150    H    TYR  24           H        TYR  24  31.159   4.391   3.633
  151    HA   TYR  24           HA       TYR  24  32.081   3.890   1.035
  152   1HB   TYR  24          2HB       TYR  24  32.047   6.520   2.513
  153   2HB   TYR  24          1HB       TYR  24  32.098   6.308   0.770
  154    HD1  TYR  24           HD2      TYR  24  30.145   5.004  -0.311
  155    HD2  TYR  24           HD1      TYR  24  29.955   6.698   3.618
  156    HE1  TYR  24           HE2      TYR  24  27.686   4.947  -0.393
  157    HE2  TYR  24           HE1      TYR  24  27.502   6.632   3.518
  158    HH   TYR  24           HH       TYR  24  25.786   5.857   0.597
  159    H    ALA  25           H        ALA  25  33.794   4.571   3.963
  160    HA   ALA  25           HA       ALA  25  36.223   5.489   2.732
  161   1HB   ALA  25          1HB       ALA  25  35.184   5.144   5.406
  162   2HB   ALA  25          3HB       ALA  25  36.832   4.524   5.283
  163   3HB   ALA  25          2HB       ALA  25  36.481   6.196   4.835
  164    H    TRP  26           H        TRP  26  34.799   2.430   3.016
  165    HA   TRP  26           HA       TRP  26  37.233   0.914   3.324
  166   1HB   TRP  26          2HB       TRP  26  34.395   0.375   3.271
  167   2HB   TRP  26          1HB       TRP  26  35.266  -0.748   2.240
  168    HD1  TRP  26          1HD       TRP  26  34.601   0.047   5.880
  169    HE1  TRP  26          1HE       TRP  26  35.812  -1.665   7.334
  170    HE3  TRP  26          3HE       TRP  26  37.503  -2.241   2.336
  171    HZ2  TRP  26          2HZ       TRP  26  37.724  -3.703   7.072
  172    HZ3  TRP  26          3HZ       TRP  26  39.008  -4.069   3.010
  173    HH2  TRP  26           HH2      TRP  26  39.120  -4.796   5.357
  174    H    ALA  27           H        ALA  27  34.981   1.591   0.657
  175    HA   ALA  27           HA       ALA  27  36.206   0.145  -1.364
  176   1HB   ALA  27          3HB       ALA  27  34.332   2.362  -1.184
  177   2HB   ALA  27          2HB       ALA  27  35.360   2.475  -2.614
  178   3HB   ALA  27          1HB       ALA  27  34.389   1.028  -2.337
  179    H    MET  28           H        MET  28  36.812   3.531  -0.453
  180    HA   MET  28           HA       MET  28  38.817   4.099  -2.288
  181   1HB   MET  28          2HB       MET  28  37.815   5.262   0.187
  182   2HB   MET  28          1HB       MET  28  39.548   5.471   0.030
  183   1HG   MET  28          2HG       MET  28  38.046   7.320  -0.928
  184   2HG   MET  28          1HG       MET  28  39.340   6.733  -1.960
  185   1HE   MET  28          2HE       MET  28  38.259   7.903  -3.895
  186   2HE   MET  28          1HE       MET  28  38.765   6.346  -4.549
  187   3HE   MET  28          3HE       MET  28  37.183   7.015  -4.972
  188    H    VAL  29           H        VAL  29  39.091   2.722   0.973
  189    HA   VAL  29           HA       VAL  29  41.852   2.615   1.207
  190    HB   VAL  29           HB       VAL  29  39.740   0.711   2.211
  191   1HG1  VAL  29          3HG1      VAL  29  42.622   0.988   3.060
  192   2HG1  VAL  29          2HG1      VAL  29  41.402   0.011   3.880
  193   3HG1  VAL  29          1HG1      VAL  29  41.902  -0.396   2.237
  194   1HG2  VAL  29          3HG2      VAL  29  40.040   3.319   2.843
  195   2HG2  VAL  29          2HG2      VAL  29  39.437   2.102   3.970
  196   3HG2  VAL  29          1HG2      VAL  29  41.133   2.584   4.017
  197    H    VAL  30           H        VAL  30  39.648   0.450  -0.499
  198    HA   VAL  30           HA       VAL  30  41.465  -1.620  -1.051
  199    HB   VAL  30           HB       VAL  30  39.046  -0.660  -2.571
  200   1HG1  VAL  30          1HG1      VAL  30  40.939  -2.843  -3.035
  201   2HG1  VAL  30          3HG1      VAL  30  39.244  -3.330  -3.042
  202   3HG1  VAL  30          2HG1      VAL  30  39.803  -2.068  -4.140
  203   1HG2  VAL  30          1HG2      VAL  30  39.451  -2.502  -0.251
  204   2HG2  VAL  30          3HG2      VAL  30  38.219  -1.264  -0.499
  205   3HG2  VAL  30          2HG2      VAL  30  38.122  -2.793  -1.375
  206    H    VAL  31           H        VAL  31  41.041   1.542  -2.410
  207    HA   VAL  31           HA       VAL  31  42.538   0.960  -4.814
  208    HB   VAL  31           HB       VAL  31  41.388   3.486  -3.653
  209   1HG1  VAL  31          2HG1      VAL  31  43.359   4.023  -4.971
  210   2HG1  VAL  31          1HG1      VAL  31  42.732   3.077  -6.321
  211   3HG1  VAL  31          3HG1      VAL  31  41.892   4.540  -5.804
  212   1HG2  VAL  31          1HG2      VAL  31  40.442   1.415  -5.543
  213   2HG2  VAL  31          3HG2      VAL  31  39.529   2.450  -4.442
  214   3HG2  VAL  31          2HG2      VAL  31  40.098   3.090  -5.986
  215    H    ILE  32           H        ILE  32  43.058   2.203  -1.644
  216    HA   ILE  32           HA       ILE  32  45.704   3.262  -2.267
  217    HB   ILE  32           HB       ILE  32  44.333   3.016   0.405
  218   1HG1  ILE  32          2HG1      ILE  32  44.329   5.298  -1.576
  219   2HG1  ILE  32          1HG1      ILE  32  42.942   4.326  -1.093
  220   1HG2  ILE  32          2HG2      ILE  32  46.857   3.392   0.264
  221   2HG2  ILE  32          1HG2      ILE  32  46.466   4.978  -0.403
  222   3HG2  ILE  32          3HG2      ILE  32  45.924   4.546   1.220
  223   1HD1  ILE  32          1HD1      ILE  32  43.454   5.120   1.300
  224   2HD1  ILE  32          3HD1      ILE  32  44.481   6.336   0.537
  225   3HD1  ILE  32          2HD1      ILE  32  42.751   6.295   0.187
  226    H    VAL  33           H        VAL  33  44.259   0.348  -1.129
  227    HA   VAL  33           HA       VAL  33  46.237  -0.739   0.482
  228    HB   VAL  33           HB       VAL  33  44.009  -1.728  -1.190
  229   1HG1  VAL  33          3HG1      VAL  33  45.738  -3.304  -1.859
  230   2HG1  VAL  33          2HG1      VAL  33  46.111  -3.633  -0.166
  231   3HG1  VAL  33          1HG1      VAL  33  44.539  -4.083  -0.827
  232   1HG2  VAL  33          3HG2      VAL  33  44.912  -2.141   1.655
  233   2HG2  VAL  33          2HG2      VAL  33  43.571  -1.146   1.080
  234   3HG2  VAL  33          1HG2      VAL  33  43.482  -2.905   0.959
  235    H    GLY  34           H        GLY  34  45.861  -0.964  -3.059
  236   1HA   GLY  34          2HA       GLY  34  48.227  -2.476  -3.489
  237   2HA   GLY  34          1HA       GLY  34  47.342  -1.568  -4.717
  238    H    ALA  35           H        ALA  35  47.575   0.956  -4.256
  239    HA   ALA  35           HA       ALA  35  50.106   1.766  -4.959
  240   1HB   ALA  35          2HB       ALA  35  47.698   3.036  -4.389
  241   2HB   ALA  35          1HB       ALA  35  48.838   3.745  -3.245
  242   3HB   ALA  35          3HB       ALA  35  49.174   3.807  -4.976
  243    H    THR  36           H        THR  36  48.884   0.990  -1.809
  244    HA   THR  36           HA       THR  36  50.983   2.169  -0.270
  245    HB   THR  36           HB       THR  36  48.883   0.083   0.278
  246    HG1  THR  36           HG1      THR  36  47.853   1.729   1.217
  247   1HG2  THR  36          2HG2      THR  36  51.088   1.058   2.062
  248   2HG2  THR  36          1HG2      THR  36  49.544   0.522   2.729
  249   3HG2  THR  36          3HG2      THR  36  50.531  -0.595   1.783
  250    H    ILE  37           H        ILE  37  50.323  -1.114  -1.462
  251    HA   ILE  37           HA       ILE  37  52.498  -2.436  -0.317
  252    HB   ILE  37           HB       ILE  37  51.089  -2.909  -2.937
  253   1HG1  ILE  37          2HG1      ILE  37  50.778  -4.167  -0.227
  254   2HG1  ILE  37          1HG1      ILE  37  49.648  -3.058  -0.989
  255   1HG2  ILE  37          1HG2      ILE  37  53.319  -3.964  -2.923
  256   2HG2  ILE  37          3HG2      ILE  37  52.887  -4.806  -1.433
  257   3HG2  ILE  37          2HG2      ILE  37  52.010  -5.147  -2.926
  258   1HD1  ILE  37          1HD1      ILE  37  49.586  -4.793  -2.912
  259   2HD1  ILE  37          3HD1      ILE  37  50.291  -5.899  -1.733
  260   3HD1  ILE  37          2HD1      ILE  37  48.716  -5.167  -1.422
  261    H    GLY  38           H        GLY  38  52.258  -0.764  -3.441
  262   1HA   GLY  38          2HA       GLY  38  54.741  -1.290  -4.522
  263   2HA   GLY  38          1HA       GLY  38  53.869   0.226  -4.753
  264    H    ILE  39           H        ILE  39  54.050   1.793  -2.940
  265    HA   ILE  39           HA       ILE  39  56.626   2.665  -2.563
  266    HB   ILE  39           HB       ILE  39  54.261   3.067  -0.730
  267   1HG1  ILE  39          2HG1      ILE  39  54.966   5.251  -2.511
  268   2HG1  ILE  39          1HG1      ILE  39  54.549   3.794  -3.402
  269   1HG2  ILE  39          1HG2      ILE  39  56.966   4.263  -0.860
  270   2HG2  ILE  39          3HG2      ILE  39  55.613   5.337  -0.512
  271   3HG2  ILE  39          2HG2      ILE  39  55.930   3.950   0.533
  272   1HD1  ILE  39          1HD1      ILE  39  52.640   4.010  -1.345
  273   2HD1  ILE  39          3HD1      ILE  39  52.815   5.630  -2.024
  274   3HD1  ILE  39          2HD1      ILE  39  52.391   4.275  -3.072
  275    H    LYS  40           H        LYS  40  54.752   0.522  -0.438
  276    HA   LYS  40           HA       LYS  40  56.497   0.389   1.724
  277   1HB   LYS  40          2HB       LYS  40  54.120  -0.647   1.280
  278   2HB   LYS  40          1HB       LYS  40  55.059  -2.047   0.775
  279   1HG   LYS  40          2HG       LYS  40  55.065  -2.599   2.948
  280   2HG   LYS  40          1HG       LYS  40  56.273  -1.329   3.131
  281   1HD   LYS  40          2HD       LYS  40  53.375  -0.614   3.190
  282   2HD   LYS  40          1HD       LYS  40  54.096  -1.342   4.622
  283   1HE   LYS  40          2HE       LYS  40  54.735   1.292   3.303
  284   2HE   LYS  40          1HE       LYS  40  54.319   0.976   4.986
  285   1HZ   LYS  40          3HZ       LYS  40  56.497  -0.392   4.950
  286   2HZ   LYS  40          2HZ       LYS  40  56.878   0.577   3.609
  287   3HZ   LYS  40          1HZ       LYS  40  56.561   1.294   5.115
  288    H    LEU  41           H        LEU  41  56.334  -1.657  -1.168
  289    HA   LEU  41           HA       LEU  41  58.414  -3.411  -0.618
  290   1HB   LEU  41          2HB       LEU  41  57.246  -2.319  -3.152
  291   2HB   LEU  41          1HB       LEU  41  58.618  -3.415  -3.208
  292    HG   LEU  41           HG       LEU  41  55.919  -3.951  -1.962
  293   1HD1  LEU  41          2HD1      LEU  41  57.069  -4.456  -4.587
  294   2HD1  LEU  41          1HD1      LEU  41  56.449  -5.919  -3.820
  295   3HD1  LEU  41          3HD1      LEU  41  55.389  -4.529  -4.054
  296   1HD2  LEU  41          2HD2      LEU  41  58.511  -5.387  -1.731
  297   2HD2  LEU  41          1HD2      LEU  41  57.173  -5.264  -0.583
  298   3HD2  LEU  41          3HD2      LEU  41  57.060  -6.366  -1.956
  299    H    PHE  42           H        PHE  42  58.503  -0.099  -1.666
  300    HA   PHE  42           HA       PHE  42  61.220  -0.086  -2.564
  301   1HB   PHE  42          2HB       PHE  42  59.213   1.558  -3.016
  302   2HB   PHE  42          1HB       PHE  42  59.855   2.385  -1.603
  303    HD1  PHE  42           HD1      PHE  42  60.909   0.967  -4.885
  304    HD2  PHE  42           HD2      PHE  42  61.583   3.916  -1.873
  305    HE1  PHE  42           HE1      PHE  42  62.609   2.038  -6.313
  306    HE2  PHE  42           HE2      PHE  42  63.283   4.987  -3.302
  307    HZ   PHE  42           HZ       PHE  42  63.795   4.048  -5.522
  308    H    LYS  43           H        LYS  43  59.653   1.230   0.363
  309    HA   LYS  43           HA       LYS  43  61.898   2.163   1.676
  310   1HB   LYS  43          2HB       LYS  43  59.314   1.030   2.683
  311   2HB   LYS  43          1HB       LYS  43  60.522   1.744   3.755
  312   1HG   LYS  43          2HG       LYS  43  60.012   3.387   1.405
  313   2HG   LYS  43          1HG       LYS  43  58.553   3.096   2.329
  314   1HD   LYS  43          2HD       LYS  43  59.604   3.963   4.363
  315   2HD   LYS  43          1HD       LYS  43  61.134   4.154   3.513
  316   1HE   LYS  43          2HE       LYS  43  58.777   5.905   3.571
  317   2HE   LYS  43          1HE       LYS  43  60.465   6.287   3.242
  318   1HZ   LYS  43          3HZ       LYS  43  60.168   5.409   0.995
  319   2HZ   LYS  43          2HZ       LYS  43  58.529   5.101   1.324
  320   3HZ   LYS  43          1HZ       LYS  43  59.110   6.697   1.309
  321    H    LYS  44           H        LYS  44  61.000  -1.127   1.115
  322    HA   LYS  44           HA       LYS  44  62.395  -2.255   3.343
  323   1HB   LYS  44          2HB       LYS  44  60.704  -3.146   1.204
  324   2HB   LYS  44          1HB       LYS  44  62.175  -4.089   1.150
  325   1HG   LYS  44          2HG       LYS  44  61.641  -5.278   3.008
  326   2HG   LYS  44          1HG       LYS  44  60.966  -3.873   3.843
  327   1HD   LYS  44          2HD       LYS  44  58.901  -4.036   2.693
  328   2HD   LYS  44          1HD       LYS  44  59.546  -5.189   1.527
  329   1HE   LYS  44          2HE       LYS  44  58.062  -5.855   3.745
  330   2HE   LYS  44          1HE       LYS  44  59.175  -6.969   2.955
  331   1HZ   LYS  44          2HZ       LYS  44  59.850  -5.186   5.236
  332   2HZ   LYS  44          1HZ       LYS  44  59.510  -6.846   5.353
  333   3HZ   LYS  44          3HZ       LYS  44  60.886  -6.320   4.512
  334    H    PHE  45           H        PHE  45  63.069  -2.319  -0.159
  335    HA   PHE  45           HA       PHE  45  65.685  -3.313   0.040
  336   1HB   PHE  45          2HB       PHE  45  64.064  -1.914  -2.023
  337   2HB   PHE  45          1HB       PHE  45  65.791  -2.007  -2.264
  338    HD1  PHE  45           HD1      PHE  45  66.918  -4.286  -2.330
  339    HD2  PHE  45           HD2      PHE  45  62.651  -3.825  -2.399
  340    HE1  PHE  45           HE1      PHE  45  66.671  -6.576  -3.182
  341    HE2  PHE  45           HE2      PHE  45  62.431  -6.117  -3.252
  342    HZ   PHE  45           HZ       PHE  45  64.433  -7.493  -3.644
  343    H    THR  46           H        THR  46  64.373  -0.119   0.396
  344    HA   THR  46           HA       THR  46  66.982   1.155   0.238
  345    HB   THR  46           HB       THR  46  65.761   3.199   0.375
  346    HG1  THR  46           HG1      THR  46  63.703   1.532   1.289
  347   1HG2  THR  46          3HG2      THR  46  65.316   1.248  -1.606
  348   2HG2  THR  46          2HG2      THR  46  63.761   2.035  -1.320
  349   3HG2  THR  46          1HG2      THR  46  65.170   3.000  -1.766
  350    H    SER  47           H        SER  47  65.573  -0.625   2.550
  351    HA   SER  47           HA       SER  47  66.012   1.163   4.808
  352   1HB   SER  47          2HB       SER  47  64.102  -0.319   4.916
  353   2HB   SER  47          1HB       SER  47  65.130  -1.722   4.644
  354    HG   SER  47           HG       SER  47  66.128  -1.292   6.651
  355    H    LYS  48           H        LYS  48  67.555  -1.523   3.181
  356    HA   LYS  48           HA       LYS  48  69.325  -2.534   4.966
  357   1HB   LYS  48          2HB       LYS  48  69.561  -1.903   2.053
  358   2HB   LYS  48          1HB       LYS  48  70.970  -2.504   2.918
  359   1HG   LYS  48          2HG       LYS  48  69.665  -4.500   3.609
  360   2HG   LYS  48          1HG       LYS  48  68.280  -3.885   2.702
  361   1HD   LYS  48          2HD       LYS  48  70.976  -4.653   1.591
  362   2HD   LYS  48          1HD       LYS  48  69.467  -5.539   1.390
  363   1HE   LYS  48          2HE       LYS  48  68.563  -3.382   0.320
  364   2HE   LYS  48          1HE       LYS  48  70.247  -2.875   0.225
  365   1HZ   LYS  48          3HZ       LYS  48  69.866  -5.531  -0.742
  366   2HZ   LYS  48          2HZ       LYS  48  68.910  -4.411  -1.589
  367   3HZ   LYS  48          1HZ       LYS  48  70.593  -4.200  -1.502
  368    H    ALA  49           H        ALA  49  70.084   0.290   2.919
  369    HA   ALA  49           HA       ALA  49  71.591   1.986   3.169
  370   1HB   ALA  49          3HB       ALA  49  70.244   1.661   5.761
  371   2HB   ALA  49          2HB       ALA  49  71.777   2.532   5.833
  372   3HB   ALA  49          1HB       ALA  49  70.482   3.109   4.782
  373    H    SER  50           H        SER  50  72.385   0.666   6.338
  374    HA   SER  50           HA       SER  50  75.147   0.744   5.964
  375   1HB   SER  50          2HB       SER  50  73.920   0.558   8.152
  376   2HB   SER  50          1HB       SER  50  73.677  -1.149   7.797
  377    HG   SER  50           HG       SER  50  76.159   0.225   8.093
   
  No H/Q in entry =         377
  Start of MODEL   17
    1   1H    ALA   1          2H        ALA   1  19.037 -30.797  19.342
    2   2H    ALA   1          1H        ALA   1  18.544 -30.441  20.928
    3   3H    ALA   1          3H        ALA   1  17.961 -31.832  20.152
    4    HA   ALA   1           HA       ALA   1  16.196 -30.364  20.009
    5   1HB   ALA   1          2HB       ALA   1  17.511 -28.356  20.730
    6   2HB   ALA   1          1HB       ALA   1  18.158 -28.238  19.091
    7   3HB   ALA   1          3HB       ALA   1  16.430 -28.015  19.373
    8    H    GLU   2           H        GLU   2  16.203 -32.172  18.417
    9    HA   GLU   2           HA       GLU   2  16.130 -33.050  16.282
   10   1HB   GLU   2          2HB       GLU   2  14.812 -31.543  14.724
   11   2HB   GLU   2          1HB       GLU   2  14.047 -31.935  16.261
   12   1HG   GLU   2          2HG       GLU   2  14.694 -29.779  17.178
   13   2HG   GLU   2          1HG       GLU   2  15.580 -29.388  15.703
   14    H    GLY   3           H        GLY   3  18.220 -33.304  15.604
   15   1HA   GLY   3          2HA       GLY   3  20.051 -33.019  14.257
   16   2HA   GLY   3          1HA       GLY   3  19.091 -31.847  13.359
   17    H    ASP   4           H        ASP   4  21.967 -31.986  14.544
   18    HA   ASP   4           HA       ASP   4  22.138 -29.176  15.155
   19   1HB   ASP   4          2HB       ASP   4  21.559 -30.614  17.327
   20   2HB   ASP   4          1HB       ASP   4  23.304 -30.870  17.302
   21    H    ASP   5           H        ASP   5  23.474 -29.274  13.292
   22    HA   ASP   5           HA       ASP   5  26.226 -29.572  13.835
   23   1HB   ASP   5          2HB       ASP   5  25.326 -32.002  13.497
   24   2HB   ASP   5          1HB       ASP   5  25.333 -31.562  11.788
   25    HA   PRO   6           HA       PRO   6  25.163 -26.991  10.178
   26   1HB   PRO   6          2HB       PRO   6  25.944 -24.608  11.191
   27   2HB   PRO   6          1HB       PRO   6  24.325 -25.283  11.432
   28   1HG   PRO   6          2HG       PRO   6  26.532 -25.004  13.343
   29   2HG   PRO   6          1HG       PRO   6  24.797 -25.192  13.640
   30   1HD   PRO   6          2HD       PRO   6  26.829 -27.192  13.814
   31   2HD   PRO   6          1HD       PRO   6  25.083 -27.386  14.062
   32    H    ALA   7           H        ALA   7  27.993 -27.220  12.205
   33    HA   ALA   7           HA       ALA   7  30.240 -27.158  11.759
   34   1HB   ALA   7          3HB       ALA   7  29.166 -27.622   8.977
   35   2HB   ALA   7          2HB       ALA   7  30.892 -27.570   9.343
   36   3HB   ALA   7          1HB       ALA   7  29.870 -28.806  10.081
   37    H    LYS   8           H        LYS   8  28.728 -24.710  11.911
   38    HA   LYS   8           HA       LYS   8  28.703 -22.492  11.270
   39   1HB   LYS   8          2HB       LYS   8  31.648 -22.901  11.482
   40   2HB   LYS   8          1HB       LYS   8  30.673 -21.522  11.915
   41   1HG   LYS   8          2HG       LYS   8  29.947 -22.441  13.912
   42   2HG   LYS   8          1HG       LYS   8  30.129 -24.087  13.312
   43   1HD   LYS   8          2HD       LYS   8  31.803 -23.189  15.106
   44   2HD   LYS   8          1HD       LYS   8  32.389 -24.187  13.785
   45   1HE   LYS   8          2HE       LYS   8  33.720 -22.054  14.389
   46   2HE   LYS   8          1HE       LYS   8  33.387 -22.363  12.685
   47   1HZ   LYS   8          3HZ       LYS   8  31.296 -20.869  13.933
   48   2HZ   LYS   8          2HZ       LYS   8  32.796 -20.087  14.081
   49   3HZ   LYS   8          1HZ       LYS   8  32.203 -20.506  12.545
   50    H    ALA   9           H        ALA   9  28.684 -24.074   9.006
   51    HA   ALA   9           HA       ALA   9  30.555 -22.944   7.083
   52   1HB   ALA   9          3HB       ALA   9  28.943 -25.316   7.245
   53   2HB   ALA   9          2HB       ALA   9  28.592 -24.457   5.744
   54   3HB   ALA   9          1HB       ALA   9  30.248 -24.936   6.121
   55    H    ALA  10           H        ALA  10  27.011 -23.354   7.073
   56    HA   ALA  10           HA       ALA  10  26.539 -21.344   5.148
   57   1HB   ALA  10          1HB       ALA  10  24.882 -22.939   7.024
   58   2HB   ALA  10          3HB       ALA  10  24.164 -21.470   6.359
   59   3HB   ALA  10          2HB       ALA  10  24.739 -22.741   5.277
   60    H    PHE  11           H        PHE  11  26.268 -21.307   8.690
   61    HA   PHE  11           HA       PHE  11  25.266 -18.777   9.109
   62   1HB   PHE  11          2HB       PHE  11  26.168 -20.708  10.735
   63   2HB   PHE  11          1HB       PHE  11  27.513 -19.585  10.859
   64    HD1  PHE  11           HD1      PHE  11  26.751 -17.038  11.134
   65    HD2  PHE  11           HD2      PHE  11  24.438 -20.442  12.315
   66    HE1  PHE  11           HE1      PHE  11  25.498 -15.644  12.730
   67    HE2  PHE  11           HE2      PHE  11  23.195 -19.038  13.903
   68    HZ   PHE  11           HZ       PHE  11  23.721 -16.642  14.113
   69    H    ASN  12           H        ASN  12  28.623 -19.700   8.460
   70    HA   ASN  12           HA       ASN  12  29.679 -17.057   8.731
   71   1HB   ASN  12          2HB       ASN  12  30.861 -19.418   8.757
   72   2HB   ASN  12          1HB       ASN  12  31.010 -19.116   7.024
   73   1HD2  ASN  12          2HD2      ASN  12  34.041 -17.723   8.519
   74   2HD2  ASN  12          1HD2      ASN  12  33.323 -19.270   8.244
   75    H    SER  13           H        SER  13  28.747 -19.071   5.955
   76    HA   SER  13           HA       SER  13  29.480 -17.394   3.872
   77   1HB   SER  13          2HB       SER  13  26.886 -18.630   3.416
   78   2HB   SER  13          1HB       SER  13  28.427 -18.917   2.611
   79    HG   SER  13           HG       SER  13  28.073 -20.791   3.649
   80    H    LEU  14           H        LEU  14  26.721 -17.215   6.029
   81    HA   LEU  14           HA       LEU  14  25.203 -15.307   4.603
   82   1HB   LEU  14          2HB       LEU  14  24.299 -16.640   6.464
   83   2HB   LEU  14          1HB       LEU  14  25.368 -15.788   7.575
   84    HG   LEU  14           HG       LEU  14  24.223 -13.639   6.589
   85   1HD1  LEU  14          1HD1      LEU  14  22.978 -15.069   4.854
   86   2HD1  LEU  14          3HD1      LEU  14  21.921 -15.544   6.186
   87   3HD1  LEU  14          2HD1      LEU  14  22.041 -13.848   5.716
   88   1HD2  LEU  14          2HD2      LEU  14  22.914 -15.500   8.584
   89   2HD2  LEU  14          1HD2      LEU  14  23.914 -14.075   8.906
   90   3HD2  LEU  14          3HD2      LEU  14  22.292 -13.888   8.239
   91    H    GLN  15           H        GLN  15  27.892 -15.054   6.824
   92    HA   GLN  15           HA       GLN  15  27.770 -12.281   7.349
   93   1HB   GLN  15          2HB       GLN  15  29.121 -13.831   8.674
   94   2HB   GLN  15          1HB       GLN  15  30.157 -14.132   7.281
   95   1HG   GLN  15          2HG       GLN  15  31.369 -12.537   8.470
   96   2HG   GLN  15          1HG       GLN  15  30.501 -11.550   7.294
   97   1HE2  GLN  15          2HD2      GLN  15  30.167 -10.308  10.884
   98   2HE2  GLN  15          1HD2      GLN  15  31.527 -10.896   9.996
   99    H    ALA  16           H        ALA  16  29.219 -14.159   4.756
  100    HA   ALA  16           HA       ALA  16  30.290 -11.726   3.509
  101   1HB   ALA  16          2HB       ALA  16  30.782 -14.652   3.210
  102   2HB   ALA  16          1HB       ALA  16  31.110 -13.592   1.837
  103   3HB   ALA  16          3HB       ALA  16  31.939 -13.328   3.372
  104    H    SER  17           H        SER  17  27.379 -12.547   3.654
  105    HA   SER  17           HA       SER  17  26.797 -12.812   0.777
  106   1HB   SER  17          2HB       SER  17  24.648 -13.603   1.383
  107   2HB   SER  17          1HB       SER  17  25.782 -14.412   2.458
  108    HG   SER  17           HG       SER  17  24.792 -13.477   4.079
  109    H    ALA  18           H        ALA  18  26.048 -10.869   3.637
  110    HA   ALA  18           HA       ALA  18  24.545  -8.938   2.062
  111   1HB   ALA  18          3HB       ALA  18  24.287  -9.764   4.623
  112   2HB   ALA  18          2HB       ALA  18  25.260  -8.311   4.858
  113   3HB   ALA  18          1HB       ALA  18  23.702  -8.206   4.035
  114    H    THR  19           H        THR  19  27.769  -9.400   3.190
  115    HA   THR  19           HA       THR  19  28.433  -6.568   2.775
  116    HB   THR  19           HB       THR  19  30.589  -7.121   3.783
  117    HG1  THR  19           HG1      THR  19  29.621  -9.721   4.290
  118   1HG2  THR  19          1HG2      THR  19  28.116  -7.981   5.278
  119   2HG2  THR  19          3HG2      THR  19  29.704  -7.949   6.047
  120   3HG2  THR  19          2HG2      THR  19  29.005  -6.461   5.406
  121    H    GLU  20           H        GLU  20  27.834  -8.646   0.642
  122    HA   GLU  20           HA       GLU  20  30.376  -8.863  -0.741
  123   1HB   GLU  20          2HB       GLU  20  28.250 -10.517  -0.588
  124   2HB   GLU  20          1HB       GLU  20  27.876  -9.661  -2.080
  125   1HG   GLU  20          2HG       GLU  20  29.174 -11.717  -2.481
  126   2HG   GLU  20          1HG       GLU  20  30.030 -10.273  -3.014
  127    H    TYR  21           H        TYR  21  27.745  -6.745  -0.595
  128    HA   TYR  21           HA       TYR  21  28.314  -5.640  -3.262
  129   1HB   TYR  21          2HB       TYR  21  25.946  -5.594  -1.457
  130   2HB   TYR  21          1HB       TYR  21  26.185  -4.245  -2.558
  131    HD1  TYR  21           HD2      TYR  21  26.240  -4.647  -5.017
  132    HD2  TYR  21           HD1      TYR  21  25.244  -7.741  -2.242
  133    HE1  TYR  21           HE2      TYR  21  25.268  -5.981  -6.845
  134    HE2  TYR  21           HE1      TYR  21  24.277  -9.067  -4.077
  135    HH   TYR  21           HH       TYR  21  24.767  -8.335  -7.345
  136    H    ILE  22           H        ILE  22  28.664  -5.013   0.118
  137    HA   ILE  22           HA       ILE  22  29.075  -2.155  -0.218
  138    HB   ILE  22           HB       ILE  22  29.395  -4.031   2.125
  139   1HG1  ILE  22          2HG1      ILE  22  27.057  -3.378   1.229
  140   2HG1  ILE  22          1HG1      ILE  22  27.343  -3.190   2.965
  141   1HG2  ILE  22          3HG2      ILE  22  30.321  -1.251   1.821
  142   2HG2  ILE  22          2HG2      ILE  22  29.346  -1.532   3.262
  143   3HG2  ILE  22          1HG2      ILE  22  30.808  -2.483   2.989
  144   1HD1  ILE  22          1HD1      ILE  22  28.082  -0.722   1.818
  145   2HD1  ILE  22          3HD1      ILE  22  26.585  -1.199   1.014
  146   3HD1  ILE  22          2HD1      ILE  22  26.646  -1.080   2.772
  147    H    GLY  23           H        GLY  23  30.945  -4.902  -0.764
  148   1HA   GLY  23          2HA       GLY  23  33.487  -4.001   0.153
  149   2HA   GLY  23          1HA       GLY  23  33.200  -5.282  -1.023
  150    H    TYR  24           H        TYR  24  31.564  -3.371  -2.670
  151    HA   TYR  24           HA       TYR  24  33.523  -2.577  -4.500
  152   1HB   TYR  24          2HB       TYR  24  30.655  -1.884  -4.075
  153   2HB   TYR  24          1HB       TYR  24  31.592  -0.915  -5.197
  154    HD1  TYR  24           HD1      TYR  24  32.664  -2.004  -7.187
  155    HD2  TYR  24           HD2      TYR  24  29.956  -4.122  -4.629
  156    HE1  TYR  24           HE1      TYR  24  32.355  -3.724  -8.919
  157    HE2  TYR  24           HE2      TYR  24  29.664  -5.829  -6.374
  158    HH   TYR  24           HH       TYR  24  29.889  -6.034  -8.813
  159    H    ALA  25           H        ALA  25  32.355  -1.058  -1.622
  160    HA   ALA  25           HA       ALA  25  33.470   1.548  -2.266
  161   1HB   ALA  25          2HB       ALA  25  32.062   0.406   0.141
  162   2HB   ALA  25          1HB       ALA  25  32.776   2.020   0.142
  163   3HB   ALA  25          3HB       ALA  25  31.478   1.630  -0.989
  164    H    TRP  26           H        TRP  26  34.505  -1.388  -0.820
  165    HA   TRP  26           HA       TRP  26  36.444  -0.402   0.990
  166   1HB   TRP  26          2HB       TRP  26  35.625  -2.965  -0.061
  167   2HB   TRP  26          1HB       TRP  26  37.373  -2.851   0.001
  168    HD1  TRP  26          1HD       TRP  26  34.317  -3.181   2.212
  169    HE1  TRP  26          1HE       TRP  26  35.066  -3.442   4.633
  170    HE3  TRP  26          3HE       TRP  26  39.298  -2.140   1.695
  171    HZ2  TRP  26          2HZ       TRP  26  37.425  -3.252   6.156
  172    HZ3  TRP  26          3HZ       TRP  26  40.751  -2.201   3.683
  173    HH2  TRP  26           HH2      TRP  26  39.827  -2.752   5.895
  174    H    ALA  27           H        ALA  27  36.432  -0.928  -2.458
  175    HA   ALA  27           HA       ALA  27  39.116  -1.046  -3.077
  176   1HB   ALA  27          2HB       ALA  27  36.682  -0.078  -4.448
  177   2HB   ALA  27          1HB       ALA  27  38.213   0.524  -5.088
  178   3HB   ALA  27          3HB       ALA  27  37.917  -1.213  -4.999
  179    H    MET  28           H        MET  28  37.152   1.900  -2.667
  180    HA   MET  28           HA       MET  28  39.066   3.825  -3.123
  181   1HB   MET  28          2HB       MET  28  36.500   3.693  -1.787
  182   2HB   MET  28          1HB       MET  28  37.587   4.745  -0.903
  183   1HG   MET  28          2HG       MET  28  36.135   5.834  -2.700
  184   2HG   MET  28          1HG       MET  28  37.846   6.217  -2.741
  185   1HE   MET  28          1HE       MET  28  37.154   7.244  -4.796
  186   2HE   MET  28          3HE       MET  28  37.673   6.468  -6.300
  187   3HE   MET  28          2HE       MET  28  35.967   6.481  -5.853
  188    H    VAL  29           H        VAL  29  38.310   2.250  -0.025
  189    HA   VAL  29           HA       VAL  29  40.292   3.526   1.507
  190    HB   VAL  29           HB       VAL  29  39.067   0.794   1.865
  191   1HG1  VAL  29          3HG1      VAL  29  41.095   1.189   3.208
  192   2HG1  VAL  29          2HG1      VAL  29  40.342   2.634   3.886
  193   3HG1  VAL  29          1HG1      VAL  29  39.647   1.043   4.203
  194   1HG2  VAL  29          1HG2      VAL  29  38.014   3.503   2.194
  195   2HG2  VAL  29          3HG2      VAL  29  37.163   1.961   2.095
  196   3HG2  VAL  29          2HG2      VAL  29  37.840   2.497   3.634
  197    H    VAL  30           H        VAL  30  40.325   0.588  -0.444
  198    HA   VAL  30           HA       VAL  30  42.837  -0.384   0.373
  199    HB   VAL  30           HB       VAL  30  40.814  -1.208  -1.321
  200   1HG1  VAL  30          2HG1      VAL  30  41.935  -0.009  -3.201
  201   2HG1  VAL  30          1HG1      VAL  30  43.329  -1.067  -2.975
  202   3HG1  VAL  30          3HG1      VAL  30  41.772  -1.750  -3.447
  203   1HG2  VAL  30          1HG2      VAL  30  43.533  -2.394  -0.791
  204   2HG2  VAL  30          3HG2      VAL  30  42.047  -2.665   0.121
  205   3HG2  VAL  30          2HG2      VAL  30  42.192  -3.271  -1.530
  206    H    VAL  31           H        VAL  31  41.893   2.056  -1.940
  207    HA   VAL  31           HA       VAL  31  44.442   2.331  -3.189
  208    HB   VAL  31           HB       VAL  31  42.058   4.168  -3.049
  209   1HG1  VAL  31          1HG1      VAL  31  44.704   4.493  -4.220
  210   2HG1  VAL  31          3HG1      VAL  31  43.395   4.725  -5.379
  211   3HG1  VAL  31          2HG1      VAL  31  43.447   5.690  -3.902
  212   1HG2  VAL  31          1HG2      VAL  31  41.916   1.801  -4.126
  213   2HG2  VAL  31          3HG2      VAL  31  41.283   3.191  -5.010
  214   3HG2  VAL  31          2HG2      VAL  31  42.866   2.527  -5.425
  215    H    ILE  32           H        ILE  32  43.207   3.277  -0.179
  216    HA   ILE  32           HA       ILE  32  45.004   5.569   0.097
  217    HB   ILE  32           HB       ILE  32  42.954   4.398   1.972
  218   1HG1  ILE  32          2HG1      ILE  32  42.886   6.878   0.247
  219   2HG1  ILE  32          1HG1      ILE  32  41.992   5.391  -0.053
  220   1HG2  ILE  32          2HG2      ILE  32  44.784   5.560   3.152
  221   2HG2  ILE  32          1HG2      ILE  32  44.468   7.002   2.184
  222   3HG2  ILE  32          3HG2      ILE  32  43.241   6.405   3.303
  223   1HD1  ILE  32          3HD1      ILE  32  41.129   5.841   2.425
  224   2HD1  ILE  32          2HD1      ILE  32  41.527   7.507   1.995
  225   3HD1  ILE  32          1HD1      ILE  32  40.361   6.599   1.028
  226    H    VAL  33           H        VAL  33  44.490   2.323   1.421
  227    HA   VAL  33           HA       VAL  33  46.801   2.539   3.161
  228    HB   VAL  33           HB       VAL  33  44.662   0.498   2.647
  229   1HG1  VAL  33          1HG1      VAL  33  47.157   0.097   4.282
  230   2HG1  VAL  33          3HG1      VAL  33  45.719  -0.921   4.390
  231   3HG1  VAL  33          2HG1      VAL  33  46.630  -0.835   2.880
  232   1HG2  VAL  33          1HG2      VAL  33  45.526   2.116   5.038
  233   2HG2  VAL  33          3HG2      VAL  33  44.017   2.244   4.132
  234   3HG2  VAL  33          2HG2      VAL  33  44.336   0.815   5.119
  235    H    GLY  34           H        GLY  34  45.835   0.993   0.143
  236   1HA   GLY  34          2HA       GLY  34  48.015  -0.754  -0.176
  237   2HA   GLY  34          1HA       GLY  34  47.049  -0.081  -1.491
  238    H    ALA  35           H        ALA  35  47.593   2.649  -1.051
  239    HA   ALA  35           HA       ALA  35  49.868   3.096  -2.568
  240   1HB   ALA  35          3HB       ALA  35  47.955   4.707  -1.879
  241   2HB   ALA  35          2HB       ALA  35  48.978   5.071  -0.487
  242   3HB   ALA  35          1HB       ALA  35  49.572   5.373  -2.121
  243    H    THR  36           H        THR  36  49.522   2.658   0.872
  244    HA   THR  36           HA       THR  36  52.177   3.511   1.569
  245    HB   THR  36           HB       THR  36  49.949   2.083   2.998
  246    HG1  THR  36           HG1      THR  36  49.896   4.372   2.703
  247   1HG2  THR  36          2HG2      THR  36  52.766   2.519   3.962
  248   2HG2  THR  36          1HG2      THR  36  51.406   2.389   5.080
  249   3HG2  THR  36          3HG2      THR  36  51.802   1.041   4.011
  250    H    ILE  37           H        ILE  37  50.573   0.377   1.086
  251    HA   ILE  37           HA       ILE  37  52.797  -1.249   1.717
  252    HB   ILE  37           HB       ILE  37  50.498  -1.800  -0.152
  253   1HG1  ILE  37          2HG1      ILE  37  50.846  -2.313   2.789
  254   2HG1  ILE  37          1HG1      ILE  37  49.701  -1.205   2.046
  255   1HG2  ILE  37          1HG2      ILE  37  52.504  -3.623   1.163
  256   2HG2  ILE  37          3HG2      ILE  37  50.998  -4.190   0.439
  257   3HG2  ILE  37          2HG2      ILE  37  52.217  -3.401  -0.564
  258   1HD1  ILE  37          2HD1      ILE  37  49.158  -3.614   0.792
  259   2HD1  ILE  37          1HD1      ILE  37  49.504  -4.091   2.456
  260   3HD1  ILE  37          3HD1      ILE  37  48.234  -2.912   2.121
  261    H    GLY  38           H        GLY  38  51.709   0.262  -1.271
  262   1HA   GLY  38          2HA       GLY  38  53.376  -0.971  -3.128
  263   2HA   GLY  38          1HA       GLY  38  52.789   0.687  -3.251
  264    H    ILE  39           H        ILE  39  53.944   2.215  -1.691
  265    HA   ILE  39           HA       ILE  39  56.598   2.482  -2.479
  266    HB   ILE  39           HB       ILE  39  55.217   3.604  -0.044
  267   1HG1  ILE  39          2HG1      ILE  39  55.646   5.377  -2.313
  268   2HG1  ILE  39          1HG1      ILE  39  54.624   4.006  -2.724
  269   1HG2  ILE  39          1HG2      ILE  39  57.834   4.165  -1.356
  270   2HG2  ILE  39          3HG2      ILE  39  56.958   5.469  -0.552
  271   3HG2  ILE  39          2HG2      ILE  39  57.442   4.037   0.360
  272   1HD1  ILE  39          2HD1      ILE  39  53.658   4.807  -0.256
  273   2HD1  ILE  39          1HD1      ILE  39  54.032   6.326  -1.070
  274   3HD1  ILE  39          3HD1      ILE  39  52.931   5.170  -1.822
  275    H    LYS  40           H        LYS  40  55.265   1.129   0.529
  276    HA   LYS  40           HA       LYS  40  57.626   0.729   1.921
  277   1HB   LYS  40          2HB       LYS  40  55.092   0.295   2.514
  278   2HB   LYS  40          1HB       LYS  40  55.488  -1.342   2.012
  279   1HG   LYS  40          2HG       LYS  40  56.191  -1.613   4.129
  280   2HG   LYS  40          1HG       LYS  40  57.606  -0.692   3.628
  281   1HD   LYS  40          2HD       LYS  40  55.145   0.748   4.532
  282   2HD   LYS  40          1HD       LYS  40  56.221   0.046   5.738
  283   1HE   LYS  40          2HE       LYS  40  56.778   2.242   3.748
  284   2HE   LYS  40          1HE       LYS  40  56.991   2.262   5.497
  285   1HZ   LYS  40          1HZ       LYS  40  58.656   0.324   4.899
  286   2HZ   LYS  40          3HZ       LYS  40  58.735   1.176   3.435
  287   3HZ   LYS  40          2HZ       LYS  40  59.121   1.957   4.892
  288    H    LEU  41           H        LEU  41  56.145  -1.178  -0.642
  289    HA   LEU  41           HA       LEU  41  57.852  -3.438  -0.447
  290   1HB   LEU  41          2HB       LEU  41  56.017  -2.332  -2.527
  291   2HB   LEU  41          1HB       LEU  41  57.128  -3.619  -2.975
  292    HG   LEU  41           HG       LEU  41  55.095  -3.704  -0.741
  293   1HD1  LEU  41          2HD1      LEU  41  55.053  -4.533  -3.562
  294   2HD1  LEU  41          1HD1      LEU  41  54.454  -5.735  -2.417
  295   3HD1  LEU  41          3HD1      LEU  41  53.724  -4.129  -2.474
  296   1HD2  LEU  41          1HD2      LEU  41  57.407  -5.414  -1.349
  297   2HD2  LEU  41          3HD2      LEU  41  56.479  -5.245   0.143
  298   3HD2  LEU  41          2HD2      LEU  41  55.888  -6.289  -1.152
  299    H    PHE  42           H        PHE  42  57.984  -0.497  -2.438
  300    HA   PHE  42           HA       PHE  42  60.171  -1.091  -4.035
  301   1HB   PHE  42          2HB       PHE  42  58.640   0.979  -4.025
  302   2HB   PHE  42          1HB       PHE  42  59.760   1.632  -2.837
  303    HD1  PHE  42           HD2      PHE  42  62.359   1.224  -3.620
  304    HD2  PHE  42           HD1      PHE  42  58.968   1.670  -6.182
  305    HE1  PHE  42           HE2      PHE  42  63.834   1.970  -5.446
  306    HE2  PHE  42           HE1      PHE  42  60.448   2.415  -8.006
  307    HZ   PHE  42           HZ       PHE  42  62.880   2.566  -7.639
  308    H    LYS  43           H        LYS  43  60.152   0.457  -0.835
  309    HA   LYS  43           HA       LYS  43  62.845   0.922  -0.506
  310   1HB   LYS  43          2HB       LYS  43  60.716   0.160   1.465
  311   2HB   LYS  43          1HB       LYS  43  62.343   0.647   1.949
  312   1HG   LYS  43          2HG       LYS  43  61.210   2.442  -0.043
  313   2HG   LYS  43          1HG       LYS  43  60.187   2.322   1.374
  314   1HD   LYS  43          2HD       LYS  43  61.978   3.011   2.843
  315   2HD   LYS  43          1HD       LYS  43  63.152   2.908   1.534
  316   1HE   LYS  43          2HE       LYS  43  61.296   5.079   2.242
  317   2HE   LYS  43          1HE       LYS  43  62.836   5.136   1.386
  318   1HZ   LYS  43          3HZ       LYS  43  61.698   4.349  -0.609
  319   2HZ   LYS  43          2HZ       LYS  43  60.217   4.344   0.224
  320   3HZ   LYS  43          1HZ       LYS  43  61.036   5.808  -0.050
  321    H    LYS  44           H        LYS  44  61.197  -2.133  -0.541
  322    HA   LYS  44           HA       LYS  44  63.475  -3.489   0.684
  323   1HB   LYS  44          2HB       LYS  44  61.548  -4.388   1.570
  324   2HB   LYS  44          1HB       LYS  44  60.644  -4.224   0.081
  325   1HG   LYS  44          2HG       LYS  44  61.112  -6.581   0.732
  326   2HG   LYS  44          1HG       LYS  44  61.697  -6.141  -0.880
  327   1HD   LYS  44          2HD       LYS  44  63.314  -7.559   0.664
  328   2HD   LYS  44          1HD       LYS  44  63.975  -6.157  -0.179
  329   1HE   LYS  44          2HE       LYS  44  64.800  -5.954   2.002
  330   2HE   LYS  44          1HE       LYS  44  63.429  -4.855   1.995
  331   1HZ   LYS  44          1HZ       LYS  44  62.327  -7.215   2.722
  332   2HZ   LYS  44          3HZ       LYS  44  63.837  -7.262   3.493
  333   3HZ   LYS  44          2HZ       LYS  44  62.776  -5.968   3.784
  334    H    PHE  45           H        PHE  45  61.442  -4.399  -2.114
  335    HA   PHE  45           HA       PHE  45  63.603  -5.707  -3.427
  336   1HB   PHE  45          2HB       PHE  45  60.776  -5.067  -4.078
  337   2HB   PHE  45          1HB       PHE  45  61.861  -5.381  -5.413
  338    HD1  PHE  45           HD2      PHE  45  63.307  -7.543  -5.305
  339    HD2  PHE  45           HD1      PHE  45  59.754  -6.923  -2.971
  340    HE1  PHE  45           HE2      PHE  45  63.084  -9.967  -4.969
  341    HE2  PHE  45           HE1      PHE  45  59.555  -9.349  -2.654
  342    HZ   PHE  45           HZ       PHE  45  61.215 -10.872  -3.649
  343    H    THR  46           H        THR  46  62.095  -2.548  -3.784
  344    HA   THR  46           HA       THR  46  62.586  -0.768  -5.153
  345    HB   THR  46           HB       THR  46  64.220  -0.377  -3.495
  346    HG1  THR  46           HG1      THR  46  65.552  -0.320  -6.001
  347   1HG2  THR  46          2HG2      THR  46  65.899  -2.473  -4.870
  348   2HG2  THR  46          1HG2      THR  46  66.464  -1.431  -3.565
  349   3HG2  THR  46          3HG2      THR  46  65.167  -2.590  -3.268
  350    H    SER  47           H        SER  47  62.138  -3.037  -6.690
  351    HA   SER  47           HA       SER  47  62.290  -3.676  -8.886
  352   1HB   SER  47          2HB       SER  47  62.860  -1.078  -9.002
  353   2HB   SER  47          1HB       SER  47  64.424  -1.709  -9.506
  354    HG   SER  47           HG       SER  47  63.139  -1.487 -11.336
  355    H    LYS  48           H        LYS  48  64.398  -4.395  -6.690
  356    HA   LYS  48           HA       LYS  48  66.860  -4.942  -7.802
  357   1HB   LYS  48          2HB       LYS  48  65.213  -6.342  -5.725
  358   2HB   LYS  48          1HB       LYS  48  66.753  -7.021  -6.239
  359   1HG   LYS  48          2HG       LYS  48  66.655  -4.140  -5.451
  360   2HG   LYS  48          1HG       LYS  48  66.613  -5.363  -4.189
  361   1HD   LYS  48          2HD       LYS  48  68.781  -5.900  -4.469
  362   2HD   LYS  48          1HD       LYS  48  68.656  -5.866  -6.225
  363   1HE   LYS  48          2HE       LYS  48  68.820  -3.393  -4.493
  364   2HE   LYS  48          1HE       LYS  48  70.211  -4.149  -5.264
  365   1HZ   LYS  48          1HZ       LYS  48  68.374  -3.861  -7.267
  366   2HZ   LYS  48          3HZ       LYS  48  68.236  -2.424  -6.379
  367   3HZ   LYS  48          2HZ       LYS  48  69.743  -2.890  -7.008
  368    H    ALA  49           H        ALA  49  64.018  -7.076  -7.765
  369    HA   ALA  49           HA       ALA  49  65.111  -8.453 -10.082
  370   1HB   ALA  49          1HB       ALA  49  64.078  -9.498  -7.545
  371   2HB   ALA  49          3HB       ALA  49  63.451 -10.305  -8.984
  372   3HB   ALA  49          2HB       ALA  49  65.192 -10.236  -8.698
  373    H    SER  50           H        SER  50  63.754  -6.456 -10.881
  374    HA   SER  50           HA       SER  50  61.541  -7.430 -12.277
  375   1HB   SER  50          2HB       SER  50  60.247  -7.522 -10.311
  376   2HB   SER  50          1HB       SER  50  60.897  -6.000  -9.710
  377    HG   SER  50           HG       SER  50  58.775  -5.763 -10.600
   
  No H/Q in entry =         377
  Start of MODEL   18
    1   1H    ALA   1          2H        ALA   1   0.607  -2.536  23.772
    2   2H    ALA   1          1H        ALA   1   0.278  -4.201  23.692
    3   3H    ALA   1          3H        ALA   1  -0.356  -3.273  24.961
    4    HA   ALA   1           HA       ALA   1   1.473  -3.422  26.177
    5   1HB   ALA   1          2HB       ALA   1   2.138  -5.456  24.027
    6   2HB   ALA   1          1HB       ALA   1   3.004  -5.325  25.560
    7   3HB   ALA   1          3HB       ALA   1   1.291  -5.762  25.544
    8    H    GLU   2           H        GLU   2   2.911  -3.864  22.945
    9    HA   GLU   2           HA       GLU   2   5.337  -2.663  23.390
   10   1HB   GLU   2          2HB       GLU   2   4.010  -3.682  21.198
   11   2HB   GLU   2          1HB       GLU   2   4.251  -1.990  20.768
   12   1HG   GLU   2          2HG       GLU   2   6.308  -2.637  20.113
   13   2HG   GLU   2          1HG       GLU   2   6.691  -2.677  21.834
   14    H    GLY   3           H        GLY   3   5.912  -0.694  23.994
   15   1HA   GLY   3          2HA       GLY   3   4.172   1.576  23.334
   16   2HA   GLY   3          1HA       GLY   3   5.037   1.443  24.855
   17    H    ASP   4           H        ASP   4   6.612   0.354  22.001
   18    HA   ASP   4           HA       ASP   4   8.771   2.191  22.314
   19   1HB   ASP   4          2HB       ASP   4   8.476  -0.251  21.124
   20   2HB   ASP   4          1HB       ASP   4   8.553   0.823  19.727
   21    H    ASP   5           H        ASP   5   6.004   1.971  20.166
   22    HA   ASP   5           HA       ASP   5   5.052   3.469  18.719
   23   1HB   ASP   5          2HB       ASP   5   5.121   4.971  20.652
   24   2HB   ASP   5          1HB       ASP   5   6.765   5.451  20.225
   25    HA   PRO   6           HA       PRO   6   8.327   3.535  15.648
   26   1HB   PRO   6          2HB       PRO   6   6.724   3.542  13.472
   27   2HB   PRO   6          1HB       PRO   6   7.071   2.090  14.422
   28   1HG   PRO   6          2HG       PRO   6   4.614   3.706  14.297
   29   2HG   PRO   6          1HG       PRO   6   4.826   2.000  14.719
   30   1HD   PRO   6          2HD       PRO   6   4.436   4.158  16.506
   31   2HD   PRO   6          1HD       PRO   6   4.849   2.485  16.921
   32    H    ALA   7           H        ALA   7   6.539   6.034  16.687
   33    HA   ALA   7           HA       ALA   7   6.439   7.874  14.567
   34   1HB   ALA   7          2HB       ALA   7   6.693   8.256  17.551
   35   2HB   ALA   7          1HB       ALA   7   6.476   9.592  16.419
   36   3HB   ALA   7          3HB       ALA   7   5.229   8.352  16.570
   37    H    LYS   8           H        LYS   8   8.784   7.888  17.256
   38    HA   LYS   8           HA       LYS   8  10.603   9.646  16.079
   39   1HB   LYS   8          2HB       LYS   8  12.154   8.863  17.771
   40   2HB   LYS   8          1HB       LYS   8  10.554   9.076  18.462
   41   1HG   LYS   8          2HG       LYS   8  10.390   6.908  19.024
   42   2HG   LYS   8          1HG       LYS   8  10.933   6.390  17.435
   43   1HD   LYS   8          2HD       LYS   8  12.387   5.775  19.498
   44   2HD   LYS   8          1HD       LYS   8  13.178   6.342  18.034
   45   1HE   LYS   8          2HE       LYS   8  13.882   7.314  20.372
   46   2HE   LYS   8          1HE       LYS   8  13.757   8.388  18.977
   47   1HZ   LYS   8          2HZ       LYS   8  11.310   8.030  20.489
   48   2HZ   LYS   8          1HZ       LYS   8  12.561   8.822  21.322
   49   3HZ   LYS   8          3HZ       LYS   8  12.000   9.444  19.848
   50    H    ALA   9           H        ALA   9  10.118   6.239  15.665
   51    HA   ALA   9           HA       ALA   9  12.548   5.352  14.694
   52   1HB   ALA   9          3HB       ALA   9  10.257   4.129  15.025
   53   2HB   ALA   9          2HB       ALA   9  10.023   4.523  13.320
   54   3HB   ALA   9          1HB       ALA   9  11.401   3.540  13.818
   55    H    ALA  10           H        ALA  10   9.879   6.752  12.792
   56    HA   ALA  10           HA       ALA  10  11.131   6.758  10.299
   57   1HB   ALA  10          1HB       ALA  10   8.822   8.062  11.530
   58   2HB   ALA  10          3HB       ALA  10   9.573   9.032  10.261
   59   3HB   ALA  10          2HB       ALA  10   9.011   7.397   9.906
   60    H    PHE  11           H        PHE  11  11.079   9.275  12.803
   61    HA   PHE  11           HA       PHE  11  12.660  11.156  11.393
   62   1HB   PHE  11          2HB       PHE  11  11.411  10.983  13.943
   63   2HB   PHE  11          1HB       PHE  11  13.091  11.416  14.200
   64    HD1  PHE  11           HD1      PHE  11  14.043  13.364  12.794
   65    HD2  PHE  11           HD2      PHE  11   9.849  12.648  13.299
   66    HE1  PHE  11           HE1      PHE  11  13.560  15.692  12.162
   67    HE2  PHE  11           HE2      PHE  11   9.384  14.976  12.668
   68    HZ   PHE  11           HZ       PHE  11  11.234  16.498  12.099
   69    H    ASN  12           H        ASN  12  13.437   8.453  13.486
   70    HA   ASN  12           HA       ASN  12  16.242   9.081  13.678
   71   1HB   ASN  12          2HB       ASN  12  14.847   7.730  15.347
   72   2HB   ASN  12          1HB       ASN  12  14.993   6.393  14.206
   73   1HD2  ASN  12          2HD2      ASN  12  18.289   5.634  15.027
   74   2HD2  ASN  12          1HD2      ASN  12  16.890   5.294  14.071
   75    H    SER  13           H        SER  13  14.190   7.165  11.594
   76    HA   SER  13           HA       SER  13  16.198   5.594  10.356
   77   1HB   SER  13          2HB       SER  13  13.522   5.559  10.222
   78   2HB   SER  13          1HB       SER  13  13.859   6.472   8.749
   79    HG   SER  13           HG       SER  13  13.874   3.944   8.861
   80    H    LEU  14           H        LEU  14  15.116   8.871   9.928
   81    HA   LEU  14           HA       LEU  14  16.235   9.324   7.362
   82   1HB   LEU  14          2HB       LEU  14  14.513  10.775   8.330
   83   2HB   LEU  14          1HB       LEU  14  15.634  11.253   9.601
   84    HG   LEU  14           HG       LEU  14  17.181  11.973   7.622
   85   1HD1  LEU  14          3HD1      LEU  14  15.746  10.927   5.861
   86   2HD1  LEU  14          2HD1      LEU  14  14.505  12.133   6.214
   87   3HD1  LEU  14          1HD1      LEU  14  16.071  12.638   5.581
   88   1HD2  LEU  14          2HD2      LEU  14  14.727  13.500   8.502
   89   2HD2  LEU  14          1HD2      LEU  14  16.404  13.709   9.029
   90   3HD2  LEU  14          3HD2      LEU  14  15.916  14.196   7.405
   91    H    GLN  15           H        GLN  15  17.517   9.253  10.578
   92    HA   GLN  15           HA       GLN  15  19.994  10.602   9.868
   93   1HB   GLN  15          2HB       GLN  15  19.022  10.927  12.091
   94   2HB   GLN  15          1HB       GLN  15  19.141   9.199  12.406
   95   1HG   GLN  15          2HG       GLN  15  21.075   9.906  13.426
   96   2HG   GLN  15          1HG       GLN  15  21.694   9.628  11.799
   97   1HE2  GLN  15          2HD2      GLN  15  23.010  12.876  12.157
   98   2HE2  GLN  15          1HD2      GLN  15  23.343  11.182  12.227
   99    H    ALA  16           H        ALA  16  18.816   7.341  10.472
  100    HA   ALA  16           HA       ALA  16  21.485   6.200  10.153
  101   1HB   ALA  16          3HB       ALA  16  19.017   5.392  11.385
  102   2HB   ALA  16          2HB       ALA  16  19.564   4.152  10.255
  103   3HB   ALA  16          1HB       ALA  16  20.628   4.693  11.556
  104    H    SER  17           H        SER  17  19.723   7.502   7.947
  105    HA   SER  17           HA       SER  17  19.501   5.247   6.092
  106   1HB   SER  17          2HB       SER  17  17.631   6.818   6.199
  107   2HB   SER  17          1HB       SER  17  18.708   8.147   5.791
  108    HG   SER  17           HG       SER  17  19.146   6.968   3.801
  109    H    ALA  18           H        ALA  18  22.026   6.912   7.088
  110    HA   ALA  18           HA       ALA  18  23.114   7.570   4.439
  111   1HB   ALA  18          1HB       ALA  18  23.648   8.452   7.206
  112   2HB   ALA  18          3HB       ALA  18  25.060   8.292   6.162
  113   3HB   ALA  18          2HB       ALA  18  23.733   9.355   5.691
  114    H    THR  19           H        THR  19  22.726   4.849   5.062
  115    HA   THR  19           HA       THR  19  25.313   3.754   5.833
  116    HB   THR  19           HB       THR  19  24.198   1.568   5.505
  117    HG1  THR  19           HG1      THR  19  22.735   2.111   3.894
  118   1HG2  THR  19          1HG2      THR  19  23.032   3.662   7.302
  119   2HG2  THR  19          3HG2      THR  19  22.269   2.073   7.230
  120   3HG2  THR  19          2HG2      THR  19  23.959   2.218   7.716
  121    H    GLU  20           H        GLU  20  23.921   4.878   2.984
  122    HA   GLU  20           HA       GLU  20  25.293   2.998   1.242
  123   1HB   GLU  20          2HB       GLU  20  22.939   4.401   1.041
  124   2HB   GLU  20          1HB       GLU  20  24.032   5.314   0.006
  125   1HG   GLU  20          2HG       GLU  20  22.825   3.541  -1.223
  126   2HG   GLU  20          1HG       GLU  20  24.573   3.317  -1.254
  127    H    TYR  21           H        TYR  21  25.973   5.894   2.786
  128    HA   TYR  21           HA       TYR  21  27.784   6.901   0.728
  129   1HB   TYR  21          2HB       TYR  21  26.674   7.926   3.286
  130   2HB   TYR  21          1HB       TYR  21  28.214   8.570   2.739
  131    HD1  TYR  21           HD1      TYR  21  24.650   8.162   1.911
  132    HD2  TYR  21           HD2      TYR  21  28.317  10.076   0.842
  133    HE1  TYR  21           HE1      TYR  21  23.430   9.651   0.377
  134    HE2  TYR  21           HE2      TYR  21  27.088  11.562  -0.687
  135    HH   TYR  21           HH       TYR  21  24.188  11.021  -1.854
  136    H    ILE  22           H        ILE  22  27.871   4.849   3.445
  137    HA   ILE  22           HA       ILE  22  30.675   5.336   4.055
  138    HB   ILE  22           HB       ILE  22  28.541   3.521   5.192
  139   1HG1  ILE  22          2HG1      ILE  22  28.659   4.889   7.182
  140   2HG1  ILE  22          1HG1      ILE  22  30.106   5.728   6.601
  141   1HG2  ILE  22          3HG2      ILE  22  31.507   3.506   5.783
  142   2HG2  ILE  22          2HG2      ILE  22  30.328   2.964   6.986
  143   3HG2  ILE  22          1HG2      ILE  22  30.436   2.153   5.427
  144   1HD1  ILE  22          2HD1      ILE  22  27.557   5.914   5.026
  145   2HD1  ILE  22          1HD1      ILE  22  27.796   6.907   6.460
  146   3HD1  ILE  22          3HD1      ILE  22  28.913   7.037   5.104
  147    H    GLY  23           H        GLY  23  28.704   2.678   2.765
  148   1HA   GLY  23          2HA       GLY  23  30.471   0.647   2.462
  149   2HA   GLY  23          1HA       GLY  23  29.254   1.024   1.246
  150    H    TYR  24           H        TYR  24  30.456   3.621   0.581
  151    HA   TYR  24           HA       TYR  24  32.277   2.716  -1.427
  152   1HB   TYR  24          2HB       TYR  24  31.452   5.473  -0.540
  153   2HB   TYR  24          1HB       TYR  24  32.525   5.173  -1.897
  154    HD1  TYR  24           HD2      TYR  24  31.666   3.810  -3.859
  155    HD2  TYR  24           HD1      TYR  24  29.083   5.282  -0.781
  156    HE1  TYR  24           HE2      TYR  24  29.715   3.489  -5.325
  157    HE2  TYR  24           HE1      TYR  24  27.150   4.953  -2.253
  158    HH   TYR  24           HH       TYR  24  27.503   4.102  -5.614
  159    H    ALA  25           H        ALA  25  32.629   4.311   1.682
  160    HA   ALA  25           HA       ALA  25  35.287   5.149   1.513
  161   1HB   ALA  25          1HB       ALA  25  33.324   4.699   3.604
  162   2HB   ALA  25          3HB       ALA  25  34.958   4.306   4.140
  163   3HB   ALA  25          2HB       ALA  25  34.602   5.913   3.503
  164    H    TRP  26           H        TRP  26  33.994   1.963   1.662
  165    HA   TRP  26           HA       TRP  26  36.325   0.697   2.766
  166   1HB   TRP  26          2HB       TRP  26  33.664  -0.092   1.865
  167   2HB   TRP  26          1HB       TRP  26  34.909  -1.249   1.431
  168    HD1  TRP  26          1HD       TRP  26  32.631  -0.527   4.176
  169    HE1  TRP  26          1HE       TRP  26  33.425  -1.606   6.346
  170    HE3  TRP  26          3HE       TRP  26  37.426  -1.710   2.858
  171    HZ2  TRP  26          2HZ       TRP  26  35.741  -2.810   7.394
  172    HZ3  TRP  26          3HZ       TRP  26  38.885  -2.830   4.496
  173    HH2  TRP  26           HH2      TRP  26  38.053  -3.376   6.745
  174    H    ALA  27           H        ALA  27  34.898   0.942  -0.485
  175    HA   ALA  27           HA       ALA  27  36.833  -0.551  -1.853
  176   1HB   ALA  27          3HB       ALA  27  34.616   1.151  -2.526
  177   2HB   ALA  27          2HB       ALA  27  35.985   1.514  -3.581
  178   3HB   ALA  27          1HB       ALA  27  35.359  -0.134  -3.481
  179    H    MET  28           H        MET  28  36.617   2.979  -1.420
  180    HA   MET  28           HA       MET  28  38.953   3.706  -2.719
  181   1HB   MET  28          2HB       MET  28  37.123   4.926  -0.816
  182   2HB   MET  28          1HB       MET  28  38.778   5.416  -0.506
  183   1HG   MET  28          2HG       MET  28  37.400   6.873  -2.108
  184   2HG   MET  28          1HG       MET  28  39.010   6.415  -2.637
  185   1HE   MET  28          3HE       MET  28  35.418   6.221  -2.767
  186   2HE   MET  28          2HE       MET  28  35.404   6.656  -4.476
  187   3HE   MET  28          1HE       MET  28  34.946   5.025  -3.985
  188    H    VAL  29           H        VAL  29  38.476   2.432   0.514
  189    HA   VAL  29           HA       VAL  29  40.970   2.952   1.636
  190    HB   VAL  29           HB       VAL  29  38.658   1.413   2.232
  191   1HG1  VAL  29          1HG1      VAL  29  39.912  -0.610   1.666
  192   2HG1  VAL  29          3HG1      VAL  29  41.182  -0.141   2.798
  193   3HG1  VAL  29          2HG1      VAL  29  39.565  -0.525   3.395
  194   1HG2  VAL  29          2HG2      VAL  29  39.627   3.158   3.630
  195   2HG2  VAL  29          1HG2      VAL  29  39.427   1.655   4.534
  196   3HG2  VAL  29          3HG2      VAL  29  41.025   2.131   3.956
  197    H    VAL  30           H        VAL  30  39.917   0.155  -0.287
  198    HA   VAL  30           HA       VAL  30  42.285  -1.297  -0.290
  199    HB   VAL  30           HB       VAL  30  40.194  -1.027  -2.444
  200   1HG1  VAL  30          1HG1      VAL  30  42.406  -3.004  -2.005
  201   2HG1  VAL  30          3HG1      VAL  30  40.979  -3.390  -2.967
  202   3HG1  VAL  30          2HG1      VAL  30  42.038  -2.065  -3.452
  203   1HG2  VAL  30          2HG2      VAL  30  40.393  -2.658   0.056
  204   2HG2  VAL  30          1HG2      VAL  30  39.015  -1.767  -0.594
  205   3HG2  VAL  30          3HG2      VAL  30  39.513  -3.288  -1.338
  206    H    VAL  31           H        VAL  31  41.155   1.175  -2.591
  207    HA   VAL  31           HA       VAL  31  43.326   1.106  -4.333
  208    HB   VAL  31           HB       VAL  31  41.557   3.420  -3.571
  209   1HG1  VAL  31          1HG1      VAL  31  43.341   2.977  -5.956
  210   2HG1  VAL  31          3HG1      VAL  31  42.126   4.250  -5.843
  211   3HG1  VAL  31          2HG1      VAL  31  43.491   4.233  -4.726
  212   1HG2  VAL  31          1HG2      VAL  31  41.290   1.208  -5.599
  213   2HG2  VAL  31          3HG2      VAL  31  40.153   1.679  -4.333
  214   3HG2  VAL  31          2HG2      VAL  31  40.395   2.723  -5.736
  215    H    ILE  32           H        ILE  32  43.110   2.291  -1.138
  216    HA   ILE  32           HA       ILE  32  45.482   3.985  -1.417
  217    HB   ILE  32           HB       ILE  32  43.631   3.488   0.912
  218   1HG1  ILE  32          2HG1      ILE  32  43.976   5.905  -0.868
  219   2HG1  ILE  32          1HG1      ILE  32  42.647   4.752  -0.961
  220   1HG2  ILE  32          2HG2      ILE  32  46.231   4.854   0.717
  221   2HG2  ILE  32          1HG2      ILE  32  44.956   5.776   1.516
  222   3HG2  ILE  32          3HG2      ILE  32  45.403   4.180   2.122
  223   1HD1  ILE  32          1HD1      ILE  32  42.069   5.316   1.405
  224   2HD1  ILE  32          3HD1      ILE  32  43.312   6.569   1.364
  225   3HD1  ILE  32          2HD1      ILE  32  41.911   6.681   0.297
  226    H    VAL  33           H        VAL  33  44.359   1.111   0.354
  227    HA   VAL  33           HA       VAL  33  46.726   0.609   1.771
  228    HB   VAL  33           HB       VAL  33  44.540  -1.233   0.818
  229   1HG1  VAL  33          2HG1      VAL  33  47.026  -1.787   2.121
  230   2HG1  VAL  33          1HG1      VAL  33  45.678  -2.188   3.187
  231   3HG1  VAL  33          3HG1      VAL  33  45.773  -2.903   1.577
  232   1HG2  VAL  33          1HG2      VAL  33  44.333   0.850   2.565
  233   2HG2  VAL  33          3HG2      VAL  33  43.306  -0.584   2.583
  234   3HG2  VAL  33          2HG2      VAL  33  44.707  -0.490   3.651
  235    H    GLY  34           H        GLY  34  45.748  -0.038  -1.508
  236   1HA   GLY  34          2HA       GLY  34  47.754  -2.014  -2.080
  237   2HA   GLY  34          1HA       GLY  34  46.763  -1.155  -3.261
  238    H    ALA  35           H        ALA  35  47.378   1.428  -2.964
  239    HA   ALA  35           HA       ALA  35  49.730   1.842  -4.337
  240   1HB   ALA  35          3HB       ALA  35  47.856   3.498  -2.833
  241   2HB   ALA  35          2HB       ALA  35  49.502   4.134  -2.804
  242   3HB   ALA  35          1HB       ALA  35  48.696   3.840  -4.347
  243    H    THR  36           H        THR  36  49.223   1.395  -0.929
  244    HA   THR  36           HA       THR  36  51.738   2.288   0.030
  245    HB   THR  36           HB       THR  36  49.690   0.347   1.097
  246    HG1  THR  36           HG1      THR  36  49.242   2.110   2.473
  247   1HG2  THR  36          1HG2      THR  36  52.333   1.164   2.226
  248   2HG2  THR  36          3HG2      THR  36  50.970   0.892   3.316
  249   3HG2  THR  36          2HG2      THR  36  51.530  -0.409   2.262
  250    H    ILE  37           H        ILE  37  50.499  -0.911  -0.889
  251    HA   ILE  37           HA       ILE  37  52.742  -2.457  -0.334
  252    HB   ILE  37           HB       ILE  37  50.743  -2.737  -2.571
  253   1HG1  ILE  37          2HG1      ILE  37  49.618  -2.589  -0.456
  254   2HG1  ILE  37          1HG1      ILE  37  49.610  -4.269  -0.976
  255   1HG2  ILE  37          3HG2      ILE  37  52.642  -4.726  -1.338
  256   2HG2  ILE  37          2HG2      ILE  37  51.281  -5.167  -2.374
  257   3HG2  ILE  37          1HG2      ILE  37  52.596  -4.180  -3.015
  258   1HD1  ILE  37          2HD1      ILE  37  51.944  -4.094   0.486
  259   2HD1  ILE  37          1HD1      ILE  37  50.828  -3.063   1.385
  260   3HD1  ILE  37          3HD1      ILE  37  50.411  -4.749   1.068
  261    H    GLY  38           H        GLY  38  52.241  -0.114  -2.822
  262   1HA   GLY  38          2HA       GLY  38  54.360  -1.117  -4.541
  263   2HA   GLY  38          1HA       GLY  38  53.400   0.340  -4.795
  264    H    ILE  39           H        ILE  39  54.014   1.077  -1.894
  265    HA   ILE  39           HA       ILE  39  56.542   2.428  -2.502
  266    HB   ILE  39           HB       ILE  39  55.119   2.877   0.069
  267   1HG1  ILE  39          2HG1      ILE  39  53.227   2.916  -1.377
  268   2HG1  ILE  39          1HG1      ILE  39  53.667   4.571  -1.032
  269   1HG2  ILE  39          3HG2      ILE  39  57.269   4.021  -0.871
  270   2HG2  ILE  39          2HG2      ILE  39  56.107   4.985  -1.786
  271   3HG2  ILE  39          1HG2      ILE  39  56.048   4.975  -0.025
  272   1HD1  ILE  39          3HD1      ILE  39  54.936   4.584  -3.222
  273   2HD1  ILE  39          2HD1      ILE  39  54.146   3.048  -3.587
  274   3HD1  ILE  39          1HD1      ILE  39  53.180   4.502  -3.350
  275    H    LYS  40           H        LYS  40  55.114   0.128  -0.308
  276    HA   LYS  40           HA       LYS  40  57.192  -0.124   1.550
  277   1HB   LYS  40          2HB       LYS  40  54.750  -1.172   1.369
  278   2HB   LYS  40          1HB       LYS  40  55.665  -2.529   0.725
  279   1HG   LYS  40          2HG       LYS  40  55.883  -3.095   2.899
  280   2HG   LYS  40          1HG       LYS  40  57.155  -1.877   2.901
  281   1HD   LYS  40          2HD       LYS  40  54.297  -1.128   3.429
  282   2HD   LYS  40          1HD       LYS  40  55.307  -1.762   4.725
  283   1HE   LYS  40          2HE       LYS  40  55.692   0.775   3.123
  284   2HE   LYS  40          1HE       LYS  40  55.464   0.615   4.864
  285   1HZ   LYS  40          2HZ       LYS  40  57.655  -0.865   4.480
  286   2HZ   LYS  40          1HZ       LYS  40  57.867   0.330   3.293
  287   3HZ   LYS  40          3HZ       LYS  40  57.671   0.777   4.916
  288    H    LEU  41           H        LEU  41  56.551  -1.806  -1.490
  289    HA   LEU  41           HA       LEU  41  58.681  -3.608  -1.469
  290   1HB   LEU  41          2HB       LEU  41  57.027  -2.311  -3.585
  291   2HB   LEU  41          1HB       LEU  41  58.455  -3.210  -4.075
  292    HG   LEU  41           HG       LEU  41  56.355  -4.361  -2.244
  293   1HD1  LEU  41          1HD1      LEU  41  56.361  -4.110  -5.209
  294   2HD1  LEU  41          3HD1      LEU  41  55.763  -5.613  -4.500
  295   3HD1  LEU  41          2HD1      LEU  41  55.012  -4.074  -4.072
  296   1HD2  LEU  41          1HD2      LEU  41  58.743  -5.356  -2.530
  297   2HD2  LEU  41          3HD2      LEU  41  57.346  -6.430  -2.600
  298   3HD2  LEU  41          2HD2      LEU  41  58.135  -5.914  -4.091
  299    H    PHE  42           H        PHE  42  58.607  -0.191  -2.028
  300    HA   PHE  42           HA       PHE  42  61.244  -0.088  -3.240
  301   1HB   PHE  42          2HB       PHE  42  59.277   1.452  -3.773
  302   2HB   PHE  42          1HB       PHE  42  59.623   2.239  -2.239
  303    HD1  PHE  42           HD1      PHE  42  61.038   1.400  -5.559
  304    HD2  PHE  42           HD2      PHE  42  61.390   3.792  -2.039
  305    HE1  PHE  42           HE1      PHE  42  62.757   2.778  -6.665
  306    HE2  PHE  42           HE2      PHE  42  63.109   5.167  -3.146
  307    HZ   PHE  42           HZ       PHE  42  63.792   4.662  -5.458
  308    H    LYS  43           H        LYS  43  59.726   0.662  -0.132
  309    HA   LYS  43           HA       LYS  43  62.007   1.861   1.052
  310   1HB   LYS  43          2HB       LYS  43  59.521   0.608   2.173
  311   2HB   LYS  43          1HB       LYS  43  60.787   1.244   3.220
  312   1HG   LYS  43          2HG       LYS  43  59.780   2.997   1.015
  313   2HG   LYS  43          1HG       LYS  43  58.731   2.751   2.401
  314   1HD   LYS  43          2HD       LYS  43  59.998   4.020   3.776
  315   2HD   LYS  43          1HD       LYS  43  61.515   3.439   3.103
  316   1HE   LYS  43          2HE       LYS  43  60.671   5.946   2.765
  317   2HE   LYS  43          1HE       LYS  43  61.618   5.109   1.539
  318   1HZ   LYS  43          3HZ       LYS  43  58.688   4.887   1.483
  319   2HZ   LYS  43          2HZ       LYS  43  59.415   6.318   0.924
  320   3HZ   LYS  43          1HZ       LYS  43  59.798   4.828   0.202
  321    H    LYS  44           H        LYS  44  60.665  -1.420   1.242
  322    HA   LYS  44           HA       LYS  44  62.309  -2.627   3.043
  323   1HB   LYS  44          2HB       LYS  44  60.443  -3.696   1.786
  324   2HB   LYS  44          1HB       LYS  44  61.498  -3.847   0.401
  325   1HG   LYS  44          2HG       LYS  44  62.234  -5.005   3.091
  326   2HG   LYS  44          1HG       LYS  44  61.217  -5.887   1.949
  327   1HD   LYS  44          2HD       LYS  44  64.107  -5.027   1.569
  328   2HD   LYS  44          1HD       LYS  44  63.483  -6.681   1.521
  329   1HE   LYS  44          2HE       LYS  44  63.045  -4.481  -0.520
  330   2HE   LYS  44          1HE       LYS  44  63.931  -5.984  -0.740
  331   1HZ   LYS  44          3HZ       LYS  44  61.681  -7.055  -0.130
  332   2HZ   LYS  44          2HZ       LYS  44  61.027  -5.546  -0.552
  333   3HZ   LYS  44          1HZ       LYS  44  61.908  -6.443  -1.694
  334    H    PHE  45           H        PHE  45  63.031  -2.269  -0.430
  335    HA   PHE  45           HA       PHE  45  65.656  -3.359  -0.236
  336   1HB   PHE  45          2HB       PHE  45  64.069  -1.906  -2.294
  337   2HB   PHE  45          1HB       PHE  45  65.808  -1.927  -2.472
  338    HD1  PHE  45           HD1      PHE  45  67.009  -4.204  -2.502
  339    HD2  PHE  45           HD2      PHE  45  62.760  -3.793  -2.956
  340    HE1  PHE  45           HE1      PHE  45  66.882  -6.450  -3.484
  341    HE2  PHE  45           HE2      PHE  45  62.661  -6.041  -3.935
  342    HZ   PHE  45           HZ       PHE  45  64.715  -7.371  -4.201
  343    H    THR  46           H        THR  46  64.344  -0.082  -0.193
  344    HA   THR  46           HA       THR  46  66.988   1.086   0.084
  345    HB   THR  46           HB       THR  46  65.785   3.196  -0.011
  346    HG1  THR  46           HG1      THR  46  63.685   3.315   0.272
  347   1HG2  THR  46          2HG2      THR  46  66.218   1.626  -2.076
  348   2HG2  THR  46          1HG2      THR  46  64.456   1.556  -2.117
  349   3HG2  THR  46          3HG2      THR  46  65.279   3.111  -2.258
  350    H    SER  47           H        SER  47  66.875  -0.453   2.125
  351    HA   SER  47           HA       SER  47  66.721   1.294   4.412
  352   1HB   SER  47          2HB       SER  47  64.972   0.352   5.579
  353   2HB   SER  47          1HB       SER  47  64.353   0.271   3.934
  354    HG   SER  47           HG       SER  47  64.763  -1.735   5.630
  355    H    LYS  48           H        LYS  48  66.815  -2.157   3.514
  356    HA   LYS  48           HA       LYS  48  68.393  -3.015   5.644
  357   1HB   LYS  48          2HB       LYS  48  68.222  -4.226   2.907
  358   2HB   LYS  48          1HB       LYS  48  68.741  -5.018   4.388
  359   1HG   LYS  48          2HG       LYS  48  66.379  -4.454   5.281
  360   2HG   LYS  48          1HG       LYS  48  65.971  -4.108   3.603
  361   1HD   LYS  48          2HD       LYS  48  66.933  -6.732   4.746
  362   2HD   LYS  48          1HD       LYS  48  65.340  -6.379   4.081
  363   1HE   LYS  48          2HE       LYS  48  66.194  -7.286   2.194
  364   2HE   LYS  48          1HE       LYS  48  66.926  -5.698   1.983
  365   1HZ   LYS  48          1HZ       LYS  48  68.627  -7.081   3.642
  366   2HZ   LYS  48          3HZ       LYS  48  68.171  -8.207   2.457
  367   3HZ   LYS  48          2HZ       LYS  48  68.869  -6.728   1.997
  368    H    ALA  49           H        ALA  49  69.857  -1.138   5.447
  369    HA   ALA  49           HA       ALA  49  72.361  -2.030   4.603
  370   1HB   ALA  49          3HB       ALA  49  70.959  -0.050   2.850
  371   2HB   ALA  49          2HB       ALA  49  72.718  -0.002   3.004
  372   3HB   ALA  49          1HB       ALA  49  71.923  -1.455   2.392
  373    H    SER  50           H        SER  50  74.022  -0.856   5.538
  374    HA   SER  50           HA       SER  50  73.964   1.784   6.413
  375   1HB   SER  50          2HB       SER  50  72.212   0.281   7.936
  376   2HB   SER  50          1HB       SER  50  73.671   0.326   8.919
  377    HG   SER  50           HG       SER  50  72.382   2.594   7.759
   
  No H/Q in entry =         377
  Start of MODEL   19
    1   1H    ALA   1          3H        ALA   1   2.092   1.001  -3.993
    2   2H    ALA   1          2H        ALA   1   1.136  -0.403  -4.038
    3   3H    ALA   1          1H        ALA   1   2.375  -0.253  -2.886
    4    HA   ALA   1           HA       ALA   1   4.056  -0.359  -4.534
    5   1HB   ALA   1          1HB       ALA   1   1.938  -2.478  -5.022
    6   2HB   ALA   1          3HB       ALA   1   3.637  -2.616  -5.481
    7   3HB   ALA   1          2HB       ALA   1   3.185  -2.536  -3.773
    8    H    GLU   2           H        GLU   2   0.859  -0.706  -6.082
    9    HA   GLU   2           HA       GLU   2   1.586  -0.545  -8.727
   10   1HB   GLU   2          2HB       GLU   2  -0.833   0.797  -7.520
   11   2HB   GLU   2          1HB       GLU   2  -0.647   0.244  -9.183
   12   1HG   GLU   2          2HG       GLU   2  -0.194  -2.082  -8.044
   13   2HG   GLU   2          1HG       GLU   2  -1.058  -1.356  -6.688
   14    H    GLY   3           H        GLY   3   1.573   1.211 -10.253
   15   1HA   GLY   3          2HA       GLY   3   2.380   3.220 -11.027
   16   2HA   GLY   3          1HA       GLY   3   1.468   3.929  -9.695
   17    H    ASP   4           H        ASP   4   3.608   5.306 -10.233
   18    HA   ASP   4           HA       ASP   4   6.010   4.384  -8.960
   19   1HB   ASP   4          2HB       ASP   4   5.528   6.279 -10.810
   20   2HB   ASP   4          1HB       ASP   4   5.599   7.284  -9.362
   21    H    ASP   5           H        ASP   5   3.727   6.987  -8.194
   22    HA   ASP   5           HA       ASP   5   3.114   7.965  -6.211
   23   1HB   ASP   5          2HB       ASP   5   2.418   5.593  -5.772
   24   2HB   ASP   5          1HB       ASP   5   3.971   5.347  -4.970
   25    HA   PRO   6           HA       PRO   6   7.332   9.114  -4.982
   26   1HB   PRO   6          2HB       PRO   6   6.938  11.788  -5.060
   27   2HB   PRO   6          1HB       PRO   6   7.318  10.818  -6.491
   28   1HG   PRO   6          2HG       PRO   6   4.784  12.074  -5.705
   29   2HG   PRO   6          1HG       PRO   6   5.348  11.571  -7.305
   30   1HD   PRO   6          2HD       PRO   6   3.522  10.203  -5.597
   31   2HD   PRO   6          1HD       PRO   6   4.158   9.663  -7.162
   32    H    ALA   7           H        ALA   7   4.511   8.996  -3.376
   33    HA   ALA   7           HA       ALA   7   5.046  10.823  -1.207
   34   1HB   ALA   7          3HB       ALA   7   2.744  10.089  -1.964
   35   2HB   ALA   7          2HB       ALA   7   3.091   8.524  -1.225
   36   3HB   ALA   7          1HB       ALA   7   3.043   9.980  -0.228
   37    H    LYS   8           H        LYS   8   4.618   7.285  -1.225
   38    HA   LYS   8           HA       LYS   8   6.003   6.891   1.218
   39   1HB   LYS   8          2HB       LYS   8   5.746   4.554   0.745
   40   2HB   LYS   8          1HB       LYS   8   4.265   5.373   0.273
   41   1HG   LYS   8          2HG       LYS   8   5.125   5.418  -2.090
   42   2HG   LYS   8          1HG       LYS   8   6.502   4.460  -1.551
   43   1HD   LYS   8          2HD       LYS   8   4.470   3.235  -2.614
   44   2HD   LYS   8          1HD       LYS   8   5.229   2.553  -1.183
   45   1HE   LYS   8          2HE       LYS   8   2.705   2.555  -1.157
   46   2HE   LYS   8          1HE       LYS   8   3.454   3.331   0.235
   47   1HZ   LYS   8          3HZ       LYS   8   3.179   5.427  -1.343
   48   2HZ   LYS   8          2HZ       LYS   8   1.901   4.490  -1.947
   49   3HZ   LYS   8          1HZ       LYS   8   1.946   4.909  -0.303
   50    H    ALA   9           H        ALA   9   6.944   6.965  -2.135
   51    HA   ALA   9           HA       ALA   9   9.308   5.592  -2.235
   52   1HB   ALA   9          2HB       ALA   9   8.115   7.803  -3.681
   53   2HB   ALA   9          1HB       ALA   9   9.872   7.947  -3.613
   54   3HB   ALA   9          3HB       ALA   9   9.132   6.490  -4.277
   55    H    ALA  10           H        ALA  10   9.205   9.105  -1.593
   56    HA   ALA  10           HA       ALA  10  11.812   9.481  -0.801
   57   1HB   ALA  10          3HB       ALA  10   9.951  11.216  -1.077
   58   2HB   ALA  10          2HB       ALA  10   9.518  10.848   0.594
   59   3HB   ALA  10          1HB       ALA  10  11.117  11.496   0.218
   60    H    PHE  11           H        PHE  11   9.106   8.297   1.132
   61    HA   PHE  11           HA       PHE  11  10.477   8.266   3.625
   62   1HB   PHE  11          2HB       PHE  11   7.945   8.132   3.133
   63   2HB   PHE  11          1HB       PHE  11   8.228   6.414   2.909
   64    HD1  PHE  11           HD1      PHE  11   9.606   5.246   4.831
   65    HD2  PHE  11           HD2      PHE  11   7.393   8.883   5.306
   66    HE1  PHE  11           HE1      PHE  11   9.499   4.874   7.261
   67    HE2  PHE  11           HE2      PHE  11   7.295   8.495   7.730
   68    HZ   PHE  11           HZ       PHE  11   8.345   6.496   8.710
   69    H    ASN  12           H        ASN  12  10.062   5.928   1.025
   70    HA   ASN  12           HA       ASN  12  11.338   3.770   2.441
   71   1HB   ASN  12          2HB       ASN  12   9.645   3.391   0.676
   72   2HB   ASN  12          1HB       ASN  12  10.763   4.064  -0.512
   73   1HD2  ASN  12          2HD2      ASN  12  11.553   0.642  -0.983
   74   2HD2  ASN  12          1HD2      ASN  12  10.574   1.951  -1.540
   75    H    SER  13           H        SER  13  12.276   5.926  -0.231
   76    HA   SER  13           HA       SER  13  14.880   4.907  -0.587
   77   1HB   SER  13          2HB       SER  13  14.584   7.773  -1.102
   78   2HB   SER  13          1HB       SER  13  15.013   6.463  -2.203
   79    HG   SER  13           HG       SER  13  12.984   6.292  -2.792
   80    H    LEU  14           H        LEU  14  13.539   7.224   1.654
   81    HA   LEU  14           HA       LEU  14  15.790   8.574   2.523
   82   1HB   LEU  14          2HB       LEU  14  13.544   9.165   3.251
   83   2HB   LEU  14          1HB       LEU  14  13.368   7.636   4.069
   84    HG   LEU  14           HG       LEU  14  13.934   9.754   5.435
   85   1HD1  LEU  14          3HD1      LEU  14  13.741   7.501   6.374
   86   2HD1  LEU  14          2HD1      LEU  14  15.431   7.195   5.965
   87   3HD1  LEU  14          1HD1      LEU  14  15.022   8.428   7.154
   88   1HD2  LEU  14          3HD2      LEU  14  16.068  10.287   4.071
   89   2HD2  LEU  14          2HD2      LEU  14  16.180  10.348   5.824
   90   3HD2  LEU  14          1HD2      LEU  14  16.797   8.950   4.962
   91    H    GLN  15           H        GLN  15  14.618   5.370   3.452
   92    HA   GLN  15           HA       GLN  15  16.603   4.917   5.455
   93   1HB   GLN  15          2HB       GLN  15  14.420   3.762   5.407
   94   2HB   GLN  15          1HB       GLN  15  14.923   2.915   3.947
   95   1HG   GLN  15          2HG       GLN  15  15.254   1.507   5.920
   96   2HG   GLN  15          1HG       GLN  15  16.802   1.918   5.184
   97   1HE2  GLN  15          2HD2      GLN  15  17.583   2.549   8.605
   98   2HE2  GLN  15          1HD2      GLN  15  17.543   1.313   7.398
   99    H    ALA  16           H        ALA  16  16.348   4.188   2.013
  100    HA   ALA  16           HA       ALA  16  18.997   2.895   2.099
  101   1HB   ALA  16          2HB       ALA  16  17.176   1.598   1.081
  102   2HB   ALA  16          1HB       ALA  16  16.916   2.896  -0.086
  103   3HB   ALA  16          3HB       ALA  16  18.432   1.992  -0.096
  104    H    SER  17           H        SER  17  18.400   5.840   2.137
  105    HA   SER  17           HA       SER  17  19.791   6.606  -0.355
  106   1HB   SER  17          2HB       SER  17  17.744   7.758  -0.319
  107   2HB   SER  17          1HB       SER  17  17.855   8.076   1.407
  108    HG   SER  17           HG       SER  17  18.473   9.962   0.460
  109    H    ALA  18           H        ALA  18  19.704   7.045   3.149
  110    HA   ALA  18           HA       ALA  18  21.964   8.801   3.249
  111   1HB   ALA  18          1HB       ALA  18  20.005   8.307   4.981
  112   2HB   ALA  18          3HB       ALA  18  21.196   7.170   5.614
  113   3HB   ALA  18          2HB       ALA  18  21.587   8.887   5.504
  114    H    THR  19           H        THR  19  21.559   5.367   3.106
  115    HA   THR  19           HA       THR  19  24.347   4.919   3.937
  116    HB   THR  19           HB       THR  19  23.799   2.611   4.143
  117    HG1  THR  19           HG1      THR  19  22.145   1.709   3.147
  118   1HG2  THR  19          3HG2      THR  19  22.783   4.362   5.829
  119   2HG2  THR  19          2HG2      THR  19  21.249   3.821   5.145
  120   3HG2  THR  19          1HG2      THR  19  22.323   2.662   5.928
  121    H    GLU  20           H        GLU  20  23.449   6.121   1.342
  122    HA   GLU  20           HA       GLU  20  24.134   4.103  -0.621
  123   1HB   GLU  20          2HB       GLU  20  22.626   6.457  -0.638
  124   2HB   GLU  20          1HB       GLU  20  24.027   6.796  -1.649
  125   1HG   GLU  20          2HG       GLU  20  22.110   5.852  -2.922
  126   2HG   GLU  20          1HG       GLU  20  23.564   4.862  -3.027
  127    H    TYR  21           H        TYR  21  25.794   6.315   1.300
  128    HA   TYR  21           HA       TYR  21  28.085   6.410  -0.552
  129   1HB   TYR  21          2HB       TYR  21  27.318   8.135   1.790
  130   2HB   TYR  21          1HB       TYR  21  28.901   8.203   1.035
  131    HD1  TYR  21           HD1      TYR  21  29.082   8.874  -1.380
  132    HD2  TYR  21           HD2      TYR  21  25.430   9.197   0.814
  133    HE1  TYR  21           HE1      TYR  21  28.195  10.429  -3.072
  134    HE2  TYR  21           HE2      TYR  21  24.553  10.750  -0.882
  135    HH   TYR  21           HH       TYR  21  24.872  11.482  -3.050
  136    H    ILE  22           H        ILE  22  26.978   5.046   2.403
  137    HA   ILE  22           HA       ILE  22  29.677   4.486   3.375
  138    HB   ILE  22           HB       ILE  22  27.001   3.641   4.467
  139   1HG1  ILE  22          2HG1      ILE  22  28.682   6.103   5.140
  140   2HG1  ILE  22          1HG1      ILE  22  26.988   6.041   4.635
  141   1HG2  ILE  22          3HG2      ILE  22  28.795   2.196   5.230
  142   2HG2  ILE  22          2HG2      ILE  22  29.747   3.585   5.756
  143   3HG2  ILE  22          1HG2      ILE  22  28.232   3.194   6.572
  144   1HD1  ILE  22          2HD1      ILE  22  27.994   4.861   7.231
  145   2HD1  ILE  22          1HD1      ILE  22  27.336   6.491   7.075
  146   3HD1  ILE  22          3HD1      ILE  22  26.316   5.091   6.733
  147    H    GLY  23           H        GLY  23  30.193   3.243   1.499
  148   1HA   GLY  23          2HA       GLY  23  30.227   0.501   1.883
  149   2HA   GLY  23          1HA       GLY  23  28.867   0.822   0.808
  150    H    TYR  24           H        TYR  24  29.751   2.829  -0.765
  151    HA   TYR  24           HA       TYR  24  31.617   1.483  -2.503
  152   1HB   TYR  24          2HB       TYR  24  30.507   4.262  -2.820
  153   2HB   TYR  24          1HB       TYR  24  31.127   3.201  -4.074
  154    HD1  TYR  24           HD1      TYR  24  29.874   1.002  -4.506
  155    HD2  TYR  24           HD2      TYR  24  28.187   4.247  -2.276
  156    HE1  TYR  24           HE1      TYR  24  27.614   0.100  -4.880
  157    HE2  TYR  24           HE2      TYR  24  25.941   3.328  -2.661
  158    HH   TYR  24           HH       TYR  24  24.881   1.203  -3.187
  159    H    ALA  25           H        ALA  25  31.754   3.989  -0.120
  160    HA   ALA  25           HA       ALA  25  34.184   5.215  -1.016
  161   1HB   ALA  25          3HB       ALA  25  32.417   6.228   0.525
  162   2HB   ALA  25          2HB       ALA  25  33.127   5.240   1.805
  163   3HB   ALA  25          1HB       ALA  25  34.103   6.465   0.990
  164    H    TRP  26           H        TRP  26  33.391   2.411   0.853
  165    HA   TRP  26           HA       TRP  26  35.865   2.144   2.244
  166   1HB   TRP  26          2HB       TRP  26  33.404   0.657   1.984
  167   2HB   TRP  26          1HB       TRP  26  34.789  -0.416   1.870
  168    HD1  TRP  26          1HD       TRP  26  32.881   1.761   4.350
  169    HE1  TRP  26          1HE       TRP  26  33.850   1.374   6.679
  170    HE3  TRP  26          3HE       TRP  26  37.021  -1.009   3.153
  171    HZ2  TRP  26          2HZ       TRP  26  36.036   0.098   7.886
  172    HZ3  TRP  26          3HZ       TRP  26  38.512  -1.782   4.953
  173    HH2  TRP  26           HH2      TRP  26  38.026  -1.235   7.300
  174    H    ALA  27           H        ALA  27  34.630   0.942  -0.838
  175    HA   ALA  27           HA       ALA  27  36.649  -0.840  -1.523
  176   1HB   ALA  27          3HB       ALA  27  34.420   0.094  -2.760
  177   2HB   ALA  27          2HB       ALA  27  35.679   0.879  -3.715
  178   3HB   ALA  27          1HB       ALA  27  35.657  -0.880  -3.558
  179    H    MET  28           H        MET  28  36.500   2.678  -2.054
  180    HA   MET  28           HA       MET  28  38.881   2.970  -3.439
  181   1HB   MET  28          2HB       MET  28  37.163   4.711  -3.220
  182   2HB   MET  28          1HB       MET  28  37.521   4.851  -1.515
  183   1HG   MET  28          2HG       MET  28  39.994   5.254  -2.636
  184   2HG   MET  28          1HG       MET  28  38.924   6.023  -3.800
  185   1HE   MET  28          1HE       MET  28  39.620   5.407  -0.223
  186   2HE   MET  28          3HE       MET  28  39.819   7.014   0.492
  187   3HE   MET  28          2HE       MET  28  38.225   6.265   0.427
  188    H    VAL  29           H        VAL  29  38.209   3.120   0.040
  189    HA   VAL  29           HA       VAL  29  40.747   3.775   0.975
  190    HB   VAL  29           HB       VAL  29  38.602   2.052   2.207
  191   1HG1  VAL  29          2HG1      VAL  29  41.039   3.309   3.463
  192   2HG1  VAL  29          1HG1      VAL  29  39.698   2.598   4.363
  193   3HG1  VAL  29          3HG1      VAL  29  40.691   1.585   3.315
  194   1HG2  VAL  29          2HG2      VAL  29  38.450   4.681   1.571
  195   2HG2  VAL  29          1HG2      VAL  29  37.597   3.941   2.928
  196   3HG2  VAL  29          3HG2      VAL  29  39.127   4.776   3.198
  197    H    VAL  30           H        VAL  30  39.357   0.646   0.109
  198    HA   VAL  30           HA       VAL  30  41.484  -0.972   0.997
  199    HB   VAL  30           HB       VAL  30  39.478  -1.396  -1.214
  200   1HG1  VAL  30          2HG1      VAL  30  41.423  -2.885  -1.366
  201   2HG1  VAL  30          1HG1      VAL  30  41.134  -3.410   0.294
  202   3HG1  VAL  30          3HG1      VAL  30  39.944  -3.758  -0.961
  203   1HG2  VAL  30          2HG2      VAL  30  38.852  -0.991   1.352
  204   2HG2  VAL  30          1HG2      VAL  30  37.976  -2.130   0.327
  205   3HG2  VAL  30          3HG2      VAL  30  39.225  -2.715   1.429
  206    H    VAL  31           H        VAL  31  40.983   0.983  -1.839
  207    HA   VAL  31           HA       VAL  31  43.074  -0.223  -3.390
  208    HB   VAL  31           HB       VAL  31  41.499   2.323  -3.707
  209   1HG1  VAL  31          1HG1      VAL  31  43.903   1.518  -4.996
  210   2HG1  VAL  31          3HG1      VAL  31  42.587   1.443  -6.168
  211   3HG1  VAL  31          2HG1      VAL  31  42.910   2.945  -5.298
  212   1HG2  VAL  31          1HG2      VAL  31  40.318   0.079  -3.880
  213   2HG2  VAL  31          3HG2      VAL  31  40.177   1.141  -5.282
  214   3HG2  VAL  31          2HG2      VAL  31  41.301  -0.220  -5.315
  215    H    ILE  32           H        ILE  32  42.769   2.331  -1.091
  216    HA   ILE  32           HA       ILE  32  45.242   3.644  -1.729
  217    HB   ILE  32           HB       ILE  32  43.510   3.766   0.739
  218   1HG1  ILE  32          2HG1      ILE  32  43.746   5.571  -1.676
  219   2HG1  ILE  32          1HG1      ILE  32  42.362   4.575  -1.237
  220   1HG2  ILE  32          3HG2      ILE  32  45.878   4.400   1.155
  221   2HG2  ILE  32          2HG2      ILE  32  45.734   5.632  -0.101
  222   3HG2  ILE  32          1HG2      ILE  32  44.751   5.742   1.361
  223   1HD1  ILE  32          2HD1      ILE  32  43.275   6.490   0.833
  224   2HD1  ILE  32          1HD1      ILE  32  42.561   7.198  -0.615
  225   3HD1  ILE  32          3HD1      ILE  32  41.639   6.045   0.349
  226    H    VAL  33           H        VAL  33  44.308   0.880   0.113
  227    HA   VAL  33           HA       VAL  33  46.496   0.762   1.905
  228    HB   VAL  33           HB       VAL  33  44.480  -1.194   0.838
  229   1HG1  VAL  33          1HG1      VAL  33  46.693  -1.791   2.790
  230   2HG1  VAL  33          3HG1      VAL  33  45.299  -2.830   2.491
  231   3HG1  VAL  33          2HG1      VAL  33  46.455  -2.511   1.198
  232   1HG2  VAL  33          1HG2      VAL  33  43.827   0.557   2.497
  233   2HG2  VAL  33          3HG2      VAL  33  43.559  -1.099   3.043
  234   3HG2  VAL  33          2HG2      VAL  33  44.947  -0.188   3.641
  235    H    GLY  34           H        GLY  34  45.806  -1.024  -1.115
  236   1HA   GLY  34          2HA       GLY  34  48.173  -2.407  -1.411
  237   2HA   GLY  34          1HA       GLY  34  47.218  -1.805  -2.766
  238    H    ALA  35           H        ALA  35  47.583   0.996  -1.817
  239    HA   ALA  35           HA       ALA  35  49.867   1.661  -3.354
  240   1HB   ALA  35          2HB       ALA  35  47.708   3.042  -2.228
  241   2HB   ALA  35          1HB       ALA  35  49.144   3.735  -1.472
  242   3HB   ALA  35          3HB       ALA  35  48.992   3.719  -3.230
  243    H    THR  36           H        THR  36  49.354   0.982   0.018
  244    HA   THR  36           HA       THR  36  51.770   2.116   1.005
  245    HB   THR  36           HB       THR  36  49.603   1.312   2.252
  246    HG1  THR  36           HG1      THR  36  50.792   1.982   3.829
  247   1HG2  THR  36          3HG2      THR  36  49.977  -1.108   1.567
  248   2HG2  THR  36          2HG2      THR  36  51.335  -1.120   2.690
  249   3HG2  THR  36          1HG2      THR  36  49.701  -0.825   3.285
  250    H    ILE  37           H        ILE  37  50.851  -1.090  -0.150
  251    HA   ILE  37           HA       ILE  37  53.213  -2.477   0.424
  252    HB   ILE  37           HB       ILE  37  51.303  -2.816  -1.884
  253   1HG1  ILE  37          2HG1      ILE  37  50.095  -2.860   0.186
  254   2HG1  ILE  37          1HG1      ILE  37  50.258  -4.512  -0.393
  255   1HG2  ILE  37          3HG2      ILE  37  53.567  -4.009  -1.970
  256   2HG2  ILE  37          2HG2      ILE  37  52.963  -4.973  -0.619
  257   3HG2  ILE  37          1HG2      ILE  37  52.112  -4.989  -2.166
  258   1HD1  ILE  37          3HD1      ILE  37  52.509  -4.210   1.162
  259   2HD1  ILE  37          2HD1      ILE  37  51.296  -3.284   2.049
  260   3HD1  ILE  37          1HD1      ILE  37  51.009  -4.985   1.676
  261    H    GLY  38           H        GLY  38  52.461  -0.131  -2.019
  262   1HA   GLY  38          2HA       GLY  38  54.569  -0.752  -3.846
  263   2HA   GLY  38          1HA       GLY  38  53.657   0.757  -3.773
  264    H    ILE  39           H        ILE  39  54.157   1.991  -1.635
  265    HA   ILE  39           HA       ILE  39  56.784   2.938  -1.812
  266    HB   ILE  39           HB       ILE  39  54.850   3.173   0.488
  267   1HG1  ILE  39          2HG1      ILE  39  55.152   5.459  -1.312
  268   2HG1  ILE  39          1HG1      ILE  39  54.498   4.036  -2.110
  269   1HG2  ILE  39          2HG2      ILE  39  57.530   3.996   0.232
  270   2HG2  ILE  39          1HG2      ILE  39  56.536   5.445   0.093
  271   3HG2  ILE  39          3HG2      ILE  39  56.385   4.407   1.510
  272   1HD1  ILE  39          3HD1      ILE  39  53.318   4.587   0.525
  273   2HD1  ILE  39          2HD1      ILE  39  53.015   5.833  -0.688
  274   3HD1  ILE  39          1HD1      ILE  39  52.535   4.163  -0.999
  275    H    LYS  40           H        LYS  40  55.300   0.583   0.373
  276    HA   LYS  40           HA       LYS  40  57.425   0.252   2.168
  277   1HB   LYS  40          2HB       LYS  40  54.959  -1.067   1.598
  278   2HB   LYS  40          1HB       LYS  40  56.229  -2.269   1.682
  279   1HG   LYS  40          2HG       LYS  40  55.706  -2.215   3.882
  280   2HG   LYS  40          1HG       LYS  40  56.916  -0.940   3.872
  281   1HD   LYS  40          2HD       LYS  40  53.907  -0.599   3.758
  282   2HD   LYS  40          1HD       LYS  40  54.940  -0.243   5.130
  283   1HE   LYS  40          2HE       LYS  40  55.817   1.683   4.132
  284   2HE   LYS  40          1HE       LYS  40  55.362   1.170   2.502
  285   1HZ   LYS  40          2HZ       LYS  40  52.981   1.298   3.551
  286   2HZ   LYS  40          1HZ       LYS  40  53.740   2.414   4.584
  287   3HZ   LYS  40          3HZ       LYS  40  53.746   2.672   2.907
  288    H    LEU  41           H        LEU  41  56.700  -1.420  -0.863
  289    HA   LEU  41           HA       LEU  41  58.935  -3.138  -0.875
  290   1HB   LEU  41          2HB       LEU  41  57.134  -2.053  -3.022
  291   2HB   LEU  41          1HB       LEU  41  58.466  -3.132  -3.404
  292    HG   LEU  41           HG       LEU  41  56.392  -3.813  -1.331
  293   1HD1  LEU  41          2HD1      LEU  41  56.308  -4.380  -4.294
  294   2HD1  LEU  41          1HD1      LEU  41  55.292  -5.188  -3.099
  295   3HD1  LEU  41          3HD1      LEU  41  55.144  -3.448  -3.349
  296   1HD2  LEU  41          2HD2      LEU  41  58.656  -5.043  -1.551
  297   2HD2  LEU  41          1HD2      LEU  41  57.182  -6.005  -1.456
  298   3HD2  LEU  41          3HD2      LEU  41  57.962  -5.742  -3.016
  299    H    PHE  42           H        PHE  42  58.449   0.128  -2.122
  300    HA   PHE  42           HA       PHE  42  60.751   0.468  -3.634
  301   1HB   PHE  42          2HB       PHE  42  58.770   2.054  -3.267
  302   2HB   PHE  42          1HB       PHE  42  59.643   2.612  -1.847
  303    HD1  PHE  42           HD1      PHE  42  61.983   3.538  -2.159
  304    HD2  PHE  42           HD2      PHE  42  59.305   2.835  -5.408
  305    HE1  PHE  42           HE1      PHE  42  63.310   5.052  -3.581
  306    HE2  PHE  42           HE2      PHE  42  60.632   4.348  -6.830
  307    HZ   PHE  42           HZ       PHE  42  62.635   5.457  -5.917
  308    H    LYS  43           H        LYS  43  60.321   0.609  -0.147
  309    HA   LYS  43           HA       LYS  43  62.909   1.683   0.402
  310   1HB   LYS  43          2HB       LYS  43  60.912   0.262   2.151
  311   2HB   LYS  43          1HB       LYS  43  62.395   1.001   2.754
  312   1HG   LYS  43          2HG       LYS  43  60.637   2.694   1.040
  313   2HG   LYS  43          1HG       LYS  43  60.040   2.315   2.644
  314   1HD   LYS  43          2HD       LYS  43  61.594   3.600   3.700
  315   2HD   LYS  43          1HD       LYS  43  62.848   3.271   2.514
  316   1HE   LYS  43          2HE       LYS  43  61.665   5.659   2.737
  317   2HE   LYS  43          1HE       LYS  43  62.262   5.045   1.199
  318   1HZ   LYS  43          1HZ       LYS  43  59.494   4.510   2.078
  319   2HZ   LYS  43          3HZ       LYS  43  59.896   5.971   1.316
  320   3HZ   LYS  43          2HZ       LYS  43  60.134   4.498   0.505
  321    H    LYS  44           H        LYS  44  61.538  -1.570   0.941
  322    HA   LYS  44           HA       LYS  44  63.759  -2.884   1.847
  323   1HB   LYS  44          2HB       LYS  44  61.528  -3.886   1.676
  324   2HB   LYS  44          1HB       LYS  44  61.697  -3.986  -0.060
  325   1HG   LYS  44          2HG       LYS  44  63.851  -5.225   1.573
  326   2HG   LYS  44          1HG       LYS  44  62.274  -6.029   1.575
  327   1HD   LYS  44          2HD       LYS  44  63.857  -5.314  -0.926
  328   2HD   LYS  44          1HD       LYS  44  63.725  -6.952  -0.265
  329   1HE   LYS  44          2HE       LYS  44  61.541  -5.241  -1.481
  330   2HE   LYS  44          1HE       LYS  44  62.129  -6.804  -2.037
  331   1HZ   LYS  44          1HZ       LYS  44  61.271  -7.771   0.038
  332   2HZ   LYS  44          3HZ       LYS  44  60.625  -6.262   0.467
  333   3HZ   LYS  44          2HZ       LYS  44  60.048  -7.073  -0.911
  334    H    PHE  45           H        PHE  45  62.821  -2.615  -1.591
  335    HA   PHE  45           HA       PHE  45  64.962  -3.940  -2.756
  336   1HB   PHE  45          2HB       PHE  45  63.135  -1.753  -3.602
  337   2HB   PHE  45          1HB       PHE  45  64.585  -2.009  -4.541
  338    HD1  PHE  45           HD1      PHE  45  64.934  -4.071  -5.842
  339    HD2  PHE  45           HD2      PHE  45  61.366  -3.465  -3.548
  340    HE1  PHE  45           HE1      PHE  45  63.849  -5.936  -7.013
  341    HE2  PHE  45           HE2      PHE  45  60.297  -5.334  -4.730
  342    HZ   PHE  45           HZ       PHE  45  61.536  -6.570  -6.461
  343    H    THR  46           H        THR  46  64.793  -0.574  -1.657
  344    HA   THR  46           HA       THR  46  67.502  -0.039  -2.512
  345    HB   THR  46           HB       THR  46  67.078   2.173  -1.577
  346    HG1  THR  46           HG1      THR  46  65.019   2.588  -0.667
  347   1HG2  THR  46          3HG2      THR  46  65.662   0.930  -3.702
  348   2HG2  THR  46          2HG2      THR  46  64.571   2.070  -2.912
  349   3HG2  THR  46          1HG2      THR  46  66.124   2.626  -3.540
  350    H    SER  47           H        SER  47  66.063  -1.451   0.212
  351    HA   SER  47           HA       SER  47  68.496  -0.934   1.802
  352   1HB   SER  47          2HB       SER  47  65.639  -0.713   2.543
  353   2HB   SER  47          1HB       SER  47  66.702  -1.464   3.729
  354    HG   SER  47           HG       SER  47  66.945   1.114   2.540
  355    H    LYS  48           H        LYS  48  67.960  -3.114  -0.041
  356    HA   LYS  48           HA       LYS  48  67.046  -5.471   0.975
  357   1HB   LYS  48          2HB       LYS  48  69.131  -4.712  -0.962
  358   2HB   LYS  48          1HB       LYS  48  69.289  -6.333  -0.292
  359   1HG   LYS  48          2HG       LYS  48  67.093  -6.941  -1.086
  360   2HG   LYS  48          1HG       LYS  48  66.751  -5.272  -1.558
  361   1HD   LYS  48          2HD       LYS  48  67.781  -5.529  -3.520
  362   2HD   LYS  48          1HD       LYS  48  69.197  -6.250  -2.760
  363   1HE   LYS  48          2HE       LYS  48  66.630  -7.716  -3.398
  364   2HE   LYS  48          1HE       LYS  48  68.103  -7.788  -4.360
  365   1HZ   LYS  48          3HZ       LYS  48  69.245  -8.636  -2.351
  366   2HZ   LYS  48          2HZ       LYS  48  67.740  -8.713  -1.566
  367   3HZ   LYS  48          1HZ       LYS  48  68.036  -9.673  -2.935
  368    H    ALA  49           H        ALA  49  70.505  -4.618   1.090
  369    HA   ALA  49           HA       ALA  49  71.057  -4.839   3.707
  370   1HB   ALA  49          3HB       ALA  49  70.281  -7.423   2.692
  371   2HB   ALA  49          2HB       ALA  49  71.949  -7.460   3.272
  372   3HB   ALA  49          1HB       ALA  49  70.649  -6.946   4.351
  373    H    SER  50           H        SER  50  73.348  -5.243   4.178
  374    HA   SER  50           HA       SER  50  75.566  -4.883   3.724
  375   1HB   SER  50          2HB       SER  50  76.536  -6.324   2.195
  376   2HB   SER  50          1HB       SER  50  75.003  -7.129   2.512
  377    HG   SER  50           HG       SER  50  75.877  -6.493   0.182
   
  No H/Q in entry =         377
  Start of MODEL   20
    1   1H    ALA   1          3H        ALA   1  21.999 -13.650  34.946
    2   2H    ALA   1          2H        ALA   1  21.797 -15.027  35.920
    3   3H    ALA   1          1H        ALA   1  20.663 -13.764  35.984
    4    HA   ALA   1           HA       ALA   1  21.834 -12.599  37.435
    5   1HB   ALA   1          3HB       ALA   1  23.418 -15.185  37.503
    6   2HB   ALA   1          2HB       ALA   1  23.562 -13.910  38.714
    7   3HB   ALA   1          1HB       ALA   1  22.030 -14.770  38.513
    8    H    GLU   2           H        GLU   2  22.910 -10.862  36.812
    9    HA   GLU   2           HA       GLU   2  24.525  -9.491  35.928
   10   1HB   GLU   2          2HB       GLU   2  25.750 -11.277  37.659
   11   2HB   GLU   2          1HB       GLU   2  26.745 -11.351  36.206
   12   1HG   GLU   2          2HG       GLU   2  27.683  -9.610  37.499
   13   2HG   GLU   2          1HG       GLU   2  26.729  -8.792  36.261
   14    H    GLY   3           H        GLY   3  23.971  -9.420  33.776
   15   1HA   GLY   3          2HA       GLY   3  25.707 -10.058  31.802
   16   2HA   GLY   3          1HA       GLY   3  24.717 -11.508  31.938
   17    H    ASP   4           H        ASP   4  24.976  -8.479  30.520
   18    HA   ASP   4           HA       ASP   4  22.117  -8.214  30.001
   19   1HB   ASP   4          2HB       ASP   4  23.122  -6.119  28.726
   20   2HB   ASP   4          1HB       ASP   4  22.803  -6.086  30.451
   21    H    ASP   5           H        ASP   5  24.904  -7.558  27.927
   22    HA   ASP   5           HA       ASP   5  24.523  -9.666  26.117
   23   1HB   ASP   5          2HB       ASP   5  22.399  -8.175  25.818
   24   2HB   ASP   5          1HB       ASP   5  23.497  -7.117  24.930
   25    HA   PRO   6           HA       PRO   6  28.289  -7.108  25.439
   26   1HB   PRO   6          2HB       PRO   6  30.105  -8.828  26.468
   27   2HB   PRO   6          1HB       PRO   6  29.225  -7.644  27.447
   28   1HG   PRO   6          2HG       PRO   6  28.953 -10.550  27.374
   29   2HG   PRO   6          1HG       PRO   6  28.384  -9.397  28.591
   30   1HD   PRO   6          2HD       PRO   6  26.883 -10.666  26.473
   31   2HD   PRO   6          1HD       PRO   6  26.293  -9.613  27.775
   32    H    ALA   7           H        ALA   7  26.911  -9.637  24.026
   33    HA   ALA   7           HA       ALA   7  29.239 -10.590  22.518
   34   1HB   ALA   7          2HB       ALA   7  26.363 -11.513  22.606
   35   2HB   ALA   7          1HB       ALA   7  27.597 -12.212  21.555
   36   3HB   ALA   7          3HB       ALA   7  27.763 -12.324  23.309
   37    H    LYS   8           H        LYS   8  28.809  -7.992  21.964
   38    HA   LYS   8           HA       LYS   8  28.139  -6.412  20.445
   39   1HB   LYS   8          2HB       LYS   8  28.832  -8.378  18.390
   40   2HB   LYS   8          1HB       LYS   8  29.279  -6.698  18.550
   41   1HG   LYS   8          2HG       LYS   8  30.939  -7.179  20.188
   42   2HG   LYS   8          1HG       LYS   8  30.360  -8.830  20.390
   43   1HD   LYS   8          2HD       LYS   8  31.940  -7.631  18.120
   44   2HD   LYS   8          1HD       LYS   8  32.303  -9.058  19.081
   45   1HE   LYS   8          2HE       LYS   8  30.288  -8.762  16.850
   46   2HE   LYS   8          1HE       LYS   8  31.641  -9.886  16.966
   47   1HZ   LYS   8          1HZ       LYS   8  30.018 -10.349  19.170
   48   2HZ   LYS   8          3HZ       LYS   8  28.982 -10.228  17.833
   49   3HZ   LYS   8          2HZ       LYS   8  30.253 -11.353  17.822
   50    H    ALA   9           H        ALA   9  25.867  -6.769  20.931
   51    HA   ALA   9           HA       ALA   9  24.273  -8.270  19.021
   52   1HB   ALA   9          1HB       ALA   9  23.652  -6.712  21.514
   53   2HB   ALA   9          3HB       ALA   9  22.368  -7.223  20.416
   54   3HB   ALA   9          2HB       ALA   9  23.401  -8.428  21.189
   55    H    ALA  10           H        ALA  10  24.250  -4.891  20.188
   56    HA   ALA  10           HA       ALA  10  22.726  -3.937  17.975
   57   1HB   ALA  10          3HB       ALA  10  24.277  -2.623  20.185
   58   2HB   ALA  10          2HB       ALA  10  23.593  -1.668  18.867
   59   3HB   ALA  10          1HB       ALA  10  22.536  -2.630  19.902
   60    H    PHE  11           H        PHE  11  26.173  -3.924  18.765
   61    HA   PHE  11           HA       PHE  11  27.082  -2.335  16.638
   62   1HB   PHE  11          2HB       PHE  11  28.264  -3.628  18.741
   63   2HB   PHE  11          1HB       PHE  11  28.834  -4.570  17.374
   64    HD1  PHE  11           HD2      PHE  11  28.563  -1.078  18.656
   65    HD2  PHE  11           HD1      PHE  11  30.628  -3.764  16.032
   66    HE1  PHE  11           HE2      PHE  11  30.236   0.658  18.180
   67    HE2  PHE  11           HE1      PHE  11  32.290  -2.016  15.566
   68    HZ   PHE  11           HZ       PHE  11  32.097   0.194  16.637
   69    H    ASN  12           H        ASN  12  26.224  -5.727  16.804
   70    HA   ASN  12           HA       ASN  12  27.211  -6.294  14.129
   71   1HB   ASN  12          2HB       ASN  12  27.132  -7.911  16.151
   72   2HB   ASN  12          1HB       ASN  12  25.429  -8.102  15.731
   73   1HD2  ASN  12          2HD2      ASN  12  26.311 -10.597  13.483
   74   2HD2  ASN  12          1HD2      ASN  12  25.372 -10.087  14.841
   75    H    SER  13           H        SER  13  24.257  -5.336  15.665
   76    HA   SER  13           HA       SER  13  22.584  -6.079  13.404
   77   1HB   SER  13          2HB       SER  13  22.093  -5.750  16.087
   78   2HB   SER  13          1HB       SER  13  21.447  -4.261  15.398
   79    HG   SER  13           HG       SER  13  20.260  -5.610  13.916
   80    H    LEU  14           H        LEU  14  24.227  -3.289  14.675
   81    HA   LEU  14           HA       LEU  14  22.840  -1.267  13.281
   82   1HB   LEU  14          2HB       LEU  14  24.329  -0.799  15.160
   83   2HB   LEU  14          1HB       LEU  14  25.703  -1.370  14.218
   84    HG   LEU  14           HG       LEU  14  24.921   0.450  12.491
   85   1HD1  LEU  14          1HD1      LEU  14  22.810   0.943  13.784
   86   2HD1  LEU  14          3HD1      LEU  14  23.824   1.699  15.016
   87   3HD1  LEU  14          2HD1      LEU  14  23.783   2.357  13.379
   88   1HD2  LEU  14          1HD2      LEU  14  26.386   1.046  15.065
   89   2HD2  LEU  14          3HD2      LEU  14  27.063   0.738  13.459
   90   3HD2  LEU  14          2HD2      LEU  14  26.204   2.244  13.786
   91    H    GLN  15           H        GLN  15  25.637  -3.254  12.418
   92    HA   GLN  15           HA       GLN  15  26.192  -1.902   9.972
   93   1HB   GLN  15          2HB       GLN  15  27.967  -3.124  10.963
   94   2HB   GLN  15          1HB       GLN  15  26.996  -4.581  11.093
   95   1HG   GLN  15          2HG       GLN  15  26.969  -4.766   8.630
   96   2HG   GLN  15          1HG       GLN  15  27.984  -3.331   8.521
   97   1HE2  GLN  15          2HD2      GLN  15  30.584  -5.710   8.351
   98   2HE2  GLN  15          1HD2      GLN  15  29.529  -4.692   7.435
   99    H    ALA  16           H        ALA  16  24.459  -4.901  10.763
  100    HA   ALA  16           HA       ALA  16  23.842  -5.763   8.203
  101   1HB   ALA  16          3HB       ALA  16  23.349  -6.846  10.508
  102   2HB   ALA  16          2HB       ALA  16  21.826  -5.959  10.410
  103   3HB   ALA  16          1HB       ALA  16  22.237  -7.147   9.171
  104    H    SER  17           H        SER  17  22.634  -3.061   9.939
  105    HA   SER  17           HA       SER  17  20.402  -2.664   8.078
  106   1HB   SER  17          2HB       SER  17  21.174  -0.957  10.439
  107   2HB   SER  17          1HB       SER  17  19.637  -0.973   9.581
  108    HG   SER  17           HG       SER  17  20.723  -3.213  10.971
  109    H    ALA  18           H        ALA  18  23.251  -0.940   9.323
  110    HA   ALA  18           HA       ALA  18  23.094   0.985   7.120
  111   1HB   ALA  18          1HB       ALA  18  24.479   0.858   9.745
  112   2HB   ALA  18          3HB       ALA  18  25.256   1.780   8.458
  113   3HB   ALA  18          2HB       ALA  18  23.623   2.201   8.982
  114    H    THR  19           H        THR  19  23.576  -1.433   6.116
  115    HA   THR  19           HA       THR  19  26.453  -1.815   5.824
  116    HB   THR  19           HB       THR  19  24.814  -3.721   6.126
  117    HG1  THR  19           HG1      THR  19  26.168  -4.984   5.013
  118   1HG2  THR  19          3HG2      THR  19  23.672  -2.568   3.754
  119   2HG2  THR  19          2HG2      THR  19  24.252  -4.192   3.386
  120   3HG2  THR  19          1HG2      THR  19  23.097  -3.945   4.698
  121    H    GLU  20           H        GLU  20  24.887   0.524   4.682
  122    HA   GLU  20           HA       GLU  20  25.257   0.140   1.828
  123   1HB   GLU  20          2HB       GLU  20  23.522   1.679   3.426
  124   2HB   GLU  20          1HB       GLU  20  24.540   2.819   2.551
  125   1HG   GLU  20          2HG       GLU  20  22.449   2.226   1.334
  126   2HG   GLU  20          1HG       GLU  20  23.912   1.833   0.433
  127    H    TYR  21           H        TYR  21  26.927   1.401   4.499
  128    HA   TYR  21           HA       TYR  21  28.758   2.901   2.746
  129   1HB   TYR  21          2HB       TYR  21  28.234   3.158   5.706
  130   2HB   TYR  21          1HB       TYR  21  29.504   4.010   4.848
  131    HD1  TYR  21           HD1      TYR  21  28.887   5.649   3.048
  132    HD2  TYR  21           HD2      TYR  21  25.980   3.913   5.657
  133    HE1  TYR  21           HE1      TYR  21  27.287   7.425   2.457
  134    HE2  TYR  21           HE2      TYR  21  24.387   5.692   5.057
  135    HH   TYR  21           HH       TYR  21  24.808   8.298   4.101
  136    H    ILE  22           H        ILE  22  28.494   0.171   4.863
  137    HA   ILE  22           HA       ILE  22  31.393  -0.100   5.110
  138    HB   ILE  22           HB       ILE  22  29.241  -1.964   6.076
  139   1HG1  ILE  22          2HG1      ILE  22  30.349   0.532   7.413
  140   2HG1  ILE  22          1HG1      ILE  22  28.671  -0.013   7.296
  141   1HG2  ILE  22          2HG2      ILE  22  31.547  -2.877   5.897
  142   2HG2  ILE  22          1HG2      ILE  22  32.092  -1.667   7.060
  143   3HG2  ILE  22          3HG2      ILE  22  30.918  -2.892   7.546
  144   1HD1  ILE  22          3HD1      ILE  22  29.670  -2.046   8.741
  145   2HD1  ILE  22          2HD1      ILE  22  30.775  -0.767   9.246
  146   3HD1  ILE  22          1HD1      ILE  22  29.035  -0.569   9.467
  147    H    GLY  23           H        GLY  23  31.338  -0.241   2.685
  148   1HA   GLY  23          2HA       GLY  23  31.878  -2.914   1.892
  149   2HA   GLY  23          1HA       GLY  23  30.337  -2.378   1.222
  150    H    TYR  24           H        TYR  24  30.634   0.106   0.465
  151    HA   TYR  24           HA       TYR  24  32.408  -0.035  -1.791
  152   1HB   TYR  24          2HB       TYR  24  30.937   2.426  -0.908
  153   2HB   TYR  24          1HB       TYR  24  31.364   1.925  -2.536
  154    HD1  TYR  24           HD1      TYR  24  30.240  -0.180  -3.474
  155    HD2  TYR  24           HD2      TYR  24  28.796   1.884  -0.010
  156    HE1  TYR  24           HE1      TYR  24  28.043  -1.253  -3.736
  157    HE2  TYR  24           HE2      TYR  24  26.610   0.798  -0.289
  158    HH   TYR  24           HH       TYR  24  25.645  -0.731  -3.070
  159    H    ALA  25           H        ALA  25  32.502   1.364   1.380
  160    HA   ALA  25           HA       ALA  25  34.497   3.332   0.924
  161   1HB   ALA  25          2HB       ALA  25  33.421   1.927   3.341
  162   2HB   ALA  25          1HB       ALA  25  34.863   2.935   3.479
  163   3HB   ALA  25          3HB       ALA  25  33.345   3.638   2.917
  164    H    TRP  26           H        TRP  26  34.595  -0.105   1.300
  165    HA   TRP  26           HA       TRP  26  37.340  -0.308   2.093
  166   1HB   TRP  26          2HB       TRP  26  35.140  -2.107   1.561
  167   2HB   TRP  26          1HB       TRP  26  36.618  -2.680   0.807
  168    HD1  TRP  26          1HD       TRP  26  35.028  -2.097   4.239
  169    HE1  TRP  26          1HE       TRP  26  36.518  -3.179   6.007
  170    HE3  TRP  26          3HE       TRP  26  39.088  -3.317   1.365
  171    HZ2  TRP  26          2HZ       TRP  26  39.045  -4.384   6.208
  172    HZ3  TRP  26          3HZ       TRP  26  41.012  -4.433   2.414
  173    HH2  TRP  26           HH2      TRP  26  40.994  -4.964   4.815
  174    H    ALA  27           H        ALA  27  35.618  -0.800  -0.983
  175    HA   ALA  27           HA       ALA  27  37.773  -1.425  -2.612
  176   1HB   ALA  27          1HB       ALA  27  35.234   0.097  -3.200
  177   2HB   ALA  27          3HB       ALA  27  36.389  -0.366  -4.451
  178   3HB   ALA  27          2HB       ALA  27  35.573  -1.610  -3.502
  179    H    MET  28           H        MET  28  36.698   1.689  -1.404
  180    HA   MET  28           HA       MET  28  38.422   3.252  -3.046
  181   1HB   MET  28          2HB       MET  28  36.206   3.753  -1.539
  182   2HB   MET  28          1HB       MET  28  37.477   4.346  -0.479
  183   1HG   MET  28          2HG       MET  28  36.541   6.086  -1.953
  184   2HG   MET  28          1HG       MET  28  38.264   5.851  -2.172
  185   1HE   MET  28          2HE       MET  28  35.051   4.025  -3.335
  186   2HE   MET  28          1HE       MET  28  35.391   3.683  -5.031
  187   3HE   MET  28          3HE       MET  28  36.326   2.884  -3.758
  188    H    VAL  29           H        VAL  29  38.472   2.124   0.316
  189    HA   VAL  29           HA       VAL  29  40.820   3.380   1.156
  190    HB   VAL  29           HB       VAL  29  39.617   0.739   1.978
  191   1HG1  VAL  29          2HG1      VAL  29  42.028   2.153   2.863
  192   2HG1  VAL  29          1HG1      VAL  29  40.937   1.675   4.165
  193   3HG1  VAL  29          3HG1      VAL  29  41.569   0.460   3.053
  194   1HG2  VAL  29          2HG2      VAL  29  38.651   3.333   2.282
  195   2HG2  VAL  29          1HG2      VAL  29  38.126   1.900   3.168
  196   3HG2  VAL  29          3HG2      VAL  29  39.380   2.942   3.841
  197    H    VAL  30           H        VAL  30  40.341   0.147  -0.260
  198    HA   VAL  30           HA       VAL  30  42.919  -0.801  -0.204
  199    HB   VAL  30           HB       VAL  30  40.660  -1.803  -1.085
  200   1HG1  VAL  30          3HG1      VAL  30  40.911  -0.161  -3.122
  201   2HG1  VAL  30          2HG1      VAL  30  41.931  -1.454  -3.751
  202   3HG1  VAL  30          1HG1      VAL  30  40.247  -1.782  -3.336
  203   1HG2  VAL  30          1HG2      VAL  30  43.418  -2.538  -2.033
  204   2HG2  VAL  30          3HG2      VAL  30  42.541  -3.169  -0.637
  205   3HG2  VAL  30          2HG2      VAL  30  42.002  -3.565  -2.271
  206    H    VAL  31           H        VAL  31  41.516   1.569  -2.363
  207    HA   VAL  31           HA       VAL  31  43.728   1.678  -4.163
  208    HB   VAL  31           HB       VAL  31  41.386   3.492  -3.646
  209   1HG1  VAL  31          2HG1      VAL  31  43.703   3.796  -5.485
  210   2HG1  VAL  31          1HG1      VAL  31  42.106   4.291  -6.052
  211   3HG1  VAL  31          3HG1      VAL  31  42.792   5.020  -4.599
  212   1HG2  VAL  31          2HG2      VAL  31  41.341   1.061  -4.764
  213   2HG2  VAL  31          1HG2      VAL  31  40.283   2.370  -5.294
  214   3HG2  VAL  31          3HG2      VAL  31  41.761   2.012  -6.191
  215    H    ILE  32           H        ILE  32  42.963   3.085  -1.122
  216    HA   ILE  32           HA       ILE  32  44.977   5.184  -1.362
  217    HB   ILE  32           HB       ILE  32  43.243   4.432   0.988
  218   1HG1  ILE  32          2HG1      ILE  32  42.842   6.596  -1.084
  219   2HG1  ILE  32          1HG1      ILE  32  41.929   5.091  -0.997
  220   1HG2  ILE  32          3HG2      ILE  32  45.480   5.958   1.031
  221   2HG2  ILE  32          2HG2      ILE  32  44.259   7.179   0.664
  222   3HG2  ILE  32          1HG2      ILE  32  44.108   6.186   2.117
  223   1HD1  ILE  32          3HD1      ILE  32  41.938   6.454   1.562
  224   2HD1  ILE  32          2HD1      ILE  32  41.312   7.499   0.285
  225   3HD1  ILE  32          1HD1      ILE  32  40.570   5.925   0.582
  226    H    VAL  33           H        VAL  33  44.360   2.260   0.562
  227    HA   VAL  33           HA       VAL  33  46.809   2.378   2.004
  228    HB   VAL  33           HB       VAL  33  44.767   0.221   1.498
  229   1HG1  VAL  33          2HG1      VAL  33  47.314   0.134   3.058
  230   2HG1  VAL  33          1HG1      VAL  33  45.928  -0.853   3.529
  231   3HG1  VAL  33          3HG1      VAL  33  46.651  -1.050   1.932
  232   1HG2  VAL  33          1HG2      VAL  33  44.339   2.346   2.939
  233   2HG2  VAL  33          3HG2      VAL  33  43.862   0.764   3.559
  234   3HG2  VAL  33          2HG2      VAL  33  45.350   1.523   4.128
  235    H    GLY  34           H        GLY  34  45.676   0.676  -0.889
  236   1HA   GLY  34          2HA       GLY  34  47.824  -1.002  -1.400
  237   2HA   GLY  34          1HA       GLY  34  46.831  -0.254  -2.653
  238    H    ALA  35           H        ALA  35  47.546   2.458  -1.775
  239    HA   ALA  35           HA       ALA  35  49.764   2.922  -3.455
  240   1HB   ALA  35          3HB       ALA  35  47.860   4.521  -2.548
  241   2HB   ALA  35          2HB       ALA  35  49.061   4.868  -1.302
  242   3HB   ALA  35          1HB       ALA  35  49.442   5.159  -3.001
  243    H    THR  36           H        THR  36  49.466   2.217  -0.063
  244    HA   THR  36           HA       THR  36  52.097   3.067   0.687
  245    HB   THR  36           HB       THR  36  49.967   2.658   2.149
  246    HG1  THR  36           HG1      THR  36  52.017   3.361   2.907
  247   1HG2  THR  36          3HG2      THR  36  50.186   0.090   1.423
  248   2HG2  THR  36          2HG2      THR  36  51.221   0.058   2.852
  249   3HG2  THR  36          1HG2      THR  36  49.541   0.582   2.990
  250    H    ILE  37           H        ILE  37  50.668   0.106  -0.504
  251    HA   ILE  37           HA       ILE  37  52.800  -1.658   0.069
  252    HB   ILE  37           HB       ILE  37  50.725  -1.710  -2.115
  253   1HG1  ILE  37          2HG1      ILE  37  50.861  -2.937   0.622
  254   2HG1  ILE  37          1HG1      ILE  37  49.701  -1.753   0.040
  255   1HG2  ILE  37          2HG2      ILE  37  53.042  -3.307  -1.839
  256   2HG2  ILE  37          1HG2      ILE  37  51.663  -4.306  -1.377
  257   3HG2  ILE  37          3HG2      ILE  37  51.696  -3.529  -2.961
  258   1HD1  ILE  37          3HD1      ILE  37  49.179  -3.638  -1.745
  259   2HD1  ILE  37          2HD1      ILE  37  49.853  -4.689  -0.497
  260   3HD1  ILE  37          1HD1      ILE  37  48.447  -3.684  -0.140
  261    H    GLY  38           H        GLY  38  52.269   0.713  -2.420
  262   1HA   GLY  38          2HA       GLY  38  54.286  -0.206  -4.236
  263   2HA   GLY  38          1HA       GLY  38  53.513   1.382  -4.243
  264    H    ILE  39           H        ILE  39  54.208   1.877  -1.437
  265    HA   ILE  39           HA       ILE  39  56.954   2.795  -1.886
  266    HB   ILE  39           HB       ILE  39  55.460   3.360   0.628
  267   1HG1  ILE  39          2HG1      ILE  39  53.718   3.827  -0.915
  268   2HG1  ILE  39          1HG1      ILE  39  54.437   5.358  -0.472
  269   1HG2  ILE  39          3HG2      ILE  39  57.822   4.118   0.070
  270   2HG2  ILE  39          2HG2      ILE  39  57.065   5.232  -1.072
  271   3HG2  ILE  39          1HG2      ILE  39  56.692   5.344   0.647
  272   1HD1  ILE  39          2HD1      ILE  39  55.810   5.233  -2.577
  273   2HD1  ILE  39          1HD1      ILE  39  54.823   3.847  -3.052
  274   3HD1  ILE  39          3HD1      ILE  39  54.075   5.426  -2.824
  275    H    LYS  40           H        LYS  40  55.056   0.808   0.281
  276    HA   LYS  40           HA       LYS  40  57.041   0.140   2.138
  277   1HB   LYS  40          2HB       LYS  40  54.439  -0.341   2.007
  278   2HB   LYS  40          1HB       LYS  40  54.996  -1.870   1.337
  279   1HG   LYS  40          2HG       LYS  40  55.148  -2.507   3.489
  280   2HG   LYS  40          1HG       LYS  40  56.636  -1.562   3.502
  281   1HD   LYS  40          2HD       LYS  40  54.030  -0.184   4.002
  282   2HD   LYS  40          1HD       LYS  40  54.746  -1.139   5.300
  283   1HE   LYS  40          2HE       LYS  40  55.819   1.334   3.951
  284   2HE   LYS  40          1HE       LYS  40  55.578   1.032   5.671
  285   1HZ   LYS  40          3HZ       LYS  40  57.333  -0.828   5.236
  286   2HZ   LYS  40          2HZ       LYS  40  57.763   0.166   3.928
  287   3HZ   LYS  40          1HZ       LYS  40  57.813   0.774   5.511
  288    H    LEU  41           H        LEU  41  56.084  -1.354  -0.918
  289    HA   LEU  41           HA       LEU  41  57.801  -3.581  -0.833
  290   1HB   LEU  41          2HB       LEU  41  56.433  -2.046  -3.008
  291   2HB   LEU  41          1HB       LEU  41  57.606  -3.285  -3.437
  292    HG   LEU  41           HG       LEU  41  55.153  -3.671  -1.711
  293   1HD1  LEU  41          2HD1      LEU  41  55.755  -4.433  -4.563
  294   2HD1  LEU  41          1HD1      LEU  41  54.432  -5.136  -3.631
  295   3HD1  LEU  41          3HD1      LEU  41  54.452  -3.404  -3.963
  296   1HD2  LEU  41          3HD2      LEU  41  57.532  -5.304  -2.061
  297   2HD2  LEU  41          2HD2      LEU  41  56.196  -5.488  -0.924
  298   3HD2  LEU  41          1HD2      LEU  41  56.071  -6.161  -2.549
  299    H    PHE  42           H        PHE  42  58.251  -0.292  -2.032
  300    HA   PHE  42           HA       PHE  42  60.768  -0.582  -3.224
  301   1HB   PHE  42          2HB       PHE  42  59.335   1.391  -3.486
  302   2HB   PHE  42          1HB       PHE  42  59.609   1.812  -1.801
  303    HD1  PHE  42           HD2      PHE  42  61.295   1.341  -5.067
  304    HD2  PHE  42           HD1      PHE  42  61.509   3.036  -1.156
  305    HE1  PHE  42           HE2      PHE  42  63.315   2.590  -5.721
  306    HE2  PHE  42           HE1      PHE  42  63.531   4.285  -1.808
  307    HZ   PHE  42           HZ       PHE  42  64.435   4.062  -4.090
  308    H    LYS  43           H        LYS  43  59.901   0.393   0.073
  309    HA   LYS  43           HA       LYS  43  62.446   0.822   1.102
  310   1HB   LYS  43          2HB       LYS  43  59.901  -0.118   2.392
  311   2HB   LYS  43          1HB       LYS  43  61.347   0.323   3.304
  312   1HG   LYS  43          2HG       LYS  43  60.737   2.313   1.292
  313   2HG   LYS  43          1HG       LYS  43  59.352   2.040   2.332
  314   1HD   LYS  43          2HD       LYS  43  60.635   2.544   4.320
  315   2HD   LYS  43          1HD       LYS  43  62.127   2.621   3.390
  316   1HE   LYS  43          2HE       LYS  43  60.119   4.678   3.876
  317   2HE   LYS  43          1HE       LYS  43  61.788   4.835   3.332
  318   1HZ   LYS  43          3HZ       LYS  43  59.483   4.120   1.596
  319   2HZ   LYS  43          2HZ       LYS  43  60.192   5.660   1.701
  320   3HZ   LYS  43          1HZ       LYS  43  61.085   4.351   1.088
  321    H    LYS  44           H        LYS  44  60.946  -2.153   0.222
  322    HA   LYS  44           HA       LYS  44  62.707  -3.753   1.921
  323   1HB   LYS  44          2HB       LYS  44  60.339  -4.391   1.665
  324   2HB   LYS  44          1HB       LYS  44  60.588  -4.613  -0.053
  325   1HG   LYS  44          2HG       LYS  44  62.410  -6.087   1.785
  326   2HG   LYS  44          1HG       LYS  44  60.727  -6.629   1.699
  327   1HD   LYS  44          2HD       LYS  44  62.620  -6.342  -0.668
  328   2HD   LYS  44          1HD       LYS  44  62.079  -7.883   0.014
  329   1HE   LYS  44          2HE       LYS  44  60.489  -5.828  -1.531
  330   2HE   LYS  44          1HE       LYS  44  60.693  -7.542  -1.875
  331   1HZ   LYS  44          2HZ       LYS  44  59.472  -7.950   0.261
  332   2HZ   LYS  44          1HZ       LYS  44  59.089  -6.296   0.279
  333   3HZ   LYS  44          3HZ       LYS  44  58.546  -7.276  -0.994
  334    H    PHE  45           H        PHE  45  61.947  -3.423  -1.537
  335    HA   PHE  45           HA       PHE  45  64.048  -5.074  -2.473
  336   1HB   PHE  45          2HB       PHE  45  62.195  -3.068  -3.648
  337   2HB   PHE  45          1HB       PHE  45  63.632  -3.477  -4.558
  338    HD1  PHE  45           HD1      PHE  45  64.074  -5.930  -5.138
  339    HD2  PHE  45           HD2      PHE  45  60.300  -4.540  -3.639
  340    HE1  PHE  45           HE1      PHE  45  62.979  -7.967  -5.966
  341    HE2  PHE  45           HE2      PHE  45  59.229  -6.582  -4.478
  342    HZ   PHE  45           HZ       PHE  45  60.561  -8.296  -5.640
  343    H    THR  46           H        THR  46  63.876  -1.725  -1.540
  344    HA   THR  46           HA       THR  46  66.475  -1.109  -2.681
  345    HB   THR  46           HB       THR  46  66.014   1.132  -1.977
  346    HG1  THR  46           HG1      THR  46  63.886  -0.054  -0.543
  347   1HG2  THR  46          1HG2      THR  46  64.280  -0.391  -3.656
  348   2HG2  THR  46          3HG2      THR  46  63.333   0.848  -2.827
  349   3HG2  THR  46          2HG2      THR  46  64.736   1.310  -3.791
  350    H    SER  47           H        SER  47  65.422  -2.576   0.125
  351    HA   SER  47           HA       SER  47  67.450  -1.370   1.851
  352   1HB   SER  47          2HB       SER  47  64.970  -2.792   2.253
  353   2HB   SER  47          1HB       SER  47  66.273  -3.545   3.168
  354    HG   SER  47           HG       SER  47  66.166  -1.897   4.487
  355    H    LYS  48           H        LYS  48  66.584  -4.563   0.545
  356    HA   LYS  48           HA       LYS  48  68.645  -6.088   1.547
  357   1HB   LYS  48          2HB       LYS  48  68.275  -7.597  -0.285
  358   2HB   LYS  48          1HB       LYS  48  66.739  -6.919   0.197
  359   1HG   LYS  48          2HG       LYS  48  66.566  -6.738  -2.082
  360   2HG   LYS  48          1HG       LYS  48  67.214  -5.157  -1.665
  361   1HD   LYS  48          2HD       LYS  48  69.043  -5.536  -2.899
  362   2HD   LYS  48          1HD       LYS  48  69.371  -7.026  -2.019
  363   1HE   LYS  48          2HE       LYS  48  69.108  -7.459  -4.417
  364   2HE   LYS  48          1HE       LYS  48  67.831  -8.241  -3.490
  365   1HZ   LYS  48          1HZ       LYS  48  66.447  -6.234  -4.003
  366   2HZ   LYS  48          3HZ       LYS  48  67.649  -5.766  -5.103
  367   3HZ   LYS  48          2HZ       LYS  48  66.813  -7.226  -5.333
  368    H    ALA  49           H        ALA  49  68.595  -3.940  -1.201
  369    HA   ALA  49           HA       ALA  49  70.837  -4.651  -2.497
  370   1HB   ALA  49          1HB       ALA  49  69.205  -2.851  -3.148
  371   2HB   ALA  49          3HB       ALA  49  70.063  -1.774  -2.044
  372   3HB   ALA  49          2HB       ALA  49  70.900  -2.454  -3.442
  373    H    SER  50           H        SER  50  72.991  -3.602  -2.576
  374    HA   SER  50           HA       SER  50  74.404  -3.864  -0.190
  375   1HB   SER  50          2HB       SER  50  75.155  -3.672  -2.730
  376   2HB   SER  50          1HB       SER  50  75.430  -1.995  -2.272
  377    HG   SER  50           HG       SER  50  76.869  -2.690  -0.704
   
  No H/Q in entry =         377
  Start of MODEL   21
    1   1H    ALA   1          2H        ALA   1  41.489  18.795  24.749
    2   2H    ALA   1          1H        ALA   1  42.924  19.670  25.001
    3   3H    ALA   1          3H        ALA   1  42.227  19.615  23.456
    4    HA   ALA   1           HA       ALA   1  42.736  17.354  23.169
    5   1HB   ALA   1          2HB       ALA   1  45.095  18.745  24.477
    6   2HB   ALA   1          1HB       ALA   1  45.200  17.331  23.427
    7   3HB   ALA   1          3HB       ALA   1  44.637  18.874  22.777
    8    H    GLU   2           H        GLU   2  42.595  18.346  26.440
    9    HA   GLU   2           HA       GLU   2  43.827  16.436  27.933
   10   1HB   GLU   2          2HB       GLU   2  41.129  17.720  28.259
   11   2HB   GLU   2          1HB       GLU   2  41.779  16.610  29.463
   12   1HG   GLU   2          2HG       GLU   2  42.962  18.285  30.352
   13   2HG   GLU   2          1HG       GLU   2  43.830  18.472  28.827
   14    H    GLY   3           H        GLY   3  43.956  14.334  27.412
   15   1HA   GLY   3          2HA       GLY   3  41.689  12.640  27.677
   16   2HA   GLY   3          1HA       GLY   3  42.193  12.765  25.994
   17    H    ASP   4           H        ASP   4  42.554  11.012  28.764
   18    HA   ASP   4           HA       ASP   4  45.221  10.016  27.963
   19   1HB   ASP   4          2HB       ASP   4  45.282  11.080  30.164
   20   2HB   ASP   4          1HB       ASP   4  43.959  10.048  30.712
   21    H    ASP   5           H        ASP   5  43.592   8.829  26.467
   22    HA   ASP   5           HA       ASP   5  43.511   6.130  27.237
   23   1HB   ASP   5          2HB       ASP   5  41.578   7.154  28.593
   24   2HB   ASP   5          1HB       ASP   5  40.743   7.287  27.046
   25    HA   PRO   6           HA       PRO   6  43.131   6.050  22.821
   26   1HB   PRO   6          2HB       PRO   6  43.223   3.373  22.477
   27   2HB   PRO   6          1HB       PRO   6  44.638   4.347  22.899
   28   1HG   PRO   6          2HG       PRO   6  43.088   2.482  24.557
   29   2HG   PRO   6          1HG       PRO   6  44.759   3.036  24.740
   30   1HD   PRO   6          2HD       PRO   6  42.476   3.935  26.175
   31   2HD   PRO   6          1HD       PRO   6  44.130   4.565  26.267
   32    H    ALA   7           H        ALA   7  40.620   5.637  24.733
   33    HA   ALA   7           HA       ALA   7  38.779   3.892  23.734
   34   1HB   ALA   7          1HB       ALA   7  38.464   6.710  24.734
   35   2HB   ALA   7          3HB       ALA   7  37.070   5.743  24.248
   36   3HB   ALA   7          2HB       ALA   7  38.108   5.196  25.567
   37    H    LYS   8           H        LYS   8  40.006   6.762  22.171
   38    HA   LYS   8           HA       LYS   8  38.101   7.357  20.287
   39   1HB   LYS   8          2HB       LYS   8  39.903   8.203  18.928
   40   2HB   LYS   8          1HB       LYS   8  40.236   8.563  20.614
   41   1HG   LYS   8          2HG       LYS   8  41.709   6.538  20.699
   42   2HG   LYS   8          1HG       LYS   8  41.418   6.309  18.977
   43   1HD   LYS   8          2HD       LYS   8  43.580   7.538  19.699
   44   2HD   LYS   8          1HD       LYS   8  42.645   8.192  18.363
   45   1HE   LYS   8          2HE       LYS   8  43.488   9.870  20.089
   46   2HE   LYS   8          1HE       LYS   8  41.772   9.955  19.700
   47   1HZ   LYS   8          1HZ       LYS   8  42.142   8.147  21.820
   48   2HZ   LYS   8          3HZ       LYS   8  42.963   9.582  22.193
   49   3HZ   LYS   8          2HZ       LYS   8  41.306   9.625  21.822
   50    H    ALA   9           H        ALA   9  40.272   4.620  20.413
   51    HA   ALA   9           HA       ALA   9  40.116   3.691  17.787
   52   1HB   ALA   9          2HB       ALA   9  40.654   2.470  20.438
   53   2HB   ALA   9          1HB       ALA   9  40.243   1.371  19.120
   54   3HB   ALA   9          3HB       ALA   9  41.629   2.453  18.967
   55    H    ALA  10           H        ALA  10  37.817   3.526  20.407
   56    HA   ALA  10           HA       ALA  10  36.093   1.592  19.148
   57   1HB   ALA  10          1HB       ALA  10  36.368   2.436  21.703
   58   2HB   ALA  10          3HB       ALA  10  34.977   3.399  21.203
   59   3HB   ALA  10          2HB       ALA  10  34.918   1.639  21.090
   60    H    PHE  11           H        PHE  11  36.006   5.108  19.660
   61    HA   PHE  11           HA       PHE  11  33.569   5.693  18.470
   62   1HB   PHE  11          2HB       PHE  11  35.138   7.266  19.681
   63   2HB   PHE  11          1HB       PHE  11  36.047   7.382  18.184
   64    HD1  PHE  11           HD1      PHE  11  34.689   8.031  16.052
   65    HD2  PHE  11           HD2      PHE  11  33.354   8.781  20.053
   66    HE1  PHE  11           HE1      PHE  11  33.170   9.781  15.227
   67    HE2  PHE  11           HE2      PHE  11  31.843  10.526  19.212
   68    HZ   PHE  11           HZ       PHE  11  31.749  11.029  16.804
   69    H    ASN  12           H        ASN  12  36.753   5.300  16.968
   70    HA   ASN  12           HA       ASN  12  35.854   5.883  14.315
   71   1HB   ASN  12          2HB       ASN  12  38.269   5.902  15.352
   72   2HB   ASN  12          1HB       ASN  12  38.274   4.211  14.850
   73   1HD2  ASN  12          2HD2      ASN  12  39.359   6.738  12.151
   74   2HD2  ASN  12          1HD2      ASN  12  39.646   6.742  13.855
   75    H    SER  13           H        SER  13  35.851   3.072  16.331
   76    HA   SER  13           HA       SER  13  35.597   1.149  14.196
   77   1HB   SER  13          2HB       SER  13  36.267   0.951  16.832
   78   2HB   SER  13          1HB       SER  13  34.589   0.408  16.859
   79    HG   SER  13           HG       SER  13  35.783  -1.388  16.406
   80    H    LEU  14           H        LEU  14  33.464   3.066  16.182
   81    HA   LEU  14           HA       LEU  14  31.067   1.638  15.582
   82   1HB   LEU  14          2HB       LEU  14  31.252   3.063  17.555
   83   2HB   LEU  14          1HB       LEU  14  31.502   4.468  16.524
   84    HG   LEU  14           HG       LEU  14  29.222   3.838  15.465
   85   1HD1  LEU  14          3HD1      LEU  14  28.996   1.611  16.472
   86   2HD1  LEU  14          2HD1      LEU  14  28.971   2.333  18.084
   87   3HD1  LEU  14          1HD1      LEU  14  27.658   2.656  16.951
   88   1HD2  LEU  14          1HD2      LEU  14  29.494   5.001  18.239
   89   2HD2  LEU  14          3HD2      LEU  14  29.282   5.854  16.704
   90   3HD2  LEU  14          2HD2      LEU  14  27.948   4.931  17.397
   91    H    GLN  15           H        GLN  15  32.713   4.435  14.216
   92    HA   GLN  15           HA       GLN  15  30.746   5.274  12.394
   93   1HB   GLN  15          2HB       GLN  15  32.850   6.491  13.040
   94   2HB   GLN  15          1HB       GLN  15  33.734   5.391  11.991
   95   1HG   GLN  15          2HG       GLN  15  33.336   7.294  10.655
   96   2HG   GLN  15          1HG       GLN  15  32.115   6.130  10.139
   97   1HE2  GLN  15          2HD2      GLN  15  30.979   9.695  11.449
   98   2HE2  GLN  15          1HD2      GLN  15  32.573   9.270  10.933
   99    H    ALA  16           H        ALA  16  32.868   2.555  12.394
  100    HA   ALA  16           HA       ALA  16  32.781   2.041   9.566
  101   1HB   ALA  16          1HB       ALA  16  33.584   0.280  11.886
  102   2HB   ALA  16          3HB       ALA  16  33.820  -0.115  10.183
  103   3HB   ALA  16          2HB       ALA  16  34.662   1.264  10.894
  104    H    SER  17           H        SER  17  30.347   1.913  11.763
  105    HA   SER  17           HA       SER  17  29.187  -0.612  10.851
  106   1HB   SER  17          2HB       SER  17  27.460  -0.172  12.515
  107   2HB   SER  17          1HB       SER  17  29.058  -0.033  13.236
  108    HG   SER  17           HG       SER  17  27.278   1.728  13.500
  109    H    ALA  18           H        ALA  18  29.563   1.674   9.033
  110    HA   ALA  18           HA       ALA  18  26.806   2.464   8.434
  111   1HB   ALA  18          1HB       ALA  18  28.759   4.145   8.575
  112   2HB   ALA  18          3HB       ALA  18  29.262   3.469   7.025
  113   3HB   ALA  18          2HB       ALA  18  27.683   4.240   7.179
  114    H    THR  19           H        THR  19  26.509   0.189   7.815
  115    HA   THR  19           HA       THR  19  27.741  -1.170   5.788
  116    HB   THR  19           HB       THR  19  24.811  -1.090   6.396
  117    HG1  THR  19           HG1      THR  19  26.747  -2.976   7.230
  118   1HG2  THR  19          2HG2      THR  19  25.404  -2.086   4.154
  119   2HG2  THR  19          1HG2      THR  19  26.328  -3.309   5.029
  120   3HG2  THR  19          3HG2      THR  19  24.585  -3.185   5.267
  121    H    GLU  20           H        GLU  20  25.750   1.610   5.512
  122    HA   GLU  20           HA       GLU  20  25.181   1.330   2.722
  123   1HB   GLU  20          2HB       GLU  20  24.207   2.898   4.757
  124   2HB   GLU  20          1HB       GLU  20  25.159   4.049   3.829
  125   1HG   GLU  20          2HG       GLU  20  23.907   3.348   1.775
  126   2HG   GLU  20          1HG       GLU  20  22.874   2.346   2.802
  127    H    TYR  21           H        TYR  21  27.936   2.163   4.439
  128    HA   TYR  21           HA       TYR  21  29.086   3.573   2.114
  129   1HB   TYR  21          2HB       TYR  21  29.521   3.888   5.055
  130   2HB   TYR  21          1HB       TYR  21  30.781   4.345   3.920
  131    HD1  TYR  21           HD1      TYR  21  30.296   6.099   2.189
  132    HD2  TYR  21           HD2      TYR  21  27.602   5.249   5.395
  133    HE1  TYR  21           HE1      TYR  21  29.166   8.255   1.818
  134    HE2  TYR  21           HE2      TYR  21  26.481   7.408   5.017
  135    HH   TYR  21           HH       TYR  21  27.379   9.779   3.883
  136    H    ILE  22           H        ILE  22  29.167   0.653   3.788
  137    HA   ILE  22           HA       ILE  22  32.015   0.174   3.339
  138    HB   ILE  22           HB       ILE  22  29.887  -1.705   4.318
  139   1HG1  ILE  22          2HG1      ILE  22  31.646   0.225   5.881
  140   2HG1  ILE  22          1HG1      ILE  22  29.911  -0.073   6.046
  141   1HG2  ILE  22          3HG2      ILE  22  31.848  -2.832   3.398
  142   2HG2  ILE  22          2HG2      ILE  22  32.892  -1.950   4.515
  143   3HG2  ILE  22          1HG2      ILE  22  31.707  -3.100   5.138
  144   1HD1  ILE  22          2HD1      ILE  22  30.930  -2.534   6.668
  145   2HD1  ILE  22          1HD1      ILE  22  32.193  -1.466   7.281
  146   3HD1  ILE  22          3HD1      ILE  22  30.532  -1.283   7.848
  147    H    GLY  23           H        GLY  23  31.841   0.463   1.103
  148   1HA   GLY  23          2HA       GLY  23  31.836  -1.904  -0.381
  149   2HA   GLY  23          1HA       GLY  23  30.298  -1.101  -0.638
  150    H    TYR  24           H        TYR  24  30.831   1.477  -0.725
  151    HA   TYR  24           HA       TYR  24  32.418   1.781  -3.155
  152   1HB   TYR  24          2HB       TYR  24  30.918   3.989  -1.786
  153   2HB   TYR  24          1HB       TYR  24  31.249   3.768  -3.498
  154    HD1  TYR  24           HD2      TYR  24  30.167   1.735  -4.652
  155    HD2  TYR  24           HD1      TYR  24  28.824   3.278  -0.885
  156    HE1  TYR  24           HE2      TYR  24  27.989   0.622  -4.955
  157    HE2  TYR  24           HE1      TYR  24  26.665   2.152  -1.204
  158    HH   TYR  24           HH       TYR  24  25.289   1.245  -2.911
  159    H    ALA  25           H        ALA  25  32.336   2.754   0.199
  160    HA   ALA  25           HA       ALA  25  34.783   4.341  -0.046
  161   1HB   ALA  25          3HB       ALA  25  32.892   5.108   1.401
  162   2HB   ALA  25          2HB       ALA  25  33.146   3.684   2.413
  163   3HB   ALA  25          1HB       ALA  25  34.411   4.909   2.279
  164    H    TRP  26           H        TRP  26  33.846   1.133   0.407
  165    HA   TRP  26           HA       TRP  26  36.045   0.334   2.127
  166   1HB   TRP  26          2HB       TRP  26  34.190  -0.853   2.674
  167   2HB   TRP  26          1HB       TRP  26  33.550  -0.766   1.058
  168    HD1  TRP  26          1HD       TRP  26  33.312  -2.989   0.059
  169    HE1  TRP  26          1HE       TRP  26  34.623  -5.152   0.117
  170    HE3  TRP  26          3HE       TRP  26  37.186  -1.603   3.032
  171    HZ2  TRP  26          2HZ       TRP  26  36.992  -6.206   1.211
  172    HZ3  TRP  26          3HZ       TRP  26  38.968  -3.227   3.555
  173    HH2  TRP  26           HH2      TRP  26  38.876  -5.510   2.644
  174    H    ALA  27           H        ALA  27  34.906  -0.061  -1.187
  175    HA   ALA  27           HA       ALA  27  37.042  -1.722  -2.014
  176   1HB   ALA  27          1HB       ALA  27  34.788  -0.294  -3.286
  177   2HB   ALA  27          3HB       ALA  27  36.194  -0.539  -4.327
  178   3HB   ALA  27          2HB       ALA  27  35.403  -1.925  -3.575
  179    H    MET  28           H        MET  28  36.475   1.771  -2.212
  180    HA   MET  28           HA       MET  28  38.844   2.393  -3.636
  181   1HB   MET  28          2HB       MET  28  36.696   3.857  -2.293
  182   2HB   MET  28          1HB       MET  28  38.255   4.638  -2.115
  183   1HG   MET  28          2HG       MET  28  36.817   5.314  -4.133
  184   2HG   MET  28          1HG       MET  28  38.504   4.949  -4.442
  185   1HE   MET  28          2HE       MET  28  37.994   5.004  -6.732
  186   2HE   MET  28          1HE       MET  28  38.781   3.449  -7.002
  187   3HE   MET  28          3HE       MET  28  37.184   3.767  -7.694
  188    H    VAL  29           H        VAL  29  38.046   2.078  -0.238
  189    HA   VAL  29           HA       VAL  29  40.271   3.208   0.961
  190    HB   VAL  29           HB       VAL  29  38.128   1.427   1.684
  191   1HG1  VAL  29          3HG1      VAL  29  39.866  -0.266   2.059
  192   2HG1  VAL  29          2HG1      VAL  29  40.723   0.855   3.119
  193   3HG1  VAL  29          1HG1      VAL  29  39.124   0.260   3.571
  194   1HG2  VAL  29          1HG2      VAL  29  39.705   3.630   2.833
  195   2HG2  VAL  29          3HG2      VAL  29  37.959   3.373   2.802
  196   3HG2  VAL  29          2HG2      VAL  29  38.953   2.540   4.000
  197    H    VAL  30           H        VAL  30  39.877  -0.056  -0.367
  198    HA   VAL  30           HA       VAL  30  42.350  -1.115   0.380
  199    HB   VAL  30           HB       VAL  30  40.628  -1.666  -2.034
  200   1HG1  VAL  30          3HG1      VAL  30  42.856  -3.286  -0.819
  201   2HG1  VAL  30          2HG1      VAL  30  41.770  -3.842  -2.093
  202   3HG1  VAL  30          1HG1      VAL  30  42.870  -2.495  -2.394
  203   1HG2  VAL  30          2HG2      VAL  30  40.379  -2.295   0.784
  204   2HG2  VAL  30          1HG2      VAL  30  39.214  -2.509  -0.525
  205   3HG2  VAL  30          3HG2      VAL  30  40.424  -3.755  -0.208
  206    H    VAL  31           H        VAL  31  41.479   1.159  -2.101
  207    HA   VAL  31           HA       VAL  31  43.957   0.867  -3.559
  208    HB   VAL  31           HB       VAL  31  41.662   2.802  -3.786
  209   1HG1  VAL  31          3HG1      VAL  31  44.152   2.493  -5.437
  210   2HG1  VAL  31          2HG1      VAL  31  42.688   3.256  -6.060
  211   3HG1  VAL  31          1HG1      VAL  31  43.520   3.947  -4.666
  212   1HG2  VAL  31          2HG2      VAL  31  41.103   0.483  -4.350
  213   2HG2  VAL  31          1HG2      VAL  31  41.094   1.507  -5.788
  214   3HG2  VAL  31          3HG2      VAL  31  42.457   0.428  -5.482
  215    H    ILE  32           H        ILE  32  42.888   2.558  -0.815
  216    HA   ILE  32           HA       ILE  32  44.718   4.794  -1.106
  217    HB   ILE  32           HB       ILE  32  42.982   3.926   1.202
  218   1HG1  ILE  32          2HG1      ILE  32  42.613   6.015  -0.950
  219   2HG1  ILE  32          1HG1      ILE  32  41.653   4.559  -0.711
  220   1HG2  ILE  32          1HG2      ILE  32  45.120   5.816   1.087
  221   2HG2  ILE  32          3HG2      ILE  32  43.600   6.689   1.294
  222   3HG2  ILE  32          2HG2      ILE  32  44.058   5.430   2.443
  223   1HD1  ILE  32          1HD1      ILE  32  41.229   5.592   1.672
  224   2HD1  ILE  32          3HD1      ILE  32  41.670   7.100   0.870
  225   3HD1  ILE  32          2HD1      ILE  32  40.299   6.156   0.281
  226    H    VAL  33           H        VAL  33  44.447   1.836   0.828
  227    HA   VAL  33           HA       VAL  33  46.898   2.287   2.252
  228    HB   VAL  33           HB       VAL  33  45.035  -0.064   1.952
  229   1HG1  VAL  33          3HG1      VAL  33  47.320  -0.831   2.393
  230   2HG1  VAL  33          2HG1      VAL  33  47.379   0.204   3.821
  231   3HG1  VAL  33          1HG1      VAL  33  46.238  -1.141   3.749
  232   1HG2  VAL  33          3HG2      VAL  33  44.209   1.943   3.174
  233   2HG2  VAL  33          2HG2      VAL  33  44.303   0.491   4.173
  234   3HG2  VAL  33          1HG2      VAL  33  45.540   1.743   4.315
  235    H    GLY  34           H        GLY  34  45.829   0.462  -0.573
  236   1HA   GLY  34          2HA       GLY  34  48.039  -1.159  -1.035
  237   2HA   GLY  34          1HA       GLY  34  47.016  -0.485  -2.305
  238    H    ALA  35           H        ALA  35  47.629   2.277  -1.474
  239    HA   ALA  35           HA       ALA  35  49.800   2.811  -3.185
  240   1HB   ALA  35          2HB       ALA  35  48.240   4.397  -1.185
  241   2HB   ALA  35          1HB       ALA  35  49.720   5.082  -1.859
  242   3HB   ALA  35          3HB       ALA  35  48.391   4.631  -2.928
  243    H    THR  36           H        THR  36  49.598   2.095   0.211
  244    HA   THR  36           HA       THR  36  52.202   3.034   0.934
  245    HB   THR  36           HB       THR  36  50.098   2.454   2.405
  246    HG1  THR  36           HG1      THR  36  52.829   2.165   3.012
  247   1HG2  THR  36          2HG2      THR  36  50.358  -0.043   1.642
  248   2HG2  THR  36          1HG2      THR  36  51.588  -0.096   2.905
  249   3HG2  THR  36          3HG2      THR  36  49.924   0.331   3.310
  250    H    ILE  37           H        ILE  37  50.876   0.015  -0.245
  251    HA   ILE  37           HA       ILE  37  53.107  -1.650   0.203
  252    HB   ILE  37           HB       ILE  37  50.965  -1.767  -1.912
  253   1HG1  ILE  37          2HG1      ILE  37  51.234  -3.038   0.797
  254   2HG1  ILE  37          1HG1      ILE  37  50.018  -1.876   0.285
  255   1HG2  ILE  37          3HG2      ILE  37  52.967  -3.075  -2.533
  256   2HG2  ILE  37          2HG2      ILE  37  52.835  -3.954  -1.007
  257   3HG2  ILE  37          1HG2      ILE  37  51.559  -4.093  -2.219
  258   1HD1  ILE  37          3HD1      ILE  37  49.424  -3.684  -1.507
  259   2HD1  ILE  37          2HD1      ILE  37  50.276  -4.783  -0.420
  260   3HD1  ILE  37          1HD1      ILE  37  48.861  -3.897   0.152
  261    H    GLY  38           H        GLY  38  52.425   0.771  -2.188
  262   1HA   GLY  38          2HA       GLY  38  54.388  -0.052  -4.114
  263   2HA   GLY  38          1HA       GLY  38  53.569   1.511  -4.051
  264    H    ILE  39           H        ILE  39  54.361   1.956  -1.262
  265    HA   ILE  39           HA       ILE  39  57.061   2.962  -1.794
  266    HB   ILE  39           HB       ILE  39  55.634   3.442   0.778
  267   1HG1  ILE  39          2HG1      ILE  39  53.839   3.892  -0.703
  268   2HG1  ILE  39          1HG1      ILE  39  54.533   5.434  -0.259
  269   1HG2  ILE  39          1HG2      ILE  39  57.983   4.277   0.009
  270   2HG2  ILE  39          3HG2      ILE  39  57.042   5.488  -0.864
  271   3HG2  ILE  39          2HG2      ILE  39  56.895   5.354   0.889
  272   1HD1  ILE  39          3HD1      ILE  39  55.858   5.332  -2.418
  273   2HD1  ILE  39          2HD1      ILE  39  54.827   3.972  -2.876
  274   3HD1  ILE  39          1HD1      ILE  39  54.119   5.559  -2.585
  275    H    LYS  40           H        LYS  40  55.295   0.911   0.434
  276    HA   LYS  40           HA       LYS  40  57.358   0.250   2.196
  277   1HB   LYS  40          2HB       LYS  40  54.765  -0.308   2.127
  278   2HB   LYS  40          1HB       LYS  40  55.354  -1.805   1.415
  279   1HG   LYS  40          2HG       LYS  40  55.624  -2.493   3.535
  280   2HG   LYS  40          1HG       LYS  40  57.038  -1.444   3.559
  281   1HD   LYS  40          2HD       LYS  40  54.349  -0.272   4.134
  282   2HD   LYS  40          1HD       LYS  40  55.146  -1.216   5.391
  283   1HE   LYS  40          2HE       LYS  40  56.019   1.373   4.121
  284   2HE   LYS  40          1HE       LYS  40  55.836   0.990   5.831
  285   1HZ   LYS  40          2HZ       LYS  40  57.705  -0.720   5.297
  286   2HZ   LYS  40          1HZ       LYS  40  58.036   0.343   4.013
  287   3HZ   LYS  40          3HZ       LYS  40  58.082   0.906   5.612
  288    H    LEU  41           H        LEU  41  56.369  -1.177  -0.879
  289    HA   LEU  41           HA       LEU  41  58.185  -3.343  -0.889
  290   1HB   LEU  41          2HB       LEU  41  56.605  -1.880  -2.962
  291   2HB   LEU  41          1HB       LEU  41  57.834  -3.026  -3.480
  292    HG   LEU  41           HG       LEU  41  55.483  -3.594  -1.669
  293   1HD1  LEU  41          3HD1      LEU  41  56.094  -4.278  -4.531
  294   2HD1  LEU  41          2HD1      LEU  41  54.912  -5.182  -3.581
  295   3HD1  LEU  41          1HD1      LEU  41  54.678  -3.456  -3.872
  296   1HD2  LEU  41          1HD2      LEU  41  57.939  -5.149  -2.248
  297   2HD2  LEU  41          3HD2      LEU  41  56.884  -5.173  -0.833
  298   3HD2  LEU  41          2HD2      LEU  41  56.417  -6.038  -2.297
  299    H    PHE  42           H        PHE  42  58.407  -0.030  -2.109
  300    HA   PHE  42           HA       PHE  42  60.863  -0.209  -3.441
  301   1HB   PHE  42          2HB       PHE  42  59.108   1.703  -3.319
  302   2HB   PHE  42          1HB       PHE  42  60.044   2.241  -1.932
  303    HD1  PHE  42           HD1      PHE  42  62.573   2.577  -2.287
  304    HD2  PHE  42           HD2      PHE  42  59.749   2.286  -5.476
  305    HE1  PHE  42           HE1      PHE  42  64.170   3.684  -3.802
  306    HE2  PHE  42           HE2      PHE  42  61.346   3.393  -6.991
  307    HZ   PHE  42           HZ       PHE  42  63.558   4.092  -6.154
  308    H    LYS  43           H        LYS  43  60.107   0.139  -0.040
  309    HA   LYS  43           HA       LYS  43  62.813   0.805   0.708
  310   1HB   LYS  43          2HB       LYS  43  60.382   0.083   2.330
  311   2HB   LYS  43          1HB       LYS  43  61.930   0.545   3.037
  312   1HG   LYS  43          2HG       LYS  43  60.769   2.349   0.961
  313   2HG   LYS  43          1HG       LYS  43  59.984   2.330   2.527
  314   1HD   LYS  43          2HD       LYS  43  61.657   3.455   3.543
  315   2HD   LYS  43          1HD       LYS  43  62.916   2.583   2.678
  316   1HE   LYS  43          2HE       LYS  43  62.407   5.184   2.276
  317   2HE   LYS  43          1HE       LYS  43  63.030   4.133   1.010
  318   1HZ   LYS  43          1HZ       LYS  43  60.126   4.385   1.376
  319   2HZ   LYS  43          3HZ       LYS  43  60.970   5.627   0.585
  320   3HZ   LYS  43          2HZ       LYS  43  61.010   4.045  -0.033
  321    H    LYS  44           H        LYS  44  61.441  -2.053  -0.272
  322    HA   LYS  44           HA       LYS  44  63.050  -3.684   1.573
  323   1HB   LYS  44          2HB       LYS  44  60.669  -4.253   1.394
  324   2HB   LYS  44          1HB       LYS  44  60.843  -4.495  -0.333
  325   1HG   LYS  44          2HG       LYS  44  62.825  -6.057   1.018
  326   2HG   LYS  44          1HG       LYS  44  61.247  -6.374   1.741
  327   1HD   LYS  44          2HD       LYS  44  60.587  -6.398  -0.897
  328   2HD   LYS  44          1HD       LYS  44  62.241  -6.996  -0.991
  329   1HE   LYS  44          2HE       LYS  44  60.266  -8.710  -0.708
  330   2HE   LYS  44          1HE       LYS  44  61.763  -8.950   0.187
  331   1HZ   LYS  44          1HZ       LYS  44  59.580  -7.394   1.399
  332   2HZ   LYS  44          3HZ       LYS  44  59.493  -9.087   1.387
  333   3HZ   LYS  44          2HZ       LYS  44  60.796  -8.312   2.149
  334    H    PHE  45           H        PHE  45  62.224  -3.475  -1.886
  335    HA   PHE  45           HA       PHE  45  64.146  -5.250  -2.865
  336   1HB   PHE  45          2HB       PHE  45  62.587  -2.969  -3.967
  337   2HB   PHE  45          1HB       PHE  45  63.940  -3.560  -4.900
  338    HD1  PHE  45           HD1      PHE  45  64.002  -6.009  -5.590
  339    HD2  PHE  45           HD2      PHE  45  60.508  -4.173  -3.911
  340    HE1  PHE  45           HE1      PHE  45  62.608  -7.839  -6.453
  341    HE2  PHE  45           HE2      PHE  45  59.134  -6.012  -4.782
  342    HZ   PHE  45           HZ       PHE  45  60.179  -7.845  -6.051
  343    H    THR  46           H        THR  46  64.360  -1.849  -2.019
  344    HA   THR  46           HA       THR  46  67.045  -1.586  -3.059
  345    HB   THR  46           HB       THR  46  66.857   0.695  -2.303
  346    HG1  THR  46           HG1      THR  46  65.768   0.445  -0.372
  347   1HG2  THR  46          1HG2      THR  46  65.111  -0.564  -4.142
  348   2HG2  THR  46          3HG2      THR  46  64.183   0.678  -3.298
  349   3HG2  THR  46          2HG2      THR  46  65.670   1.112  -4.144
  350    H    SER  47           H        SER  47  66.012  -3.233  -0.512
  351    HA   SER  47           HA       SER  47  67.797  -2.160   1.522
  352   1HB   SER  47          2HB       SER  47  65.487  -3.239   1.926
  353   2HB   SER  47          1HB       SER  47  66.314  -4.771   1.671
  354    HG   SER  47           HG       SER  47  66.174  -3.824   3.925
  355    H    LYS  48           H        LYS  48  67.568  -4.881  -0.695
  356    HA   LYS  48           HA       LYS  48  69.530  -6.574   0.168
  357   1HB   LYS  48          2HB       LYS  48  68.594  -5.770  -2.560
  358   2HB   LYS  48          1HB       LYS  48  69.975  -6.846  -2.407
  359   1HG   LYS  48          2HG       LYS  48  68.509  -8.364  -1.001
  360   2HG   LYS  48          1HG       LYS  48  67.151  -7.316  -1.418
  361   1HD   LYS  48          2HD       LYS  48  68.880  -8.901  -3.318
  362   2HD   LYS  48          1HD       LYS  48  67.194  -9.215  -2.912
  363   1HE   LYS  48          2HE       LYS  48  66.948  -6.687  -3.755
  364   2HE   LYS  48          1HE       LYS  48  68.372  -7.140  -4.687
  365   1HZ   LYS  48          2HZ       LYS  48  66.551  -9.230  -4.888
  366   2HZ   LYS  48          1HZ       LYS  48  65.678  -7.797  -5.152
  367   3HZ   LYS  48          3HZ       LYS  48  67.035  -8.148  -6.106
  368    H    ALA  49           H        ALA  49  70.026  -3.878  -2.099
  369    HA   ALA  49           HA       ALA  49  71.877  -2.674  -2.658
  370   1HB   ALA  49          2HB       ALA  49  71.659  -2.090  -0.221
  371   2HB   ALA  49          1HB       ALA  49  72.849  -3.349   0.119
  372   3HB   ALA  49          3HB       ALA  49  73.297  -1.954  -0.865
  373    H    SER  50           H        SER  50  74.483  -2.822  -2.381
  374    HA   SER  50           HA       SER  50  76.376  -3.934  -3.041
  375   1HB   SER  50          2HB       SER  50  76.365  -5.284  -1.145
  376   2HB   SER  50          1HB       SER  50  74.862  -6.081  -1.598
  377    HG   SER  50           HG       SER  50  77.486  -6.592  -2.403
   
  No H/Q in entry =         377
  Start of MODEL   22
    1   1H    ALA   1          3H        ALA   1  45.345 -26.769  -9.295
    2   2H    ALA   1          2H        ALA   1  46.190 -27.264 -10.684
    3   3H    ALA   1          1H        ALA   1  44.547 -27.657 -10.500
    4    HA   ALA   1           HA       ALA   1  44.931 -29.265  -8.936
    5   1HB   ALA   1          1HB       ALA   1  45.893 -29.910 -11.156
    6   2HB   ALA   1          3HB       ALA   1  47.463 -29.317 -10.609
    7   3HB   ALA   1          2HB       ALA   1  46.714 -30.697  -9.802
    8    H    GLU   2           H        GLU   2  45.203 -27.986  -7.004
    9    HA   GLU   2           HA       GLU   2  47.360 -28.680  -5.438
   10   1HB   GLU   2          2HB       GLU   2  48.467 -26.372  -5.265
   11   2HB   GLU   2          1HB       GLU   2  48.880 -27.371  -6.656
   12   1HG   GLU   2          2HG       GLU   2  46.558 -25.790  -7.267
   13   2HG   GLU   2          1HG       GLU   2  47.845 -24.744  -6.665
   14    H    GLY   3           H        GLY   3  46.613 -28.512  -3.440
   15   1HA   GLY   3          2HA       GLY   3  45.586 -27.670  -1.557
   16   2HA   GLY   3          1HA       GLY   3  45.343 -26.156  -2.424
   17    H    ASP   4           H        ASP   4  43.490 -27.679  -0.709
   18    HA   ASP   4           HA       ASP   4  41.340 -28.199  -2.670
   19   1HB   ASP   4          2HB       ASP   4  42.348 -29.912  -0.714
   20   2HB   ASP   4          1HB       ASP   4  40.847 -29.287  -0.029
   21    H    ASP   5           H        ASP   5  40.856 -25.931  -2.632
   22    HA   ASP   5           HA       ASP   5  38.981 -25.247  -0.556
   23   1HB   ASP   5          2HB       ASP   5  41.340 -24.489   0.174
   24   2HB   ASP   5          1HB       ASP   5  41.171 -23.266  -1.086
   25    HA   PRO   6           HA       PRO   6  38.009 -23.563  -4.755
   26   1HB   PRO   6          2HB       PRO   6  35.779 -25.012  -5.242
   27   2HB   PRO   6          1HB       PRO   6  37.409 -25.569  -5.648
   28   1HG   PRO   6          2HG       PRO   6  35.607 -26.460  -3.504
   29   2HG   PRO   6          1HG       PRO   6  36.947 -27.314  -4.283
   30   1HD   PRO   6          2HD       PRO   6  36.967 -26.025  -1.752
   31   2HD   PRO   6          1HD       PRO   6  38.340 -26.764  -2.599
   32    H    ALA   7           H        ALA   7  36.293 -23.947  -1.791
   33    HA   ALA   7           HA       ALA   7  33.895 -22.599  -2.327
   34   1HB   ALA   7          3HB       ALA   7  34.845 -23.863  -0.176
   35   2HB   ALA   7          2HB       ALA   7  35.188 -22.203   0.319
   36   3HB   ALA   7          1HB       ALA   7  33.536 -22.684  -0.074
   37    H    LYS   8           H        LYS   8  37.115 -21.406  -2.121
   38    HA   LYS   8           HA       LYS   8  36.983 -18.880  -1.151
   39   1HB   LYS   8          2HB       LYS   8  38.744 -18.302  -2.714
   40   2HB   LYS   8          1HB       LYS   8  39.001 -19.906  -2.056
   41   1HG   LYS   8          2HG       LYS   8  38.673 -20.930  -4.122
   42   2HG   LYS   8          1HG       LYS   8  37.450 -19.757  -4.589
   43   1HD   LYS   8          2HD       LYS   8  39.696 -19.741  -5.863
   44   2HD   LYS   8          1HD       LYS   8  38.997 -18.206  -5.366
   45   1HE   LYS   8          2HE       LYS   8  41.523 -18.582  -4.970
   46   2HE   LYS   8          1HE       LYS   8  40.574 -17.902  -3.650
   47   1HZ   LYS   8          2HZ       LYS   8  40.684 -20.786  -3.680
   48   2HZ   LYS   8          1HZ       LYS   8  42.191 -20.038  -3.448
   49   3HZ   LYS   8          3HZ       LYS   8  40.908 -19.701  -2.392
   50    H    ALA   9           H        ALA   9  35.540 -20.054  -4.089
   51    HA   ALA   9           HA       ALA   9  34.959 -17.466  -5.200
   52   1HB   ALA   9          2HB       ALA   9  33.869 -20.215  -5.825
   53   2HB   ALA   9          1HB       ALA   9  33.509 -18.759  -6.757
   54   3HB   ALA   9          3HB       ALA   9  35.162 -19.371  -6.678
   55    H    ALA  10           H        ALA  10  32.686 -20.016  -4.207
   56    HA   ALA  10           HA       ALA  10  30.426 -18.452  -3.962
   57   1HB   ALA  10          1HB       ALA  10  30.565 -20.962  -3.834
   58   2HB   ALA  10          3HB       ALA  10  31.076 -20.781  -2.156
   59   3HB   ALA  10          2HB       ALA  10  29.481 -20.219  -2.657
   60    H    PHE  11           H        PHE  11  33.154 -18.644  -1.831
   61    HA   PHE  11           HA       PHE  11  31.821 -17.513   0.462
   62   1HB   PHE  11          2HB       PHE  11  34.311 -18.744  -0.050
   63   2HB   PHE  11          1HB       PHE  11  34.662 -17.124   0.527
   64    HD1  PHE  11           HD1      PHE  11  32.736 -20.212   1.336
   65    HD2  PHE  11           HD2      PHE  11  34.488 -16.605   2.846
   66    HE1  PHE  11           HE1      PHE  11  32.287 -20.947   3.639
   67    HE2  PHE  11           HE2      PHE  11  34.033 -17.355   5.140
   68    HZ   PHE  11           HZ       PHE  11  32.933 -19.522   5.540
   69    H    ASN  12           H        ASN  12  33.874 -16.299  -2.148
   70    HA   ASN  12           HA       ASN  12  33.875 -13.601  -1.081
   71   1HB   ASN  12          2HB       ASN  12  35.666 -14.896  -2.579
   72   2HB   ASN  12          1HB       ASN  12  34.728 -14.151  -3.874
   73   1HD2  ASN  12          2HD2      ASN  12  37.502 -11.948  -2.348
   74   2HD2  ASN  12          1HD2      ASN  12  37.474 -13.652  -2.632
   75    H    SER  13           H        SER  13  32.560 -15.224  -3.970
   76    HA   SER  13           HA       SER  13  31.213 -13.031  -5.062
   77   1HB   SER  13          2HB       SER  13  29.810 -15.578  -5.366
   78   2HB   SER  13          1HB       SER  13  30.497 -14.513  -6.591
   79    HG   SER  13           HG       SER  13  32.378 -15.553  -6.476
   80    H    LEU  14           H        LEU  14  30.330 -15.199  -2.463
   81    HA   LEU  14           HA       LEU  14  27.577 -14.441  -2.346
   82   1HB   LEU  14          2HB       LEU  14  28.301 -16.568  -1.446
   83   2HB   LEU  14          1HB       LEU  14  29.386 -15.755  -0.322
   84    HG   LEU  14           HG       LEU  14  27.418 -14.649   0.729
   85   1HD1  LEU  14          1HD1      LEU  14  25.911 -16.311  -1.280
   86   2HD1  LEU  14          3HD1      LEU  14  25.168 -15.832   0.246
   87   3HD1  LEU  14          2HD1      LEU  14  25.723 -14.600  -0.887
   88   1HD2  LEU  14          1HD2      LEU  14  27.612 -17.655   0.715
   89   2HD2  LEU  14          3HD2      LEU  14  28.130 -16.513   1.960
   90   3HD2  LEU  14          2HD2      LEU  14  26.413 -16.828   1.707
   91    H    GLN  15           H        GLN  15  30.512 -13.427  -0.646
   92    HA   GLN  15           HA       GLN  15  29.117 -11.585   1.076
   93   1HB   GLN  15          2HB       GLN  15  31.206 -12.685   1.772
   94   2HB   GLN  15          1HB       GLN  15  32.067 -11.856   0.478
   95   1HG   GLN  15          2HG       GLN  15  31.106  -9.691   1.585
   96   2HG   GLN  15          1HG       GLN  15  30.900 -10.727   2.999
   97   1HE2  GLN  15          2HD2      GLN  15  34.168  -9.833   3.853
   98   2HE2  GLN  15          1HD2      GLN  15  32.483  -9.711   4.211
   99    H    ALA  16           H        ALA  16  30.983 -11.395  -1.911
  100    HA   ALA  16           HA       ALA  16  30.906  -8.515  -2.021
  101   1HB   ALA  16          1HB       ALA  16  32.178 -10.665  -3.478
  102   2HB   ALA  16          3HB       ALA  16  31.475  -9.478  -4.579
  103   3HB   ALA  16          2HB       ALA  16  32.639  -8.966  -3.355
  104    H    SER  17           H        SER  17  28.513 -10.750  -2.423
  105    HA   SER  17           HA       SER  17  27.260  -9.695  -4.796
  106   1HB   SER  17          2HB       SER  17  26.856 -11.994  -4.245
  107   2HB   SER  17          1HB       SER  17  26.310 -11.567  -2.628
  108    HG   SER  17           HG       SER  17  24.722 -11.938  -4.535
  109    H    ALA  18           H        ALA  18  25.833  -9.973  -1.560
  110    HA   ALA  18           HA       ALA  18  24.097  -7.762  -1.914
  111   1HB   ALA  18          1HB       ALA  18  24.386  -9.813  -0.053
  112   2HB   ALA  18          3HB       ALA  18  24.691  -8.340   0.869
  113   3HB   ALA  18          2HB       ALA  18  23.177  -8.528  -0.019
  114    H    THR  19           H        THR  19  27.411  -7.967  -1.019
  115    HA   THR  19           HA       THR  19  27.403  -5.311   0.208
  116    HB   THR  19           HB       THR  19  29.738  -7.174  -0.227
  117    HG1  THR  19           HG1      THR  19  28.077  -8.171   1.009
  118   1HG2  THR  19          3HG2      THR  19  29.328  -4.888   1.717
  119   2HG2  THR  19          2HG2      THR  19  30.714  -5.976   1.705
  120   3HG2  THR  19          1HG2      THR  19  30.424  -4.908   0.335
  121    H    GLU  20           H        GLU  20  26.737  -5.560  -2.572
  122    HA   GLU  20           HA       GLU  20  29.055  -4.753  -4.100
  123   1HB   GLU  20          2HB       GLU  20  26.492  -5.808  -4.666
  124   2HB   GLU  20          1HB       GLU  20  26.583  -4.236  -5.448
  125   1HG   GLU  20          2HG       GLU  20  28.424  -6.603  -5.837
  126   2HG   GLU  20          1HG       GLU  20  27.381  -5.833  -7.030
  127    H    TYR  21           H        TYR  21  27.036  -3.207  -1.975
  128    HA   TYR  21           HA       TYR  21  27.139  -0.626  -3.363
  129   1HB   TYR  21          2HB       TYR  21  25.550  -1.727  -1.084
  130   2HB   TYR  21          1HB       TYR  21  25.784   0.010  -1.212
  131    HD1  TYR  21           HD2      TYR  21  24.920   1.234  -3.199
  132    HD2  TYR  21           HD1      TYR  21  24.098  -2.915  -2.571
  133    HE1  TYR  21           HE2      TYR  21  23.090   1.342  -4.843
  134    HE2  TYR  21           HE1      TYR  21  22.271  -2.794  -4.218
  135    HH   TYR  21           HH       TYR  21  20.884  -1.311  -5.328
  136    H    ILE  22           H        ILE  22  28.613  -2.432  -0.832
  137    HA   ILE  22           HA       ILE  22  29.719  -0.114   0.515
  138    HB   ILE  22           HB       ILE  22  30.046  -3.095   0.864
  139   1HG1  ILE  22          2HG1      ILE  22  27.885  -1.885   1.571
  140   2HG1  ILE  22          1HG1      ILE  22  28.660  -2.931   2.773
  141   1HG2  ILE  22          3HG2      ILE  22  31.817  -1.024   1.799
  142   2HG2  ILE  22          2HG2      ILE  22  31.044  -1.809   3.175
  143   3HG2  ILE  22          1HG2      ILE  22  31.956  -2.775   2.010
  144   1HD1  ILE  22          1HD1      ILE  22  29.797  -0.392   3.176
  145   2HD1  ILE  22          3HD1      ILE  22  28.076  -0.104   2.917
  146   3HD1  ILE  22          2HD1      ILE  22  28.607  -1.209   4.183
  147    H    GLY  23           H        GLY  23  30.884  -2.727  -1.579
  148   1HA   GLY  23          2HA       GLY  23  33.566  -2.440  -1.558
  149   2HA   GLY  23          1HA       GLY  23  32.668  -2.805  -3.004
  150    H    TYR  24           H        TYR  24  31.375  -0.321  -3.424
  151    HA   TYR  24           HA       TYR  24  33.364   1.059  -4.794
  152   1HB   TYR  24          2HB       TYR  24  30.706   2.087  -3.801
  153   2HB   TYR  24          1HB       TYR  24  31.740   2.935  -4.939
  154    HD1  TYR  24           HD2      TYR  24  32.539   1.443  -6.994
  155    HD2  TYR  24           HD1      TYR  24  28.995   0.738  -4.695
  156    HE1  TYR  24           HE2      TYR  24  31.565   0.169  -8.862
  157    HE2  TYR  24           HE1      TYR  24  28.044  -0.531  -6.567
  158    HH   TYR  24           HH       TYR  24  29.460  -1.890  -8.793
  159    H    ALA  25           H        ALA  25  32.069   1.676  -1.552
  160    HA   ALA  25           HA       ALA  25  34.029   3.810  -1.140
  161   1HB   ALA  25          2HB       ALA  25  31.652   2.804   0.399
  162   2HB   ALA  25          1HB       ALA  25  32.845   3.862   1.155
  163   3HB   ALA  25          3HB       ALA  25  31.944   4.416  -0.258
  164    H    TRP  26           H        TRP  26  33.708   0.449  -0.678
  165    HA   TRP  26           HA       TRP  26  35.439   0.273   1.641
  166   1HB   TRP  26          2HB       TRP  26  33.739  -1.217   1.753
  167   2HB   TRP  26          1HB       TRP  26  33.683  -1.448   0.035
  168    HD1  TRP  26          1HD       TRP  26  34.151  -3.791  -0.506
  169    HE1  TRP  26          1HE       TRP  26  35.712  -5.565   0.353
  170    HE3  TRP  26          3HE       TRP  26  36.620  -1.161   3.076
  171    HZ2  TRP  26          2HZ       TRP  26  37.775  -5.904   2.232
  172    HZ3  TRP  26          3HZ       TRP  26  38.401  -2.263   4.380
  173    HH2  TRP  26           HH2      TRP  26  38.983  -4.614   3.953
  174    H    ALA  27           H        ALA  27  35.623   0.081  -1.802
  175    HA   ALA  27           HA       ALA  27  38.152  -1.332  -1.755
  176   1HB   ALA  27          2HB       ALA  27  36.270  -0.385  -3.878
  177   2HB   ALA  27          1HB       ALA  27  37.959  -0.651  -4.318
  178   3HB   ALA  27          3HB       ALA  27  37.004  -1.974  -3.649
  179    H    MET  28           H        MET  28  37.018   1.882  -2.845
  180    HA   MET  28           HA       MET  28  39.418   3.019  -3.557
  181   1HB   MET  28          2HB       MET  28  36.791   3.972  -2.818
  182   2HB   MET  28          1HB       MET  28  38.015   5.015  -2.115
  183   1HG   MET  28          2HG       MET  28  37.165   5.656  -4.431
  184   2HG   MET  28          1HG       MET  28  38.908   5.587  -4.238
  185   1HE   MET  28          2HE       MET  28  37.617   5.922  -6.684
  186   2HE   MET  28          1HE       MET  28  38.356   4.784  -7.810
  187   3HE   MET  28          3HE       MET  28  36.652   4.612  -7.365
  188    H    VAL  29           H        VAL  29  38.184   2.295  -0.400
  189    HA   VAL  29           HA       VAL  29  40.049   3.839   1.111
  190    HB   VAL  29           HB       VAL  29  37.821   2.073   1.565
  191   1HG1  VAL  29          1HG1      VAL  29  40.260   1.481   3.212
  192   2HG1  VAL  29          3HG1      VAL  29  38.632   1.278   3.864
  193   3HG1  VAL  29          2HG1      VAL  29  39.135   0.356   2.444
  194   1HG2  VAL  29          1HG2      VAL  29  38.963   4.483   2.596
  195   2HG2  VAL  29          3HG2      VAL  29  37.306   3.886   2.719
  196   3HG2  VAL  29          2HG2      VAL  29  38.502   3.425   3.932
  197    H    VAL  30           H        VAL  30  39.917   0.479  -0.004
  198    HA   VAL  30           HA       VAL  30  42.302  -0.390   1.239
  199    HB   VAL  30           HB       VAL  30  40.866  -1.412  -1.207
  200   1HG1  VAL  30          3HG1      VAL  30  43.325  -2.196   0.057
  201   2HG1  VAL  30          2HG1      VAL  30  42.140  -3.500   0.134
  202   3HG1  VAL  30          1HG1      VAL  30  42.583  -2.800  -1.424
  203   1HG2  VAL  30          1HG2      VAL  30  39.803  -1.245   1.252
  204   2HG2  VAL  30          3HG2      VAL  30  39.455  -2.573   0.143
  205   3HG2  VAL  30          2HG2      VAL  30  40.664  -2.777   1.412
  206    H    VAL  31           H        VAL  31  41.578   0.769  -2.050
  207    HA   VAL  31           HA       VAL  31  44.061   0.454  -3.212
  208    HB   VAL  31           HB       VAL  31  42.082   2.686  -3.612
  209   1HG1  VAL  31          1HG1      VAL  31  44.649   2.397  -4.653
  210   2HG1  VAL  31          3HG1      VAL  31  43.564   1.880  -5.944
  211   3HG1  VAL  31          2HG1      VAL  31  43.380   3.482  -5.225
  212   1HG2  VAL  31          3HG2      VAL  31  42.363   0.015  -5.003
  213   2HG2  VAL  31          2HG2      VAL  31  41.063   0.486  -3.905
  214   3HG2  VAL  31          1HG2      VAL  31  41.239   1.295  -5.463
  215    H    ILE  32           H        ILE  32  42.959   2.774  -0.912
  216    HA   ILE  32           HA       ILE  32  45.140   4.616  -1.211
  217    HB   ILE  32           HB       ILE  32  42.996   4.225   0.865
  218   1HG1  ILE  32          2HG1      ILE  32  43.526   6.469  -1.084
  219   2HG1  ILE  32          1HG1      ILE  32  42.386   5.154  -1.351
  220   1HG2  ILE  32          1HG2      ILE  32  45.230   6.252   0.860
  221   2HG2  ILE  32          3HG2      ILE  32  43.741   6.441   1.790
  222   3HG2  ILE  32          2HG2      ILE  32  44.826   5.090   2.126
  223   1HD1  ILE  32          3HD1      ILE  32  41.873   6.315   1.219
  224   2HD1  ILE  32          2HD1      ILE  32  41.938   7.600   0.009
  225   3HD1  ILE  32          1HD1      ILE  32  40.815   6.253  -0.193
  226    H    VAL  33           H        VAL  33  44.502   1.729   0.633
  227    HA   VAL  33           HA       VAL  33  46.775   2.045   2.389
  228    HB   VAL  33           HB       VAL  33  44.723  -0.100   1.893
  229   1HG1  VAL  33          1HG1      VAL  33  47.143  -0.209   3.668
  230   2HG1  VAL  33          3HG1      VAL  33  45.725  -1.230   3.912
  231   3HG1  VAL  33          2HG1      VAL  33  46.651  -1.348   2.415
  232   1HG2  VAL  33          3HG2      VAL  33  44.272   2.064   3.218
  233   2HG2  VAL  33          2HG2      VAL  33  43.803   0.524   3.942
  234   3HG2  VAL  33          1HG2      VAL  33  45.281   1.334   4.468
  235    H    GLY  34           H        GLY  34  46.018   0.615  -0.690
  236   1HA   GLY  34          2HA       GLY  34  48.188  -1.222  -0.835
  237   2HA   GLY  34          1HA       GLY  34  47.273  -0.583  -2.206
  238    H    ALA  35           H        ALA  35  47.777   2.182  -1.591
  239    HA   ALA  35           HA       ALA  35  50.097   2.672  -3.064
  240   1HB   ALA  35          2HB       ALA  35  48.297   4.280  -1.334
  241   2HB   ALA  35          1HB       ALA  35  49.890   4.961  -1.675
  242   3HB   ALA  35          3HB       ALA  35  48.800   4.555  -3.003
  243    H    THR  36           H        THR  36  49.565   2.238   0.360
  244    HA   THR  36           HA       THR  36  52.130   3.095   1.267
  245    HB   THR  36           HB       THR  36  49.927   1.403   2.437
  246    HG1  THR  36           HG1      THR  36  49.767   3.229   3.796
  247   1HG2  THR  36          1HG2      THR  36  52.653   1.956   3.586
  248   2HG2  THR  36          3HG2      THR  36  51.252   1.688   4.625
  249   3HG2  THR  36          2HG2      THR  36  51.776   0.426   3.508
  250    H    ILE  37           H        ILE  37  50.754  -0.046   0.369
  251    HA   ILE  37           HA       ILE  37  53.010  -1.624   0.999
  252    HB   ILE  37           HB       ILE  37  50.891  -2.048  -1.099
  253   1HG1  ILE  37          2HG1      ILE  37  51.081  -2.952   1.760
  254   2HG1  ILE  37          1HG1      ILE  37  49.930  -1.795   1.105
  255   1HG2  ILE  37          2HG2      ILE  37  52.912  -3.426  -1.449
  256   2HG2  ILE  37          1HG2      ILE  37  52.735  -4.056   0.190
  257   3HG2  ILE  37          3HG2      ILE  37  51.498  -4.392  -1.022
  258   1HD1  ILE  37          2HD1      ILE  37  49.536  -3.966  -0.522
  259   2HD1  ILE  37          1HD1      ILE  37  49.900  -4.733   1.026
  260   3HD1  ILE  37          3HD1      ILE  37  48.564  -3.586   0.901
  261    H    GLY  38           H        GLY  38  52.314   0.544  -1.602
  262   1HA   GLY  38          2HA       GLY  38  54.243  -0.493  -3.464
  263   2HA   GLY  38          1HA       GLY  38  53.403   1.055  -3.571
  264    H    ILE  39           H        ILE  39  54.277   1.702  -0.775
  265    HA   ILE  39           HA       ILE  39  56.898   2.785  -1.508
  266    HB   ILE  39           HB       ILE  39  55.594   3.319   1.119
  267   1HG1  ILE  39          2HG1      ILE  39  53.715   3.662  -0.271
  268   2HG1  ILE  39          1HG1      ILE  39  54.390   5.241   0.053
  269   1HG2  ILE  39          1HG2      ILE  39  57.857   4.192   0.385
  270   2HG2  ILE  39          3HG2      ILE  39  56.972   5.214  -0.751
  271   3HG2  ILE  39          2HG2      ILE  39  56.699   5.383   0.984
  272   1HD1  ILE  39          2HD1      ILE  39  55.593   5.065  -2.168
  273   2HD1  ILE  39          1HD1      ILE  39  54.587   3.651  -2.499
  274   3HD1  ILE  39          3HD1      ILE  39  53.841   5.229  -2.252
  275    H    LYS  40           H        LYS  40  55.358   0.743   0.890
  276    HA   LYS  40           HA       LYS  40  57.593   0.250   2.509
  277   1HB   LYS  40          2HB       LYS  40  54.997  -0.401   2.656
  278   2HB   LYS  40          1HB       LYS  40  55.635  -1.924   2.059
  279   1HG   LYS  40          2HG       LYS  40  56.026  -2.363   4.233
  280   2HG   LYS  40          1HG       LYS  40  57.415  -1.296   4.041
  281   1HD   LYS  40          2HD       LYS  40  54.696  -0.219   4.739
  282   2HD   LYS  40          1HD       LYS  40  55.772  -0.838   5.989
  283   1HE   LYS  40          2HE       LYS  40  56.250   1.492   4.112
  284   2HE   LYS  40          1HE       LYS  40  56.109   1.537   5.868
  285   1HZ   LYS  40          2HZ       LYS  40  58.133   0.093   5.928
  286   2HZ   LYS  40          1HZ       LYS  40  58.326   0.403   4.270
  287   3HZ   LYS  40          3HZ       LYS  40  58.383   1.681   5.381
  288    H    LEU  41           H        LEU  41  56.277  -1.489  -0.282
  289    HA   LEU  41           HA       LEU  41  58.257  -3.506  -0.397
  290   1HB   LEU  41          2HB       LEU  41  56.367  -2.344  -2.435
  291   2HB   LEU  41          1HB       LEU  41  57.478  -3.648  -2.831
  292    HG   LEU  41           HG       LEU  41  55.325  -3.692  -0.715
  293   1HD1  LEU  41          3HD1      LEU  41  55.593  -5.048  -3.391
  294   2HD1  LEU  41          2HD1      LEU  41  54.425  -5.546  -2.165
  295   3HD1  LEU  41          1HD1      LEU  41  54.337  -3.927  -2.862
  296   1HD2  LEU  41          3HD2      LEU  41  57.565  -5.583  -1.305
  297   2HD2  LEU  41          2HD2      LEU  41  56.887  -5.086   0.248
  298   3HD2  LEU  41          1HD2      LEU  41  56.011  -6.227  -0.773
  299    H    PHE  42           H        PHE  42  57.949  -0.340  -1.959
  300    HA   PHE  42           HA       PHE  42  60.082  -0.351  -3.701
  301   1HB   PHE  42          2HB       PHE  42  58.470   1.492  -3.466
  302   2HB   PHE  42          1HB       PHE  42  59.204   1.928  -1.930
  303    HD1  PHE  42           HD2      PHE  42  61.382   2.988  -1.842
  304    HD2  PHE  42           HD1      PHE  42  59.594   1.929  -5.572
  305    HE1  PHE  42           HE2      PHE  42  63.011   4.409  -3.027
  306    HE2  PHE  42           HE1      PHE  42  61.223   3.351  -6.755
  307    HZ   PHE  42           HZ       PHE  42  62.931   4.590  -5.483
  308    H    LYS  43           H        LYS  43  60.095   0.370  -0.239
  309    HA   LYS  43           HA       LYS  43  62.835   1.009  -0.042
  310   1HB   LYS  43          2HB       LYS  43  60.875   0.005   2.014
  311   2HB   LYS  43          1HB       LYS  43  62.494   0.583   2.403
  312   1HG   LYS  43          2HG       LYS  43  60.768   2.348   0.722
  313   2HG   LYS  43          1HG       LYS  43  60.339   2.198   2.414
  314   1HD   LYS  43          2HD       LYS  43  62.097   3.429   3.120
  315   2HD   LYS  43          1HD       LYS  43  63.206   2.716   1.957
  316   1HE   LYS  43          2HE       LYS  43  62.422   5.268   1.826
  317   2HE   LYS  43          1HE       LYS  43  62.816   4.329   0.390
  318   1HZ   LYS  43          3HZ       LYS  43  60.061   4.327   1.422
  319   2HZ   LYS  43          2HZ       LYS  43  60.612   5.652   0.514
  320   3HZ   LYS  43          1HZ       LYS  43  60.615   4.095  -0.163
  321    H    LYS  44           H        LYS  44  61.218  -2.008  -0.385
  322    HA   LYS  44           HA       LYS  44  63.370  -3.567   0.792
  323   1HB   LYS  44          2HB       LYS  44  61.026  -4.306   0.989
  324   2HB   LYS  44          1HB       LYS  44  60.924  -4.459  -0.753
  325   1HG   LYS  44          2HG       LYS  44  63.215  -5.913   0.190
  326   2HG   LYS  44          1HG       LYS  44  61.786  -6.402   1.104
  327   1HD   LYS  44          2HD       LYS  44  60.755  -6.339  -1.410
  328   2HD   LYS  44          1HD       LYS  44  62.419  -6.781  -1.777
  329   1HE   LYS  44          2HE       LYS  44  60.667  -8.684  -1.345
  330   2HE   LYS  44          1HE       LYS  44  62.283  -8.830  -0.663
  331   1HZ   LYS  44          3HZ       LYS  44  60.118  -7.570   0.891
  332   2HZ   LYS  44          2HZ       LYS  44  60.247  -9.262   0.816
  333   3HZ   LYS  44          1HZ       LYS  44  61.526  -8.337   1.444
  334    H    PHE  45           H        PHE  45  61.909  -3.248  -2.451
  335    HA   PHE  45           HA       PHE  45  63.835  -4.761  -3.845
  336   1HB   PHE  45          2HB       PHE  45  61.779  -2.728  -4.549
  337   2HB   PHE  45          1HB       PHE  45  63.038  -3.047  -5.721
  338    HD1  PHE  45           HD1      PHE  45  63.379  -5.399  -6.589
  339    HD2  PHE  45           HD2      PHE  45  59.981  -4.301  -4.216
  340    HE1  PHE  45           HE1      PHE  45  62.190  -7.416  -7.334
  341    HE2  PHE  45           HE2      PHE  45  58.811  -6.321  -4.974
  342    HZ   PHE  45           HZ       PHE  45  59.911  -7.879  -6.530
  343    H    THR  46           H        THR  46  63.831  -1.502  -2.639
  344    HA   THR  46           HA       THR  46  66.217  -0.783  -4.152
  345    HB   THR  46           HB       THR  46  65.869   1.408  -3.210
  346    HG1  THR  46           HG1      THR  46  65.128   1.200  -1.208
  347   1HG2  THR  46          1HG2      THR  46  63.773  -0.043  -4.636
  348   2HG2  THR  46          3HG2      THR  46  63.179   1.388  -3.787
  349   3HG2  THR  46          2HG2      THR  46  64.479   1.541  -4.971
  350    H    SER  47           H        SER  47  65.971  -2.824  -1.880
  351    HA   SER  47           HA       SER  47  68.507  -2.433  -0.702
  352   1HB   SER  47          2HB       SER  47  67.215  -0.787   0.651
  353   2HB   SER  47          1HB       SER  47  66.125  -2.081   1.137
  354    HG   SER  47           HG       SER  47  67.549  -2.550   2.625
  355    H    LYS  48           H        LYS  48  67.567  -4.416  -2.169
  356    HA   LYS  48           HA       LYS  48  66.099  -6.476  -1.179
  357   1HB   LYS  48          2HB       LYS  48  68.669  -6.910  -2.664
  358   2HB   LYS  48          1HB       LYS  48  67.195  -7.871  -2.733
  359   1HG   LYS  48          2HG       LYS  48  66.108  -5.701  -3.629
  360   2HG   LYS  48          1HG       LYS  48  67.766  -5.202  -3.960
  361   1HD   LYS  48          2HD       LYS  48  68.088  -7.294  -5.268
  362   2HD   LYS  48          1HD       LYS  48  66.396  -7.695  -4.999
  363   1HE   LYS  48          2HE       LYS  48  66.438  -5.060  -6.038
  364   2HE   LYS  48          1HE       LYS  48  67.561  -6.003  -7.011
  365   1HZ   LYS  48          1HZ       LYS  48  64.900  -7.084  -6.379
  366   2HZ   LYS  48          3HZ       LYS  48  65.074  -5.947  -7.624
  367   3HZ   LYS  48          2HZ       LYS  48  65.913  -7.422  -7.699
  368    H    ALA  49           H        ALA  49  69.558  -5.896  -0.621
  369    HA   ALA  49           HA       ALA  49  70.334  -8.096   0.746
  370   1HB   ALA  49          2HB       ALA  49  70.992  -5.205   1.263
  371   2HB   ALA  49          1HB       ALA  49  71.795  -6.530   2.108
  372   3HB   ALA  49          3HB       ALA  49  71.932  -6.392   0.354
  373    H    SER  50           H        SER  50  68.731  -9.067   1.974
  374    HA   SER  50           HA       SER  50  67.118  -7.824   3.897
  375   1HB   SER  50          2HB       SER  50  67.652 -10.471   4.751
  376   2HB   SER  50          1HB       SER  50  66.238  -9.869   3.896
  377    HG   SER  50           HG       SER  50  68.021 -11.550   2.980
   
  No H/Q in entry =         377
  Start of MODEL   23
    1   1H    ALA   1          3H        ALA   1  33.886  22.864  16.228
    2   2H    ALA   1          2H        ALA   1  32.609  22.393  17.244
    3   3H    ALA   1          1H        ALA   1  33.930  23.253  17.878
    4    HA   ALA   1           HA       ALA   1  35.407  21.430  17.453
    5   1HB   ALA   1          2HB       ALA   1  32.865  20.559  18.866
    6   2HB   ALA   1          1HB       ALA   1  34.433  19.763  19.016
    7   3HB   ALA   1          3HB       ALA   1  34.217  21.414  19.610
    8    H    GLU   2           H        GLU   2  35.469  20.919  15.231
    9    HA   GLU   2           HA       GLU   2  35.152  19.622  13.363
   10   1HB   GLU   2          2HB       GLU   2  34.725  17.794  15.677
   11   2HB   GLU   2          1HB       GLU   2  34.340  17.200  14.062
   12   1HG   GLU   2          2HG       GLU   2  36.656  17.960  13.361
   13   2HG   GLU   2          1HG       GLU   2  36.997  18.217  15.073
   14    H    GLY   3           H        GLY   3  33.064  21.347  13.795
   15   1HA   GLY   3          2HA       GLY   3  30.493  20.223  13.935
   16   2HA   GLY   3          1HA       GLY   3  30.893  21.763  13.175
   17    H    ASP   4           H        ASP   4  29.092  19.446  12.401
   18    HA   ASP   4           HA       ASP   4  29.657  19.508   9.586
   19   1HB   ASP   4          2HB       ASP   4  31.089  17.608  10.767
   20   2HB   ASP   4          1HB       ASP   4  29.565  16.729  10.653
   21    H    ASP   5           H        ASP   5  27.553  20.421   9.627
   22    HA   ASP   5           HA       ASP   5  25.268  20.390   9.440
   23   1HB   ASP   5          2HB       ASP   5  26.084  18.314   8.018
   24   2HB   ASP   5          1HB       ASP   5  25.263  17.410   9.291
   25    HA   PRO   6           HA       PRO   6  24.570  19.152  13.769
   26   1HB   PRO   6          2HB       PRO   6  23.674  21.554  14.630
   27   2HB   PRO   6          1HB       PRO   6  25.390  21.141  14.521
   28   1HG   PRO   6          2HG       PRO   6  23.808  22.961  12.861
   29   2HG   PRO   6          1HG       PRO   6  25.562  22.873  13.080
   30   1HD   PRO   6          2HD       PRO   6  23.999  21.860  10.897
   31   2HD   PRO   6          1HD       PRO   6  25.760  21.789  11.113
   32    H    ALA   7           H        ALA   7  22.654  19.514  11.223
   33    HA   ALA   7           HA       ALA   7  20.119  19.868  12.636
   34   1HB   ALA   7          2HB       ALA   7  20.812  19.552   9.713
   35   2HB   ALA   7          1HB       ALA   7  19.158  19.661  10.319
   36   3HB   ALA   7          3HB       ALA   7  20.268  21.016  10.534
   37    H    LYS   8           H        LYS   8  21.516  17.644  13.470
   38    HA   LYS   8           HA       LYS   8  21.637  15.331  13.483
   39   1HB   LYS   8          2HB       LYS   8  18.699  15.566  13.569
   40   2HB   LYS   8          1HB       LYS   8  19.784  14.563  14.501
   41   1HG   LYS   8          2HG       LYS   8  19.694  17.560  14.762
   42   2HG   LYS   8          1HG       LYS   8  18.742  16.492  15.789
   43   1HD   LYS   8          2HD       LYS   8  21.700  16.982  15.734
   44   2HD   LYS   8          1HD       LYS   8  20.620  16.832  17.113
   45   1HE   LYS   8          2HE       LYS   8  21.761  14.600  15.407
   46   2HE   LYS   8          1HE       LYS   8  22.072  14.920  17.112
   47   1HZ   LYS   8          3HZ       LYS   8  19.283  14.563  16.497
   48   2HZ   LYS   8          2HZ       LYS   8  20.230  13.195  16.160
   49   3HZ   LYS   8          1HZ       LYS   8  20.226  13.866  17.720
   50    H    ALA   9           H        ALA   9  22.106  15.503  11.086
   51    HA   ALA   9           HA       ALA   9  20.068  14.193   9.433
   52   1HB   ALA   9          3HB       ALA   9  22.380  15.948   8.884
   53   2HB   ALA   9          2HB       ALA   9  22.100  14.657   7.713
   54   3HB   ALA   9          1HB       ALA   9  20.826  15.830   8.058
   55    H    ALA  10           H        ALA  10  23.562  13.920   9.051
   56    HA   ALA  10           HA       ALA  10  23.574  11.210   8.424
   57   1HB   ALA  10          1HB       ALA  10  25.457  13.209   8.548
   58   2HB   ALA  10          3HB       ALA  10  25.982  12.110   9.826
   59   3HB   ALA  10          2HB       ALA  10  25.790  11.516   8.174
   60    H    PHE  11           H        PHE  11  23.724  12.817  11.537
   61    HA   PHE  11           HA       PHE  11  24.529  10.638  13.127
   62   1HB   PHE  11          2HB       PHE  11  24.017  13.248  13.605
   63   2HB   PHE  11          1HB       PHE  11  22.574  12.521  14.291
   64    HD1  PHE  11           HD2      PHE  11  22.924  10.542  15.934
   65    HD2  PHE  11           HD1      PHE  11  26.006  13.330  14.894
   66    HE1  PHE  11           HE2      PHE  11  24.166   9.943  17.972
   67    HE2  PHE  11           HE1      PHE  11  27.234  12.720  16.932
   68    HZ   PHE  11           HZ       PHE  11  26.319  11.030  18.471
   69    H    ASN  12           H        ASN  12  21.441  11.522  11.755
   70    HA   ASN  12           HA       ASN  12  20.034   9.462  13.285
   71   1HB   ASN  12          2HB       ASN  12  19.176  11.866  12.599
   72   2HB   ASN  12          1HB       ASN  12  18.731  11.033  11.109
   73   1HD2  ASN  12          1HD2      ASN  12  17.102   9.509  11.144
   74   2HD2  ASN  12          2HD2      ASN  12  16.078   9.242  12.509
   75    H    SER  13           H        SER  13  20.778  10.271   9.904
   76    HA   SER  13           HA       SER  13  19.576   7.998   8.742
   77   1HB   SER  13          2HB       SER  13  21.848   8.803   7.212
   78   2HB   SER  13          1HB       SER  13  20.141   9.089   6.883
   79    HG   SER  13           HG       SER  13  21.045  11.089   7.091
   80    H    LEU  14           H        LEU  14  22.803   8.585  10.024
   81    HA   LEU  14           HA       LEU  14  24.173   6.364   9.112
   82   1HB   LEU  14          2HB       LEU  14  25.321   8.070  10.334
   83   2HB   LEU  14          1HB       LEU  14  24.312   7.810  11.752
   84    HG   LEU  14           HG       LEU  14  25.244   5.521  11.973
   85   1HD1  LEU  14          2HD1      LEU  14  26.917   6.370   9.608
   86   2HD1  LEU  14          1HD1      LEU  14  27.420   5.085  10.705
   87   3HD1  LEU  14          3HD1      LEU  14  25.922   4.923   9.789
   88   1HD2  LEU  14          2HD2      LEU  14  27.136   7.867  12.056
   89   2HD2  LEU  14          1HD2      LEU  14  26.301   7.070  13.395
   90   3HD2  LEU  14          3HD2      LEU  14  27.633   6.257  12.573
   91    H    GLN  15           H        GLN  15  22.006   6.634  11.902
   92    HA   GLN  15           HA       GLN  15  22.354   4.144  13.055
   93   1HB   GLN  15          2HB       GLN  15  20.996   5.788  14.144
   94   2HB   GLN  15          1HB       GLN  15  19.883   5.859  12.785
   95   1HG   GLN  15          2HG       GLN  15  19.907   3.159  13.603
   96   2HG   GLN  15          1HG       GLN  15  19.838   4.117  15.081
   97   1HE2  GLN  15          2HD2      GLN  15  16.412   3.513  13.605
   98   2HE2  GLN  15          1HD2      GLN  15  17.752   2.472  13.932
   99    H    ALA  16           H        ALA  16  20.217   5.059  10.372
  100    HA   ALA  16           HA       ALA  16  19.463   2.262   9.952
  101   1HB   ALA  16          2HB       ALA  16  18.177   4.734   9.572
  102   2HB   ALA  16          1HB       ALA  16  18.446   4.067   7.961
  103   3HB   ALA  16          3HB       ALA  16  17.562   3.129   9.166
  104    H    SER  17           H        SER  17  22.192   3.535   9.367
  105    HA   SER  17           HA       SER  17  22.536   2.256   6.769
  106   1HB   SER  17          2HB       SER  17  22.844   5.175   7.268
  107   2HB   SER  17          1HB       SER  17  24.015   4.388   6.216
  108    HG   SER  17           HG       SER  17  22.465   4.733   4.781
  109    H    ALA  18           H        ALA  18  23.448   0.967   8.751
  110    HA   ALA  18           HA       ALA  18  25.969   1.818   9.815
  111   1HB   ALA  18          2HB       ALA  18  24.328  -0.673   9.911
  112   2HB   ALA  18          1HB       ALA  18  26.034  -0.768  10.352
  113   3HB   ALA  18          3HB       ALA  18  24.955   0.314  11.233
  114    H    THR  19           H        THR  19  25.039  -0.691   7.460
  115    HA   THR  19           HA       THR  19  27.824  -0.925   6.604
  116    HB   THR  19           HB       THR  19  26.329  -2.926   7.004
  117    HG1  THR  19           HG1      THR  19  28.219  -3.180   5.857
  118   1HG2  THR  19          1HG2      THR  19  24.733  -1.592   4.994
  119   2HG2  THR  19          3HG2      THR  19  25.220  -3.190   4.430
  120   3HG2  THR  19          2HG2      THR  19  24.346  -3.021   5.954
  121    H    GLU  20           H        GLU  20  25.911   1.410   6.015
  122    HA   GLU  20           HA       GLU  20  25.834   1.341   3.109
  123   1HB   GLU  20          2HB       GLU  20  24.400   2.687   5.173
  124   2HB   GLU  20          1HB       GLU  20  25.150   3.896   4.139
  125   1HG   GLU  20          2HG       GLU  20  23.238   1.700   3.328
  126   2HG   GLU  20          1HG       GLU  20  22.991   3.441   3.224
  127    H    TYR  21           H        TYR  21  28.097   2.042   5.419
  128    HA   TYR  21           HA       TYR  21  29.395   4.128   3.798
  129   1HB   TYR  21          2HB       TYR  21  29.467   3.423   6.695
  130   2HB   TYR  21          1HB       TYR  21  30.867   4.200   5.973
  131    HD1  TYR  21           HD1      TYR  21  30.671   6.481   5.020
  132    HD2  TYR  21           HD2      TYR  21  27.409   4.605   7.047
  133    HE1  TYR  21           HE1      TYR  21  29.542   8.659   5.232
  134    HE2  TYR  21           HE2      TYR  21  26.290   6.789   7.255
  135    HH   TYR  21           HH       TYR  21  27.046   9.253   7.296
  136    H    ILE  22           H        ILE  22  29.610   0.832   4.787
  137    HA   ILE  22           HA       ILE  22  32.449   0.613   4.227
  138    HB   ILE  22           HB       ILE  22  30.303  -1.389   4.941
  139   1HG1  ILE  22          2HG1      ILE  22  31.254   0.274   6.684
  140   2HG1  ILE  22          1HG1      ILE  22  31.210  -1.440   7.129
  141   1HG2  ILE  22          3HG2      ILE  22  33.205  -1.869   4.264
  142   2HG2  ILE  22          2HG2      ILE  22  32.303  -2.981   5.296
  143   3HG2  ILE  22          1HG2      ILE  22  31.777  -2.690   3.635
  144   1HD1  ILE  22          1HD1      ILE  22  33.726  -1.042   5.910
  145   2HD1  ILE  22          3HD1      ILE  22  33.474   0.343   6.973
  146   3HD1  ILE  22          2HD1      ILE  22  33.381  -1.295   7.617
  147    H    GLY  23           H        GLY  23  29.950   1.097   2.270
  148   1HA   GLY  23          2HA       GLY  23  30.801  -0.856   0.254
  149   2HA   GLY  23          1HA       GLY  23  29.266   0.009   0.237
  150    H    TYR  24           H        TYR  24  31.538   2.251   1.119
  151    HA   TYR  24           HA       TYR  24  32.362   2.900  -1.610
  152   1HB   TYR  24          2HB       TYR  24  31.244   5.103   0.073
  153   2HB   TYR  24          1HB       TYR  24  31.400   4.982  -1.665
  154    HD1  TYR  24           HD1      TYR  24  30.065   2.970  -2.741
  155    HD2  TYR  24           HD2      TYR  24  29.065   4.851   0.973
  156    HE1  TYR  24           HE1      TYR  24  27.745   2.165  -2.944
  157    HE2  TYR  24           HE2      TYR  24  26.760   4.040   0.754
  158    HH   TYR  24           HH       TYR  24  25.237   3.183  -0.727
  159    H    ALA  25           H        ALA  25  32.629   3.761   1.855
  160    HA   ALA  25           HA       ALA  25  35.164   5.090   1.462
  161   1HB   ALA  25          3HB       ALA  25  33.738   4.210   3.980
  162   2HB   ALA  25          2HB       ALA  25  35.173   5.238   3.924
  163   3HB   ALA  25          1HB       ALA  25  33.648   5.813   3.246
  164    H    TRP  26           H        TRP  26  34.196   1.910   1.488
  165    HA   TRP  26           HA       TRP  26  36.513   0.800   2.845
  166   1HB   TRP  26          2HB       TRP  26  34.795  -0.545   3.367
  167   2HB   TRP  26          1HB       TRP  26  33.876  -0.057   1.966
  168    HD1  TRP  26          1HD       TRP  26  33.516  -1.862   0.279
  169    HE1  TRP  26          1HE       TRP  26  34.689  -4.013  -0.322
  170    HE3  TRP  26          3HE       TRP  26  37.570  -1.559   3.327
  171    HZ2  TRP  26          2HZ       TRP  26  37.015  -5.457   0.323
  172    HZ3  TRP  26          3HZ       TRP  26  39.259  -3.353   3.293
  173    HH2  TRP  26           HH2      TRP  26  38.989  -5.288   1.796
  174    H    ALA  27           H        ALA  27  35.014   0.665  -0.363
  175    HA   ALA  27           HA       ALA  27  37.024  -0.774  -1.627
  176   1HB   ALA  27          2HB       ALA  27  34.702   0.773  -2.409
  177   2HB   ALA  27          1HB       ALA  27  36.028   1.016  -3.548
  178   3HB   ALA  27          3HB       ALA  27  35.442  -0.614  -3.214
  179    H    MET  28           H        MET  28  36.581   2.762  -1.500
  180    HA   MET  28           HA       MET  28  38.839   3.539  -2.899
  181   1HB   MET  28          2HB       MET  28  36.969   4.777  -1.057
  182   2HB   MET  28          1HB       MET  28  38.595   5.368  -0.772
  183   1HG   MET  28          2HG       MET  28  37.165   6.671  -2.447
  184   2HG   MET  28          1HG       MET  28  38.789   6.247  -2.961
  185   1HE   MET  28          1HE       MET  28  36.445   7.209  -4.867
  186   2HE   MET  28          3HE       MET  28  38.021   6.769  -5.541
  187   3HE   MET  28          2HE       MET  28  36.545   6.091  -6.226
  188    H    VAL  29           H        VAL  29  38.511   2.401   0.386
  189    HA   VAL  29           HA       VAL  29  41.095   3.118   1.311
  190    HB   VAL  29           HB       VAL  29  38.799   1.572   2.238
  191   1HG1  VAL  29          3HG1      VAL  29  41.545   0.626   3.048
  192   2HG1  VAL  29          2HG1      VAL  29  40.092   0.340   4.010
  193   3HG1  VAL  29          1HG1      VAL  29  40.219  -0.333   2.383
  194   1HG2  VAL  29          3HG2      VAL  29  40.352   3.776   3.019
  195   2HG2  VAL  29          2HG2      VAL  29  38.901   3.142   3.799
  196   3HG2  VAL  29          1HG2      VAL  29  40.496   2.582   4.311
  197    H    VAL  30           H        VAL  30  39.803   0.317  -0.387
  198    HA   VAL  30           HA       VAL  30  42.054  -1.359  -0.172
  199    HB   VAL  30           HB       VAL  30  39.886  -1.176  -2.260
  200   1HG1  VAL  30          2HG1      VAL  30  41.922  -2.344  -3.056
  201   2HG1  VAL  30          1HG1      VAL  30  41.756  -3.470  -1.709
  202   3HG1  VAL  30          3HG1      VAL  30  40.506  -3.391  -2.950
  203   1HG2  VAL  30          2HG2      VAL  30  39.188  -1.628   0.105
  204   2HG2  VAL  30          1HG2      VAL  30  38.787  -2.915  -1.037
  205   3HG2  VAL  30          3HG2      VAL  30  40.166  -3.097   0.050
  206    H    VAL  31           H        VAL  31  41.288   1.348  -2.240
  207    HA   VAL  31           HA       VAL  31  43.344   0.824  -4.168
  208    HB   VAL  31           HB       VAL  31  41.678   3.263  -3.584
  209   1HG1  VAL  31          3HG1      VAL  31  43.885   2.794  -5.467
  210   2HG1  VAL  31          2HG1      VAL  31  42.439   3.530  -6.164
  211   3HG1  VAL  31          1HG1      VAL  31  43.255   4.302  -4.803
  212   1HG2  VAL  31          1HG2      VAL  31  40.635   1.037  -4.429
  213   2HG2  VAL  31          3HG2      VAL  31  40.206   2.544  -5.239
  214   3HG2  VAL  31          2HG2      VAL  31  41.395   1.460  -5.964
  215    H    ILE  32           H        ILE  32  43.082   2.452  -1.147
  216    HA   ILE  32           HA       ILE  32  45.554   3.947  -1.459
  217    HB   ILE  32           HB       ILE  32  43.735   3.553   0.916
  218   1HG1  ILE  32          2HG1      ILE  32  44.052   5.897  -0.965
  219   2HG1  ILE  32          1HG1      ILE  32  42.702   4.766  -0.956
  220   1HG2  ILE  32          3HG2      ILE  32  46.346   4.875   0.610
  221   2HG2  ILE  32          2HG2      ILE  32  45.104   5.847   1.405
  222   3HG2  ILE  32          1HG2      ILE  32  45.543   4.267   2.059
  223   1HD1  ILE  32          3HD1      ILE  32  43.495   6.538   1.367
  224   2HD1  ILE  32          2HD1      ILE  32  42.174   6.869   0.244
  225   3HD1  ILE  32          1HD1      ILE  32  42.099   5.460   1.304
  226    H    VAL  33           H        VAL  33  44.464   0.915  -0.165
  227    HA   VAL  33           HA       VAL  33  46.730   0.413   1.502
  228    HB   VAL  33           HB       VAL  33  44.497  -1.280   0.399
  229   1HG1  VAL  33          2HG1      VAL  33  46.816  -2.060   2.130
  230   2HG1  VAL  33          1HG1      VAL  33  45.286  -2.939   2.165
  231   3HG1  VAL  33          3HG1      VAL  33  46.213  -2.839   0.668
  232   1HG2  VAL  33          3HG2      VAL  33  44.309   0.561   2.295
  233   2HG2  VAL  33          2HG2      VAL  33  43.426  -0.964   2.393
  234   3HG2  VAL  33          1HG2      VAL  33  44.929  -0.754   3.294
  235    H    GLY  34           H        GLY  34  45.868  -0.128  -1.845
  236   1HA   GLY  34          2HA       GLY  34  47.932  -2.035  -2.416
  237   2HA   GLY  34          1HA       GLY  34  46.980  -1.140  -3.602
  238    H    ALA  35           H        ALA  35  47.536   1.393  -3.365
  239    HA   ALA  35           HA       ALA  35  50.023   1.840  -4.481
  240   1HB   ALA  35          3HB       ALA  35  48.016   3.440  -4.240
  241   2HB   ALA  35          2HB       ALA  35  48.721   3.871  -2.681
  242   3HB   ALA  35          1HB       ALA  35  49.636   4.140  -4.166
  243    H    THR  36           H        THR  36  49.126   1.448  -1.156
  244    HA   THR  36           HA       THR  36  51.482   2.477   0.067
  245    HB   THR  36           HB       THR  36  49.363   0.524   0.959
  246    HG1  THR  36           HG1      THR  36  48.889   2.822   0.636
  247   1HG2  THR  36          2HG2      THR  36  51.864   1.386   2.298
  248   2HG2  THR  36          1HG2      THR  36  50.401   1.330   3.283
  249   3HG2  THR  36          3HG2      THR  36  50.957  -0.122   2.447
  250    H    ILE  37           H        ILE  37  50.460  -0.725  -1.039
  251    HA   ILE  37           HA       ILE  37  52.644  -2.216  -0.084
  252    HB   ILE  37           HB       ILE  37  50.881  -2.610  -2.498
  253   1HG1  ILE  37          2HG1      ILE  37  50.816  -3.773   0.272
  254   2HG1  ILE  37          1HG1      ILE  37  49.667  -2.627  -0.408
  255   1HG2  ILE  37          2HG2      ILE  37  53.030  -3.829  -2.714
  256   2HG2  ILE  37          1HG2      ILE  37  52.678  -4.647  -1.189
  257   3HG2  ILE  37          3HG2      ILE  37  51.630  -4.896  -2.586
  258   1HD1  ILE  37          3HD1      ILE  37  49.632  -4.672  -2.252
  259   2HD1  ILE  37          2HD1      ILE  37  49.829  -5.539  -0.729
  260   3HD1  ILE  37          1HD1      ILE  37  48.455  -4.455  -0.956
  261    H    GLY  38           H        GLY  38  52.248  -0.144  -2.860
  262   1HA   GLY  38          2HA       GLY  38  54.508  -0.967  -4.361
  263   2HA   GLY  38          1HA       GLY  38  53.697   0.596  -4.480
  264    H    ILE  39           H        ILE  39  54.115   2.052  -2.546
  265    HA   ILE  39           HA       ILE  39  56.775   2.804  -2.485
  266    HB   ILE  39           HB       ILE  39  54.678   3.278  -0.368
  267   1HG1  ILE  39          2HG1      ILE  39  55.281   5.459  -2.200
  268   2HG1  ILE  39          1HG1      ILE  39  54.645   4.049  -3.036
  269   1HG2  ILE  39          1HG2      ILE  39  57.326   4.559  -0.959
  270   2HG2  ILE  39          3HG2      ILE  39  56.067   5.385  -0.039
  271   3HG2  ILE  39          2HG2      ILE  39  56.751   3.873   0.562
  272   1HD1  ILE  39          2HD1      ILE  39  53.201   4.694  -0.568
  273   2HD1  ILE  39          1HD1      ILE  39  53.124   5.967  -1.789
  274   3HD1  ILE  39          3HD1      ILE  39  52.577   4.334  -2.180
  275    H    LYS  40           H        LYS  40  55.019   0.652  -0.281
  276    HA   LYS  40           HA       LYS  40  56.959   0.365   1.694
  277   1HB   LYS  40          2HB       LYS  40  54.502  -0.572   1.429
  278   2HB   LYS  40          1HB       LYS  40  55.354  -1.987   0.821
  279   1HG   LYS  40          2HG       LYS  40  55.468  -2.563   2.996
  280   2HG   LYS  40          1HG       LYS  40  56.799  -1.410   3.054
  281   1HD   LYS  40          2HD       LYS  40  53.973  -0.498   3.452
  282   2HD   LYS  40          1HD       LYS  40  54.864  -1.216   4.791
  283   1HE   LYS  40          2HE       LYS  40  55.477   1.321   3.268
  284   2HE   LYS  40          1HE       LYS  40  55.192   1.128   4.996
  285   1HZ   LYS  40          3HZ       LYS  40  57.296  -0.458   4.670
  286   2HZ   LYS  40          2HZ       LYS  40  57.613   0.697   3.467
  287   3HZ   LYS  40          1HZ       LYS  40  57.411   1.182   5.081
  288    H    LEU  41           H        LEU  41  56.472  -1.443  -1.318
  289    HA   LEU  41           HA       LEU  41  58.500  -3.328  -1.057
  290   1HB   LEU  41          2HB       LEU  41  57.212  -1.981  -3.405
  291   2HB   LEU  41          1HB       LEU  41  58.558  -3.081  -3.657
  292    HG   LEU  41           HG       LEU  41  55.936  -3.712  -2.301
  293   1HD1  LEU  41          1HD1      LEU  41  57.132  -4.591  -4.926
  294   2HD1  LEU  41          3HD1      LEU  41  55.697  -5.316  -4.200
  295   3HD1  LEU  41          2HD1      LEU  41  55.680  -3.618  -4.681
  296   1HD2  LEU  41          1HD2      LEU  41  58.515  -5.186  -2.374
  297   2HD2  LEU  41          3HD2      LEU  41  57.252  -5.169  -1.142
  298   3HD2  LEU  41          2HD2      LEU  41  57.042  -6.126  -2.608
  299    H    PHE  42           H        PHE  42  58.628   0.053  -1.930
  300    HA   PHE  42           HA       PHE  42  61.288   0.099  -2.930
  301   1HB   PHE  42          2HB       PHE  42  59.392   1.846  -3.149
  302   2HB   PHE  42          1HB       PHE  42  59.960   2.431  -1.592
  303    HD1  PHE  42           HD1      PHE  42  60.844   1.931  -5.130
  304    HD2  PHE  42           HD2      PHE  42  62.024   3.627  -1.394
  305    HE1  PHE  42           HE1      PHE  42  62.601   3.225  -6.273
  306    HE2  PHE  42           HE2      PHE  42  63.783   4.921  -2.537
  307    HZ   PHE  42           HZ       PHE  42  64.071   4.720  -4.977
  308    H    LYS  43           H        LYS  43  59.928   1.063   0.224
  309    HA   LYS  43           HA       LYS  43  62.373   1.650   1.470
  310   1HB   LYS  43          2HB       LYS  43  59.684   0.864   2.548
  311   2HB   LYS  43          1HB       LYS  43  61.026   1.395   3.565
  312   1HG   LYS  43          2HG       LYS  43  60.613   3.134   1.263
  313   2HG   LYS  43          1HG       LYS  43  59.184   3.017   2.267
  314   1HD   LYS  43          2HD       LYS  43  60.433   3.714   4.245
  315   2HD   LYS  43          1HD       LYS  43  61.936   3.701   3.329
  316   1HE   LYS  43          2HE       LYS  43  59.843   5.757   3.498
  317   2HE   LYS  43          1HE       LYS  43  61.555   5.912   3.110
  318   1HZ   LYS  43          3HZ       LYS  43  61.002   5.013   0.871
  319   2HZ   LYS  43          2HZ       LYS  43  59.357   5.124   1.278
  320   3HZ   LYS  43          1HZ       LYS  43  60.312   6.527   1.204
  321    H    LYS  44           H        LYS  44  61.012  -1.384   0.641
  322    HA   LYS  44           HA       LYS  44  62.394  -2.833   2.759
  323   1HB   LYS  44          2HB       LYS  44  60.056  -3.315   1.457
  324   2HB   LYS  44          1HB       LYS  44  61.152  -4.316   0.518
  325   1HG   LYS  44          2HG       LYS  44  61.025  -4.490   3.537
  326   2HG   LYS  44          1HG       LYS  44  59.937  -5.402   2.496
  327   1HD   LYS  44          2HD       LYS  44  61.754  -6.661   1.485
  328   2HD   LYS  44          1HD       LYS  44  62.970  -5.533   2.079
  329   1HE   LYS  44          2HE       LYS  44  61.532  -7.749   3.515
  330   2HE   LYS  44          1HE       LYS  44  63.233  -7.292   3.589
  331   1HZ   LYS  44          3HZ       LYS  44  62.454  -5.239   4.786
  332   2HZ   LYS  44          2HZ       LYS  44  60.931  -5.978   4.914
  333   3HZ   LYS  44          1HZ       LYS  44  62.290  -6.696   5.638
  334    H    PHE  45           H        PHE  45  62.668  -2.228  -0.695
  335    HA   PHE  45           HA       PHE  45  64.908  -4.049  -1.021
  336   1HB   PHE  45          2HB       PHE  45  63.264  -2.293  -2.768
  337   2HB   PHE  45          1HB       PHE  45  64.890  -2.671  -3.292
  338    HD1  PHE  45           HD2      PHE  45  65.578  -5.121  -3.515
  339    HD2  PHE  45           HD1      PHE  45  61.500  -3.898  -3.011
  340    HE1  PHE  45           HE2      PHE  45  64.809  -7.299  -4.352
  341    HE2  PHE  45           HE1      PHE  45  60.752  -6.081  -3.849
  342    HZ   PHE  45           HZ       PHE  45  62.401  -7.781  -4.519
  343    H    THR  46           H        THR  46  64.338  -0.683  -0.407
  344    HA   THR  46           HA       THR  46  67.071   0.074  -1.034
  345    HB   THR  46           HB       THR  46  66.315   2.305  -0.573
  346    HG1  THR  46           HG1      THR  46  63.769   1.314   0.102
  347   1HG2  THR  46          3HG2      THR  46  65.105   0.567  -2.487
  348   2HG2  THR  46          2HG2      THR  46  63.911   1.757  -1.962
  349   3HG2  THR  46          1HG2      THR  46  65.455   2.292  -2.629
  350    H    SER  47           H        SER  47  65.285  -1.038   1.663
  351    HA   SER  47           HA       SER  47  67.009   0.227   3.641
  352   1HB   SER  47          2HB       SER  47  64.626  -1.594   3.785
  353   2HB   SER  47          1HB       SER  47  65.626  -1.288   5.200
  354    HG   SER  47           HG       SER  47  64.796   0.668   5.329
  355    H    LYS  48           H        LYS  48  66.930  -2.644   1.771
  356    HA   LYS  48           HA       LYS  48  67.986  -4.639   3.275
  357   1HB   LYS  48          2HB       LYS  48  68.475  -3.775   0.452
  358   2HB   LYS  48          1HB       LYS  48  69.440  -5.085   1.122
  359   1HG   LYS  48          2HG       LYS  48  66.463  -5.189   1.420
  360   2HG   LYS  48          1HG       LYS  48  67.176  -5.562  -0.145
  361   1HD   LYS  48          2HD       LYS  48  68.115  -7.505   0.575
  362   2HD   LYS  48          1HD       LYS  48  68.447  -6.878   2.184
  363   1HE   LYS  48          2HE       LYS  48  66.200  -7.273   2.896
  364   2HE   LYS  48          1HE       LYS  48  65.660  -7.579   1.246
  365   1HZ   LYS  48          3HZ       LYS  48  67.699  -9.365   1.705
  366   2HZ   LYS  48          2HZ       LYS  48  66.781  -9.372   3.134
  367   3HZ   LYS  48          1HZ       LYS  48  66.038  -9.704   1.643
  368    H    ALA  49           H        ALA  49  70.018  -2.259   1.552
  369    HA   ALA  49           HA       ALA  49  72.159  -1.546   1.908
  370   1HB   ALA  49          3HB       ALA  49  71.146  -1.866   4.727
  371   2HB   ALA  49          2HB       ALA  49  72.734  -1.187   4.359
  372   3HB   ALA  49          1HB       ALA  49  71.273  -0.386   3.776
  373    H    SER  50           H        SER  50  72.208  -3.553   4.803
  374    HA   SER  50           HA       SER  50  73.639  -5.225   5.447
  375   1HB   SER  50          2HB       SER  50  72.053  -6.347   3.787
  376   2HB   SER  50          1HB       SER  50  73.369  -6.235   2.624
  377    HG   SER  50           HG       SER  50  73.293  -8.243   3.863
   
  No H/Q in entry =         377
  Start of MODEL   24
    1   1H    ALA   1          1H        ALA   1  25.180   8.529  24.696
    2   2H    ALA   1          3H        ALA   1  26.062   7.096  24.910
    3   3H    ALA   1          2H        ALA   1  26.536   8.512  25.719
    4    HA   ALA   1           HA       ALA   1  27.836   9.086  24.061
    5   1HB   ALA   1          3HB       ALA   1  27.969   6.572  23.741
    6   2HB   ALA   1          2HB       ALA   1  26.746   6.742  22.478
    7   3HB   ALA   1          1HB       ALA   1  28.321   7.518  22.290
    8    H    GLU   2           H        GLU   2  27.921   9.829  21.741
    9    HA   GLU   2           HA       GLU   2  25.981  11.682  21.174
   10   1HB   GLU   2          2HB       GLU   2  27.817  10.217  19.282
   11   2HB   GLU   2          1HB       GLU   2  26.864  11.629  18.831
   12   1HG   GLU   2          2HG       GLU   2  28.851  11.600  21.109
   13   2HG   GLU   2          1HG       GLU   2  29.234  12.148  19.476
   14    H    GLY   3           H        GLY   3  23.920  11.537  20.596
   15   1HA   GLY   3          2HA       GLY   3  21.973  10.816  19.607
   16   2HA   GLY   3          1HA       GLY   3  22.958   9.785  18.571
   17    H    ASP   4           H        ASP   4  20.708   9.825  21.044
   18    HA   ASP   4           HA       ASP   4  21.399   7.080  21.893
   19   1HB   ASP   4          2HB       ASP   4  21.076   9.243  23.504
   20   2HB   ASP   4          1HB       ASP   4  19.437   8.590  23.488
   21    H    ASP   5           H        ASP   5  20.338   6.334  19.929
   22    HA   ASP   5           HA       ASP   5  18.571   5.429  18.783
   23   1HB   ASP   5          2HB       ASP   5  18.207   4.298  20.933
   24   2HB   ASP   5          1HB       ASP   5  17.222   5.656  21.479
   25    HA   PRO   6           HA       PRO   6  16.405   9.356  18.052
   26   1HB   PRO   6          2HB       PRO   6  16.825   9.413  15.374
   27   2HB   PRO   6          1HB       PRO   6  17.994  10.005  16.563
   28   1HG   PRO   6          2HG       PRO   6  18.120   7.621  14.878
   29   2HG   PRO   6          1HG       PRO   6  19.411   8.452  15.754
   30   1HD   PRO   6          2HD       PRO   6  18.017   6.054  16.511
   31   2HD   PRO   6          1HD       PRO   6  19.356   6.864  17.346
   32    H    ALA   7           H        ALA   7  16.196   6.484  15.968
   33    HA   ALA   7           HA       ALA   7  14.375   5.207  15.378
   34   1HB   ALA   7          2HB       ALA   7  13.338   6.603  17.504
   35   2HB   ALA   7          1HB       ALA   7  12.260   7.060  16.184
   36   3HB   ALA   7          3HB       ALA   7  12.488   5.358  16.587
   37    H    LYS   8           H        LYS   8  13.923   8.714  14.957
   38    HA   LYS   8           HA       LYS   8  13.105   8.169  12.181
   39   1HB   LYS   8          2HB       LYS   8  12.069  10.608  12.615
   40   2HB   LYS   8          1HB       LYS   8  11.180   9.114  12.862
   41   1HG   LYS   8          2HG       LYS   8  12.020   9.209  15.290
   42   2HG   LYS   8          1HG       LYS   8  12.510  10.860  14.927
   43   1HD   LYS   8          2HD       LYS   8  10.227  10.601  16.006
   44   2HD   LYS   8          1HD       LYS   8  10.295  11.578  14.546
   45   1HE   LYS   8          2HE       LYS   8   8.363   9.898  14.758
   46   2HE   LYS   8          1HE       LYS   8   9.257   9.907  13.239
   47   1HZ   LYS   8          3HZ       LYS   8  10.409   8.137  15.167
   48   2HZ   LYS   8          2HZ       LYS   8   8.788   7.746  14.840
   49   3HZ   LYS   8          1HZ       LYS   8   9.918   7.826  13.575
   50    H    ALA   9           H        ALA   9  14.207  10.997  14.065
   51    HA   ALA   9           HA       ALA   9  15.325  12.495  12.097
   52   1HB   ALA   9          3HB       ALA   9  16.217  12.075  14.939
   53   2HB   ALA   9          2HB       ALA   9  16.994  13.254  13.878
   54   3HB   ALA   9          1HB       ALA   9  15.279  13.409  14.264
   55    H    ALA  10           H        ALA  10  17.775  11.019  14.147
   56    HA   ALA  10           HA       ALA  10  19.675  10.841  12.085
   57   1HB   ALA  10          1HB       ALA  10  19.540  10.280  14.890
   58   2HB   ALA  10          3HB       ALA  10  20.335   8.936  14.067
   59   3HB   ALA  10          2HB       ALA  10  20.962  10.577  13.888
   60    H    PHE  11           H        PHE  11  17.159   8.668  13.077
   61    HA   PHE  11           HA       PHE  11  18.212   6.278  11.952
   62   1HB   PHE  11          2HB       PHE  11  16.138   6.776  13.553
   63   2HB   PHE  11          1HB       PHE  11  15.279   6.727  12.024
   64    HD1  PHE  11           HD2      PHE  11  17.720   4.783  14.073
   65    HD2  PHE  11           HD1      PHE  11  14.613   4.637  11.127
   66    HE1  PHE  11           HE2      PHE  11  17.728   2.326  14.172
   67    HE2  PHE  11           HE1      PHE  11  14.635   2.182  11.239
   68    HZ   PHE  11           HZ       PHE  11  16.188   1.026  12.757
   69    H    ASN  12           H        ASN  12  16.548   9.038  10.648
   70    HA   ASN  12           HA       ASN  12  15.966   7.738   8.108
   71   1HB   ASN  12          2HB       ASN  12  14.532   9.539   9.265
   72   2HB   ASN  12          1HB       ASN  12  15.734  10.683   8.667
   73   1HD2  ASN  12          2HD2      ASN  12  12.849   9.993   6.245
   74   2HD2  ASN  12          1HD2      ASN  12  12.861  10.194   7.961
   75    H    SER  13           H        SER  13  18.312   9.935   9.495
   76    HA   SER  13           HA       SER  13  19.534  10.551   6.936
   77   1HB   SER  13          2HB       SER  13  21.155  11.276   9.194
   78   2HB   SER  13          1HB       SER  13  20.321  12.318   8.042
   79    HG   SER  13           HG       SER  13  19.732  12.149  10.518
   80    H    LEU  14           H        LEU  14  20.183   8.533   9.756
   81    HA   LEU  14           HA       LEU  14  22.793   7.731   8.850
   82   1HB   LEU  14          2HB       LEU  14  22.075   7.821  11.256
   83   2HB   LEU  14          1HB       LEU  14  21.050   6.426  10.932
   84    HG   LEU  14           HG       LEU  14  23.279   5.380   9.991
   85   1HD1  LEU  14          1HD1      LEU  14  24.509   7.596  10.306
   86   2HD1  LEU  14          3HD1      LEU  14  24.486   7.244  12.035
   87   3HD1  LEU  14          2HD1      LEU  14  25.317   6.156  10.924
   88   1HD2  LEU  14          1HD2      LEU  14  22.630   5.658  12.934
   89   2HD2  LEU  14          3HD2      LEU  14  22.260   4.305  11.855
   90   3HD2  LEU  14          2HD2      LEU  14  23.926   4.623  12.340
   91    H    GLN  15           H        GLN  15  19.542   6.351   8.797
   92    HA   GLN  15           HA       GLN  15  20.208   3.780   7.864
   93   1HB   GLN  15          2HB       GLN  15  18.005   4.329   8.756
   94   2HB   GLN  15          1HB       GLN  15  17.706   5.410   7.399
   95   1HG   GLN  15          2HG       GLN  15  18.192   3.269   5.960
   96   2HG   GLN  15          1HG       GLN  15  17.803   2.417   7.453
   97   1HE2  GLN  15          2HD2      GLN  15  14.479   2.525   6.360
   98   2HE2  GLN  15          1HD2      GLN  15  15.883   1.561   6.652
   99    H    ALA  16           H        ALA  16  19.655   6.824   6.192
  100    HA   ALA  16           HA       ALA  16  19.970   5.571   3.572
  101   1HB   ALA  16          3HB       ALA  16  19.029   8.177   4.603
  102   2HB   ALA  16          2HB       ALA  16  19.846   8.209   3.039
  103   3HB   ALA  16          1HB       ALA  16  18.417   7.199   3.268
  104    H    SER  17           H        SER  17  22.160   6.000   5.741
  105    HA   SER  17           HA       SER  17  24.214   6.832   3.835
  106   1HB   SER  17          2HB       SER  17  23.764   8.135   6.517
  107   2HB   SER  17          1HB       SER  17  25.274   8.260   5.621
  108    HG   SER  17           HG       SER  17  24.321   9.820   4.555
  109    H    ALA  18           H        ALA  18  23.346   4.328   5.131
  110    HA   ALA  18           HA       ALA  18  25.627   3.714   6.881
  111   1HB   ALA  18          3HB       ALA  18  22.892   2.725   6.605
  112   2HB   ALA  18          2HB       ALA  18  24.088   1.431   6.718
  113   3HB   ALA  18          1HB       ALA  18  23.985   2.652   7.989
  114    H    THR  19           H        THR  19  23.909   2.253   4.114
  115    HA   THR  19           HA       THR  19  26.374   0.817   3.395
  116    HB   THR  19           HB       THR  19  24.939  -0.516   1.933
  117    HG1  THR  19           HG1      THR  19  23.018   0.155   1.417
  118   1HG2  THR  19          2HG2      THR  19  24.044  -0.199   4.796
  119   2HG2  THR  19          1HG2      THR  19  23.376  -1.444   3.740
  120   3HG2  THR  19          3HG2      THR  19  25.102  -1.434   4.109
  121    H    GLU  20           H        GLU  20  25.169   3.759   2.743
  122    HA   GLU  20           HA       GLU  20  25.519   3.711  -0.137
  123   1HB   GLU  20          2HB       GLU  20  24.084   5.313   1.684
  124   2HB   GLU  20          1HB       GLU  20  25.302   6.354   0.954
  125   1HG   GLU  20          2HG       GLU  20  23.143   6.315  -0.298
  126   2HG   GLU  20          1HG       GLU  20  24.524   5.803  -1.266
  127    H    TYR  21           H        TYR  21  27.497   3.985   2.538
  128    HA   TYR  21           HA       TYR  21  29.493   5.581   1.067
  129   1HB   TYR  21          2HB       TYR  21  28.930   5.211   3.977
  130   2HB   TYR  21          1HB       TYR  21  30.556   5.622   3.451
  131    HD1  TYR  21           HD2      TYR  21  30.930   7.737   2.151
  132    HD2  TYR  21           HD1      TYR  21  27.196   6.841   4.028
  133    HE1  TYR  21           HE2      TYR  21  30.277  10.107   1.997
  134    HE2  TYR  21           HE1      TYR  21  26.552   9.212   3.868
  135    HH   TYR  21           HH       TYR  21  27.600  11.396   3.657
  136    H    ILE  22           H        ILE  22  28.746   2.419   2.101
  137    HA   ILE  22           HA       ILE  22  31.530   1.564   2.249
  138    HB   ILE  22           HB       ILE  22  28.949  -0.019   2.384
  139   1HG1  ILE  22          2HG1      ILE  22  30.673   1.204   4.576
  140   2HG1  ILE  22          1HG1      ILE  22  28.930   1.348   4.336
  141   1HG2  ILE  22          2HG2      ILE  22  31.830  -0.850   2.764
  142   2HG2  ILE  22          1HG2      ILE  22  30.501  -1.776   3.459
  143   3HG2  ILE  22          3HG2      ILE  22  30.602  -1.553   1.714
  144   1HD1  ILE  22          2HD1      ILE  22  28.905  -1.224   4.760
  145   2HD1  ILE  22          1HD1      ILE  22  30.499  -0.949   5.468
  146   3HD1  ILE  22          3HD1      ILE  22  29.085  -0.123   6.128
  147    H    GLY  23           H        GLY  23  29.599   2.348  -0.209
  148   1HA   GLY  23          2HA       GLY  23  30.484   0.138  -1.923
  149   2HA   GLY  23          1HA       GLY  23  29.156   1.234  -2.301
  150    H    TYR  24           H        TYR  24  31.512   3.174  -1.062
  151    HA   TYR  24           HA       TYR  24  33.040   3.440  -3.530
  152   1HB   TYR  24          2HB       TYR  24  31.969   5.969  -2.385
  153   2HB   TYR  24          1HB       TYR  24  32.397   5.564  -4.031
  154    HD1  TYR  24           HD1      TYR  24  30.923   3.702  -5.145
  155    HD2  TYR  24           HD2      TYR  24  29.669   6.122  -1.843
  156    HE1  TYR  24           HE1      TYR  24  28.563   3.238  -5.685
  157    HE2  TYR  24           HE2      TYR  24  27.323   5.649  -2.396
  158    HH   TYR  24           HH       TYR  24  26.035   3.841  -3.595
  159    H    ALA  25           H        ALA  25  32.542   4.641  -0.196
  160    HA   ALA  25           HA       ALA  25  35.245   5.600   0.043
  161   1HB   ALA  25          1HB       ALA  25  33.306   6.521   1.335
  162   2HB   ALA  25          3HB       ALA  25  33.238   4.997   2.223
  163   3HB   ALA  25          2HB       ALA  25  34.666   6.029   2.348
  164    H    TRP  26           H        TRP  26  33.851   2.562  -0.034
  165    HA   TRP  26           HA       TRP  26  35.633   1.281   1.867
  166   1HB   TRP  26          2HB       TRP  26  33.679   0.193   2.050
  167   2HB   TRP  26          1HB       TRP  26  33.155   0.689   0.463
  168    HD1  TRP  26          1HD       TRP  26  32.968  -1.166  -1.218
  169    HE1  TRP  26          1HE       TRP  26  33.939  -3.486  -1.434
  170    HE3  TRP  26          3HE       TRP  26  36.179  -1.174   2.723
  171    HZ2  TRP  26          2HZ       TRP  26  35.818  -5.167  -0.184
  172    HZ3  TRP  26          3HZ       TRP  26  37.559  -3.166   3.171
  173    HH2  TRP  26           HH2      TRP  26  37.386  -5.148   1.723
  174    H    ALA  27           H        ALA  27  34.832   0.927  -1.573
  175    HA   ALA  27           HA       ALA  27  36.918  -0.773  -2.241
  176   1HB   ALA  27          3HB       ALA  27  35.106   1.057  -3.712
  177   2HB   ALA  27          2HB       ALA  27  36.590   0.597  -4.554
  178   3HB   ALA  27          1HB       ALA  27  35.469  -0.648  -3.997
  179    H    MET  28           H        MET  28  36.798   2.778  -2.352
  180    HA   MET  28           HA       MET  28  39.307   3.263  -3.417
  181   1HB   MET  28          2HB       MET  28  37.253   4.813  -2.709
  182   2HB   MET  28          1HB       MET  28  38.261   5.046  -1.287
  183   1HG   MET  28          2HG       MET  28  38.644   6.761  -2.993
  184   2HG   MET  28          1HG       MET  28  40.087   5.820  -2.664
  185   1HE   MET  28          3HE       MET  28  37.308   6.809  -4.821
  186   2HE   MET  28          2HE       MET  28  38.595   7.497  -5.809
  187   3HE   MET  28          1HE       MET  28  37.626   6.167  -6.439
  188    H    VAL  29           H        VAL  29  38.309   2.471  -0.156
  189    HA   VAL  29           HA       VAL  29  40.643   3.162   1.235
  190    HB   VAL  29           HB       VAL  29  38.184   1.859   1.767
  191   1HG1  VAL  29          1HG1      VAL  29  40.535   0.285   2.816
  192   2HG1  VAL  29          3HG1      VAL  29  38.894   0.175   3.457
  193   3HG1  VAL  29          2HG1      VAL  29  39.226  -0.307   1.791
  194   1HG2  VAL  29          2HG2      VAL  29  40.397   2.948   3.486
  195   2HG2  VAL  29          1HG2      VAL  29  38.882   3.728   3.024
  196   3HG2  VAL  29          3HG2      VAL  29  38.867   2.369   4.149
  197    H    VAL  30           H        VAL  30  39.701   0.035  -0.186
  198    HA   VAL  30           HA       VAL  30  41.934  -1.457   0.415
  199    HB   VAL  30           HB       VAL  30  40.300  -1.508  -2.116
  200   1HG1  VAL  30          3HG1      VAL  30  42.447  -3.183  -1.059
  201   2HG1  VAL  30          2HG1      VAL  30  41.006  -4.074  -1.550
  202   3HG1  VAL  30          1HG1      VAL  30  41.834  -3.027  -2.705
  203   1HG2  VAL  30          1HG2      VAL  30  39.799  -2.472   0.654
  204   2HG2  VAL  30          3HG2      VAL  30  38.670  -1.834  -0.544
  205   3HG2  VAL  30          2HG2      VAL  30  39.265  -3.490  -0.685
  206    H    VAL  31           H        VAL  31  41.501   1.003  -2.044
  207    HA   VAL  31           HA       VAL  31  43.916   0.419  -3.461
  208    HB   VAL  31           HB       VAL  31  42.067   2.796  -3.455
  209   1HG1  VAL  31          1HG1      VAL  31  44.487   2.193  -5.126
  210   2HG1  VAL  31          3HG1      VAL  31  43.200   3.259  -5.689
  211   3HG1  VAL  31          2HG1      VAL  31  44.103   3.661  -4.228
  212   1HG2  VAL  31          2HG2      VAL  31  42.336   0.355  -5.199
  213   2HG2  VAL  31          1HG2      VAL  31  40.912   0.937  -4.332
  214   3HG2  VAL  31          3HG2      VAL  31  41.502   1.812  -5.746
  215    H    ILE  32           H        ILE  32  43.137   2.127  -0.604
  216    HA   ILE  32           HA       ILE  32  45.518   3.806  -0.675
  217    HB   ILE  32           HB       ILE  32  43.394   3.429   1.433
  218   1HG1  ILE  32          2HG1      ILE  32  43.865   5.696  -0.508
  219   2HG1  ILE  32          1HG1      ILE  32  42.614   4.467  -0.669
  220   1HG2  ILE  32          3HG2      ILE  32  45.979   4.585   1.643
  221   2HG2  ILE  32          2HG2      ILE  32  44.797   5.895   1.683
  222   3HG2  ILE  32          1HG2      ILE  32  44.685   4.568   2.843
  223   1HD1  ILE  32          2HD1      ILE  32  42.443   5.581   1.956
  224   2HD1  ILE  32          1HD1      ILE  32  42.504   6.905   0.790
  225   3HD1  ILE  32          3HD1      ILE  32  41.258   5.663   0.650
  226    H    VAL  33           H        VAL  33  44.413   0.807   0.732
  227    HA   VAL  33           HA       VAL  33  46.575   0.601   2.621
  228    HB   VAL  33           HB       VAL  33  44.373  -1.222   1.684
  229   1HG1  VAL  33          2HG1      VAL  33  46.712  -1.821   3.426
  230   2HG1  VAL  33          1HG1      VAL  33  45.155  -2.581   3.762
  231   3HG1  VAL  33          3HG1      VAL  33  45.935  -2.820   2.199
  232   1HG2  VAL  33          2HG2      VAL  33  43.883   0.735   3.193
  233   2HG2  VAL  33          1HG2      VAL  33  43.411  -0.843   3.825
  234   3HG2  VAL  33          3HG2      VAL  33  44.876  -0.059   4.417
  235    H    GLY  34           H        GLY  34  45.872  -0.393  -0.652
  236   1HA   GLY  34          2HA       GLY  34  48.098  -2.252  -0.802
  237   2HA   GLY  34          1HA       GLY  34  47.024  -1.789  -2.125
  238    H    ALA  35           H        ALA  35  47.261   0.907  -2.233
  239    HA   ALA  35           HA       ALA  35  49.533   1.409  -3.716
  240   1HB   ALA  35          3HB       ALA  35  47.987   3.384  -2.024
  241   2HB   ALA  35          2HB       ALA  35  49.083   3.800  -3.344
  242   3HB   ALA  35          1HB       ALA  35  47.595   2.910  -3.678
  243    H    THR  36           H        THR  36  49.094   1.432  -0.272
  244    HA   THR  36           HA       THR  36  51.508   2.783   0.438
  245    HB   THR  36           HB       THR  36  49.650   0.919   1.920
  246    HG1  THR  36           HG1      THR  36  49.048   2.873   2.924
  247   1HG2  THR  36          1HG2      THR  36  52.306   1.891   2.679
  248   2HG2  THR  36          3HG2      THR  36  51.046   2.268   3.857
  249   3HG2  THR  36          2HG2      THR  36  51.332   0.593   3.374
  250    H    ILE  37           H        ILE  37  50.577  -0.632   0.135
  251    HA   ILE  37           HA       ILE  37  53.007  -1.784   0.930
  252    HB   ILE  37           HB       ILE  37  50.977  -2.752  -1.076
  253   1HG1  ILE  37          2HG1      ILE  37  51.321  -3.253   1.866
  254   2HG1  ILE  37          1HG1      ILE  37  49.996  -2.396   1.092
  255   1HG2  ILE  37          2HG2      ILE  37  53.209  -4.232   0.311
  256   2HG2  ILE  37          1HG2      ILE  37  51.906  -5.003  -0.595
  257   3HG2  ILE  37          3HG2      ILE  37  53.047  -3.941  -1.422
  258   1HD1  ILE  37          3HD1      ILE  37  50.209  -4.965  -0.126
  259   2HD1  ILE  37          2HD1      ILE  37  50.230  -5.190   1.624
  260   3HD1  ILE  37          1HD1      ILE  37  48.890  -4.331   0.861
  261    H    GLY  38           H        GLY  38  51.931  -0.465  -2.142
  262   1HA   GLY  38          2HA       GLY  38  54.051  -1.349  -3.778
  263   2HA   GLY  38          1HA       GLY  38  53.045   0.070  -4.076
  264    H    ILE  39           H        ILE  39  53.883   1.061  -1.320
  265    HA   ILE  39           HA       ILE  39  56.302   2.423  -2.239
  266    HB   ILE  39           HB       ILE  39  55.000   2.957   0.395
  267   1HG1  ILE  39          2HG1      ILE  39  53.063   2.956  -0.956
  268   2HG1  ILE  39          1HG1      ILE  39  53.530   4.630  -0.761
  269   1HG2  ILE  39          1HG2      ILE  39  57.122   4.058  -0.663
  270   2HG2  ILE  39          3HG2      ILE  39  55.927   5.009  -1.546
  271   3HG2  ILE  39          2HG2      ILE  39  55.945   5.033   0.219
  272   1HD1  ILE  39          3HD1      ILE  39  54.709   4.439  -3.002
  273   2HD1  ILE  39          2HD1      ILE  39  53.865   2.900  -3.203
  274   3HD1  ILE  39          1HD1      ILE  39  52.948   4.395  -3.039
  275    H    LYS  40           H        LYS  40  55.144   0.592   0.543
  276    HA   LYS  40           HA       LYS  40  57.487   0.461   2.031
  277   1HB   LYS  40          2HB       LYS  40  54.949  -0.760   2.089
  278   2HB   LYS  40          1HB       LYS  40  56.124  -2.037   2.096
  279   1HG   LYS  40          2HG       LYS  40  55.919  -1.655   4.342
  280   2HG   LYS  40          1HG       LYS  40  57.330  -0.686   3.930
  281   1HD   LYS  40          2HD       LYS  40  54.492   0.304   4.233
  282   2HD   LYS  40          1HD       LYS  40  55.814   0.567   5.366
  283   1HE   LYS  40          2HE       LYS  40  55.743   1.569   2.509
  284   2HE   LYS  40          1HE       LYS  40  55.409   2.527   3.932
  285   1HZ   LYS  40          2HZ       LYS  40  57.900   1.151   4.113
  286   2HZ   LYS  40          1HZ       LYS  40  57.835   2.218   2.794
  287   3HZ   LYS  40          3HZ       LYS  40  57.546   2.794   4.362
  288    H    LEU  41           H        LEU  41  56.409  -1.555  -0.659
  289    HA   LEU  41           HA       LEU  41  58.508  -3.431  -0.612
  290   1HB   LEU  41          2HB       LEU  41  56.676  -2.439  -2.781
  291   2HB   LEU  41          1HB       LEU  41  57.889  -3.673  -3.090
  292    HG   LEU  41           HG       LEU  41  55.719  -3.837  -0.992
  293   1HD1  LEU  41          2HD1      LEU  41  54.916  -3.928  -3.362
  294   2HD1  LEU  41          1HD1      LEU  41  55.902  -5.377  -3.578
  295   3HD1  LEU  41          3HD1      LEU  41  54.574  -5.377  -2.414
  296   1HD2  LEU  41          1HD2      LEU  41  58.133  -5.359  -1.359
  297   2HD2  LEU  41          3HD2      LEU  41  56.900  -5.510  -0.106
  298   3HD2  LEU  41          2HD2      LEU  41  56.730  -6.393  -1.623
  299    H    PHE  42           H        PHE  42  58.148  -0.320  -2.259
  300    HA   PHE  42           HA       PHE  42  60.490  -0.374  -3.796
  301   1HB   PHE  42          2HB       PHE  42  58.473   1.311  -3.693
  302   2HB   PHE  42          1HB       PHE  42  59.536   2.178  -2.591
  303    HD1  PHE  42           HD2      PHE  42  59.454   0.630  -5.980
  304    HD2  PHE  42           HD1      PHE  42  61.174   3.598  -3.438
  305    HE1  PHE  42           HE2      PHE  42  60.661   1.581  -7.906
  306    HE2  PHE  42           HE1      PHE  42  62.381   4.549  -5.365
  307    HZ   PHE  42           HZ       PHE  42  62.125   3.540  -7.600
  308    H    LYS  43           H        LYS  43  59.904   0.842  -0.529
  309    HA   LYS  43           HA       LYS  43  62.398   1.929   0.024
  310   1HB   LYS  43          2HB       LYS  43  60.333   0.645   1.778
  311   2HB   LYS  43          1HB       LYS  43  61.761   1.468   2.413
  312   1HG   LYS  43          2HG       LYS  43  60.456   3.038   0.355
  313   2HG   LYS  43          1HG       LYS  43  59.334   2.633   1.637
  314   1HD   LYS  43          2HD       LYS  43  60.763   3.629   3.317
  315   2HD   LYS  43          1HD       LYS  43  62.049   3.870   2.140
  316   1HE   LYS  43          2HE       LYS  43  59.699   5.522   2.729
  317   2HE   LYS  43          1HE       LYS  43  61.237   5.963   1.990
  318   1HZ   LYS  43          3HZ       LYS  43  60.433   5.007  -0.101
  319   2HZ   LYS  43          2HZ       LYS  43  58.936   4.665   0.626
  320   3HZ   LYS  43          1HZ       LYS  43  59.445   6.275   0.438
  321    H    LYS  44           H        LYS  44  61.284  -1.417   0.325
  322    HA   LYS  44           HA       LYS  44  63.321  -2.535   1.788
  323   1HB   LYS  44          2HB       LYS  44  61.811  -4.154   1.400
  324   2HB   LYS  44          1HB       LYS  44  61.321  -3.469  -0.128
  325   1HG   LYS  44          2HG       LYS  44  62.202  -5.781  -0.292
  326   2HG   LYS  44          1HG       LYS  44  63.066  -4.627  -1.299
  327   1HD   LYS  44          2HD       LYS  44  65.012  -4.816  -0.061
  328   2HD   LYS  44          1HD       LYS  44  64.144  -5.112   1.437
  329   1HE   LYS  44          2HE       LYS  44  64.958  -7.064  -0.702
  330   2HE   LYS  44          1HE       LYS  44  65.141  -7.191   1.044
  331   1HZ   LYS  44          2HZ       LYS  44  62.568  -7.237   1.005
  332   2HZ   LYS  44          1HZ       LYS  44  62.770  -7.705  -0.616
  333   3HZ   LYS  44          3HZ       LYS  44  63.443  -8.643   0.626
  334    H    PHE  45           H        PHE  45  63.265  -2.780  -1.763
  335    HA   PHE  45           HA       PHE  45  65.957  -3.475  -2.029
  336   1HB   PHE  45          2HB       PHE  45  63.966  -2.262  -3.918
  337   2HB   PHE  45          1HB       PHE  45  65.587  -2.663  -4.411
  338    HD1  PHE  45           HD2      PHE  45  66.370  -5.107  -4.222
  339    HD2  PHE  45           HD1      PHE  45  62.266  -3.931  -3.794
  340    HE1  PHE  45           HE2      PHE  45  65.652  -7.418  -4.631
  341    HE2  PHE  45           HE1      PHE  45  61.572  -6.250  -4.206
  342    HZ   PHE  45           HZ       PHE  45  63.259  -7.994  -4.625
  343    H    THR  46           H        THR  46  64.398  -0.324  -1.915
  344    HA   THR  46           HA       THR  46  66.814   1.065  -2.691
  345    HB   THR  46           HB       THR  46  65.448   3.071  -2.347
  346    HG1  THR  46           HG1      THR  46  63.820   2.914  -1.051
  347   1HG2  THR  46          2HG2      THR  46  65.366   1.598  -4.452
  348   2HG2  THR  46          1HG2      THR  46  63.783   1.083  -3.863
  349   3HG2  THR  46          3HG2      THR  46  64.079   2.785  -4.228
  350    H    SER  47           H        SER  47  66.019  -0.445   0.096
  351    HA   SER  47           HA       SER  47  67.460   1.555   1.728
  352   1HB   SER  47          2HB       SER  47  66.116   1.009   3.625
  353   2HB   SER  47          1HB       SER  47  65.027   1.375   2.292
  354    HG   SER  47           HG       SER  47  64.654  -0.815   2.031
  355    H    LYS  48           H        LYS  48  68.209  -1.009   0.197
  356    HA   LYS  48           HA       LYS  48  68.827  -3.078   1.926
  357   1HB   LYS  48          2HB       LYS  48  70.122  -2.061  -0.585
  358   2HB   LYS  48          1HB       LYS  48  70.818  -3.417   0.295
  359   1HG   LYS  48          2HG       LYS  48  67.907  -3.544  -0.312
  360   2HG   LYS  48          1HG       LYS  48  69.019  -3.723  -1.664
  361   1HD   LYS  48          2HD       LYS  48  69.243  -5.344   0.875
  362   2HD   LYS  48          1HD       LYS  48  68.327  -5.877  -0.530
  363   1HE   LYS  48          2HE       LYS  48  70.339  -5.808  -1.904
  364   2HE   LYS  48          1HE       LYS  48  71.269  -5.174  -0.548
  365   1HZ   LYS  48          1HZ       LYS  48  70.626  -7.262   0.656
  366   2HZ   LYS  48          3HZ       LYS  48  70.052  -7.858  -0.823
  367   3HZ   LYS  48          2HZ       LYS  48  71.695  -7.467  -0.649
  368    H    ALA  49           H        ALA  49  70.822  -0.273   1.043
  369    HA   ALA  49           HA       ALA  49  73.113  -0.717   2.410
  370   1HB   ALA  49          3HB       ALA  49  71.547   1.789   1.929
  371   2HB   ALA  49          2HB       ALA  49  73.047   1.841   2.860
  372   3HB   ALA  49          1HB       ALA  49  73.063   1.263   1.192
  373    H    SER  50           H        SER  50  70.601   1.337   3.857
  374    HA   SER  50           HA       SER  50  69.931   1.648   6.025
  375   1HB   SER  50          2HB       SER  50  70.702  -1.258   6.067
  376   2HB   SER  50          1HB       SER  50  70.084  -0.443   7.499
  377    HG   SER  50           HG       SER  50  68.670  -1.497   5.567
   
  No H/Q in entry =         377
  Start of MODEL   25
    1   1H    ALA   1          1H        ALA   1  28.842 -29.450  14.897
    2   2H    ALA   1          3H        ALA   1  30.127 -29.143  15.960
    3   3H    ALA   1          2H        ALA   1  29.103 -30.470  16.231
    4    HA   ALA   1           HA       ALA   1  28.183 -29.065  17.710
    5   1HB   ALA   1          3HB       ALA   1  29.021 -26.827  15.843
    6   2HB   ALA   1          2HB       ALA   1  28.096 -26.572  17.323
    7   3HB   ALA   1          1HB       ALA   1  29.737 -27.225  17.407
    8    H    GLU   2           H        GLU   2  26.673 -30.557  16.306
    9    HA   GLU   2           HA       GLU   2  24.606 -30.872  15.365
   10   1HB   GLU   2          2HB       GLU   2  24.309 -28.154  16.619
   11   2HB   GLU   2          1HB       GLU   2  22.977 -28.937  15.774
   12   1HG   GLU   2          2HG       GLU   2  23.164 -30.874  17.284
   13   2HG   GLU   2          1HG       GLU   2  24.487 -30.076  18.136
   14    H    GLY   3           H        GLY   3  22.938 -29.723  13.820
   15   1HA   GLY   3          2HA       GLY   3  22.497 -28.811  11.760
   16   2HA   GLY   3          1HA       GLY   3  23.866 -27.732  12.027
   17    H    ASP   4           H        ASP   4  22.834 -29.565   9.745
   18    HA   ASP   4           HA       ASP   4  24.974 -31.430   9.292
   19   1HB   ASP   4          2HB       ASP   4  22.415 -31.094   8.298
   20   2HB   ASP   4          1HB       ASP   4  23.447 -30.653   6.937
   21    H    ASP   5           H        ASP   5  24.134 -28.206   8.173
   22    HA   ASP   5           HA       ASP   5  26.758 -27.380   7.707
   23   1HB   ASP   5          2HB       ASP   5  26.757 -29.010   5.884
   24   2HB   ASP   5          1HB       ASP   5  25.307 -28.269   5.208
   25    HA   PRO   6           HA       PRO   6  23.595 -24.065   7.587
   26   1HB   PRO   6          2HB       PRO   6  24.652 -22.562   9.574
   27   2HB   PRO   6          1HB       PRO   6  23.539 -23.908   9.857
   28   1HG   PRO   6          2HG       PRO   6  26.441 -23.745  10.323
   29   2HG   PRO   6          1HG       PRO   6  25.227 -24.776  11.095
   30   1HD   PRO   6          2HD       PRO   6  27.050 -25.526   9.066
   31   2HD   PRO   6          1HD       PRO   6  25.704 -26.486   9.707
   32    H    ALA   7           H        ALA   7  27.109 -23.790   7.871
   33    HA   ALA   7           HA       ALA   7  28.627 -22.297   7.004
   34   1HB   ALA   7          2HB       ALA   7  26.618 -22.510   4.760
   35   2HB   ALA   7          1HB       ALA   7  28.183 -21.709   4.599
   36   3HB   ALA   7          3HB       ALA   7  28.109 -23.434   4.962
   37    H    LYS   8           H        LYS   8  26.725 -21.109   8.733
   38    HA   LYS   8           HA       LYS   8  25.626 -19.173   9.275
   39   1HB   LYS   8          2HB       LYS   8  27.910 -17.790   8.066
   40   2HB   LYS   8          1HB       LYS   8  27.129 -17.556   9.611
   41   1HG   LYS   8          2HG       LYS   8  28.226 -19.415  10.587
   42   2HG   LYS   8          1HG       LYS   8  28.760 -20.022   9.023
   43   1HD   LYS   8          2HD       LYS   8  29.786 -17.650  10.586
   44   2HD   LYS   8          1HD       LYS   8  30.683 -19.046  10.008
   45   1HE   LYS   8          2HE       LYS   8  29.636 -16.709   8.399
   46   2HE   LYS   8          1HE       LYS   8  31.307 -17.228   8.605
   47   1HZ   LYS   8          2HZ       LYS   8  29.263 -18.927   7.291
   48   2HZ   LYS   8          1HZ       LYS   8  30.224 -17.818   6.437
   49   3HZ   LYS   8          3HZ       LYS   8  30.950 -19.107   7.265
   50    H    ALA   9           H        ALA   9  24.045 -19.432   7.562
   51    HA   ALA   9           HA       ALA   9  24.299 -17.914   5.121
   52   1HB   ALA   9          3HB       ALA   9  22.542 -19.938   6.149
   53   2HB   ALA   9          2HB       ALA   9  21.592 -18.571   5.562
   54   3HB   ALA   9          1HB       ALA   9  22.738 -19.378   4.487
   55    H    ALA  10           H        ALA  10  21.704 -17.789   7.544
   56    HA   ALA  10           HA       ALA  10  20.782 -15.247   6.974
   57   1HB   ALA  10          1HB       ALA  10  20.513 -17.151   9.159
   58   2HB   ALA  10          3HB       ALA  10  20.426 -15.478   9.716
   59   3HB   ALA  10          2HB       ALA  10  19.317 -16.052   8.469
   60    H    PHE  11           H        PHE  11  23.106 -16.143   9.526
   61    HA   PHE  11           HA       PHE  11  23.672 -13.629  10.533
   62   1HB   PHE  11          2HB       PHE  11  24.737 -16.175  10.844
   63   2HB   PHE  11          1HB       PHE  11  26.087 -15.223  10.246
   64    HD1  PHE  11           HD1      PHE  11  26.161 -12.761  11.363
   65    HD2  PHE  11           HD2      PHE  11  24.571 -16.288  13.193
   66    HE1  PHE  11           HE1      PHE  11  26.518 -11.775  13.590
   67    HE2  PHE  11           HE2      PHE  11  24.933 -15.293  15.411
   68    HZ   PHE  11           HZ       PHE  11  25.905 -13.039  15.613
   69    H    ASN  12           H        ASN  12  25.361 -15.290   7.869
   70    HA   ASN  12           HA       ASN  12  27.041 -13.107   7.202
   71   1HB   ASN  12          2HB       ASN  12  27.379 -15.517   6.535
   72   2HB   ASN  12          1HB       ASN  12  26.102 -15.291   5.339
   73   1HD2  ASN  12          2HD2      ASN  12  29.729 -14.424   4.232
   74   2HD2  ASN  12          1HD2      ASN  12  29.212 -15.598   5.390
   75    H    SER  13           H        SER  13  23.814 -14.060   6.253
   76    HA   SER  13           HA       SER  13  23.464 -12.377   4.020
   77   1HB   SER  13          2HB       SER  13  21.745 -13.967   5.757
   78   2HB   SER  13          1HB       SER  13  20.976 -12.467   5.256
   79    HG   SER  13           HG       SER  13  21.124 -14.617   3.840
   80    H    LEU  14           H        LEU  14  23.021 -11.824   7.471
   81    HA   LEU  14           HA       LEU  14  21.800  -9.330   7.434
   82   1HB   LEU  14          2HB       LEU  14  22.206 -10.729   9.452
   83   2HB   LEU  14          1HB       LEU  14  23.909 -10.290   9.363
   84    HG   LEU  14           HG       LEU  14  22.986  -7.828   9.373
   85   1HD1  LEU  14          1HD1      LEU  14  20.592  -8.568   9.177
   86   2HD1  LEU  14          3HD1      LEU  14  20.713  -9.211  10.817
   87   3HD1  LEU  14          2HD1      LEU  14  20.906  -7.481  10.530
   88   1HD2  LEU  14          2HD2      LEU  14  23.113  -9.600  11.825
   89   2HD2  LEU  14          1HD2      LEU  14  24.356  -8.505  11.203
   90   3HD2  LEU  14          3HD2      LEU  14  22.880  -7.856  11.918
   91    H    GLN  15           H        GLN  15  25.188 -10.195   7.043
   92    HA   GLN  15           HA       GLN  15  26.276  -7.585   7.189
   93   1HB   GLN  15          2HB       GLN  15  27.577  -9.698   7.368
   94   2HB   GLN  15          1HB       GLN  15  27.329  -9.957   5.645
   95   1HG   GLN  15          2HG       GLN  15  29.434  -8.945   5.722
   96   2HG   GLN  15          1HG       GLN  15  28.361  -7.589   5.376
   97   1HE2  GLN  15          2HD2      GLN  15  30.276  -6.142   8.005
   98   2HE2  GLN  15          1HD2      GLN  15  30.209  -6.368   6.294
   99    H    ALA  16           H        ALA  16  24.696  -9.367   4.660
  100    HA   ALA  16           HA       ALA  16  25.580  -7.788   2.461
  101   1HB   ALA  16          1HB       ALA  16  24.637 -10.076   2.249
  102   2HB   ALA  16          3HB       ALA  16  23.055  -9.428   2.687
  103   3HB   ALA  16          2HB       ALA  16  23.844  -8.899   1.199
  104    H    SER  17           H        SER  17  23.563  -6.998   5.019
  105    HA   SER  17           HA       SER  17  21.876  -5.184   3.464
  106   1HB   SER  17          2HB       SER  17  21.404  -6.682   5.727
  107   2HB   SER  17          1HB       SER  17  21.655  -5.064   6.374
  108    HG   SER  17           HG       SER  17  19.669  -6.024   4.628
  109    H    ALA  18           H        ALA  18  24.700  -5.183   5.462
  110    HA   ALA  18           HA       ALA  18  24.628  -2.259   5.755
  111   1HB   ALA  18          3HB       ALA  18  26.130  -4.470   7.092
  112   2HB   ALA  18          2HB       ALA  18  26.793  -2.835   7.106
  113   3HB   ALA  18          1HB       ALA  18  25.205  -3.151   7.809
  114    H    THR  19           H        THR  19  25.005  -3.287   3.166
  115    HA   THR  19           HA       THR  19  27.873  -2.984   2.614
  116    HB   THR  19           HB       THR  19  27.298  -3.701   0.344
  117    HG1  THR  19           HG1      THR  19  25.203  -2.813   0.247
  118   1HG2  THR  19          3HG2      THR  19  26.429  -5.354   2.686
  119   2HG2  THR  19          2HG2      THR  19  26.165  -5.966   1.053
  120   3HG2  THR  19          1HG2      THR  19  27.800  -5.585   1.597
  121    H    GLU  20           H        GLU  20  25.984  -0.777   3.424
  122    HA   GLU  20           HA       GLU  20  26.062   0.909   1.036
  123   1HB   GLU  20          2HB       GLU  20  24.060   0.564   2.759
  124   2HB   GLU  20          1HB       GLU  20  24.904   1.854   3.604
  125   1HG   GLU  20          2HG       GLU  20  24.854   3.137   1.398
  126   2HG   GLU  20          1HG       GLU  20  23.696   1.928   0.839
  127    H    TYR  21           H        TYR  21  27.715   0.348   3.931
  128    HA   TYR  21           HA       TYR  21  28.964   3.008   3.931
  129   1HB   TYR  21          2HB       TYR  21  28.633   0.848   5.949
  130   2HB   TYR  21          1HB       TYR  21  30.049   1.880   6.069
  131    HD1  TYR  21           HD2      TYR  21  29.769   4.336   6.390
  132    HD2  TYR  21           HD1      TYR  21  26.450   1.645   6.510
  133    HE1  TYR  21           HE2      TYR  21  28.404   6.060   7.498
  134    HE2  TYR  21           HE1      TYR  21  25.094   3.377   7.618
  135    HH   TYR  21           HH       TYR  21  26.011   5.710   9.194
  136    H    ILE  22           H        ILE  22  29.551  -0.282   3.075
  137    HA   ILE  22           HA       ILE  22  32.429  -0.068   3.193
  138    HB   ILE  22           HB       ILE  22  30.533  -2.164   2.123
  139   1HG1  ILE  22          2HG1      ILE  22  30.945  -1.832   4.645
  140   2HG1  ILE  22          1HG1      ILE  22  31.110  -3.476   4.005
  141   1HG2  ILE  22          3HG2      ILE  22  33.528  -2.044   1.859
  142   2HG2  ILE  22          2HG2      ILE  22  32.700  -3.595   1.937
  143   3HG2  ILE  22          1HG2      ILE  22  32.331  -2.464   0.632
  144   1HD1  ILE  22          1HD1      ILE  22  33.684  -2.378   3.787
  145   2HD1  ILE  22          3HD1      ILE  22  33.080  -1.825   5.350
  146   3HD1  ILE  22          2HD1      ILE  22  33.119  -3.547   4.976
  147    H    GLY  23           H        GLY  23  30.000  -0.191   0.592
  148   1HA   GLY  23          2HA       GLY  23  31.430  -0.201  -1.660
  149   2HA   GLY  23          1HA       GLY  23  30.032   0.850  -1.472
  150    H    TYR  24           H        TYR  24  31.461   2.465   0.619
  151    HA   TYR  24           HA       TYR  24  33.117   4.030  -1.253
  152   1HB   TYR  24          2HB       TYR  24  31.992   5.095   1.309
  153   2HB   TYR  24          1HB       TYR  24  32.448   5.965  -0.149
  154    HD1  TYR  24           HD2      TYR  24  31.140   5.030  -2.325
  155    HD2  TYR  24           HD1      TYR  24  29.671   4.943   1.695
  156    HE1  TYR  24           HE2      TYR  24  28.824   4.913  -3.160
  157    HE2  TYR  24           HE1      TYR  24  27.372   4.819   0.846
  158    HH   TYR  24           HH       TYR  24  26.662   4.342  -2.523
  159    H    ALA  25           H        ALA  25  33.059   2.646   1.987
  160    HA   ALA  25           HA       ALA  25  35.637   3.742   2.698
  161   1HB   ALA  25          2HB       ALA  25  33.497   2.768   4.124
  162   2HB   ALA  25          1HB       ALA  25  34.687   1.474   4.276
  163   3HB   ALA  25          3HB       ALA  25  35.097   3.112   4.785
  164    H    TRP  26           H        TRP  26  34.578   1.085   0.858
  165    HA   TRP  26           HA       TRP  26  36.906  -0.570   1.424
  166   1HB   TRP  26          2HB       TRP  26  35.281  -2.055   1.126
  167   2HB   TRP  26          1HB       TRP  26  34.276  -0.930   0.258
  168    HD1  TRP  26          1HD       TRP  26  34.001  -1.308  -2.229
  169    HE1  TRP  26          1HE       TRP  26  35.072  -2.841  -3.871
  170    HE3  TRP  26          3HE       TRP  26  37.871  -3.085   0.559
  171    HZ2  TRP  26          2HZ       TRP  26  37.277  -4.575  -4.124
  172    HZ3  TRP  26          3HZ       TRP  26  39.458  -4.680  -0.448
  173    HH2  TRP  26           HH2      TRP  26  39.168  -5.416  -2.779
  174    H    ALA  27           H        ALA  27  35.417   0.660  -1.558
  175    HA   ALA  27           HA       ALA  27  37.510   0.202  -3.259
  176   1HB   ALA  27          3HB       ALA  27  35.375   2.316  -3.199
  177   2HB   ALA  27          2HB       ALA  27  36.616   2.347  -4.456
  178   3HB   ALA  27          1HB       ALA  27  35.558   0.944  -4.295
  179    H    MET  28           H        MET  28  36.966   3.137  -1.323
  180    HA   MET  28           HA       MET  28  39.207   4.579  -2.157
  181   1HB   MET  28          2HB       MET  28  37.237   4.762  -0.041
  182   2HB   MET  28          1HB       MET  28  38.827   5.168   0.577
  183   1HG   MET  28          2HG       MET  28  37.420   7.091  -0.341
  184   2HG   MET  28          1HG       MET  28  39.072   6.984  -0.921
  185   1HE   MET  28          2HE       MET  28  37.833   8.829  -2.416
  186   2HE   MET  28          1HE       MET  28  39.050   8.092  -3.459
  187   3HE   MET  28          3HE       MET  28  37.414   8.382  -4.070
  188    H    VAL  29           H        VAL  29  38.829   2.242   0.472
  189    HA   VAL  29           HA       VAL  29  41.347   2.463   1.636
  190    HB   VAL  29           HB       VAL  29  39.103   0.677   1.736
  191   1HG1  VAL  29          1HG1      VAL  29  41.783  -0.707   1.903
  192   2HG1  VAL  29          3HG1      VAL  29  40.258  -1.382   2.482
  193   3HG1  VAL  29          2HG1      VAL  29  40.482  -1.057   0.762
  194   1HG2  VAL  29          3HG2      VAL  29  40.137   2.185   3.500
  195   2HG2  VAL  29          2HG2      VAL  29  39.621   0.582   4.026
  196   3HG2  VAL  29          1HG2      VAL  29  41.331   0.909   3.737
  197    H    VAL  30           H        VAL  30  40.309   0.285  -0.987
  198    HA   VAL  30           HA       VAL  30  42.646  -1.067  -1.472
  199    HB   VAL  30           HB       VAL  30  40.663  -0.022  -3.486
  200   1HG1  VAL  30          2HG1      VAL  30  42.801  -2.117  -3.609
  201   2HG1  VAL  30          1HG1      VAL  30  41.404  -2.153  -4.688
  202   3HG1  VAL  30          3HG1      VAL  30  42.504  -0.774  -4.714
  203   1HG2  VAL  30          1HG2      VAL  30  40.625  -2.277  -1.551
  204   2HG2  VAL  30          3HG2      VAL  30  39.302  -1.270  -2.143
  205   3HG2  VAL  30          2HG2      VAL  30  39.948  -2.564  -3.155
  206    H    VAL  31           H        VAL  31  41.803   2.230  -2.324
  207    HA   VAL  31           HA       VAL  31  44.090   2.611  -4.030
  208    HB   VAL  31           HB       VAL  31  42.068   4.521  -2.877
  209   1HG1  VAL  31          3HG1      VAL  31  44.192   4.967  -4.967
  210   2HG1  VAL  31          2HG1      VAL  31  42.885   6.095  -4.597
  211   3HG1  VAL  31          1HG1      VAL  31  44.100   5.716  -3.374
  212   1HG2  VAL  31          1HG2      VAL  31  41.309   2.733  -4.524
  213   2HG2  VAL  31          3HG2      VAL  31  40.956   4.405  -4.963
  214   3HG2  VAL  31          2HG2      VAL  31  42.307   3.560  -5.723
  215    H    ILE  32           H        ILE  32  43.457   2.759  -0.682
  216    HA   ILE  32           HA       ILE  32  45.762   4.506  -0.172
  217    HB   ILE  32           HB       ILE  32  43.678   3.413   1.711
  218   1HG1  ILE  32          2HG1      ILE  32  44.010   6.147   0.470
  219   2HG1  ILE  32          1HG1      ILE  32  42.720   4.995   0.138
  220   1HG2  ILE  32          1HG2      ILE  32  45.947   3.928   2.692
  221   2HG2  ILE  32          3HG2      ILE  32  45.673   5.610   2.231
  222   3HG2  ILE  32          2HG2      ILE  32  44.595   4.825   3.387
  223   1HD1  ILE  32          3HD1      ILE  32  42.303   5.132   2.717
  224   2HD1  ILE  32          2HD1      ILE  32  43.196   6.649   2.593
  225   3HD1  ILE  32          1HD1      ILE  32  41.709   6.423   1.670
  226    H    VAL  33           H        VAL  33  44.491   1.296   0.700
  227    HA   VAL  33           HA       VAL  33  46.795   0.542   2.175
  228    HB   VAL  33           HB       VAL  33  44.355  -0.846   1.131
  229   1HG1  VAL  33          3HG1      VAL  33  46.164  -2.476   0.940
  230   2HG1  VAL  33          2HG1      VAL  33  46.606  -2.187   2.623
  231   3HG1  VAL  33          1HG1      VAL  33  45.042  -2.905   2.230
  232   1HG2  VAL  33          1HG2      VAL  33  45.048   0.541   3.490
  233   2HG2  VAL  33          3HG2      VAL  33  43.541  -0.299   3.120
  234   3HG2  VAL  33          2HG2      VAL  33  44.858  -1.161   3.921
  235    H    GLY  34           H        GLY  34  45.522  -0.918  -0.843
  236   1HA   GLY  34          2HA       GLY  34  47.827  -2.309  -1.543
  237   2HA   GLY  34          1HA       GLY  34  46.599  -1.768  -2.688
  238    H    ALA  35           H        ALA  35  47.076   1.072  -1.898
  239    HA   ALA  35           HA       ALA  35  49.082   1.659  -3.854
  240   1HB   ALA  35          2HB       ALA  35  47.648   3.461  -1.898
  241   2HB   ALA  35          1HB       ALA  35  48.656   4.012  -3.238
  242   3HB   ALA  35          3HB       ALA  35  47.163   3.127  -3.561
  243    H    THR  36           H        THR  36  49.099   1.187  -0.431
  244    HA   THR  36           HA       THR  36  51.582   2.623  -0.017
  245    HB   THR  36           HB       THR  36  49.520   2.078   1.625
  246    HG1  THR  36           HG1      THR  36  50.796   3.464   2.535
  247   1HG2  THR  36          2HG2      THR  36  51.576  -0.050   2.256
  248   2HG2  THR  36          1HG2      THR  36  50.326   0.487   3.378
  249   3HG2  THR  36          3HG2      THR  36  49.877  -0.295   1.862
  250    H    ILE  37           H        ILE  37  50.537  -0.762   0.098
  251    HA   ILE  37           HA       ILE  37  52.951  -2.000   0.601
  252    HB   ILE  37           HB       ILE  37  50.684  -2.920  -1.170
  253   1HG1  ILE  37          2HG1      ILE  37  51.233  -3.080   1.778
  254   2HG1  ILE  37          1HG1      ILE  37  49.769  -2.576   0.952
  255   1HG2  ILE  37          2HG2      ILE  37  53.193  -4.078  -0.976
  256   2HG2  ILE  37          1HG2      ILE  37  52.221  -4.997   0.170
  257   3HG2  ILE  37          3HG2      ILE  37  51.715  -4.875  -1.514
  258   1HD1  ILE  37          2HD1      ILE  37  49.959  -5.158   0.112
  259   2HD1  ILE  37          1HD1      ILE  37  50.627  -5.271   1.742
  260   3HD1  ILE  37          3HD1      ILE  37  49.003  -4.623   1.495
  261    H    GLY  38           H        GLY  38  51.720  -0.674  -2.405
  262   1HA   GLY  38          2HA       GLY  38  53.594  -1.812  -4.185
  263   2HA   GLY  38          1HA       GLY  38  52.688  -0.322  -4.457
  264    H    ILE  39           H        ILE  39  53.541   1.399  -2.666
  265    HA   ILE  39           HA       ILE  39  56.172   2.048  -3.593
  266    HB   ILE  39           HB       ILE  39  54.518   3.391  -1.465
  267   1HG1  ILE  39          2HG1      ILE  39  54.589   4.582  -4.141
  268   2HG1  ILE  39          1HG1      ILE  39  53.802   3.013  -4.091
  269   1HG2  ILE  39          2HG2      ILE  39  57.141   3.832  -2.344
  270   2HG2  ILE  39          1HG2      ILE  39  56.165   5.105  -3.075
  271   3HG2  ILE  39          3HG2      ILE  39  56.154   4.884  -1.326
  272   1HD1  ILE  39          2HD1      ILE  39  52.705   4.180  -1.902
  273   2HD1  ILE  39          1HD1      ILE  39  52.952   5.590  -2.933
  274   3HD1  ILE  39          3HD1      ILE  39  51.982   4.234  -3.510
  275    H    LYS  40           H        LYS  40  54.809   0.811  -0.577
  276    HA   LYS  40           HA       LYS  40  57.118   1.151   1.023
  277   1HB   LYS  40          2HB       LYS  40  54.531  -0.015   1.330
  278   2HB   LYS  40          1HB       LYS  40  55.736  -1.184   1.828
  279   1HG   LYS  40          2HG       LYS  40  55.507  -0.110   3.807
  280   2HG   LYS  40          1HG       LYS  40  56.771   0.893   3.109
  281   1HD   LYS  40          2HD       LYS  40  53.796   1.467   3.111
  282   2HD   LYS  40          1HD       LYS  40  55.001   2.269   4.101
  283   1HE   LYS  40          2HE       LYS  40  55.881   3.458   2.282
  284   2HE   LYS  40          1HE       LYS  40  55.186   2.351   1.092
  285   1HZ   LYS  40          3HZ       LYS  40  52.966   3.173   2.062
  286   2HZ   LYS  40          2HZ       LYS  40  53.882   4.488   2.626
  287   3HZ   LYS  40          1HZ       LYS  40  53.807   4.152   0.962
  288    H    LEU  41           H        LEU  41  55.982  -1.506  -0.993
  289    HA   LEU  41           HA       LEU  41  57.879  -3.440  -0.412
  290   1HB   LEU  41          2HB       LEU  41  56.235  -2.757  -2.796
  291   2HB   LEU  41          1HB       LEU  41  57.535  -3.921  -3.008
  292    HG   LEU  41           HG       LEU  41  55.281  -4.095  -1.002
  293   1HD1  LEU  41          3HD1      LEU  41  54.649  -4.529  -3.360
  294   2HD1  LEU  41          2HD1      LEU  41  55.843  -5.827  -3.408
  295   3HD1  LEU  41          1HD1      LEU  41  54.461  -5.939  -2.317
  296   1HD2  LEU  41          2HD2      LEU  41  57.844  -5.509  -1.172
  297   2HD2  LEU  41          1HD2      LEU  41  56.699  -5.391   0.166
  298   3HD2  LEU  41          3HD2      LEU  41  56.446  -6.582  -1.111
  299    H    PHE  42           H        PHE  42  58.228  -0.453  -2.120
  300    HA   PHE  42           HA       PHE  42  60.736  -1.167  -3.380
  301   1HB   PHE  42          2HB       PHE  42  59.079   0.429  -4.368
  302   2HB   PHE  42          1HB       PHE  42  59.473   1.558  -3.080
  303    HD1  PHE  42           HD1      PHE  42  61.645   2.670  -3.021
  304    HD2  PHE  42           HD2      PHE  42  60.620  -0.034  -6.163
  305    HE1  PHE  42           HE1      PHE  42  63.539   3.506  -4.361
  306    HE2  PHE  42           HE2      PHE  42  62.511   0.803  -7.502
  307    HZ   PHE  42           HZ       PHE  42  63.971   2.573  -6.601
  308    H    LYS  43           H        LYS  43  59.729   1.127  -0.829
  309    HA   LYS  43           HA       LYS  43  62.258   2.011  -0.090
  310   1HB   LYS  43          2HB       LYS  43  59.812   1.621   1.621
  311   2HB   LYS  43          1HB       LYS  43  61.233   2.537   2.117
  312   1HG   LYS  43          2HG       LYS  43  59.785   3.186  -0.445
  313   2HG   LYS  43          1HG       LYS  43  59.202   3.803   1.086
  314   1HD   LYS  43          2HD       LYS  43  60.650   5.494   0.993
  315   2HD   LYS  43          1HD       LYS  43  61.996   4.367   0.980
  316   1HE   LYS  43          2HE       LYS  43  61.698   6.077  -0.974
  317   2HE   LYS  43          1HE       LYS  43  62.193   4.427  -1.334
  318   1HZ   LYS  43          1HZ       LYS  43  59.330   5.020  -1.286
  319   2HZ   LYS  43          3HZ       LYS  43  60.232   5.601  -2.600
  320   3HZ   LYS  43          2HZ       LYS  43  60.199   3.937  -2.264
  321    H    LYS  44           H        LYS  44  60.660  -0.986   0.560
  322    HA   LYS  44           HA       LYS  44  62.037  -1.849   2.833
  323   1HB   LYS  44          2HB       LYS  44  60.201  -3.144   2.299
  324   2HB   LYS  44          1HB       LYS  44  60.587  -3.197   0.594
  325   1HG   LYS  44          2HG       LYS  44  60.856  -5.385   1.801
  326   2HG   LYS  44          1HG       LYS  44  62.285  -4.826   0.924
  327   1HD   LYS  44          2HD       LYS  44  62.525  -5.754   3.462
  328   2HD   LYS  44          1HD       LYS  44  63.515  -4.427   2.855
  329   1HE   LYS  44          2HE       LYS  44  62.640  -2.971   4.316
  330   2HE   LYS  44          1HE       LYS  44  60.990  -3.484   3.993
  331   1HZ   LYS  44          1HZ       LYS  44  61.707  -5.550   5.356
  332   2HZ   LYS  44          3HZ       LYS  44  62.905  -4.512   5.963
  333   3HZ   LYS  44          2HZ       LYS  44  61.263  -4.117   6.154
  334    H    PHE  45           H        PHE  45  62.685  -3.230  -0.394
  335    HA   PHE  45           HA       PHE  45  65.236  -4.164   0.259
  336   1HB   PHE  45          2HB       PHE  45  63.860  -3.566  -2.347
  337   2HB   PHE  45          1HB       PHE  45  65.485  -4.195  -2.291
  338    HD1  PHE  45           HD2      PHE  45  65.889  -6.456  -1.116
  339    HD2  PHE  45           HD1      PHE  45  61.980  -5.013  -2.146
  340    HE1  PHE  45           HE2      PHE  45  64.983  -8.728  -0.914
  341    HE2  PHE  45           HE1      PHE  45  61.098  -7.296  -1.939
  342    HZ   PHE  45           HZ       PHE  45  62.593  -9.151  -1.325
  343    H    THR  46           H        THR  46  64.171  -1.086  -1.069
  344    HA   THR  46           HA       THR  46  66.816  -0.207  -1.745
  345    HB   THR  46           HB       THR  46  65.735   1.905  -2.228
  346    HG1  THR  46           HG1      THR  46  63.410   1.994  -1.849
  347   1HG2  THR  46          1HG2      THR  46  65.137  -0.553  -3.437
  348   2HG2  THR  46          3HG2      THR  46  63.607   0.323  -3.350
  349   3HG2  THR  46          2HG2      THR  46  64.997   1.054  -4.154
  350    H    SER  47           H        SER  47  64.487   1.276   0.483
  351    HA   SER  47           HA       SER  47  66.685   2.243   2.144
  352   1HB   SER  47          2HB       SER  47  63.732   2.654   2.589
  353   2HB   SER  47          1HB       SER  47  65.064   3.607   3.232
  354    HG   SER  47           HG       SER  47  65.457   4.392   1.170
  355    H    LYS  48           H        LYS  48  66.869  -0.339   2.347
  356    HA   LYS  48           HA       LYS  48  65.274  -1.860   3.953
  357   1HB   LYS  48          2HB       LYS  48  68.280  -1.863   4.036
  358   2HB   LYS  48          1HB       LYS  48  67.206  -3.205   4.399
  359   1HG   LYS  48          2HG       LYS  48  67.300  -3.820   2.253
  360   2HG   LYS  48          1HG       LYS  48  66.555  -2.288   1.796
  361   1HD   LYS  48          2HD       LYS  48  68.727  -2.681   0.662
  362   2HD   LYS  48          1HD       LYS  48  68.718  -1.224   1.652
  363   1HE   LYS  48          2HE       LYS  48  70.102  -2.156   3.267
  364   2HE   LYS  48          1HE       LYS  48  69.666  -3.807   2.832
  365   1HZ   LYS  48          1HZ       LYS  48  71.103  -2.111   0.906
  366   2HZ   LYS  48          3HZ       LYS  48  71.957  -2.872   2.158
  367   3HZ   LYS  48          2HZ       LYS  48  71.081  -3.804   1.040
  368    H    ALA  49           H        ALA  49  67.962   0.206   5.027
  369    HA   ALA  49           HA       ALA  49  68.583   0.908   7.116
  370   1HB   ALA  49          2HB       ALA  49  66.571   2.328   6.408
  371   2HB   ALA  49          1HB       ALA  49  65.642   1.358   7.553
  372   3HB   ALA  49          3HB       ALA  49  66.998   2.333   8.121
  373    H    SER  50           H        SER  50  67.400   0.922   9.573
  374    HA   SER  50           HA       SER  50  67.952  -1.643  10.567
  375   1HB   SER  50          2HB       SER  50  66.867  -0.780  12.666
  376   2HB   SER  50          1HB       SER  50  68.158   0.231  12.025
  377    HG   SER  50           HG       SER  50  65.366   0.621  11.573
   
  No H/Q in entry =         377