*HEADER    NUCLEOCAPSID PROTEIN                    01-APR-98   1MFS      
*TITLE     DYNAMICAL BEHAVIOR OF THE HIV-1 NUCLEOCAPSID PROTEIN;         
*TITLE    2 NMR, 30 STRUCTURES                                           
*COMPND    MOL_ID: 1;                                                    
*COMPND   2 MOLECULE: HIV-1 NUCLEOCAPSID PROTEIN;                        
*COMPND   3 CHAIN: NULL;                                                 
*COMPND   4 FRAGMENT: NUCLEOCAPSID, ZINC BINDING DOMAINS;                
*COMPND   5 ENGINEERED: YES                                              
*SOURCE    MOL_ID: 1;                                                    
*SOURCE   2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS;           
*SOURCE   3 ORGANISM_COMMON: HIV;                                        
*SOURCE   4 STRAIN: NL4-3;                                               
*SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                         
*SOURCE   6 EXPRESSION_SYSTEM_STRAIN: BL21 (DE3) PLYSE;                  
*SOURCE   7 EXPRESSION_SYSTEM_PLASMID: PET-3A;                           
*SOURCE   8 EXPRESSION_SYSTEM_GENE: NC                                   
*KEYWDS    NUCLEOCAPSID PROTEIN, NMR, DYNAMICS, STRUCTURE, ZINC          
*KEYWDS   2 KNUCKLE, HIV-1, ZINC BINDING                                 
*EXPDTA    NMR, 30 STRUCTURES                                            
*AUTHOR    M.F.SUMMERS,B.G.TURNER,R.N.DE GUZMAN,B.M.LEE,N.TJANDRA        
*REVDAT   1   12-OCT-04 1MFS    0   

 28 CYSZ ZN     15 CYS- CB      3.41  1.00E+00
 28 CYSZ ZN     18 CYS- CB      3.41  1.00E+00
 28 CYSZ ZN     28 CYSZ CB      3.41  1.00E+00 
 28 CYSZ ZN     15 CYS- SG      2.35  1.00E+00
 28 CYSZ ZN     18 CYS- SG      2.35  1.00E+00
 28 CYSZ ZN     28 CYSZ SG      2.35  1.00E+00 
 28 CYSZ ZN     23 HIS  NE2     2.05  1.00E+00
 13 VAL  O      22 GLY  HN      2.00  1.00E+00
 13 VAL  O      22 GLY  N       3.00  1.00E+00
 15 CYS- N      20 LYS  O       3.00  1.00E+00
 15 CYS- HN     20 LYS  O       2.00  1.00E+00
 19 GLY  N      15 CYS- O       3.00  1.00E+00
 19 GLY  HN     15 CYS- O       2.00  1.00E+00
 17 ASN  HN     15 CYS- SG      2.55  1.00E+00
 17 ASN  N      15 CYS- SG      3.55  1.00E+00
 20 LYS  HN     18 CYS- SG      2.55  1.00E+00
 20 LYS  N      18 CYS- SG      3.55  1.00E+00
 18 CYS- HN     15 CYS- SG      2.55  1.00E+00
 18 CYS- N      15 CYS- SG      3.55  1.00E+00
 27 ASN  N      24 ILE  O       3.00  1.00E+00 
 27 ASN  HN     24 ILE  O       2.00  1.00E+00
 28 CYS  N      25 ALA  O       3.00  1.00E+00
 28 CYS  HN     25 ALA  O       2.00  1.00E+00
 15 CYS- HA     24 ILE  HA      3.30  1.00E+00
 14 LYS  HA     21 GLU  HA      3.30  1.00E+00          
 16 PHE  HN     17 ASN  HN      3.30  1.00E+00
 17 ASN  HN     18 CYS- HN      2.70  1.00E+00
 18 CYS- HN     19 GLY  HN      2.70  1.00E+00
 19 GLY  HN     20 LYS  HN      2.70  1.00E+00
 27 ASN  HN     28 CYSZ HN      2.70  1.00E+00
 22 GLY  HN     23 HIS  HN      2.70  1.00E+00 
 15 CYS- HN     14 LYS  HA      2.70  1.00E+00
 16 PHE  HN     15 CYS- HA      2.70  1.00E+00
 16 PHE  HN     16 PHE  HA      3.30  1.00E+00
 17 ASN  HN     16 PHE  HA      3.30  1.00E+00
 18 CYS- HN     18 CYS- HA      3.30  1.00E+00
 19 GLY  HN     19 GLY  HA1     2.70  1.00E+00
 21 GLU  HN     20 LYS  HA      2.70  1.00E+00
 21 GLU  HN     21 GLU  HA      3.30  1.00E+00
 25 ALA  HN     15 CYS- HA      5.00  1.00E+00
 28 CYSZ HN     27 ASN  HA      3.30  1.00E+00
 28 CYSZ HN     28 CYSZ HA      3.30  1.00E+00
 22 GLY  HN     21 GLU  HA      2.70  1.00E+00 
 51 GLU  HN     49 CYSZ HA      3.30  1.00E+00
 15 CYS- HN     15 CYS- HB3     2.70  1.00E+00
 15 CYS- HN     15 CYS- HB2     2.70  1.00E+00
 16 PHE  HN     16 PHE  HB2     2.70  1.00E+00
 17 ASN  HN     17 ASN  HB3     2.70  1.00E+00
 17 ASN  HN     17 ASN  HB2     2.70  1.00E+00
 18 CYS- HN     15 CYS- HB3     3.30  1.00E+00
 18 CYS- HN     17 ASN  HB3     2.70  1.00E+00
 18 CYS- HN     18 CYS- HB3     3.30  1.00E+00
 19 GLY  HN     15 CYS- HB3     3.30  1.00E+00
 20 LYS  HN     15 CYS- HB3     2.70  1.00E+00  
 20 LYS  HN     20 LYS  HB2     2.70  1.00E+00
 21 GLU  HN     21 GLU  HB3     2.70  1.00E+00
 24 ILE  HN     23 HIS  HB2     2.70  1.00E+00
 25 ALA  HN     24 ILE  HB      2.70  1.00E+00
 28 CYSZ HN     28 CYSZ HB2     2.70  1.00E+00
 28 CYSZ HN     28 CYSZ HB3     2.70  1.00E+00
 24 ILE  HN     24 ILE  HG12    2.70  1.00E+00 
 13 VAL  HA     13 VAL  HB      2.70  1.00E+00
 14 LYS  HA     14 LYS  HB2     2.70  1.00E+00
 14 LYS  HA     14 LYS  HB3     2.70  1.00E+00
 15 CYS- HA     15 CYS- HB2     2.70  1.00E+00
 17 ASN  HA     17 ASN  HB2     2.70  1.00E+00
 18 CYS- HA     18 CYS- HB2     2.70  1.00E+00
 18 CYS- HA     18 CYS- HB3     2.70  1.00E+00
 21 GLU  HA     21 GLU  HB2     2.70  1.00E+00
 21 GLU  HA     21 GLU  HB3     2.70  1.00E+00
 24 ILE  HA     24 ILE  HB      2.70  1.00E+00
 25 ALA  HA     28 CYSZ HB2     2.70  1.00E+00
 27 ASN  HA     27 ASN  HB3     3.30  1.00E+00
 28 CYSZ HA     28 CYSZ HB2     2.70  1.00E+00
 23 HIS  HD2    28 CYSZ HA      3.30  1.00E+00
 23 HIS  HD2    15 CYS- HB2     3.30  1.00E+00
 23 HIS  HD2    23 HIS  HB2     3.30  1.00E+00 
 23 HIS  HD2    28 CYSZ HB2     3.30  1.00E+00
 23 HIS  HE1    20 LYS  HB2     3.30  1.00E+00
 23 HIS  HE1    20 LYS  HB3     3.30  1.00E+00
 25 ALA  QB     16 PHE  HN      5.50  1.00E+00
 25 ALA  QB     17 ASN  HN      3.80  1.00E+00
 25 ALA  QB     17 ASN  HB2     3.80  1.00E+00
 25 ALA  QB     25 ALA  HN      3.20  1.00E+00
 25 ALA  QB     26 LYS  HA      5.50  1.00E+00
 25 ALA  QB     16 PHE  HB2     3.80  1.00E+00
 30 ALA  QB     18 CYS- HB3     5.50  1.00E+00
 17 ASN  HD21   17 ASN  HB3     2.70  1.00E+00 
 23 HIS  HN     15 CYS- HB2     5.00  1.00E+00 
 27 ASN  HN     26 LYS  HB3     3.30  1.00E+00
 27 ASN  HN     27 ASN  HB2     3.30  1.00E+00
 27 ASN  HN     24 ILE  HG13    5.00  1.00E+00
 22 GLY  HN     21 GLU  HA      2.70  1.00E+00
 22 GLY  HN     23 HIS  HN      3.30  1.00E+00
 49 CYSZ ZN     36 CYS- CB      3.41  1.00E+00
 49 CYSZ ZN     39 CYS- CB      3.41  1.00E+00
 49 CYSZ ZN     49 CYSZ CB      3.41  1.00E+00 
 49 CYSZ ZN     36 CYS- SG      2.35  1.00E+00
 49 CYSZ ZN     39 CYS- SG      2.35  1.00E+00
 49 CYSZ ZN     49 CYSZ SG      2.35  1.00E+00 
 49 CYSZ ZN     44 HIS  NE2     2.05  1.00E+00
 49 CYSZ ZN     44 HIS  ND1     4.18  1.00E+00 
 49 CYSZ ZN     44 HIS  CG      4.18  1.00E+00 
 36 CYS- N      41 LYS  O       3.00  1.00E+00
 36 CYS- HN     41 LYS  O       2.00  1.00E+00
 40 GLY  N      36 CYS- O       3.00  1.00E+00
 40 GLY  HN     36 CYS- O       2.00  1.00E+00
 38 LYS  HN     36 CYS- SG      2.55  1.00E+00 
 38 LYS  N      36 CYS- SG      3.55  1.00E+00
 41 LYS  HN     39 CYS- SG      2.55  1.00E+00 
 41 LYS  N      39 CYS- SG      3.55  1.00E+00
 48 ASP  N      45 GLN  O       3.00  1.00E+00 
 48 ASP  HN     45 GLN  O       2.00  1.00E+00
 49 CYS  N      46 MET  O       3.00  1.00E+00
 49 CYS  HN     46 MET  O       2.00  1.00E+00
 51 GLU  HN     49 CYSZ SG      2.55  1.00E+00
 51 GLU  N      49 CYSZ SG      3.55  1.00E+00
 36 CYS- HA     45 GLN  HA      3.30  1.00E+00
 35 GLY  HA1    42 GLU  HA      3.30  1.00E+00
 35 GLY  HA2    42 GLU  HA      3.30  1.00E+00  
 37 TRP  HN     38 LYS  HN      3.30  1.00E+00
 38 LYS  HN     39 CYS- HN      2.70  1.00E+00
 39 CYS- HN     40 GLY  HN      2.70  1.00E+00
 40 GLY  HN     41 LYS  HN      2.70  1.00E+00
 48 ASP  HN     49 CYSZ HN      2.70  1.00E+00
 43 GLY  HN     44 HIS  HN      2.70  1.00E+00 
 36 CYS- HN     35 GLY  QA      2.70  1.00E+00 
 37 TRP  HN     36 CYS- HA      2.70  1.00E+00
 37 TRP  HN     37 TRP  HA      3.30  1.00E+00
 38 LYS  HN     37 TRP  HA      3.30  1.00E+00
 39 CYS- HN     39 CYS- HA      3.30  1.00E+00
 40 GLY  HN     40 GLY  HA1     2.70  1.00E+00
 42 GLU  HN     41 LYS  HA      2.70  1.00E+00
 46 MET  HN     36 CYS- HA      5.00  1.00E+00 
 49 CYSZ HN     48 ASP  HA      3.30  1.00E+00
 49 CYSZ HN     49 CYSZ HA      3.30  1.00E+00
 43 GLY  HN     42 GLU  HA      2.70  1.00E+00 
 36 CYS- HN     36 CYS- HB3     2.70  1.00E+00
 36 CYS- HN     36 CYS- HB2     2.70  1.00E+00
 37 TRP  HN     37 TRP  HB2     2.70  1.00E+00
 38 LYS  HN     38 LYS  HB3     2.70  1.00E+00
 38 LYS  HN     38 LYS  HB2     2.70  1.00E+00
 39 CYS- HN     36 CYS- HB3     3.30  1.00E+00
 39 CYS- HN     38 LYS  HB3     2.70  1.00E+00
 39 CYS- HN     39 CYS- HB3     3.30  1.00E+00
 40 GLY  HN     36 CYS- HB3     3.30  1.00E+00
 41 LYS  HN     36 CYS- HB3     2.70  1.00E+00  
 41 LYS  HN     41 LYS  HB2     2.70  1.00E+00
 42 GLU  HN     42 GLU  HB3     2.70  1.00E+00
 45 GLN  HN     44 HIS  HB2     2.70  1.00E+00 
 46 MET  HN     45 GLN  QB      2.70  1.00E+00
 49 CYSZ HN     49 CYSZ HB2     2.70  1.00E+00
 49 CYSZ HN     49 CYSZ HB3     2.70  1.00E+00
 36 CYS- HA     36 CYS- HB2     2.70  1.00E+00
 38 LYS  HA     38 LYS  HB2     2.70  1.00E+00
 39 CYS- HA     39 CYS- HB2     2.70  1.00E+00
 39 CYS- HA     39 CYS- HB3     2.70  1.00E+00
 42 GLU  HA     42 GLU  HB2     2.70  1.00E+00
 42 GLU  HA     42 GLU  HB3     2.70  1.00E+00
 46 MET  HA     49 CYSZ HB2     5.50  1.00E+00 
 48 ASP  HA     48 ASP  HB3     3.30  1.00E+00
 49 CYSZ HA     49 CYSZ HB2     2.70  1.00E+00
 30 ALA  HA     31 PRO  HD2     2.70  1.00E+00
 30 ALA  HA     31 PRO  HD3     2.70  1.00E+00
 44 HIS  HD2    49 CYSZ HA      3.30  1.00E+00
 44 HIS  HD2    36 CYS- HB2     3.30  1.00E+00
 44 HIS  HD2    44 HIS  HB2     3.30  1.00E+00 
 44 HIS  HD2    49 CYSZ HB2     3.30  1.00E+00
 44 HIS  HE1    41 LYS  HB2     3.30  1.00E+00
 44 HIS  HE1    41 LYS  HB3     3.30  1.00E+00
 44 HIS  HN     36 CYS- HB2     5.00  1.00E+00 
 48 ASP  HN     47 LYS  HB3     3.30  1.00E+00
 48 ASP  HN     48 ASP  HB2     3.30  1.00E+00
 43 GLY  HN     42 GLU  HA      2.70  1.00E+00
 43 GLY  HN     44 HIS  HN      3.30  1.00E+00 
 46 MET  HN     45 GLN  HN      5.00  1.00E+00
 13 VAL  HB     14 LYS  HN      2.70  1.00E+00
 13 VAL  QG2    22 GLY  HN      5.50  1.00E+00
 13 VAL  QG2    23 HIS  HN      5.50  1.00E+00
 
 
 
 

  Entry H atom name         Submitted Coord H atom name

  Start of MODEL    1
    1    H    MET   1           HN       MET   1   1.884   0.000   0.000
    2    HA   MET   1           HA       MET   1   2.283   1.048   1.048
    3   1HB   MET   1           HB2      MET   1   3.241  -1.520  -1.520
    4   2HB   MET   1           HB3      MET   1   3.572  -1.372  -1.372
    5   1HG   MET   1           HG2      MET   1   5.484  -0.406  -0.406
    6   2HG   MET   1           HG3      MET   1   4.538   0.974   0.974
    7   1HE   MET   1           HE3      MET   1   3.828   2.647   2.647
    8   2HE   MET   1           HE1      MET   1   2.496   2.046   2.046
    9   3HE   MET   1           HE2      MET   1   3.848   2.937   2.937
   10    H    GLN   2           HN       GLN   2   2.596   0.064   0.064
   11    HA   GLN   2           HA       GLN   2   0.071  -0.519  -0.519
   12   1HB   GLN   2           HB2      GLN   2   1.178  -0.799  -0.799
   13   2HB   GLN   2           HB3      GLN   2   1.867   0.571   0.571
   14   1HG   GLN   2           HG2      GLN   2   3.892  -0.532  -0.532
   15   2HG   GLN   2           HG3      GLN   2   3.162  -2.124  -2.124
   16   1HE2  GLN   2           HE2      GLN   2   3.266  -2.542  -2.542
   17   2HE2  GLN   2           HE2      GLN   2   2.430  -2.960  -2.960
   18    H    LYS   3           HN       LYS   3  -0.601  -2.495  -2.495
   19    HA   LYS   3           HA       LYS   3  -0.037  -4.826  -4.826
   20   1HB   LYS   3           HB2      LYS   3  -2.311  -4.398  -4.398
   21   2HB   LYS   3           HB3      LYS   3  -1.870  -4.293  -4.293
   22   1HG   LYS   3           HG2      LYS   3  -2.707  -6.495  -6.495
   23   2HG   LYS   3           HG3      LYS   3  -0.972  -6.730  -6.730
   24   1HD   LYS   3           HD2      LYS   3  -1.508  -7.947  -7.947
   25   2HD   LYS   3           HD3      LYS   3  -1.460  -6.375  -6.375
   26   1HE   LYS   3           HE2      LYS   3  -3.546  -7.278  -7.278
   27   2HE   LYS   3           HE3      LYS   3  -3.981  -6.175  -6.175
   28   1HZ   LYS   3           HZ1      LYS   3  -4.493  -7.912  -7.912
   29   2HZ   LYS   3           HZ2      LYS   3  -3.402  -8.942  -8.942
   30    H    GLY   4           HN       GLY   4   1.974  -5.698  -5.698
   31   1HA   GLY   4           HA1      GLY   4   2.537  -7.137  -7.137
   32   2HA   GLY   4           HA2      GLY   4   3.411  -5.620  -5.620
   33    H    ASN   5           HN       ASN   5   4.466  -5.000  -5.000
   34    HA   ASN   5           HA       ASN   5   6.065  -7.316  -7.316
   35   1HB   ASN   5           HB2      ASN   5   7.572  -5.662  -5.662
   36   2HB   ASN   5           HB3      ASN   5   7.222  -5.179  -5.179
   37   1HD2  ASN   5           HD2      ASN   5   5.855  -2.114  -2.114
   38   2HD2  ASN   5           HD2      ASN   5   6.516  -3.213  -3.213
   39    H    PHE   6           HN       PHE   6   6.035  -8.286  -8.286
   40    HA   PHE   6           HA       PHE   6   4.524  -6.903  -6.903
   41   1HB   PHE   6           HB2      PHE   6   3.351  -9.078  -9.078
   42   2HB   PHE   6           HB3      PHE   6   3.032  -8.546  -8.546
   43    HD1  PHE   6           HD1      PHE   6   4.362  -9.591  -9.591
   44    HD2  PHE   6           HD2      PHE   6   4.370 -11.161 -11.161
   45    HE1  PHE   6           HE1      PHE   6   5.197 -11.790 -11.790
   46    HE2  PHE   6           HE2      PHE   6   5.205 -13.360 -13.360
   47   1HZ   PHE   6           HZ       PHE   6   5.608 -13.648 -13.648
   48    H    ARG   7           HN       ARG   7   6.661  -9.670  -9.670
   49    HA   ARG   7           HA       ARG   7   7.634  -9.679  -9.679
   50   1HB   ARG   7           HB2      ARG   7   7.310 -11.696 -11.696
   51   2HB   ARG   7           HB3      ARG   7   8.944 -11.720 -11.720
   52   1HG   ARG   7           HG2      ARG   7   7.712 -11.615 -11.615
   53   2HG   ARG   7           HG3      ARG   7   6.340 -12.220 -12.220
   54   1HD   ARG   7           HD2      ARG   7   7.208 -14.314 -14.314
   55   2HD   ARG   7           HD3      ARG   7   8.590 -13.781 -13.781
   56    HE   ARG   7           HE       ARG   7   9.865 -13.773 -13.773
   57   1HH1  ARG   7           HH2      ARG   7   6.441 -13.625 -13.625
   58   2HH1  ARG   7           HH2      ARG   7   6.751 -13.770 -13.770
   59    HH2  ARG   7           HH1      ARG   7   9.013 -13.967 -13.967
   60    H    ASN   8           HN       ASN   8   8.789  -7.574  -7.574
   61    HA   ASN   8           HA       ASN   8  10.583  -6.416  -6.416
   62   1HB   ASN   8           HB2      ASN   8  11.759  -9.205  -9.205
   63   2HB   ASN   8           HB3      ASN   8  12.766  -7.793  -7.793
   64   1HD2  ASN   8           HD2      ASN   8  12.623  -6.627  -6.627
   65   2HD2  ASN   8           HD2      ASN   8  12.589  -6.084  -6.084
   66    H    GLN   9           HN       GLN   9  11.566  -9.048  -9.048
   67    HA   GLN   9           HA       GLN   9  10.406  -8.010  -8.010
   68   1HB   GLN   9           HB2      GLN   9  11.914  -6.061  -6.061
   69   2HB   GLN   9           HB3      GLN   9  13.305  -7.125  -7.125
   70   1HG   GLN   9           HG2      GLN   9  13.347  -7.041  -7.041
   71   2HG   GLN   9           HG3      GLN   9  11.691  -7.605  -7.605
   72   1HE2  GLN   9           HE2      GLN   9  12.603  -3.566  -3.566
   73   2HE2  GLN   9           HE2      GLN   9  13.693  -4.745  -4.745
   74    H    ARG  10           HN       ARG  10  13.741  -9.175  -9.175
   75    HA   ARG  10           HA       ARG  10  13.828 -10.983 -10.983
   76   1HB   ARG  10           HB2      ARG  10  15.826 -11.899 -11.899
   77   2HB   ARG  10           HB3      ARG  10  15.854 -10.147 -10.147
   78   1HG   ARG  10           HG2      ARG  10  15.380  -9.982  -9.982
   79   2HG   ARG  10           HG3      ARG  10  14.531 -11.515 -11.515
   80   1HD   ARG  10           HD2      ARG  10  16.582 -11.963 -11.963
   81   2HD   ARG  10           HD3      ARG  10  16.829 -12.631 -12.631
   82    HE   ARG  10           HE       ARG  10  17.785 -10.108 -10.108
   83   1HH1  ARG  10           HH2      ARG  10  18.368 -12.442 -12.442
   84   2HH1  ARG  10           HH2      ARG  10  19.959 -11.849 -11.849
   85    HH2  ARG  10           HH1      ARG  10  20.829 -10.016 -10.016
   86    H    LYS  11           HN       LYS  11  14.363 -13.492 -13.492
   87    HA   LYS  11           HA       LYS  11  13.749 -15.405 -15.405
   88   1HB   LYS  11           HB2      LYS  11  13.283 -13.799 -13.799
   89   2HB   LYS  11           HB3      LYS  11  11.612 -14.156 -14.156
   90   1HG   LYS  11           HG2      LYS  11  11.870 -16.085 -16.085
   91   2HG   LYS  11           HG3      LYS  11  12.834 -16.670 -16.670
   92   1HD   LYS  11           HD2      LYS  11  14.150 -14.946 -14.946
   93   2HD   LYS  11           HD3      LYS  11  13.835 -16.633 -16.633
   94   1HE   LYS  11           HE2      LYS  11  15.916 -16.902 -16.902
   95   2HE   LYS  11           HE3      LYS  11  14.963 -16.967 -16.967
   96   1HZ   LYS  11           HZ1      LYS  11  16.533 -15.334 -15.334
   97   2HZ   LYS  11           HZ2      LYS  11  15.295 -14.402 -14.402
   98    H    THR  12           HN       THR  12  11.832 -16.925 -16.925
   99    HA   THR  12           HA       THR  12  10.321 -17.802 -17.802
  100    HB   THR  12           HB       THR  12   8.130 -16.662 -16.662
  101    HG1  THR  12           HG1      THR  12   8.401 -14.407 -14.407
  102   1HG2  THR  12           HG2      THR  12   9.777 -17.217 -17.217
  103   2HG2  THR  12           HG2      THR  12   9.091 -15.603 -15.603
  104   3HG2  THR  12           HG2      THR  12   8.012 -16.988 -16.988
  105    H    VAL  13           HN       VAL  13   8.469 -16.683 -16.683
  106    HA   VAL  13           HA       VAL  13   8.424 -16.323 -16.323
  107    HB   VAL  13           HB       VAL  13   9.157 -14.143 -14.143
  108   1HG1  VAL  13           HG1      VAL  13   7.461 -14.643 -14.643
  109   2HG1  VAL  13           HG1      VAL  13   8.500 -13.321 -13.321
  110   3HG1  VAL  13           HG1      VAL  13   7.576 -13.127 -13.127
  111   1HG2  VAL  13           HG2      VAL  13  11.453 -14.372 -14.372
  112   2HG2  VAL  13           HG2      VAL  13  10.690 -12.765 -12.765
  113   3HG2  VAL  13           HG2      VAL  13  10.674 -13.814 -13.814
  114    H    LYS  14           HN       LYS  14  10.113 -15.510 -15.510
  115    HA   LYS  14           HA       LYS  14  12.640 -16.877 -16.877
  116   1HB   LYS  14           HB2      LYS  14  12.330 -18.559 -18.559
  117   2HB   LYS  14           HB3      LYS  14  10.830 -18.583 -18.583
  118   1HG   LYS  14           HG2      LYS  14   9.808 -18.426 -18.426
  119   2HG   LYS  14           HG3      LYS  14  10.231 -16.727 -16.727
  120   1HD   LYS  14           HD2      LYS  14  11.138 -17.333 -17.333
  121   2HD   LYS  14           HD3      LYS  14  12.535 -17.499 -17.499
  122   1HE   LYS  14           HE2      LYS  14  12.536 -19.820 -19.820
  123   2HE   LYS  14           HE3      LYS  14  10.791 -19.927 -19.927
  124   1HZ   LYS  14           HZ1      LYS  14  11.742 -20.486 -20.486
  125   2HZ   LYS  14           HZ2      LYS  14  11.026 -19.035 -19.035
  126    H    CYS  15           HN       CYS  15  14.234 -16.146 -16.146
  127    HA   CYS  15           HA       CYS  15  13.524 -13.660 -13.660
  128   1HB   CYS  15           HB2      CYS  15  15.543 -13.787 -13.787
  129   2HB   CYS  15           HB3      CYS  15  16.184 -15.060 -15.060
  130    H    PHE  16           HN       PHE  16  12.760 -13.675 -13.675
  131    HA   PHE  16           HA       PHE  16  13.238 -16.004 -16.004
  132   1HB   PHE  16           HB2      PHE  16  11.652 -13.388 -13.388
  133   2HB   PHE  16           HB3      PHE  16  11.778 -14.419 -14.419
  134    HD1  PHE  16           HD1      PHE  16  11.188 -16.985 -16.985
  135    HD2  PHE  16           HD2      PHE  16   9.815 -13.669 -13.669
  136    HE1  PHE  16           HE1      PHE  16   9.251 -18.351 -18.351
  137    HE2  PHE  16           HE2      PHE  16   7.879 -15.035 -15.035
  138   1HZ   PHE  16           HZ       PHE  16   7.620 -17.360 -17.360
  139    H    ASN  17           HN       ASN  17  15.290 -13.674 -13.674
  140    HA   ASN  17           HA       ASN  17  15.981 -12.963 -12.963
  141   1HB   ASN  17           HB2      ASN  17  15.834 -11.222 -11.222
  142   2HB   ASN  17           HB3      ASN  17  17.280 -11.962 -11.962
  143   1HD2  ASN  17           HD2      ASN  17  19.544 -10.675 -10.675
  144   2HD2  ASN  17           HD2      ASN  17  19.235 -11.838 -11.838
  145    H    CYS  18           HN       CYS  18  17.217 -14.438 -14.438
  146    HA   CYS  18           HA       CYS  18  19.542 -15.406 -15.406
  147   1HB   CYS  18           HB2      CYS  18  20.520 -15.845 -15.845
  148   2HB   CYS  18           HB3      CYS  18  20.249 -14.154 -14.154
  149    H    GLY  19           HN       GLY  19  16.738 -16.249 -16.249
  150   1HA   GLY  19           HA1      GLY  19  15.513 -18.226 -18.226
  151   2HA   GLY  19           HA2      GLY  19  16.956 -19.026 -19.026
  152    H    LYS  20           HN       LYS  20  17.155 -16.941 -16.941
  153    HA   LYS  20           HA       LYS  20  17.626 -19.353 -19.353
  154   1HB   LYS  20           HB2      LYS  20  19.195 -17.116 -17.116
  155   2HB   LYS  20           HB3      LYS  20  18.389 -16.750 -16.750
  156   1HG   LYS  20           HG2      LYS  20  20.310 -17.969 -17.969
  157   2HG   LYS  20           HG3      LYS  20  19.024 -19.159 -19.159
  158   1HD   LYS  20           HD2      LYS  20  20.169 -20.463 -20.463
  159   2HD   LYS  20           HD3      LYS  20  20.010 -19.221 -19.221
  160   1HE   LYS  20           HE2      LYS  20  22.056 -18.071 -18.071
  161   2HE   LYS  20           HE3      LYS  20  22.273 -19.553 -19.553
  162   1HZ   LYS  20           HZ1      LYS  20  23.137 -20.547 -20.547
  163   2HZ   LYS  20           HZ2      LYS  20  21.913 -20.093 -20.093
  164    H    GLU  21           HN       GLU  21  16.118 -19.983 -19.983
  165    HA   GLU  21           HA       GLU  21  13.806 -18.406 -18.406
  166   1HB   GLU  21           HB2      GLU  21  13.062 -20.243 -20.243
  167   2HB   GLU  21           HB3      GLU  21  13.687 -20.856 -20.856
  168   1HG   GLU  21           HG2      GLU  21  15.852 -21.394 -21.394
  169   2HG   GLU  21           HG3      GLU  21  15.351 -20.644 -20.644
  170    HE1  GLU  21           HE2      GLU  21  14.108 -24.325 -24.325
  171    H    GLY  22           HN       GLY  22  13.227 -16.994 -16.994
  172   1HA   GLY  22           HA1      GLY  22  13.559 -16.750 -16.750
  173   2HA   GLY  22           HA2      GLY  22  15.250 -16.559 -16.559
  174    H    HIS  23           HN       HIS  23  15.090 -15.064 -15.064
  175    HA   HIS  23           HA       HIS  23  13.784 -12.623 -12.623
  176   1HB   HIS  23           HB2      HIS  23  15.595 -11.323 -11.323
  177   2HB   HIS  23           HB3      HIS  23  16.286 -12.625 -12.625
  178    HD1  HIS  23           HD1      HIS  23  17.294 -14.710 -14.710
  179    HD2  HIS  23           HD2      HIS  23  16.575 -11.120 -11.120
  180    HE1  HIS  23           HE1      HIS  23  18.624 -14.848 -14.848
  181    H    ILE  24           HN       ILE  24  13.663 -10.988 -10.988
  182    HA   ILE  24           HA       ILE  24  12.501 -12.592 -12.592
  183    HB   ILE  24           HB       ILE  24  11.045 -10.551 -10.551
  184   1HG1  ILE  24           HG1      ILE  24  11.960  -9.892  -9.892
  185   2HG1  ILE  24           HG1      ILE  24  12.416  -9.002  -9.002
  186   1HG2  ILE  24           HG2      ILE  24  10.824 -12.762 -12.762
  187   2HG2  ILE  24           HG2      ILE  24   9.967 -11.353 -11.353
  188   3HG2  ILE  24           HG2      ILE  24   9.559 -11.951 -11.951
  189   1HD1  ILE  24           HD1      ILE  24  10.004  -8.526  -8.526
  190   2HD1  ILE  24           HD1      ILE  24   9.566  -9.394  -9.394
  191   3HD1  ILE  24           HD1      ILE  24  10.519  -7.894  -7.894
  192    H    ALA  25           HN       ALA  25  12.408 -11.241 -11.241
  193    HA   ALA  25           HA       ALA  25  15.052 -10.685 -10.685
  194   1HB   ALA  25           HB2      ALA  25  12.353 -10.182 -10.182
  195   2HB   ALA  25           HB3      ALA  25  13.889  -9.777  -9.777
  196   3HB   ALA  25           HB1      ALA  25  13.531 -11.465 -11.465
  197    H    LYS  26           HN       LYS  26  12.333  -8.646  -8.646
  198    HA   LYS  26           HA       LYS  26  13.558  -6.194  -6.194
  199   1HB   LYS  26           HB2      LYS  26  11.112  -6.559  -6.559
  200   2HB   LYS  26           HB3      LYS  26  11.415  -6.755  -6.755
  201   1HG   LYS  26           HG2      LYS  26  11.253  -4.503  -4.503
  202   2HG   LYS  26           HG3      LYS  26  12.772  -4.371  -4.371
  203   1HD   LYS  26           HD2      LYS  26  11.326  -3.028  -3.028
  204   2HD   LYS  26           HD3      LYS  26  11.334  -4.542  -4.542
  205   1HE   LYS  26           HE2      LYS  26   9.048  -4.324  -4.324
  206   2HE   LYS  26           HE3      LYS  26   9.264  -5.049  -5.049
  207   1HZ   LYS  26           HZ1      LYS  26   8.852  -2.203  -2.203
  208   2HZ   LYS  26           HZ2      LYS  26   8.073  -3.116  -3.116
  209    H    ASN  27           HN       ASN  27  14.127  -8.566  -8.566
  210    HA   ASN  27           HA       ASN  27  15.553  -6.561  -6.561
  211   1HB   ASN  27           HB2      ASN  27  13.952  -8.914  -8.914
  212   2HB   ASN  27           HB3      ASN  27  15.563  -9.073  -9.073
  213   1HD2  ASN  27           HD2      ASN  27  15.387  -6.138  -6.138
  214   2HD2  ASN  27           HD2      ASN  27  16.448  -7.030  -7.030
  215    H    CYS  28           HN       CYS  28  16.224  -8.217  -8.217
  216    HA   CYS  28           HA       CYS  28  18.281  -9.997  -9.997
  217   1HB   CYS  28           HB2      CYS  28  16.913 -10.217 -10.217
  218   2HB   CYS  28           HB3      CYS  28  17.808  -8.861  -8.861
  219    H    ARG  29           HN       ARG  29  20.205  -9.261  -9.261
  220    HA   ARG  29           HA       ARG  29  20.955  -6.566  -6.566
  221   1HB   ARG  29           HB2      ARG  29  21.826  -8.846  -8.846
  222   2HB   ARG  29           HB3      ARG  29  23.149  -7.812  -7.812
  223   1HG   ARG  29           HG2      ARG  29  22.542  -6.263  -6.263
  224   2HG   ARG  29           HG3      ARG  29  20.980  -6.086  -6.086
  225   1HD   ARG  29           HD2      ARG  29  19.913  -7.348  -7.348
  226   2HD   ARG  29           HD3      ARG  29  21.176  -8.564  -8.564
  227    HE   ARG  29           HE       ARG  29  22.089  -7.509  -7.509
  228   1HH1  ARG  29           HH2      ARG  29  20.127  -5.139  -5.139
  229   2HH1  ARG  29           HH2      ARG  29  20.345  -3.895  -3.895
  230    HH2  ARG  29           HH1      ARG  29  21.672  -4.345  -4.345
  231    H    ALA  30           HN       ALA  30  21.088  -9.172  -9.172
  232    HA   ALA  30           HA       ALA  30  23.631  -8.288  -8.288
  233   1HB   ALA  30           HB3      ALA  30  23.017 -10.831 -10.831
  234   2HB   ALA  30           HB1      ALA  30  22.938 -11.019 -11.019
  235   3HB   ALA  30           HB2      ALA  30  24.419 -10.392 -10.392
  236    HA   PRO  31           HA       PRO  31  20.352  -7.623  -7.623
  237   1HB   PRO  31           HB2      PRO  31  21.236  -5.206  -5.206
  238   2HB   PRO  31           HB3      PRO  31  20.075  -5.370  -5.370
  239   1HG   PRO  31           HG2      PRO  31  22.940  -4.658  -4.658
  240   2HG   PRO  31           HG3      PRO  31  21.685  -4.417  -4.417
  241   1HD   PRO  31           HD2      PRO  31  23.717  -6.441  -6.441
  242   2HD   PRO  31           HD3      PRO  31  22.393  -6.270  -6.270
  243    H    ARG  32           HN       ARG  32  20.521  -6.880  -6.880
  244    HA   ARG  32           HA       ARG  32  22.948  -7.249  -7.249
  245   1HB   ARG  32           HB2      ARG  32  22.450  -9.577  -9.577
  246   2HB   ARG  32           HB3      ARG  32  23.040  -9.557  -9.557
  247   1HG   ARG  32           HG2      ARG  32  20.798  -9.878  -9.878
  248   2HG   ARG  32           HG3      ARG  32  20.065  -9.607  -9.607
  249   1HD   ARG  32           HD2      ARG  32  21.515 -11.666 -11.666
  250   2HD   ARG  32           HD3      ARG  32  21.686 -12.006 -12.006
  251    HE   ARG  32           HE       ARG  32  18.991 -11.698 -11.698
  252   1HH1  ARG  32           HH2      ARG  32  20.040 -14.705 -14.705
  253   2HH1  ARG  32           HH2      ARG  32  21.224 -13.523 -13.523
  254    HH2  ARG  32           HH1      ARG  32  17.816 -14.530 -14.530
  255    H    LYS  33           HN       LYS  33  22.624  -7.652  -7.652
  256    HA   LYS  33           HA       LYS  33  21.685  -6.718  -6.718
  257   1HB   LYS  33           HB2      LYS  33  19.293  -7.821  -7.821
  258   2HB   LYS  33           HB3      LYS  33  20.776  -8.743  -8.743
  259   1HG   LYS  33           HG2      LYS  33  20.551  -9.414  -9.414
  260   2HG   LYS  33           HG3      LYS  33  19.031  -8.546  -8.546
  261   1HD   LYS  33           HD2      LYS  33  18.820 -10.214 -10.214
  262   2HD   LYS  33           HD3      LYS  33  19.575 -11.213 -11.213
  263   1HE   LYS  33           HE2      LYS  33  17.018  -9.596  -9.596
  264   2HE   LYS  33           HE3      LYS  33  17.048 -11.302 -11.302
  265   1HZ   LYS  33           HZ1      LYS  33  18.765 -10.974 -10.974
  266   2HZ   LYS  33           HZ2      LYS  33  17.435 -10.112 -10.112
  267    H    LYS  34           HN       LYS  34  18.384  -6.920  -6.920
  268    HA   LYS  34           HA       LYS  34  16.864  -5.280  -5.280
  269   1HB   LYS  34           HB2      LYS  34  16.925  -4.049  -4.049
  270   2HB   LYS  34           HB3      LYS  34  17.656  -5.611  -5.611
  271   1HG   LYS  34           HG2      LYS  34  19.785  -4.726  -4.726
  272   2HG   LYS  34           HG3      LYS  34  19.527  -3.438  -3.438
  273   1HD   LYS  34           HD2      LYS  34  19.503  -2.213  -2.213
  274   2HD   LYS  34           HD3      LYS  34  17.791  -2.539  -2.539
  275   1HE   LYS  34           HE2      LYS  34  19.695  -4.275  -4.275
  276   2HE   LYS  34           HE3      LYS  34  18.690  -3.010  -3.010
  277   1HZ   LYS  34           HZ1      LYS  34  17.210  -4.706  -4.706
  278   2HZ   LYS  34           HZ2      LYS  34  16.876  -4.432  -4.432
  279    H    GLY  35           HN       GLY  35  18.671  -4.882  -4.882
  280   1HA   GLY  35           HA1      GLY  35  19.349  -2.035  -2.035
  281   2HA   GLY  35           HA2      GLY  35  19.818  -3.215  -3.215
  282    H    CYS  36           HN       CYS  36  18.108  -0.485  -0.485
  283    HA   CYS  36           HA       CYS  36  15.557  -0.902  -0.902
  284   1HB   CYS  36           HB2      CYS  36  16.660   1.286   1.286
  285   2HB   CYS  36           HB3      CYS  36  17.393   1.228   1.228
  286    H    TRP  37           HN       TRP  37  14.761  -2.197  -2.197
  287    HA   TRP  37           HA       TRP  37  16.485  -2.785  -2.785
  288   1HB   TRP  37           HB2      TRP  37  14.210  -4.073  -4.073
  289   2HB   TRP  37           HB3      TRP  37  14.181  -4.196  -4.196
  290    HD1  TRP  37           HD1      TRP  37  16.117  -5.486  -5.486
  291    HE1  TRP  37           HE1      TRP  37  17.822  -7.387  -7.387
  292    HE3  TRP  37           HE3      TRP  37  15.624  -4.894  -4.894
  293    HZ2  TRP  37           HZ2      TRP  37  18.752  -8.407  -8.407
  294    HZ3  TRP  37           HZ3      TRP  37  16.967  -6.383  -6.383
  295    HH2  TRP  37           HH2      TRP  37  18.489  -8.093  -8.093
  296    H    LYS  38           HN       LYS  38  14.903  -0.142  -0.142
  297    HA   LYS  38           HA       LYS  38  13.356  -0.012  -0.012
  298   1HB   LYS  38           HB2      LYS  38  12.278   0.458   0.458
  299   2HB   LYS  38           HB3      LYS  38  13.203   1.947   1.947
  300   1HG   LYS  38           HG2      LYS  38  12.110   1.955   1.955
  301   2HG   LYS  38           HG3      LYS  38  10.834   1.199   1.199
  302   1HD   LYS  38           HD2      LYS  38  11.436   3.241   3.241
  303   2HD   LYS  38           HD3      LYS  38  11.935   3.987   3.987
  304   1HE   LYS  38           HE2      LYS  38   9.497   2.869   2.869
  305   2HE   LYS  38           HE3      LYS  38   9.203   3.299   3.299
  306   1HZ   LYS  38           HZ1      LYS  38   8.962   5.404   5.404
  307   2HZ   LYS  38           HZ2      LYS  38  10.531   5.460   5.460
  308    H    CYS  39           HN       CYS  39  15.865   1.626   1.626
  309    HA   CYS  39           HA       CYS  39  16.523   3.216   3.216
  310   1HB   CYS  39           HB2      CYS  39  17.716   4.710   4.710
  311   2HB   CYS  39           HB3      CYS  39  15.995   4.609   4.609
  312    H    GLY  40           HN       GLY  40  17.486   0.656   0.656
  313   1HA   GLY  40           HA1      GLY  40  19.150  -0.888  -0.888
  314   2HA   GLY  40           HA2      GLY  40  20.005   0.357   0.357
  315    H    LYS  41           HN       LYS  41  19.178   2.140   2.140
  316    HA   LYS  41           HA       LYS  41  21.695   2.138   2.138
  317   1HB   LYS  41           HB2      LYS  41  19.809   3.903   3.903
  318   2HB   LYS  41           HB3      LYS  41  19.192   3.033   3.033
  319   1HG   LYS  41           HG2      LYS  41  20.695   4.098   4.098
  320   2HG   LYS  41           HG3      LYS  41  21.997   3.311   3.311
  321   1HD   LYS  41           HD2      LYS  41  21.490   5.243   5.243
  322   2HD   LYS  41           HD3      LYS  41  20.833   6.065   6.065
  323   1HE   LYS  41           HE2      LYS  41  23.003   5.703   5.703
  324   2HE   LYS  41           HE3      LYS  41  23.657   4.913   4.913
  325   1HZ   LYS  41           HZ1      LYS  41  24.222   7.312   7.312
  326   2HZ   LYS  41           HZ2      LYS  41  23.412   6.965   6.965
  327    H    GLU  42           HN       GLU  42  22.584   0.265   0.265
  328    HA   GLU  42           HA       GLU  42  20.975  -1.584  -1.584
  329   1HB   GLU  42           HB2      GLU  42  23.090  -2.853  -2.853
  330   2HB   GLU  42           HB3      GLU  42  22.845  -2.343  -2.343
  331   1HG   GLU  42           HG2      GLU  42  24.242  -0.189  -0.189
  332   2HG   GLU  42           HG3      GLU  42  24.989  -1.609  -1.609
  333    HE1  GLU  42           HE2      GLU  42  26.365  -2.949  -2.949
  334    H    GLY  43           HN       GLY  43  20.261   0.235   0.235
  335   1HA   GLY  43           HA1      GLY  43  21.603  -0.168  -0.168
  336   2HA   GLY  43           HA2      GLY  43  21.922   1.432   1.432
  337    H    HIS  44           HN       HIS  44  19.725   2.453   2.453
  338    HA   HIS  44           HA       HIS  44  17.920   2.539   2.539
  339   1HB   HIS  44           HB2      HIS  44  17.159   4.550   4.550
  340   2HB   HIS  44           HB3      HIS  44  18.852   4.541   4.541
  341    HD1  HIS  44           HD1      HIS  44  19.101   5.521   5.521
  342    HD2  HIS  44           HD2      HIS  44  15.659   3.144   3.144
  343    HE1  HIS  44           HE1      HIS  44  18.011   5.537   5.537
  344    H    GLN  45           HN       GLN  45  15.470   2.608   2.608
  345    HA   GLN  45           HA       GLN  45  14.926   0.554   0.554
  346   1HB   GLN  45           HB2      GLN  45  13.871   0.866   0.866
  347   2HB   GLN  45           HB3      GLN  45  12.939  -0.006  -0.006
  348   1HG   GLN  45           HG2      GLN  45  15.859  -0.643  -0.643
  349   2HG   GLN  45           HG3      GLN  45  14.517  -1.436  -1.436
  350   1HE2  GLN  45           HE2      GLN  45  15.591  -3.591  -3.591
  351   2HE2  GLN  45           HE2      GLN  45  16.260  -2.953  -2.953
  352    H    MET  46           HN       MET  46  12.228   0.561   0.561
  353    HA   MET  46           HA       MET  46  11.721   2.876   2.876
  354   1HB   MET  46           HB2      MET  46  10.557   0.711   0.711
  355   2HB   MET  46           HB3      MET  46   9.840   0.776   0.776
  356   1HG   MET  46           HG2      MET  46   8.054   1.696   1.696
  357   2HG   MET  46           HG3      MET  46   8.971   3.181   3.181
  358   1HE   MET  46           HE2      MET  46   9.908   4.460   4.460
  359   2HE   MET  46           HE3      MET  46  11.229   3.384   3.384
  360   3HE   MET  46           HE1      MET  46  10.139   4.097   4.097
  361    H    LYS  47           HN       LYS  47  10.935   1.924   1.924
  362    HA   LYS  47           HA       LYS  47   9.183   4.066   4.066
  363   1HB   LYS  47           HB2      LYS  47   9.597   1.821   1.821
  364   2HB   LYS  47           HB3      LYS  47  10.835   2.723   2.723
  365   1HG   LYS  47           HG2      LYS  47   9.223   4.370   4.370
  366   2HG   LYS  47           HG3      LYS  47   7.975   3.744   3.744
  367   1HD   LYS  47           HD2      LYS  47   8.332   1.477   1.477
  368   2HD   LYS  47           HD3      LYS  47   9.132   2.469   2.469
  369   1HE   LYS  47           HE2      LYS  47   6.990   3.973   3.973
  370   2HE   LYS  47           HE3      LYS  47   6.239   2.626   2.626
  371   1HZ   LYS  47           HZ1      LYS  47   6.548   2.881   2.881
  372   2HZ   LYS  47           HZ2      LYS  47   6.036   1.548   1.548
  373    H    ASP  48           HN       ASP  48  12.633   3.851   3.851
  374    HA   ASP  48           HA       ASP  48  12.838   6.525   6.525
  375   1HB   ASP  48           HB2      ASP  48  14.846   4.241   4.241
  376   2HB   ASP  48           HB3      ASP  48  15.368   5.891   5.891
  377    HD1  ASP  48           HD2      ASP  48  12.981   3.737   3.737
  378    H    CYS  49           HN       CYS  49  12.201   5.261   5.261
  379    HA   CYS  49           HA       CYS  49  14.493   6.128   6.128
  380   1HB   CYS  49           HB2      CYS  49  13.306   4.047   4.047
  381   2HB   CYS  49           HB3      CYS  49  11.845   4.965   4.965
  382    H    THR  50           HN       THR  50  14.681   8.329   8.329
  383    HA   THR  50           HA       THR  50  12.323   9.992   9.992
  384    HB   THR  50           HB       THR  50  14.059  11.801  11.801
  385    HG1  THR  50           HG1      THR  50  15.483  10.529  10.529
  386   1HG2  THR  50           HG2      THR  50  13.684  10.278  10.278
  387   2HG2  THR  50           HG2      THR  50  15.344   9.760   9.760
  388   3HG2  THR  50           HG2      THR  50  14.996  11.479  11.479
  389    H    GLU  51           HN       GLU  51  13.402   7.953   7.953
  390    HA   GLU  51           HA       GLU  51  13.158   9.852   9.852
  391   1HB   GLU  51           HB2      GLU  51  14.358   7.194   7.194
  392   2HB   GLU  51           HB3      GLU  51  13.405   7.274   7.274
  393   1HG   GLU  51           HG2      GLU  51  15.483   8.054   8.054
  394   2HG   GLU  51           HG3      GLU  51  14.657   9.560   9.560
  395    HE2  GLU  51           HE2      GLU  51  17.811   8.504   8.504
  396    H    ARG  52           HN       ARG  52  11.514   9.701   9.701
  397    HA   ARG  52           HA       ARG  52   9.236   8.122   8.122
  398   1HB   ARG  52           HB2      ARG  52   9.201  10.790  10.790
  399   2HB   ARG  52           HB3      ARG  52   8.954  10.562  10.562
  400   1HG   ARG  52           HG2      ARG  52   7.133   8.756   8.756
  401   2HG   ARG  52           HG3      ARG  52   7.102  10.020  10.020
  402   1HD   ARG  52           HD2      ARG  52   5.534  10.919  10.919
  403   2HD   ARG  52           HD3      ARG  52   6.968  11.607  11.607
  404    HE   ARG  52           HE       ARG  52   6.576  10.280  10.280
  405   1HH1  ARG  52           HH2      ARG  52   4.982   8.763   8.763
  406   2HH1  ARG  52           HH2      ARG  52   4.259   7.504   7.504
  407    HH2  ARG  52           HH1      ARG  52   4.648   7.440   7.440
  408    H    GLN  53           HN       GLN  53  10.596   9.765   9.765
  409    HA   GLN  53           HA       GLN  53   9.966   7.315   7.315
  410   1HB   GLN  53           HB2      GLN  53   8.304   9.157   9.157
  411   2HB   GLN  53           HB3      GLN  53   9.620  10.138  10.138
  412   1HG   GLN  53           HG2      GLN  53   8.434   8.955   8.955
  413   2HG   GLN  53           HG3      GLN  53  10.116   8.472   8.472
  414   1HE2  GLN  53           HE2      GLN  53   7.062   5.887   5.887
  415   2HE2  GLN  53           HE2      GLN  53   6.843   7.605   7.605
  416    H    ALA  54           HN       ALA  54  12.397   7.275   7.275
  417    HA   ALA  54           HA       ALA  54  14.513   7.045   7.045
  418   1HB   ALA  54           HB1      ALA  54  13.126   7.303   7.303
  419   2HB   ALA  54           HB2      ALA  54  14.579   8.325   8.325
  420   3HB   ALA  54           HB3      ALA  54  14.735   6.597   6.597
  421    H    ASN  55           HN       ASN  55  13.319  10.135  10.135
  422    HA   ASN  55           HA       ASN  55  15.466  11.645  11.645
  423   1HB   ASN  55           HB2      ASN  55  12.542  12.128  12.128
  424   2HB   ASN  55           HB3      ASN  55  13.430  13.383  13.383
  425   1HD2  ASN  55           HD2      ASN  55  15.326  14.456  14.456
  426   2HD2  ASN  55           HD2      ASN  55  15.447  14.155  14.155

  Start of MODEL    2
    1    H    MET   1           HN       MET   1   1.884   0.000   0.000
    2    HA   MET   1           HA       MET   1   1.332   0.136   0.136
    3   1HB   MET   1           HB2      MET   1   3.457   1.296   1.296
    4   2HB   MET   1           HB3      MET   1   3.947   0.882   0.882
    5   1HG   MET   1           HG2      MET   1   3.097   2.883   2.883
    6   2HG   MET   1           HG3      MET   1   1.499   2.226   2.226
    7   1HE   MET   1           HE1      MET   1   2.534   5.072   5.072
    8   2HE   MET   1           HE2      MET   1   0.892   5.176   5.176
    9   3HE   MET   1           HE3      MET   1   2.253   5.951   5.951
   10    H    GLN   2           HN       GLN   2   3.195  -0.870  -0.870
   11    HA   GLN   2           HA       GLN   2   4.880  -2.751  -2.751
   12   1HB   GLN   2           HB2      GLN   2   2.433  -3.752  -3.752
   13   2HB   GLN   2           HB3      GLN   2   2.582  -4.247  -4.247
   14   1HG   GLN   2           HG2      GLN   2   4.757  -4.829  -4.829
   15   2HG   GLN   2           HG3      GLN   2   3.409  -5.919  -5.919
   16   1HE2  GLN   2           HE2      GLN   2   4.384  -7.051  -7.051
   17   2HE2  GLN   2           HE2      GLN   2   3.052  -6.777  -6.777
   18    H    LYS   3           HN       LYS   3   2.501  -2.532  -2.532
   19    HA   LYS   3           HA       LYS   3   4.510  -1.799  -1.799
   20   1HB   LYS   3           HB2      LYS   3   4.548  -4.519  -4.519
   21   2HB   LYS   3           HB3      LYS   3   3.571  -4.424  -4.424
   22   1HG   LYS   3           HG2      LYS   3   5.494  -2.753  -2.753
   23   2HG   LYS   3           HG3      LYS   3   6.443  -3.572  -3.572
   24   1HD   LYS   3           HD2      LYS   3   6.791  -5.285  -5.285
   25   2HD   LYS   3           HD3      LYS   3   5.074  -5.634  -5.634
   26   1HE   LYS   3           HE2      LYS   3   5.568  -5.264  -5.264
   27   2HE   LYS   3           HE3      LYS   3   4.816  -3.770  -3.770
   28   1HZ   LYS   3           HZ1      LYS   3   7.713  -3.892  -3.892
   29   2HZ   LYS   3           HZ2      LYS   3   7.166  -3.829  -3.829
   30    H    GLY   4           HN       GLY   4   1.476  -3.807  -3.807
   31   1HA   GLY   4           HA1      GLY   4  -0.014  -1.612  -1.612
   32   2HA   GLY   4           HA2      GLY   4   0.242  -2.976  -2.976
   33    H    ASN   5           HN       ASN   5  -2.168  -1.770  -1.770
   34    HA   ASN   5           HA       ASN   5  -3.544  -4.120  -4.120
   35   1HB   ASN   5           HB2      ASN   5  -1.814  -3.970  -3.970
   36   2HB   ASN   5           HB3      ASN   5  -3.198  -3.126  -3.126
   37   1HD2  ASN   5           HD2      ASN   5  -3.442  -7.125  -7.125
   38   2HD2  ASN   5           HD2      ASN   5  -2.275  -6.056  -6.056
   39    H    PHE   6           HN       PHE   6  -5.543  -3.214  -3.214
   40    HA   PHE   6           HA       PHE   6  -7.123  -1.663  -1.663
   41   1HB   PHE   6           HB2      PHE   6  -8.190  -1.182  -1.182
   42   2HB   PHE   6           HB3      PHE   6  -7.551  -2.813  -2.813
   43    HD1  PHE   6           HD2      PHE   6  -5.616  -3.363  -3.363
   44    HD2  PHE   6           HD1      PHE   6  -7.179   0.581   0.581
   45    HE1  PHE   6           HE2      PHE   6  -4.305  -2.805  -2.805
   46    HE2  PHE   6           HE1      PHE   6  -5.868   1.139   1.139
   47   1HZ   PHE   6           HZ       PHE   6  -4.446  -0.561  -0.561
   48    H    ARG   7           HN       ARG   7  -7.845   0.638   0.638
   49    HA   ARG   7           HA       ARG   7  -7.397   2.737   2.737
   50   1HB   ARG   7           HB2      ARG   7  -4.836   1.533   1.533
   51   2HB   ARG   7           HB3      ARG   7  -4.531   2.977   2.977
   52   1HG   ARG   7           HG2      ARG   7  -6.459   3.104   3.104
   53   2HG   ARG   7           HG3      ARG   7  -4.733   3.138   3.138
   54   1HD   ARG   7           HD2      ARG   7  -5.767   4.988   4.988
   55   2HD   ARG   7           HD3      ARG   7  -6.174   5.389   5.389
   56    HE   ARG   7           HE       ARG   7  -3.346   4.730   4.730
   57   1HH1  ARG   7           HH2      ARG   7  -5.730   7.336   7.336
   58   2HH1  ARG   7           HH2      ARG   7  -4.558   8.597   8.597
   59    HH2  ARG   7           HH1      ARG   7  -2.254   8.019   8.019
   60    H    ASN   8           HN       ASN   8  -4.872   1.531   1.531
   61    HA   ASN   8           HA       ASN   8  -6.105   3.256   3.256
   62   1HB   ASN   8           HB2      ASN   8  -3.982   4.306   4.306
   63   2HB   ASN   8           HB3      ASN   8  -3.076   2.975   2.975
   64   1HD2  ASN   8           HD2      ASN   8  -3.385   3.976   3.976
   65   2HD2  ASN   8           HD2      ASN   8  -3.207   2.628   2.628
   66    H    GLN   9           HN       GLN   9  -3.528   0.772   0.772
   67    HA   GLN   9           HA       GLN   9  -3.563  -0.249  -0.249
   68   1HB   GLN   9           HB2      GLN   9  -1.664  -0.426  -0.426
   69   2HB   GLN   9           HB3      GLN   9  -2.600  -1.629  -1.629
   70   1HG   GLN   9           HG2      GLN   9  -1.397  -3.056  -3.056
   71   2HG   GLN   9           HG3      GLN   9  -2.753  -2.757  -2.757
   72   1HE2  GLN   9           HE2      GLN   9  -1.038  -0.677  -0.677
   73   2HE2  GLN   9           HE2      GLN   9  -2.574  -1.067  -1.067
   74    H    ARG  10           HN       ARG  10  -5.883  -0.562  -0.562
   75    HA   ARG  10           HA       ARG  10  -6.630  -3.199  -3.199
   76   1HB   ARG  10           HB2      ARG  10  -7.208  -1.731  -1.731
   77   2HB   ARG  10           HB3      ARG  10  -8.652  -1.380  -1.380
   78   1HG   ARG  10           HG2      ARG  10  -8.301  -4.161  -4.161
   79   2HG   ARG  10           HG3      ARG  10  -7.868  -3.873  -3.873
   80   1HD   ARG  10           HD2      ARG  10 -10.316  -2.424  -2.424
   81   2HD   ARG  10           HD3      ARG  10 -10.462  -4.170  -4.170
   82    HE   ARG  10           HE       ARG  10 -10.219  -4.250  -4.250
   83   1HH1  ARG  10           HH2      ARG  10  -9.702  -0.955  -0.955
   84   2HH1  ARG  10           HH2      ARG  10  -9.790  -0.238  -0.238
   85    HH2  ARG  10           HH1      ARG  10 -10.164  -1.638  -1.638
   86    H    LYS  11           HN       LYS  11  -6.789  -2.946  -2.946
   87    HA   LYS  11           HA       LYS  11  -9.158  -1.406  -1.406
   88   1HB   LYS  11           HB2      LYS  11  -8.070  -1.059  -1.059
   89   2HB   LYS  11           HB3      LYS  11  -7.129  -0.373  -0.373
   90   1HG   LYS  11           HG2      LYS  11  -6.518  -3.212  -3.212
   91   2HG   LYS  11           HG3      LYS  11  -6.021  -1.942  -1.942
   92   1HD   LYS  11           HD2      LYS  11  -4.576  -0.936  -0.936
   93   2HD   LYS  11           HD3      LYS  11  -5.378  -1.706  -1.706
   94   1HE   LYS  11           HE2      LYS  11  -3.799  -3.236  -3.236
   95   2HE   LYS  11           HE3      LYS  11  -3.117  -2.711  -2.711
   96   1HZ   LYS  11           HZ1      LYS  11  -3.863  -4.852  -4.852
   97   2HZ   LYS  11           HZ2      LYS  11  -5.133  -3.981  -3.981
   98    H    THR  12           HN       THR  12 -10.693  -2.440  -2.440
   99    HA   THR  12           HA       THR  12 -10.093  -5.107  -5.107
  100    HB   THR  12           HB       THR  12 -12.234  -4.502  -4.502
  101    HG1  THR  12           HG1      THR  12  -9.965  -6.353  -6.353
  102   1HG2  THR  12           HG2      THR  12 -11.742  -6.844  -6.844
  103   2HG2  THR  12           HG2      THR  12 -12.185  -7.192  -7.192
  104   3HG2  THR  12           HG2      THR  12 -13.280  -6.237  -6.237
  105    H    VAL  13           HN       VAL  13 -11.612  -5.875  -5.875
  106    HA   VAL  13           HA       VAL  13 -12.364  -4.077  -4.077
  107    HB   VAL  13           HB       VAL  13 -14.042  -5.815  -5.815
  108   1HG1  VAL  13           HG1      VAL  13 -11.183  -5.922  -5.922
  109   2HG1  VAL  13           HG1      VAL  13 -11.820  -7.575  -7.575
  110   3HG1  VAL  13           HG1      VAL  13 -12.272  -6.592  -6.592
  111   1HG2  VAL  13           HG2      VAL  13 -13.278  -6.923  -6.923
  112   2HG2  VAL  13           HG2      VAL  13 -14.854  -6.913  -6.913
  113   3HG2  VAL  13           HG2      VAL  13 -13.588  -8.056  -8.056
  114    H    LYS  14           HN       LYS  14 -14.558  -3.302  -3.302
  115    HA   LYS  14           HA       LYS  14 -16.151  -2.601  -2.601
  116   1HB   LYS  14           HB2      LYS  14 -16.562  -0.464  -0.464
  117   2HB   LYS  14           HB3      LYS  14 -14.838  -0.731  -0.731
  118   1HG   LYS  14           HG2      LYS  14 -15.192  -1.478  -1.478
  119   2HG   LYS  14           HG3      LYS  14 -16.904  -1.144  -1.144
  120   1HD   LYS  14           HD2      LYS  14 -16.012   0.817   0.817
  121   2HD   LYS  14           HD3      LYS  14 -16.239   1.265   1.265
  122   1HE   LYS  14           HE2      LYS  14 -13.764   0.532   0.532
  123   2HE   LYS  14           HE3      LYS  14 -13.633   0.525   0.525
  124   1HZ   LYS  14           HZ1      LYS  14 -13.612   2.771   2.771
  125   2HZ   LYS  14           HZ2      LYS  14 -14.852   2.929   2.929
  126    H    CYS  15           HN       CYS  15 -18.305  -3.103  -3.103
  127    HA   CYS  15           HA       CYS  15 -19.188  -4.756  -4.756
  128   1HB   CYS  15           HB2      CYS  15 -19.705  -5.318  -5.318
  129   2HB   CYS  15           HB3      CYS  15 -20.601  -3.823  -3.823
  130    H    PHE  16           HN       PHE  16 -19.901  -3.798  -3.798
  131    HA   PHE  16           HA       PHE  16 -20.939  -1.108  -1.108
  132   1HB   PHE  16           HB2      PHE  16 -19.580  -2.873  -2.873
  133   2HB   PHE  16           HB3      PHE  16 -21.146  -2.566  -2.566
  134    HD1  PHE  16           HD1      PHE  16 -21.739   0.176   0.176
  135    HD2  PHE  16           HD2      PHE  16 -17.978  -1.587  -1.587
  136    HE1  PHE  16           HE1      PHE  16 -20.906   2.379   2.379
  137    HE2  PHE  16           HE2      PHE  16 -17.145   0.616   0.616
  138   1HZ   PHE  16           HZ       PHE  16 -18.619   2.573   2.573
  139    H    ASN  17           HN       ASN  17 -22.318  -3.897  -3.897
  140    HA   ASN  17           HA       ASN  17 -24.698  -3.602  -3.602
  141   1HB   ASN  17           HB2      ASN  17 -23.748  -5.896  -5.896
  142   2HB   ASN  17           HB3      ASN  17 -24.024  -5.624  -5.624
  143   1HD2  ASN  17           HD2      ASN  17 -27.550  -5.953  -5.953
  144   2HD2  ASN  17           HD2      ASN  17 -26.207  -5.219  -5.219
  145    H    CYS  18           HN       CYS  18 -23.463  -3.466  -3.466
  146    HA   CYS  18           HA       CYS  18 -26.027  -2.311  -2.311
  147   1HB   CYS  18           HB2      CYS  18 -25.355  -2.862  -2.862
  148   2HB   CYS  18           HB3      CYS  18 -25.511  -4.268  -4.268
  149    H    GLY  19           HN       GLY  19 -22.444  -1.972  -1.972
  150   1HA   GLY  19           HA1      GLY  19 -21.459   0.148   0.148
  151   2HA   GLY  19           HA2      GLY  19 -22.787   0.913   0.913
  152    H    LYS  20           HN       LYS  20 -21.310  -2.096  -2.096
  153    HA   LYS  20           HA       LYS  20 -20.074  -0.508  -0.508
  154   1HB   LYS  20           HB2      LYS  20 -21.821  -2.927  -2.927
  155   2HB   LYS  20           HB3      LYS  20 -20.505  -2.847  -2.847
  156   1HG   LYS  20           HG2      LYS  20 -21.875  -1.552  -1.552
  157   2HG   LYS  20           HG3      LYS  20 -21.553  -0.266  -0.266
  158   1HD   LYS  20           HD2      LYS  20 -23.665  -0.351  -0.351
  159   2HD   LYS  20           HD3      LYS  20 -23.621  -2.096  -2.096
  160   1HE   LYS  20           HE2      LYS  20 -24.718  -2.426  -2.426
  161   2HE   LYS  20           HE3      LYS  20 -23.780  -1.204  -1.204
  162   1HZ   LYS  20           HZ1      LYS  20 -26.325  -0.836  -0.836
  163   2HZ   LYS  20           HZ2      LYS  20 -25.288   0.419   0.419
  164    H    GLU  21           HN       GLU  21 -17.954  -0.976  -0.976
  165    HA   GLU  21           HA       GLU  21 -16.577  -2.572  -2.572
  166   1HB   GLU  21           HB2      GLU  21 -14.534  -1.668  -1.668
  167   2HB   GLU  21           HB3      GLU  21 -15.664  -0.381  -0.381
  168   1HG   GLU  21           HG2      GLU  21 -16.379  -1.225  -1.225
  169   2HG   GLU  21           HG3      GLU  21 -14.627  -1.233  -1.233
  170    HE1  GLU  21           HE2      GLU  21 -16.345   1.412   1.412
  171    H    GLY  22           HN       GLY  22 -15.437  -4.510  -4.510
  172   1HA   GLY  22           HA1      GLY  22 -14.471  -5.804  -5.804
  173   2HA   GLY  22           HA2      GLY  22 -16.123  -5.812  -5.812
  174    H    HIS  23           HN       HIS  23 -16.928  -5.825  -5.825
  175    HA   HIS  23           HA       HIS  23 -16.080  -8.448  -8.448
  176   1HB   HIS  23           HB2      HIS  23 -18.293  -9.453  -9.453
  177   2HB   HIS  23           HB3      HIS  23 -17.820  -9.026  -9.026
  178    HD1  HIS  23           HD1      HIS  23 -19.037  -6.912  -6.912
  179    HD2  HIS  23           HD2      HIS  23 -20.607  -8.212  -8.212
  180    HE1  HIS  23           HE1      HIS  23 -21.330  -5.816  -5.816
  181    H    ILE  24           HN       ILE  24 -17.436  -9.058  -9.058
  182    HA   ILE  24           HA       ILE  24 -17.491  -6.583  -6.583
  183    HB   ILE  24           HB       ILE  24 -17.216  -8.131  -8.131
  184   1HG1  ILE  24           HG1      ILE  24 -16.654 -10.229 -10.229
  185   2HG1  ILE  24           HG1      ILE  24 -18.122 -10.155 -10.155
  186   1HG2  ILE  24           HG2      ILE  24 -15.285  -7.374  -7.374
  187   2HG2  ILE  24           HG2      ILE  24 -14.789  -8.860  -8.860
  188   3HG2  ILE  24           HG2      ILE  24 -15.140  -7.382  -7.382
  189   1HD1  ILE  24           HD1      ILE  24 -15.406 -10.177 -10.177
  190   2HD1  ILE  24           HD1      ILE  24 -16.187 -11.690 -11.690
  191   3HD1  ILE  24           HD1      ILE  24 -16.988 -10.637 -10.637
  192    H    ALA  25           HN       ALA  25 -19.131  -6.573  -6.573
  193    HA   ALA  25           HA       ALA  25 -21.686  -6.757  -6.757
  194   1HB   ALA  25           HB2      ALA  25 -20.405  -5.842  -5.842
  195   2HB   ALA  25           HB3      ALA  25 -21.725  -6.923  -6.923
  196   3HB   ALA  25           HB1      ALA  25 -22.073  -5.524  -5.524
  197    H    LYS  26           HN       LYS  26 -19.799  -9.014  -9.014
  198    HA   LYS  26           HA       LYS  26 -21.899 -10.812 -10.812
  199   1HB   LYS  26           HB2      LYS  26 -19.772 -10.642 -10.642
  200   2HB   LYS  26           HB3      LYS  26 -18.920 -11.374 -11.374
  201   1HG   LYS  26           HG2      LYS  26 -20.533 -13.347 -13.347
  202   2HG   LYS  26           HG3      LYS  26 -21.193 -12.631 -12.631
  203   1HD   LYS  26           HD2      LYS  26 -19.594 -13.986 -13.986
  204   2HD   LYS  26           HD3      LYS  26 -18.603 -12.563 -12.563
  205   1HE   LYS  26           HE2      LYS  26 -17.611 -13.486 -13.486
  206   2HE   LYS  26           HE3      LYS  26 -18.813 -14.757 -14.757
  207   1HZ   LYS  26           HZ1      LYS  26 -17.742 -15.170 -15.170
  208   2HZ   LYS  26           HZ2      LYS  26 -16.433 -14.660 -14.660
  209    H    ASN  27           HN       ASN  27 -20.050 -10.030 -10.030
  210    HA   ASN  27           HA       ASN  27 -20.943 -12.532 -12.532
  211   1HB   ASN  27           HB2      ASN  27 -18.365 -11.575 -11.575
  212   2HB   ASN  27           HB3      ASN  27 -18.913 -10.826 -10.826
  213   1HD2  ASN  27           HD2      ASN  27 -19.205 -13.772 -13.772
  214   2HD2  ASN  27           HD2      ASN  27 -19.658 -12.110 -12.110
  215    H    CYS  28           HN       CYS  28 -22.573 -10.089 -10.089
  216    HA   CYS  28           HA       CYS  28 -22.598  -8.686  -8.686
  217   1HB   CYS  28           HB2      CYS  28 -23.093  -7.534  -7.534
  218   2HB   CYS  28           HB3      CYS  28 -24.512  -8.538  -8.538
  219    H    ARG  29           HN       ARG  29 -23.634  -9.469  -9.469
  220    HA   ARG  29           HA       ARG  29 -25.639 -11.515 -11.515
  221   1HB   ARG  29           HB2      ARG  29 -25.228 -12.146 -12.146
  222   2HB   ARG  29           HB3      ARG  29 -23.781 -12.259 -12.259
  223   1HG   ARG  29           HG2      ARG  29 -22.723 -10.812 -10.812
  224   2HG   ARG  29           HG3      ARG  29 -23.890  -9.568  -9.568
  225   1HD   ARG  29           HD2      ARG  29 -24.388  -9.677  -9.677
  226   2HD   ARG  29           HD3      ARG  29 -25.392 -11.027 -11.027
  227    HE   ARG  29           HE       ARG  29 -23.948 -12.448 -12.448
  228   1HH1  ARG  29           HH2      ARG  29 -22.172  -9.492  -9.492
  229   2HH1  ARG  29           HH2      ARG  29 -20.742  -9.968  -9.968
  230    HH2  ARG  29           HH1      ARG  29 -20.699 -12.079 -12.079
  231    H    ALA  30           HN       ALA  30 -25.442  -8.242  -8.242
  232    HA   ALA  30           HA       ALA  30 -26.812  -6.661  -6.661
  233   1HB   ALA  30           HB2      ALA  30 -28.608  -9.019  -9.019
  234   2HB   ALA  30           HB3      ALA  30 -29.279  -7.625  -7.625
  235   3HB   ALA  30           HB1      ALA  30 -28.640  -7.414  -7.414
  236    HA   PRO  31           HA       PRO  31 -26.727  -6.799  -6.799
  237   1HB   PRO  31           HB2      PRO  31 -28.241  -4.622  -4.622
  238   2HB   PRO  31           HB3      PRO  31 -26.570  -4.507  -4.507
  239   1HG   PRO  31           HG2      PRO  31 -29.023  -3.860  -3.860
  240   2HG   PRO  31           HG3      PRO  31 -27.372  -3.364  -3.364
  241   1HD   PRO  31           HD2      PRO  31 -28.847  -5.403  -5.403
  242   2HD   PRO  31           HD3      PRO  31 -27.162  -4.986  -4.986
  243    H    ARG  32           HN       ARG  32 -27.889  -7.099  -7.099
  244    HA   ARG  32           HA       ARG  32 -30.391  -8.411  -8.411
  245   1HB   ARG  32           HB2      ARG  32 -28.188  -8.984  -8.984
  246   2HB   ARG  32           HB3      ARG  32 -29.806  -9.298  -9.298
  247   1HG   ARG  32           HG2      ARG  32 -29.888 -10.393 -10.393
  248   2HG   ARG  32           HG3      ARG  32 -28.248 -10.744 -10.744
  249   1HD   ARG  32           HD2      ARG  32 -29.045 -11.876 -11.876
  250   2HD   ARG  32           HD3      ARG  32 -30.694 -11.366 -11.366
  251    HE   ARG  32           HE       ARG  32 -30.162 -12.731 -12.731
  252   1HH1  ARG  32           HH2      ARG  32 -29.561 -13.594 -13.594
  253   2HH1  ARG  32           HH2      ARG  32 -29.701 -15.298 -15.298
  254    HH2  ARG  32           HH1      ARG  32 -30.164 -16.089 -16.089
  255    H    LYS  33           HN       LYS  33 -29.266  -7.515  -7.515
  256    HA   LYS  33           HA       LYS  33 -30.604  -5.089  -5.089
  257   1HB   LYS  33           HB2      LYS  33 -32.541  -6.824  -6.824
  258   2HB   LYS  33           HB3      LYS  33 -32.262  -7.233  -7.233
  259   1HG   LYS  33           HG2      LYS  33 -33.178  -5.278  -5.278
  260   2HG   LYS  33           HG3      LYS  33 -32.339  -4.313  -4.313
  261   1HD   LYS  33           HD2      LYS  33 -34.070  -4.448  -4.448
  262   2HD   LYS  33           HD3      LYS  33 -34.532  -6.065  -6.065
  263   1HE   LYS  33           HE2      LYS  33 -35.026  -3.582  -3.582
  264   2HE   LYS  33           HE3      LYS  33 -36.212  -4.240  -4.240
  265   1HZ   LYS  33           HZ1      LYS  33 -36.016  -6.378  -6.378
  266   2HZ   LYS  33           HZ2      LYS  33 -35.065  -5.636  -5.636
  267    H    LYS  34           HN       LYS  34 -30.895  -4.532  -4.532
  268    HA   LYS  34           HA       LYS  34 -30.064  -4.438  -4.438
  269   1HB   LYS  34           HB2      LYS  34 -29.867  -7.289  -7.289
  270   2HB   LYS  34           HB3      LYS  34 -28.621  -6.767  -6.767
  271   1HG   LYS  34           HG2      LYS  34 -30.118  -6.402  -6.402
  272   2HG   LYS  34           HG3      LYS  34 -31.248  -5.577  -5.577
  273   1HD   LYS  34           HD2      LYS  34 -30.970  -8.549  -8.549
  274   2HD   LYS  34           HD3      LYS  34 -31.771  -8.006  -8.006
  275   1HE   LYS  34           HE2      LYS  34 -33.197  -6.477  -6.477
  276   2HE   LYS  34           HE3      LYS  34 -32.576  -7.458  -7.458
  277   1HZ   LYS  34           HZ1      LYS  34 -34.755  -8.167  -8.167
  278   2HZ   LYS  34           HZ2      LYS  34 -33.689  -9.324  -9.324
  279    H    GLY  35           HN       GLY  35 -27.647  -6.248  -6.248
  280   1HA   GLY  35           HA1      GLY  35 -25.335  -5.266  -5.266
  281   2HA   GLY  35           HA2      GLY  35 -25.577  -5.648  -5.648
  282    H    CYS  36           HN       CYS  36 -23.782  -3.673  -3.673
  283    HA   CYS  36           HA       CYS  36 -24.803  -1.117  -1.117
  284   1HB   CYS  36           HB2      CYS  36 -22.410  -1.803  -1.803
  285   2HB   CYS  36           HB3      CYS  36 -22.359  -1.928  -1.928
  286    H    TRP  37           HN       TRP  37 -26.307  -0.117  -0.117
  287    HA   TRP  37           HA       TRP  37 -26.572  -1.015  -1.015
  288   1HB   TRP  37           HB2      TRP  37 -28.449  -0.562  -0.562
  289   2HB   TRP  37           HB3      TRP  37 -28.307   1.083   1.083
  290    HD1  TRP  37           HD1      TRP  37 -27.960   0.493   0.493
  291    HE1  TRP  37           HE1      TRP  37 -29.940  -0.417  -0.417
  292    HE3  TRP  37           HE3      TRP  37 -30.649  -1.463  -1.463
  293    HZ2  TRP  37           HZ2      TRP  37 -32.354  -1.822  -1.822
  294    HZ3  TRP  37           HZ3      TRP  37 -32.806  -2.587  -2.587
  295    HH2  TRP  37           HH2      TRP  37 -33.668  -2.783  -2.783
  296    H    LYS  38           HN       LYS  38 -24.333   0.767   0.767
  297    HA   LYS  38           HA       LYS  38 -24.649   3.084   3.084
  298   1HB   LYS  38           HB2      LYS  38 -24.330   3.341   3.341
  299   2HB   LYS  38           HB3      LYS  38 -22.675   2.835   2.835
  300   1HG   LYS  38           HG2      LYS  38 -22.548   4.684   4.684
  301   2HG   LYS  38           HG3      LYS  38 -24.080   5.266   5.266
  302   1HD   LYS  38           HD2      LYS  38 -22.478   4.890   4.890
  303   2HD   LYS  38           HD3      LYS  38 -21.389   5.585   5.585
  304   1HE   LYS  38           HE2      LYS  38 -23.233   7.348   7.348
  305   2HE   LYS  38           HE3      LYS  38 -24.036   6.739   6.739
  306   1HZ   LYS  38           HZ1      LYS  38 -22.036   8.605   8.605
  307   2HZ   LYS  38           HZ2      LYS  38 -22.556   7.808   7.808
  308    H    CYS  39           HN       CYS  39 -22.417   0.447   0.447
  309    HA   CYS  39           HA       CYS  39 -20.817   1.054   1.054
  310   1HB   CYS  39           HB2      CYS  39 -19.042  -0.274  -0.274
  311   2HB   CYS  39           HB3      CYS  39 -19.495   1.159   1.159
  312    H    GLY  40           HN       GLY  40 -22.980  -1.203  -1.203
  313   1HA   GLY  40           HA1      GLY  40 -24.146  -2.873  -2.873
  314   2HA   GLY  40           HA2      GLY  40 -22.905  -2.945  -2.945
  315    H    LYS  41           HN       LYS  41 -21.591  -2.747  -2.747
  316    HA   LYS  41           HA       LYS  41 -20.960  -5.599  -5.599
  317   1HB   LYS  41           HB2      LYS  41 -19.279  -3.487  -3.487
  318   2HB   LYS  41           HB3      LYS  41 -19.546  -3.814  -3.814
  319   1HG   LYS  41           HG2      LYS  41 -18.394  -5.795  -5.795
  320   2HG   LYS  41           HG3      LYS  41 -19.102  -6.272  -6.272
  321   1HD   LYS  41           HD2      LYS  41 -17.406  -5.318  -5.318
  322   2HD   LYS  41           HD3      LYS  41 -17.195  -3.975  -3.975
  323   1HE   LYS  41           HE2      LYS  41 -15.205  -5.375  -5.375
  324   2HE   LYS  41           HE3      LYS  41 -16.080  -5.538  -5.538
  325   1HZ   LYS  41           HZ1      LYS  41 -15.519  -7.551  -7.551
  326   2HZ   LYS  41           HZ2      LYS  41 -16.064  -7.736  -7.736
  327    H    GLU  42           HN       GLU  42 -22.048  -6.975  -6.975
  328    HA   GLU  42           HA       GLU  42 -23.702  -5.857  -5.857
  329   1HB   GLU  42           HB2      GLU  42 -24.634  -8.104  -8.104
  330   2HB   GLU  42           HB3      GLU  42 -24.494  -7.684  -7.684
  331   1HG   GLU  42           HG2      GLU  42 -22.108  -8.855  -8.855
  332   2HG   GLU  42           HG3      GLU  42 -22.817  -9.616  -9.616
  333    HE1  GLU  42           HE2      GLU  42 -22.597  -9.767  -9.767
  334    H    GLY  43           HN       GLY  43 -23.407  -6.005  -6.005
  335   1HA   GLY  43           HA1      GLY  43 -22.380  -7.400  -7.400
  336   2HA   GLY  43           HA2      GLY  43 -20.886  -7.292  -7.292
  337    H    HIS  44           HN       HIS  44 -21.972  -4.377  -4.377
  338    HA   HIS  44           HA       HIS  44 -21.563  -3.080  -3.080
  339   1HB   HIS  44           HB2      HIS  44 -19.624  -1.931  -1.931
  340   2HB   HIS  44           HB3      HIS  44 -19.297  -3.539  -3.539
  341    HD1  HIS  44           HD1      HIS  44 -18.626  -3.722  -3.722
  342    HD2  HIS  44           HD2      HIS  44 -20.410  -0.034  -0.034
  343    HE1  HIS  44           HE1      HIS  44 -18.385  -2.281  -2.281
  344    H    GLN  45           HN       GLN  45 -21.428  -0.466  -0.466
  345    HA   GLN  45           HA       GLN  45 -23.145   0.070   0.070
  346   1HB   GLN  45           HB2      GLN  45 -24.302  -0.302  -0.302
  347   2HB   GLN  45           HB3      GLN  45 -24.574   1.336   1.336
  348   1HG   GLN  45           HG2      GLN  45 -26.368   0.397   0.397
  349   2HG   GLN  45           HG3      GLN  45 -25.172  -0.014  -0.014
  350   1HE2  GLN  45           HE2      GLN  45 -26.297  -2.908  -2.908
  351   2HE2  GLN  45           HE2      GLN  45 -26.162  -1.237  -1.237
  352    H    MET  46           HN       MET  46 -24.030   2.663   2.663
  353    HA   MET  46           HA       MET  46 -21.856   4.172   4.172
  354   1HB   MET  46           HB2      MET  46 -23.322   6.027   6.027
  355   2HB   MET  46           HB3      MET  46 -23.961   5.247   5.247
  356   1HG   MET  46           HG2      MET  46 -24.594   3.671   3.671
  357   2HG   MET  46           HG3      MET  46 -25.151   5.321   5.321
  358   1HE   MET  46           HE2      MET  46 -26.670   6.387   6.387
  359   2HE   MET  46           HE3      MET  46 -27.199   6.272   6.272
  360   3HE   MET  46           HE1      MET  46 -28.171   5.521   5.521
  361    H    LYS  47           HN       LYS  47 -23.049   3.055   3.055
  362    HA   LYS  47           HA       LYS  47 -21.818   4.661   4.661
  363   1HB   LYS  47           HB2      LYS  47 -23.204   2.653   2.653
  364   2HB   LYS  47           HB3      LYS  47 -21.826   1.633   1.633
  365   1HG   LYS  47           HG2      LYS  47 -20.514   2.980   2.980
  366   2HG   LYS  47           HG3      LYS  47 -22.034   3.725   3.725
  367   1HD   LYS  47           HD2      LYS  47 -22.572   0.933   0.933
  368   2HD   LYS  47           HD3      LYS  47 -21.007   1.074   1.074
  369   1HE   LYS  47           HE2      LYS  47 -22.285   3.069   3.069
  370   2HE   LYS  47           HE3      LYS  47 -23.684   2.094   2.094
  371   1HZ   LYS  47           HZ1      LYS  47 -22.326   1.578   1.578
  372   2HZ   LYS  47           HZ2      LYS  47 -22.905   0.335   0.335
  373    H    ASP  48           HN       ASP  48 -20.267   2.438   2.438
  374    HA   ASP  48           HA       ASP  48 -17.778   3.705   3.705
  375   1HB   ASP  48           HB2      ASP  48 -18.249   1.400   1.400
  376   2HB   ASP  48           HB3      ASP  48 -17.646   0.705   0.705
  377    HD2  ASP  48           HD2      ASP  48 -15.954   1.003   1.003
  378    H    CYS  49           HN       CYS  49 -19.410   3.937   3.937
  379    HA   CYS  49           HA       CYS  49 -18.495   1.993   1.993
  380   1HB   CYS  49           HB2      CYS  49 -20.863   2.728   2.728
  381   2HB   CYS  49           HB3      CYS  49 -20.354   4.368   4.368
  382    H    THR  50           HN       THR  50 -16.441   2.326   2.326
  383    HA   THR  50           HA       THR  50 -15.284   4.958   4.958
  384    HB   THR  50           HB       THR  50 -14.300   2.264   2.264
  385    HG1  THR  50           HG1      THR  50 -14.932   2.670   2.670
  386   1HG2  THR  50           HG2      THR  50 -12.806   4.808   4.808
  387   2HG2  THR  50           HG2      THR  50 -12.043   3.263   3.263
  388   3HG2  THR  50           HG2      THR  50 -12.942   4.197   4.197
  389    H    GLU  51           HN       GLU  51 -17.609   3.667   3.667
  390    HA   GLU  51           HA       GLU  51 -16.472   4.948   4.948
  391   1HB   GLU  51           HB2      GLU  51 -17.703   2.411   2.411
  392   2HB   GLU  51           HB3      GLU  51 -18.886   3.391   3.391
  393   1HG   GLU  51           HG2      GLU  51 -16.957   4.104   4.104
  394   2HG   GLU  51           HG3      GLU  51 -16.015   2.821   2.821
  395    HE2  GLU  51           HE2      GLU  51 -17.177   1.069   1.069
  396    H    ARG  52           HN       ARG  52 -17.934   6.310   6.310
  397    HA   ARG  52           HA       ARG  52 -19.423   7.849   7.849
  398   1HB   ARG  52           HB2      ARG  52 -20.902   5.781   5.781
  399   2HB   ARG  52           HB3      ARG  52 -21.363   7.220   7.220
  400   1HG   ARG  52           HG2      ARG  52 -22.901   7.132   7.132
  401   2HG   ARG  52           HG3      ARG  52 -21.738   8.353   8.353
  402   1HD   ARG  52           HD2      ARG  52 -20.673   6.919   6.919
  403   2HD   ARG  52           HD3      ARG  52 -21.288   5.464   5.464
  404    HE   ARG  52           HE       ARG  52 -23.442   7.160   7.160
  405   1HH1  ARG  52           HH2      ARG  52 -21.064   4.727   4.727
  406   2HH1  ARG  52           HH2      ARG  52 -21.989   4.198   4.198
  407    HH2  ARG  52           HH1      ARG  52 -24.101   5.233   5.233
  408    H    GLN  53           HN       GLN  53 -19.379   9.998   9.998
  409    HA   GLN  53           HA       GLN  53 -19.080  11.751  11.751
  410   1HB   GLN  53           HB2      GLN  53 -20.310   9.904   9.904
  411   2HB   GLN  53           HB3      GLN  53 -19.700  11.463  11.463
  412   1HG   GLN  53           HG2      GLN  53 -21.867  12.083  12.083
  413   2HG   GLN  53           HG3      GLN  53 -21.096  12.351  12.351
  414   1HE2  GLN  53           HE2      GLN  53 -23.761   9.272   9.272
  415   2HE2  GLN  53           HE2      GLN  53 -23.075  10.195  10.195
  416    H    ALA  54           HN       ALA  54 -18.234   9.283   9.283
  417    HA   ALA  54           HA       ALA  54 -16.031  10.523  10.523
  418   1HB   ALA  54           HB2      ALA  54 -17.305   7.998   7.998
  419   2HB   ALA  54           HB3      ALA  54 -15.585   7.662   7.662
  420   3HB   ALA  54           HB1      ALA  54 -16.054   8.673   8.673
  421    H    ASN  55           HN       ASN  55 -15.985   7.911   7.911
  422    HA   ASN  55           HA       ASN  55 -14.630   7.521   7.521
  423   1HB   ASN  55           HB2      ASN  55 -15.065   9.969   9.969
  424   2HB   ASN  55           HB3      ASN  55 -13.614  10.395  10.395
  425   1HD2  ASN  55           HD2      ASN  55 -13.442   9.236   9.236
  426   2HD2  ASN  55           HD2      ASN  55 -14.875   9.665   9.665

  Start of MODEL    3
    1    H    MET   1           HN       MET   1   1.884   0.000   0.000
    2    HA   MET   1           HA       MET   1   1.931  -0.993  -0.993
    3   1HB   MET   1           HB2      MET   1   2.205   1.235   1.235
    4   2HB   MET   1           HB3      MET   1   0.570   0.767   0.767
    5   1HG   MET   1           HG2      MET   1   0.370   2.422   2.422
    6   2HG   MET   1           HG3      MET   1   2.097   2.498   2.498
    7   1HE   MET   1           HE3      MET   1   1.678   5.043   5.043
    8   2HE   MET   1           HE1      MET   1   1.301   6.076   6.076
    9   3HE   MET   1           HE2      MET   1   0.021   5.093   5.093
   10    H    GLN   2           HN       GLN   2   3.131   1.429   1.429
   11    HA   GLN   2           HA       GLN   2   5.822   0.798   0.798
   12   1HB   GLN   2           HB2      GLN   2   4.543   3.361   3.361
   13   2HB   GLN   2           HB3      GLN   2   5.815   3.254   3.254
   14   1HG   GLN   2           HG2      GLN   2   7.453   2.618   2.618
   15   2HG   GLN   2           HG3      GLN   2   6.186   2.668   2.668
   16   1HE2  GLN   2           HE2      GLN   2   7.764   6.122   6.122
   17   2HE2  GLN   2           HE2      GLN   2   7.935   4.575   4.575
   18    H    LYS   3           HN       LYS   3   4.002   2.073   2.073
   19    HA   LYS   3           HA       LYS   3   4.037   1.444   1.444
   20   1HB   LYS   3           HB2      LYS   3   4.100  -0.900  -0.900
   21   2HB   LYS   3           HB3      LYS   3   5.836  -0.876  -0.876
   22   1HG   LYS   3           HG2      LYS   3   4.080  -0.108  -0.108
   23   2HG   LYS   3           HG3      LYS   3   4.187  -1.803  -1.803
   24   1HD   LYS   3           HD2      LYS   3   6.480  -1.938  -1.938
   25   2HD   LYS   3           HD3      LYS   3   6.754  -0.230  -0.230
   26   1HE   LYS   3           HE2      LYS   3   6.680   0.006   0.006
   27   2HE   LYS   3           HE3      LYS   3   4.944  -0.179  -0.179
   28   1HZ   LYS   3           HZ1      LYS   3   6.918  -2.273  -2.273
   29   2HZ   LYS   3           HZ2      LYS   3   5.595  -1.834  -1.834
   30    H    GLY   4           HN       GLY   4   7.357   0.595   0.595
   31   1HA   GLY   4           HA1      GLY   4   8.833   1.476   1.476
   32   2HA   GLY   4           HA2      GLY   4   9.356   1.543   1.543
   33    H    ASN   5           HN       ASN   5  10.268   3.468   3.468
   34    HA   ASN   5           HA       ASN   5   9.259   5.801   5.801
   35   1HB   ASN   5           HB2      ASN   5   8.942   6.960   6.960
   36   2HB   ASN   5           HB3      ASN   5   7.657   5.900   5.900
   37   1HD2  ASN   5           HD2      ASN   5   9.499   5.265   5.265
   38   2HD2  ASN   5           HD2      ASN   5   9.569   6.709   6.709
   39    H    PHE   6           HN       PHE   6  11.116   4.471   4.471
   40    HA   PHE   6           HA       PHE   6  13.365   6.165   6.165
   41   1HB   PHE   6           HB2      PHE   6  11.892   5.780   5.780
   42   2HB   PHE   6           HB3      PHE   6  13.609   5.494   5.494
   43    HD1  PHE   6           HD1      PHE   6  11.435   7.998   7.998
   44    HD2  PHE   6           HD2      PHE   6  14.835   7.302   7.302
   45    HE1  PHE   6           HE1      PHE   6  11.829  10.472  10.472
   46    HE2  PHE   6           HE2      PHE   6  15.229   9.776   9.776
   47   1HZ   PHE   6           HZ       PHE   6  13.722  11.331  11.331
   48    H    ARG   7           HN       ARG   7  15.405   5.195   5.195
   49    HA   ARG   7           HA       ARG   7  16.036   2.866   2.866
   50   1HB   ARG   7           HB2      ARG   7  16.083   1.240   1.240
   51   2HB   ARG   7           HB3      ARG   7  14.452   1.715   1.715
   52   1HG   ARG   7           HG2      ARG   7  14.510   3.445   3.445
   53   2HG   ARG   7           HG3      ARG   7  16.104   2.875   2.875
   54   1HD   ARG   7           HD2      ARG   7  14.523   1.769   1.769
   55   2HD   ARG   7           HD3      ARG   7  15.109   0.555   0.555
   56    HE   ARG   7           HE       ARG   7  12.693   1.906   1.906
   57   1HH1  ARG   7           HH2      ARG   7  13.907  -0.755  -0.755
   58   2HH1  ARG   7           HH2      ARG   7  12.443  -1.673  -1.673
   59    HH2  ARG   7           HH1      ARG   7  10.607  -0.801  -0.801
   60    H    ASN   8           HN       ASN   8  18.146   1.834   1.834
   61    HA   ASN   8           HA       ASN   8  20.072   3.633   3.633
   62   1HB   ASN   8           HB2      ASN   8  21.305   1.961   1.961
   63   2HB   ASN   8           HB3      ASN   8  20.705   1.322   1.322
   64   1HD2  ASN   8           HD2      ASN   8  18.233  -0.771  -0.771
   65   2HD2  ASN   8           HD2      ASN   8  18.841   0.049   0.049
   66    H    GLN   9           HN       GLN   9  18.231   2.349   2.349
   67    HA   GLN   9           HA       GLN   9  17.745   3.226   3.226
   68   1HB   GLN   9           HB2      GLN   9  17.841   5.480   5.480
   69   2HB   GLN   9           HB3      GLN   9  18.972   5.906   5.906
   70   1HG   GLN   9           HG2      GLN   9  17.281   6.274   6.274
   71   2HG   GLN   9           HG3      GLN   9  16.650   4.659   4.659
   72   1HE2  GLN   9           HE2      GLN   9  15.656   7.624   7.624
   73   2HE2  GLN   9           HE2      GLN   9  14.485   7.709   7.709
   74    H    ARG  10           HN       ARG  10  19.725   1.602   1.602
   75    HA   ARG  10           HA       ARG  10  21.658   3.071   3.071
   76   1HB   ARG  10           HB2      ARG  10  22.179   1.463   1.463
   77   2HB   ARG  10           HB3      ARG  10  23.000   0.764   0.764
   78   1HG   ARG  10           HG2      ARG  10  23.837   3.173   3.173
   79   2HG   ARG  10           HG3      ARG  10  23.276   3.594   3.594
   80   1HD   ARG  10           HD2      ARG  10  25.580   3.027   3.027
   81   2HD   ARG  10           HD3      ARG  10  24.705   1.623   1.623
   82    HE   ARG  10           HE       ARG  10  25.453   0.381   0.381
   83   1HH1  ARG  10           HH2      ARG  10  26.316   3.797   3.797
   84   2HH1  ARG  10           HH2      ARG  10  27.381   3.509   3.509
   85    HH2  ARG  10           HH1      ARG  10  27.685   1.269   1.269
   86    H    LYS  11           HN       LYS  11  20.968  -0.385  -0.385
   87    HA   LYS  11           HA       LYS  11  20.808  -0.987  -0.987
   88   1HB   LYS  11           HB2      LYS  11  21.824  -2.553  -2.553
   89   2HB   LYS  11           HB3      LYS  11  21.266  -3.384  -3.384
   90   1HG   LYS  11           HG2      LYS  11  23.031  -1.113  -1.113
   91   2HG   LYS  11           HG3      LYS  11  23.820  -2.275  -2.275
   92   1HD   LYS  11           HD2      LYS  11  22.288  -3.194  -3.194
   93   2HD   LYS  11           HD3      LYS  11  23.944  -2.637  -2.637
   94   1HE   LYS  11           HE2      LYS  11  24.764  -4.382  -4.382
   95   2HE   LYS  11           HE3      LYS  11  23.153  -4.782  -4.782
   96   1HZ   LYS  11           HZ1      LYS  11  23.233  -6.332  -6.332
   97   2HZ   LYS  11           HZ2      LYS  11  22.951  -5.127  -5.127
   98    H    THR  12           HN       THR  12  19.050  -0.653  -0.653
   99    HA   THR  12           HA       THR  12  17.181  -2.578  -2.578
  100    HB   THR  12           HB       THR  12  17.161  -0.738  -0.738
  101    HG1  THR  12           HG1      THR  12  14.917  -0.379  -0.379
  102   1HG2  THR  12           HG2      THR  12  17.962   1.040   1.040
  103   2HG2  THR  12           HG2      THR  12  16.295   1.083   1.083
  104   3HG2  THR  12           HG2      THR  12  16.629   1.558   1.558
  105    H    VAL  13           HN       VAL  13  17.194   0.195   0.195
  106    HA   VAL  13           HA       VAL  13  15.651  -1.469  -1.469
  107    HB   VAL  13           HB       VAL  13  14.120   0.531   0.531
  108   1HG1  VAL  13           HG1      VAL  13  13.414  -1.604  -1.604
  109   2HG1  VAL  13           HG1      VAL  13  13.844  -0.945  -0.945
  110   3HG1  VAL  13           HG1      VAL  13  12.533  -0.200  -0.200
  111   1HG2  VAL  13           HG2      VAL  13  15.701   1.915   1.915
  112   2HG2  VAL  13           HG2      VAL  13  13.964   2.267   2.267
  113   3HG2  VAL  13           HG2      VAL  13  14.548   1.298   1.298
  114    H    LYS  14           HN       LYS  14  15.605  -0.490  -0.490
  115    HA   LYS  14           HA       LYS  14  17.738   1.477   1.477
  116   1HB   LYS  14           HB2      LYS  14  18.763   0.173   0.173
  117   2HB   LYS  14           HB3      LYS  14  18.737  -0.761  -0.761
  118   1HG   LYS  14           HG2      LYS  14  16.574  -1.854  -1.854
  119   2HG   LYS  14           HG3      LYS  14  16.834  -1.047  -1.047
  120   1HD   LYS  14           HD2      LYS  14  18.909  -2.876  -2.876
  121   2HD   LYS  14           HD3      LYS  14  17.717  -3.446  -3.446
  122   1HE   LYS  14           HE2      LYS  14  18.928  -2.663  -2.663
  123   2HE   LYS  14           HE3      LYS  14  19.025  -1.061  -1.061
  124   1HZ   LYS  14           HZ1      LYS  14  20.803  -2.215  -2.215
  125   2HZ   LYS  14           HZ2      LYS  14  20.909  -3.293  -3.293
  126    H    CYS  15           HN       CYS  15  17.447   2.856   2.856
  127    HA   CYS  15           HA       CYS  15  14.713   2.998   2.998
  128   1HB   CYS  15           HB2      CYS  15  15.880   5.024   5.024
  129   2HB   CYS  15           HB3      CYS  15  17.108   4.749   4.749
  130    H    PHE  16           HN       PHE  16  13.975   1.930   1.930
  131    HA   PHE  16           HA       PHE  16  15.932   0.836   0.836
  132   1HB   PHE  16           HB2      PHE  16  13.458   0.067   0.067
  133   2HB   PHE  16           HB3      PHE  16  12.987   0.590   0.590
  134    HD1  PHE  16           HD2      PHE  16  15.423  -1.638  -1.638
  135    HD2  PHE  16           HD1      PHE  16  13.166  -0.886  -0.886
  136    HE1  PHE  16           HE2      PHE  16  16.132  -3.858  -3.858
  137    HE2  PHE  16           HE1      PHE  16  13.875  -3.106  -3.106
  138   1HZ   PHE  16           HZ       PHE  16  15.350  -4.565  -4.565
  139    H    ASN  17           HN       ASN  17  14.750   3.841   3.841
  140    HA   ASN  17           HA       ASN  17  13.917   4.107   4.107
  141   1HB   ASN  17           HB2      ASN  17  12.677   5.258   5.258
  142   2HB   ASN  17           HB3      ASN  17  14.099   6.249   6.249
  143   1HD2  ASN  17           HD2      ASN  17  13.682   8.345   8.345
  144   2HD2  ASN  17           HD2      ASN  17  14.755   7.737   7.737
  145    H    CYS  18           HN       CYS  18  16.395   5.185   5.185
  146    HA   CYS  18           HA       CYS  18  17.918   6.356   6.356
  147   1HB   CYS  18           HB2      CYS  18  19.186   7.537   7.537
  148   2HB   CYS  18           HB3      CYS  18  17.505   8.007   8.007
  149    H    GLY  19           HN       GLY  19  17.835   4.017   4.017
  150   1HA   GLY  19           HA1      GLY  19  19.007   1.991   1.991
  151   2HA   GLY  19           HA2      GLY  19  20.224   2.723   2.723
  152    H    LYS  20           HN       LYS  20  19.212   4.793   4.793
  153    HA   LYS  20           HA       LYS  20  21.766   4.323   4.323
  154   1HB   LYS  20           HB2      LYS  20  20.179   6.615   6.615
  155   2HB   LYS  20           HB3      LYS  20  20.261   6.476   6.476
  156   1HG   LYS  20           HG2      LYS  20  22.549   6.828   6.828
  157   2HG   LYS  20           HG3      LYS  20  22.836   5.989   5.989
  158   1HD   LYS  20           HD2      LYS  20  22.573   7.891   7.891
  159   2HD   LYS  20           HD3      LYS  20  21.262   8.502   8.502
  160   1HE   LYS  20           HE2      LYS  20  23.636   8.530   8.530
  161   2HE   LYS  20           HE3      LYS  20  24.064   9.227   9.227
  162   1HZ   LYS  20           HZ1      LYS  20  23.193  11.016  11.016
  163   2HZ   LYS  20           HZ2      LYS  20  21.908  10.583  10.583
  164    H    GLU  21           HN       GLU  21  21.992   3.373   3.373
  165    HA   GLU  21           HA       GLU  21  19.657   2.137   2.137
  166   1HB   GLU  21           HB2      GLU  21  21.244   1.073   1.073
  167   2HB   GLU  21           HB3      GLU  21  21.781   0.910   0.910
  168   1HG   GLU  21           HG2      GLU  21  23.735   1.928   1.928
  169   2HG   GLU  21           HG3      GLU  21  22.863   3.383   3.383
  170    HE2  GLU  21           HE2      GLU  21  23.979   2.911   2.911
  171    H    GLY  22           HN       GLY  22  18.490   2.704   2.704
  172   1HA   GLY  22           HA1      GLY  22  18.944   3.835   3.835
  173   2HA   GLY  22           HA2      GLY  22  19.274   5.242   5.242
  174    H    HIS  23           HN       HIS  23  17.346   4.998   4.998
  175    HA   HIS  23           HA       HIS  23  14.857   5.089   5.089
  176   1HB   HIS  23           HB2      HIS  23  14.135   6.986   6.986
  177   2HB   HIS  23           HB3      HIS  23  15.743   7.338   7.338
  178    HD1  HIS  23           HD1      HIS  23  17.752   7.051   7.051
  179    HD2  HIS  23           HD2      HIS  23  13.836   7.266   7.266
  180    HE1  HIS  23           HE1      HIS  23  17.959   7.614   7.614
  181    H    ILE  24           HN       ILE  24  12.906   5.096   5.096
  182    HA   ILE  24           HA       ILE  24  13.514   2.832   2.832
  183    HB   ILE  24           HB       ILE  24  11.079   2.320   2.320
  184   1HG1  ILE  24           HG1      ILE  24  11.215   4.369   4.369
  185   2HG1  ILE  24           HG1      ILE  24  10.323   4.542   4.542
  186   1HG2  ILE  24           HG2      ILE  24  13.136   1.416   1.416
  187   2HG2  ILE  24           HG2      ILE  24  12.261   2.203   2.203
  188   3HG2  ILE  24           HG2      ILE  24  11.462   0.938   0.938
  189   1HD1  ILE  24           HD1      ILE  24   9.339   2.133   2.133
  190   2HD1  ILE  24           HD1      ILE  24   9.706   2.868   2.868
  191   3HD1  ILE  24           HD1      ILE  24   8.603   3.690   3.690
  192    H    ALA  25           HN       ALA  25  12.036   2.742   2.742
  193    HA   ALA  25           HA       ALA  25  12.430   5.040   5.040
  194   1HB   ALA  25           HB2      ALA  25  12.041   2.578   2.578
  195   2HB   ALA  25           HB3      ALA  25  10.307   2.956   2.956
  196   3HB   ALA  25           HB1      ALA  25  11.330   3.850   3.850
  197    H    LYS  26           HN       LYS  26   9.566   3.840   3.840
  198    HA   LYS  26           HA       LYS  26   7.804   5.812   5.812
  199   1HB   LYS  26           HB2      LYS  26   7.143   3.672   3.672
  200   2HB   LYS  26           HB3      LYS  26   7.759   4.251   4.251
  201   1HG   LYS  26           HG2      LYS  26   5.721   5.178   5.178
  202   2HG   LYS  26           HG3      LYS  26   6.100   6.350   6.350
  203   1HD   LYS  26           HD2      LYS  26   5.012   3.632   3.632
  204   2HD   LYS  26           HD3      LYS  26   3.912   4.861   4.861
  205   1HE   LYS  26           HE2      LYS  26   5.791   5.123   5.123
  206   2HE   LYS  26           HE3      LYS  26   4.046   4.976   4.976
  207   1HZ   LYS  26           HZ1      LYS  26   5.639   7.286   7.286
  208   2HZ   LYS  26           HZ2      LYS  26   4.340   7.257   7.257
  209    H    ASN  27           HN       ASN  27  10.548   5.936   5.936
  210    HA   ASN  27           HA       ASN  27   9.571   8.470   8.470
  211   1HB   ASN  27           HB2      ASN  27  10.916   6.246   6.246
  212   2HB   ASN  27           HB3      ASN  27  12.053   7.579   7.579
  213   1HD2  ASN  27           HD2      ASN  27   9.993   9.790   9.790
  214   2HD2  ASN  27           HD2      ASN  27  11.028   9.759   9.759
  215    H    CYS  28           HN       CYS  28  10.857   7.739   7.739
  216    HA   CYS  28           HA       CYS  28  13.493   8.850   8.850
  217   1HB   CYS  28           HB2      CYS  28  12.881   7.017   7.017
  218   2HB   CYS  28           HB3      CYS  28  11.862   8.145   8.145
  219    H    ARG  29           HN       ARG  29  13.775  11.045  11.045
  220    HA   ARG  29           HA       ARG  29  11.614  12.765  12.765
  221   1HB   ARG  29           HB2      ARG  29  13.113  14.559  14.559
  222   2HB   ARG  29           HB3      ARG  29  13.056  13.205  13.205
  223   1HG   ARG  29           HG2      ARG  29  15.168  12.659  12.659
  224   2HG   ARG  29           HG3      ARG  29  15.354  14.328  14.328
  225   1HD   ARG  29           HD2      ARG  29  14.986  12.012  12.012
  226   2HD   ARG  29           HD3      ARG  29  16.553  12.637  12.637
  227    HE   ARG  29           HE       ARG  29  14.667  14.667  14.667
  228   1HH1  ARG  29           HH2      ARG  29  17.307  12.442  12.442
  229   2HH1  ARG  29           HH2      ARG  29  17.750  13.287  13.287
  230    HH2  ARG  29           HH1      ARG  29  16.527  15.249  15.249
  231    H    ALA  30           HN       ALA  30  13.700  11.168  11.168
  232    HA   ALA  30           HA       ALA  30  13.970  13.448  13.448
  233   1HB   ALA  30           HB3      ALA  30  16.092  12.335  12.335
  234   2HB   ALA  30           HB1      ALA  30  15.832  11.088  11.088
  235   3HB   ALA  30           HB2      ALA  30  16.113  12.779  12.779
  236    HA   PRO  31           HA       PRO  31  11.339  10.293  10.293
  237   1HB   PRO  31           HB2      PRO  31   9.325  11.953  11.953
  238   2HB   PRO  31           HB3      PRO  31   9.296  11.085  11.085
  239   1HG   PRO  31           HG2      PRO  31   9.813  13.954  13.954
  240   2HG   PRO  31           HG3      PRO  31   9.363  13.158  13.158
  241   1HD   PRO  31           HD2      PRO  31  11.976  14.092  14.092
  242   2HD   PRO  31           HD3      PRO  31  11.548  13.193  13.193
  243    H    ARG  32           HN       ARG  32  13.099   9.983   9.983
  244    HA   ARG  32           HA       ARG  32  12.345  10.902  10.902
  245   1HB   ARG  32           HB2      ARG  32  14.690  11.981  11.981
  246   2HB   ARG  32           HB3      ARG  32  13.492  12.941  12.941
  247   1HG   ARG  32           HG2      ARG  32  15.114  11.233  11.233
  248   2HG   ARG  32           HG3      ARG  32  16.067  12.405  12.405
  249   1HD   ARG  32           HD2      ARG  32  13.517  13.206  13.206
  250   2HD   ARG  32           HD3      ARG  32  15.068  13.163  13.163
  251    HE   ARG  32           HE       ARG  32  14.237  15.067  15.067
  252   1HH1  ARG  32           HH2      ARG  32  16.910  13.785  13.785
  253   2HH1  ARG  32           HH2      ARG  32  17.927  15.161  15.161
  254    HH2  ARG  32           HH1      ARG  32  17.125  16.970  16.970
  255    H    LYS  33           HN       LYS  33  12.395   8.692   8.692
  256    HA   LYS  33           HA       LYS  33  14.962   7.327   7.327
  257   1HB   LYS  33           HB2      LYS  33  12.168   6.500   6.500
  258   2HB   LYS  33           HB3      LYS  33  13.084   5.465   5.465
  259   1HG   LYS  33           HG2      LYS  33  14.820   5.145   5.145
  260   2HG   LYS  33           HG3      LYS  33  13.933   6.207   6.207
  261   1HD   LYS  33           HD2      LYS  33  13.078   4.187   4.187
  262   2HD   LYS  33           HD3      LYS  33  11.921   4.504   4.504
  263   1HE   LYS  33           HE2      LYS  33  12.574   2.637   2.637
  264   2HE   LYS  33           HE3      LYS  33  14.226   3.218   3.218
  265   1HZ   LYS  33           HZ1      LYS  33  14.723   1.619   1.619
  266   2HZ   LYS  33           HZ2      LYS  33  13.824   2.365   2.365
  267    H    LYS  34           HN       LYS  34  15.919   8.619   8.619
  268    HA   LYS  34           HA       LYS  34  16.705   8.673   8.673
  269   1HB   LYS  34           HB2      LYS  34  16.148   6.133   6.133
  270   2HB   LYS  34           HB3      LYS  34  14.786   6.538   6.538
  271   1HG   LYS  34           HG2      LYS  34  17.457   7.662   7.662
  272   2HG   LYS  34           HG3      LYS  34  17.242   5.934   5.934
  273   1HD   LYS  34           HD2      LYS  34  15.006   7.683   7.683
  274   2HD   LYS  34           HD3      LYS  34  16.501   7.734   7.734
  275   1HE   LYS  34           HE2      LYS  34  15.129   5.113   5.113
  276   2HE   LYS  34           HE3      LYS  34  14.772   5.970   5.970
  277   1HZ   LYS  34           HZ1      LYS  34  17.296   4.671   4.671
  278   2HZ   LYS  34           HZ2      LYS  34  16.485   4.551   4.551
  279    H    GLY  35           HN       GLY  35  13.275   7.755   7.755
  280   1HA   GLY  35           HA1      GLY  35  12.779  10.545  10.545
  281   2HA   GLY  35           HA2      GLY  35  12.519   9.248   9.248
  282    H    CYS  36           HN       CYS  36  10.229  10.070  10.070
  283    HA   CYS  36           HA       CYS  36   8.693   9.895   9.895
  284   1HB   CYS  36           HB2      CYS  36   8.124  11.205  11.205
  285   2HB   CYS  36           HB3      CYS  36   7.759   9.704   9.704
  286    H    TRP  37           HN       TRP  37   8.262   8.023   8.023
  287    HA   TRP  37           HA       TRP  37   8.431   5.499   5.499
  288   1HB   TRP  37           HB2      TRP  37   9.078   6.390   6.390
  289   2HB   TRP  37           HB3      TRP  37   7.770   5.236   5.236
  290    HD1  TRP  37           HD1      TRP  37  11.177   4.942   4.942
  291    HE1  TRP  37           HE1      TRP  37  12.337   2.711   2.711
  292    HE3  TRP  37           HE3      TRP  37   7.460   3.524   3.524
  293    HZ2  TRP  37           HZ2      TRP  37  11.587   0.649   0.649
  294    HZ3  TRP  37           HZ3      TRP  37   7.753   1.388   1.388
  295    HH2  TRP  37           HH2      TRP  37   9.729  -0.031  -0.031
  296    H    LYS  38           HN       LYS  38   6.199   7.743   7.743
  297    HA   LYS  38           HA       LYS  38   3.968   6.012   6.012
  298   1HB   LYS  38           HB2      LYS  38   4.246   8.387   8.387
  299   2HB   LYS  38           HB3      LYS  38   3.805   8.959   8.959
  300   1HG   LYS  38           HG2      LYS  38   2.073   6.870   6.870
  301   2HG   LYS  38           HG3      LYS  38   1.934   8.543   8.543
  302   1HD   LYS  38           HD2      LYS  38   0.838   9.145   9.145
  303   2HD   LYS  38           HD3      LYS  38   1.965   8.279   8.279
  304   1HE   LYS  38           HE2      LYS  38   0.158   6.906   6.906
  305   2HE   LYS  38           HE3      LYS  38   0.675   6.149   6.149
  306   1HZ   LYS  38           HZ1      LYS  38  -1.705   7.617   7.617
  307   2HZ   LYS  38           HZ2      LYS  38  -1.319   6.726   6.726
  308    H    CYS  39           HN       CYS  39   5.340   8.022   8.022
  309    HA   CYS  39           HA       CYS  39   3.437   6.704   6.704
  310   1HB   CYS  39           HB2      CYS  39   3.963   8.517   8.517
  311   2HB   CYS  39           HB3      CYS  39   3.209   9.070   9.070
  312    H    GLY  40           HN       GLY  40   6.797   7.118   7.118
  313   1HA   GLY  40           HA1      GLY  40   8.463   5.583   5.583
  314   2HA   GLY  40           HA2      GLY  40   7.602   5.117   5.117
  315    H    LYS  41           HN       LYS  41   7.290   8.407   8.407
  316    HA   LYS  41           HA       LYS  41   9.443   8.664   8.664
  317   1HB   LYS  41           HB2      LYS  41   6.883   9.925   9.925
  318   2HB   LYS  41           HB3      LYS  41   8.137  11.136  11.136
  319   1HG   LYS  41           HG2      LYS  41   7.088  10.494  10.494
  320   2HG   LYS  41           HG3      LYS  41   8.819  10.219  10.219
  321   1HD   LYS  41           HD2      LYS  41   8.594   7.942   7.942
  322   2HD   LYS  41           HD3      LYS  41   7.248   7.889   7.889
  323   1HE   LYS  41           HE2      LYS  41   5.667   8.550   8.550
  324   2HE   LYS  41           HE3      LYS  41   6.957   8.948   8.948
  325   1HZ   LYS  41           HZ1      LYS  41   6.607   6.835   6.835
  326   2HZ   LYS  41           HZ2      LYS  41   7.509   6.374   6.374
  327    H    GLU  42           HN       GLU  42  11.104  10.314  10.314
  328    HA   GLU  42           HA       GLU  42  11.749  10.893  10.893
  329   1HB   GLU  42           HB2      GLU  42  14.037  10.766  10.766
  330   2HB   GLU  42           HB3      GLU  42  13.316   9.486   9.486
  331   1HG   GLU  42           HG2      GLU  42  13.061  11.496  11.496
  332   2HG   GLU  42           HG3      GLU  42  14.420  12.139  12.139
  333    HE2  GLU  42           HE2      GLU  42  13.930  10.697  10.697
  334    H    GLY  43           HN       GLY  43  12.943  13.017  13.017
  335   1HA   GLY  43           HA1      GLY  43  13.347  15.231  15.231
  336   2HA   GLY  43           HA2      GLY  43  12.475  15.093  15.093
  337    H    HIS  44           HN       HIS  44  10.905  13.695  13.695
  338    HA   HIS  44           HA       HIS  44   9.677  15.956  15.956
  339   1HB   HIS  44           HB2      HIS  44   7.733  16.273  16.273
  340   2HB   HIS  44           HB3      HIS  44   8.755  15.777  15.777
  341    HD1  HIS  44           HD1      HIS  44   7.821  13.954  13.954
  342    HD2  HIS  44           HD2      HIS  44   6.220  13.895  13.895
  343    HE1  HIS  44           HE1      HIS  44   6.054  12.114  12.114
  344    H    GLN  45           HN       GLN  45   7.647  15.273  15.273
  345    HA   GLN  45           HA       GLN  45   7.530  12.457  12.457
  346   1HB   GLN  45           HB2      GLN  45   8.817  14.387  14.387
  347   2HB   GLN  45           HB3      GLN  45   7.910  13.027  13.027
  348   1HG   GLN  45           HG2      GLN  45   9.483  11.876  11.876
  349   2HG   GLN  45           HG3      GLN  45  10.552  13.064  13.064
  350   1HE2  GLN  45           HE2      GLN  45  11.087   9.969   9.969
  351   2HE2  GLN  45           HE2      GLN  45  11.340  10.603  10.603
  352    H    MET  46           HN       MET  46   6.075  12.347  12.347
  353    HA   MET  46           HA       MET  46   3.585  13.068  13.068
  354   1HB   MET  46           HB2      MET  46   3.038  12.795  12.795
  355   2HB   MET  46           HB3      MET  46   3.944  11.467  11.467
  356   1HG   MET  46           HG2      MET  46   5.354  11.790  11.790
  357   2HG   MET  46           HG3      MET  46   6.016  13.084  13.084
  358   1HE   MET  46           HE1      MET  46   3.264  12.009  12.009
  359   2HE   MET  46           HE2      MET  46   4.229  12.535  12.535
  360   3HE   MET  46           HE3      MET  46   2.759  13.429  13.429
  361    H    LYS  47           HN       LYS  47   5.944  14.942  14.942
  362    HA   LYS  47           HA       LYS  47   4.452  16.907  16.907
  363   1HB   LYS  47           HB2      LYS  47   7.080  16.489  16.489
  364   2HB   LYS  47           HB3      LYS  47   6.930  17.744  17.744
  365   1HG   LYS  47           HG2      LYS  47   5.463  18.928  18.928
  366   2HG   LYS  47           HG3      LYS  47   6.434  17.899  17.899
  367   1HD   LYS  47           HD2      LYS  47   7.930  19.638  19.638
  368   2HD   LYS  47           HD3      LYS  47   8.407  18.880  18.880
  369   1HE   LYS  47           HE2      LYS  47   6.073  20.721  20.721
  370   2HE   LYS  47           HE3      LYS  47   7.568  21.504  21.504
  371   1HZ   LYS  47           HZ1      LYS  47   8.645  20.620  20.620
  372   2HZ   LYS  47           HZ2      LYS  47   7.366  19.691  19.691
  373    H    ASP  48           HN       ASP  48   5.051  16.291  16.291
  374    HA   ASP  48           HA       ASP  48   2.994  18.180  18.180
  375   1HB   ASP  48           HB2      ASP  48   5.400  19.313  19.313
  376   2HB   ASP  48           HB3      ASP  48   5.580  18.453  18.453
  377    HD1  ASP  48           HD2      ASP  48   2.860  20.352  20.352
  378    H    CYS  49           HN       CYS  49   3.156  15.315  15.315
  379    HA   CYS  49           HA       CYS  49   3.987  14.474  14.474
  380   1HB   CYS  49           HB2      CYS  49   4.033  12.879  12.879
  381   2HB   CYS  49           HB3      CYS  49   2.341  13.139  13.139
  382    H    THR  50           HN       THR  50   0.792  13.396  13.396
  383    HA   THR  50           HA       THR  50  -1.167  13.458  13.458
  384    HB   THR  50           HB       THR  50  -2.167  15.598  15.598
  385    HG1  THR  50           HG1      THR  50   0.485  16.694  16.694
  386   1HG2  THR  50           HG2      THR  50  -0.720  15.174  15.174
  387   2HG2  THR  50           HG2      THR  50   0.468  16.276  16.276
  388   3HG2  THR  50           HG2      THR  50  -1.163  16.865  16.865
  389    H    GLU  51           HN       GLU  51   1.438  13.159  13.159
  390    HA   GLU  51           HA       GLU  51   0.720  14.290  14.290
  391   1HB   GLU  51           HB2      GLU  51   3.078  13.409  13.409
  392   2HB   GLU  51           HB3      GLU  51   2.697  12.063  12.063
  393   1HG   GLU  51           HG2      GLU  51   3.341  13.252  13.252
  394   2HG   GLU  51           HG3      GLU  51   2.176  14.509  14.509
  395    HE1  GLU  51           HE2      GLU  51   4.539  16.000  16.000
  396    H    ARG  52           HN       ARG  52   1.597  11.830  11.830
  397    HA   ARG  52           HA       ARG  52  -0.857  10.307  10.307
  398   1HB   ARG  52           HB2      ARG  52  -0.558  11.867  11.867
  399   2HB   ARG  52           HB3      ARG  52   0.501  10.595  10.595
  400   1HG   ARG  52           HG2      ARG  52  -1.361   8.928   8.928
  401   2HG   ARG  52           HG3      ARG  52  -2.415  10.237  10.237
  402   1HD   ARG  52           HD2      ARG  52  -2.963  10.466  10.466
  403   2HD   ARG  52           HD3      ARG  52  -1.375  11.172  11.172
  404    HE   ARG  52           HE       ARG  52  -0.588   9.124   9.124
  405   1HH1  ARG  52           HH2      ARG  52  -3.886   8.752   8.752
  406   2HH1  ARG  52           HH2      ARG  52  -4.137   7.223   7.223
  407    HH2  ARG  52           HH1      ARG  52  -2.379   6.275   6.275
  408    H    GLN  53           HN       GLN  53  -0.707   7.985   7.985
  409    HA   GLN  53           HA       GLN  53   1.841   6.949   6.949
  410   1HB   GLN  53           HB2      GLN  53   2.113   5.551   5.551
  411   2HB   GLN  53           HB3      GLN  53   2.273   7.266   7.266
  412   1HG   GLN  53           HG2      GLN  53   0.394   7.327   7.327
  413   2HG   GLN  53           HG3      GLN  53  -0.520   6.301   6.301
  414   1HE2  GLN  53           HE2      GLN  53   0.364   3.212   3.212
  415   2HE2  GLN  53           HE2      GLN  53  -0.120   4.006   4.006
  416    H    ALA  54           HN       ALA  54   1.615   4.932   4.932
  417    HA   ALA  54           HA       ALA  54   0.611   3.167   3.167
  418   1HB   ALA  54           HB1      ALA  54  -0.087   3.132   3.132
  419   2HB   ALA  54           HB2      ALA  54  -1.633   2.891   2.891
  420   3HB   ALA  54           HB3      ALA  54  -0.269   1.790   1.790
  421    H    ASN  55           HN       ASN  55  -2.336   4.668   4.668
  422    HA   ASN  55           HA       ASN  55  -3.073   5.636   5.636
  423   1HB   ASN  55           HB2      ASN  55  -4.263   3.251   3.251
  424   2HB   ASN  55           HB3      ASN  55  -5.470   4.465   4.465
  425   1HD2  ASN  55           HD2      ASN  55  -5.494   2.540   2.540
  426   2HD2  ASN  55           HD2      ASN  55  -6.107   2.589   2.589

  Start of MODEL    4
    1    H    MET   1           HN       MET   1   1.884   0.000   0.000
    2    HA   MET   1           HA       MET   1   2.043   1.028   1.028
    3   1HB   MET   1           HB2      MET   1   3.939   0.140   0.140
    4   2HB   MET   1           HB3      MET   1   3.510  -1.492  -1.492
    5   1HG   MET   1           HG2      MET   1   4.070  -1.059  -1.059
    6   2HG   MET   1           HG3      MET   1   4.217   0.663   0.663
    7   1HE   MET   1           HE2      MET   1   6.310   1.809   1.809
    8   2HE   MET   1           HE3      MET   1   7.856   0.956   0.956
    9   3HE   MET   1           HE1      MET   1   6.605   0.879   0.879
   10    H    GLN   2           HN       GLN   2   1.519  -2.516  -2.516
   11    HA   GLN   2           HA       GLN   2  -0.355  -2.807  -2.807
   12   1HB   GLN   2           HB2      GLN   2   1.932  -2.343  -2.343
   13   2HB   GLN   2           HB3      GLN   2   2.189  -4.052  -4.052
   14   1HG   GLN   2           HG2      GLN   2   0.774  -4.574  -4.574
   15   2HG   GLN   2           HG3      GLN   2  -0.536  -3.750  -3.750
   16   1HE2  GLN   2           HE2      GLN   2   0.833  -2.319  -2.319
   17   2HE2  GLN   2           HE2      GLN   2   0.978  -3.933  -3.933
   18    H    LYS   3           HN       LYS   3  -0.520  -5.327  -5.327
   19    HA   LYS   3           HA       LYS   3  -0.574  -6.693  -6.693
   20   1HB   LYS   3           HB2      LYS   3  -1.427  -8.572  -8.572
   21   2HB   LYS   3           HB3      LYS   3  -2.282  -7.073  -7.073
   22   1HG   LYS   3           HG2      LYS   3  -1.871  -7.456  -7.456
   23   2HG   LYS   3           HG3      LYS   3  -0.227  -6.947  -6.947
   24   1HD   LYS   3           HD2      LYS   3   0.422  -9.014  -9.014
   25   2HD   LYS   3           HD3      LYS   3  -0.210  -9.616  -9.616
   26   1HE   LYS   3           HE2      LYS   3  -2.418  -9.252  -9.252
   27   2HE   LYS   3           HE3      LYS   3  -1.162 -10.181 -10.181
   28   1HZ   LYS   3           HZ1      LYS   3  -2.428 -11.761 -11.761
   29   2HZ   LYS   3           HZ2      LYS   3  -1.147 -11.554 -11.554
   30    H    GLY   4           HN       GLY   4   1.720  -6.455  -6.455
   31   1HA   GLY   4           HA1      GLY   4   3.198  -8.804  -8.804
   32   2HA   GLY   4           HA2      GLY   4   3.717  -7.430  -7.430
   33    H    ASN   5           HN       ASN   5   2.888  -8.062  -8.062
   34    HA   ASN   5           HA       ASN   5   5.397  -7.808  -7.808
   35   1HB   ASN   5           HB2      ASN   5   5.264  -5.421  -5.421
   36   2HB   ASN   5           HB3      ASN   5   5.615  -5.521  -5.521
   37   1HD2  ASN   5           HD2      ASN   5   2.820  -3.788  -3.788
   38   2HD2  ASN   5           HD2      ASN   5   4.335  -4.555  -4.555
   39    H    PHE   6           HN       PHE   6   5.292  -8.186  -8.186
   40    HA   PHE   6           HA       PHE   6   4.365  -8.782  -8.782
   41   1HB   PHE   6           HB2      PHE   6   2.518  -6.473  -6.473
   42   2HB   PHE   6           HB3      PHE   6   2.449  -7.187  -7.187
   43    HD1  PHE   6           HD1      PHE   6   4.381  -6.944  -6.944
   44    HD2  PHE   6           HD2      PHE   6   4.241  -4.930  -4.930
   45    HE1  PHE   6           HE1      PHE   6   6.186  -5.381  -5.381
   46    HE2  PHE   6           HE2      PHE   6   6.046  -3.367  -3.367
   47   1HZ   PHE   6           HZ       PHE   6   6.996  -3.611  -3.611
   48    H    ARG   7           HN       ARG   7   3.543 -10.845 -10.845
   49    HA   ARG   7           HA       ARG   7   0.763 -11.092 -11.092
   50   1HB   ARG   7           HB2      ARG   7   0.548 -12.481 -12.481
   51   2HB   ARG   7           HB3      ARG   7   1.040 -10.842 -10.842
   52   1HG   ARG   7           HG2      ARG   7   3.504 -11.895 -11.895
   53   2HG   ARG   7           HG3      ARG   7   2.657 -13.386 -13.386
   54   1HD   ARG   7           HD2      ARG   7   2.493 -10.857 -10.857
   55   2HD   ARG   7           HD3      ARG   7   3.541 -12.218 -12.218
   56    HE   ARG   7           HE       ARG   7   0.620 -12.121 -12.121
   57   1HH1  ARG   7           HH2      ARG   7   3.466 -14.218 -14.218
   58   2HH1  ARG   7           HH2      ARG   7   2.703 -15.553 -15.553
   59    HH2  ARG   7           HH1      ARG   7   0.439 -15.333 -15.333
   60    H    ASN   8           HN       ASN   8   2.277 -11.885 -11.885
   61    HA   ASN   8           HA       ASN   8   2.439 -14.757 -14.757
   62   1HB   ASN   8           HB2      ASN   8   4.582 -12.958 -12.958
   63   2HB   ASN   8           HB3      ASN   8   4.529 -14.684 -14.684
   64   1HD2  ASN   8           HD2      ASN   8   5.849 -13.107 -13.107
   65   2HD2  ASN   8           HD2      ASN   8   5.142 -12.155 -12.155
   66    H    GLN   9           HN       GLN   9   0.523 -15.033 -15.033
   67    HA   GLN   9           HA       GLN   9   0.941 -14.608 -14.608
   68   1HB   GLN   9           HB2      GLN   9  -1.209 -13.403 -13.403
   69   2HB   GLN   9           HB3      GLN   9  -0.076 -12.464 -12.464
   70   1HG   GLN   9           HG2      GLN   9  -1.228 -13.407 -13.407
   71   2HG   GLN   9           HG3      GLN   9  -2.456 -14.067 -14.067
   72   1HE2  GLN   9           HE2      GLN   9  -4.205 -11.115 -11.115
   73   2HE2  GLN   9           HE2      GLN   9  -4.032 -12.816 -12.816
   74    H    ARG  10           HN       ARG  10   0.322 -16.481 -16.481
   75    HA   ARG  10           HA       ARG  10  -1.813 -17.957 -17.957
   76   1HB   ARG  10           HB2      ARG  10  -0.694 -20.052 -20.052
   77   2HB   ARG  10           HB3      ARG  10   0.309 -19.158 -19.158
   78   1HG   ARG  10           HG2      ARG  10   1.945 -19.043 -19.043
   79   2HG   ARG  10           HG3      ARG  10   0.889 -18.097 -18.097
   80   1HD   ARG  10           HD2      ARG  10   0.115 -20.007 -20.007
   81   2HD   ARG  10           HD3      ARG  10   0.586 -21.115 -21.115
   82    HE   ARG  10           HE       ARG  10   2.828 -21.062 -21.062
   83   1HH1  ARG  10           HH2      ARG  10   0.855 -18.696 -18.696
   84   2HH1  ARG  10           HH2      ARG  10   2.049 -18.420 -18.420
   85    HH2  ARG  10           HH1      ARG  10   4.129 -19.607 -19.607
   86    H    LYS  11           HN       LYS  11  -3.423 -18.894 -18.894
   87    HA   LYS  11           HA       LYS  11  -4.042 -17.588 -17.588
   88   1HB   LYS  11           HB2      LYS  11  -5.286 -19.385 -19.385
   89   2HB   LYS  11           HB3      LYS  11  -4.891 -20.432 -20.432
   90   1HG   LYS  11           HG2      LYS  11  -6.030 -17.734 -17.734
   91   2HG   LYS  11           HG3      LYS  11  -7.126 -18.886 -18.886
   92   1HD   LYS  11           HD2      LYS  11  -5.503 -20.158 -20.158
   93   2HD   LYS  11           HD3      LYS  11  -6.374 -18.773 -18.773
   94   1HE   LYS  11           HE2      LYS  11  -8.513 -19.674 -19.674
   95   2HE   LYS  11           HE3      LYS  11  -7.693 -20.987 -20.987
   96   1HZ   LYS  11           HZ1      LYS  11  -8.546 -21.717 -21.717
   97   2HZ   LYS  11           HZ2      LYS  11  -6.919 -21.776 -21.776
   98    H    THR  12           HN       THR  12  -2.848 -17.368 -17.368
   99    HA   THR  12           HA       THR  12  -1.150 -19.612 -19.612
  100    HB   THR  12           HB       THR  12  -0.156 -17.330 -17.330
  101    HG1  THR  12           HG1      THR  12   0.794 -18.568 -18.568
  102   1HG2  THR  12           HG2      THR  12  -2.381 -16.664 -16.664
  103   2HG2  THR  12           HG2      THR  12  -0.824 -15.813 -15.813
  104   3HG2  THR  12           HG2      THR  12  -1.766 -15.701 -15.701
  105    H    VAL  13           HN       VAL  13  -1.233 -20.590 -20.590
  106    HA   VAL  13           HA       VAL  13  -3.493 -19.838 -19.838
  107    HB   VAL  13           HB       VAL  13  -4.031 -22.311 -22.311
  108   1HG1  VAL  13           HG1      VAL  13  -5.295 -20.467 -20.467
  109   2HG1  VAL  13           HG1      VAL  13  -4.623 -21.252 -21.252
  110   3HG1  VAL  13           HG1      VAL  13  -5.674 -22.172 -22.172
  111   1HG2  VAL  13           HG2      VAL  13  -1.802 -22.765 -22.765
  112   2HG2  VAL  13           HG2      VAL  13  -3.198 -23.869 -23.869
  113   3HG2  VAL  13           HG2      VAL  13  -2.971 -22.695 -22.695
  114    H    LYS  14           HN       LYS  14  -3.329 -20.898 -20.898
  115    HA   LYS  14           HA       LYS  14  -0.518 -21.507 -21.507
  116   1HB   LYS  14           HB2      LYS  14  -0.487 -20.073 -20.073
  117   2HB   LYS  14           HB3      LYS  14  -1.539 -19.185 -19.185
  118   1HG   LYS  14           HG2      LYS  14  -3.541 -20.163 -20.163
  119   2HG   LYS  14           HG3      LYS  14  -2.491 -21.057 -21.057
  120   1HD   LYS  14           HD2      LYS  14  -1.592 -18.986 -18.986
  121   2HD   LYS  14           HD3      LYS  14  -2.422 -18.015 -18.015
  122   1HE   LYS  14           HE2      LYS  14  -4.609 -19.181 -19.181
  123   2HE   LYS  14           HE3      LYS  14  -3.602 -19.536 -19.536
  124   1HZ   LYS  14           HZ1      LYS  14  -4.452 -16.908 -16.908
  125   2HZ   LYS  14           HZ2      LYS  14  -4.424 -17.455 -17.455
  126    H    CYS  15           HN       CYS  15  -0.137 -23.334 -23.334
  127    HA   CYS  15           HA       CYS  15  -2.430 -25.013 -25.013
  128   1HB   CYS  15           HB2      CYS  15  -0.437 -25.954 -25.954
  129   2HB   CYS  15           HB3      CYS  15   0.532 -25.502 -25.502
  130    H    PHE  16           HN       PHE  16  -3.565 -24.846 -24.846
  131    HA   PHE  16           HA       PHE  16  -2.277 -23.612 -23.612
  132   1HB   PHE  16           HB2      PHE  16  -4.956 -24.097 -24.097
  133   2HB   PHE  16           HB3      PHE  16  -4.924 -24.623 -24.623
  134    HD1  PHE  16           HD1      PHE  16  -3.197 -22.679 -22.679
  135    HD2  PHE  16           HD2      PHE  16  -6.098 -22.090 -22.090
  136    HE1  PHE  16           HE1      PHE  16  -3.504 -20.305 -20.305
  137    HE2  PHE  16           HE2      PHE  16  -6.405 -19.715 -19.715
  138   1HZ   PHE  16           HZ       PHE  16  -5.105 -18.851 -18.851
  139    H    ASN  17           HN       ASN  17  -2.000 -26.610 -26.610
  140    HA   ASN  17           HA       ASN  17  -2.612 -27.998 -27.998
  141   1HB   ASN  17           HB2      ASN  17  -3.193 -28.978 -28.978
  142   2HB   ASN  17           HB3      ASN  17  -1.479 -29.080 -29.080
  143   1HD2  ASN  17           HD2      ASN  17  -0.757 -31.719 -31.719
  144   2HD2  ASN  17           HD2      ASN  17  -0.125 -30.284 -30.284
  145    H    CYS  18           HN       CYS  18   0.092 -27.082 -27.082
  146    HA   CYS  18           HA       CYS  18   1.974 -28.071 -28.071
  147   1HB   CYS  18           HB2      CYS  18   3.652 -28.029 -28.029
  148   2HB   CYS  18           HB3      CYS  18   2.346 -29.169 -29.169
  149    H    GLY  19           HN       GLY  19   0.947 -25.345 -25.345
  150   1HA   GLY  19           HA1      GLY  19   1.019 -23.122 -23.122
  151   2HA   GLY  19           HA2      GLY  19   2.387 -23.507 -23.507
  152    H    LYS  20           HN       LYS  20   2.206 -24.733 -24.733
  153    HA   LYS  20           HA       LYS  20   4.316 -22.814 -22.814
  154   1HB   LYS  20           HB2      LYS  20   4.505 -25.588 -25.588
  155   2HB   LYS  20           HB3      LYS  20   4.278 -25.292 -25.292
  156   1HG   LYS  20           HG2      LYS  20   6.250 -24.036 -24.036
  157   2HG   LYS  20           HG3      LYS  20   6.225 -23.527 -23.527
  158   1HD   LYS  20           HD2      LYS  20   7.743 -25.162 -25.162
  159   2HD   LYS  20           HD3      LYS  20   6.455 -26.323 -26.323
  160   1HE   LYS  20           HE2      LYS  20   7.009 -26.158 -26.158
  161   2HE   LYS  20           HE3      LYS  20   8.471 -25.322 -25.322
  162   1HZ   LYS  20           HZ1      LYS  20   8.944 -27.660 -27.660
  163   2HZ   LYS  20           HZ2      LYS  20   8.976 -27.294 -27.294
  164    H    GLU  21           HN       GLU  21   4.149 -21.725 -21.725
  165    HA   GLU  21           HA       GLU  21   1.508 -21.746 -21.746
  166   1HB   GLU  21           HB2      GLU  21   2.286 -19.786 -19.786
  167   2HB   GLU  21           HB3      GLU  21   2.665 -19.608 -19.608
  168   1HG   GLU  21           HG2      GLU  21   4.842 -19.308 -19.308
  169   2HG   GLU  21           HG3      GLU  21   4.901 -20.960 -20.960
  170    HE2  GLU  21           HE2      GLU  21   6.324 -20.132 -20.132
  171    H    GLY  22           HN       GLY  22   0.966 -22.172 -22.172
  172   1HA   GLY  22           HA1      GLY  22   1.877 -22.696 -22.696
  173   2HA   GLY  22           HA2      GLY  22   3.015 -23.765 -23.765
  174    H    HIS  23           HN       HIS  23   0.123 -23.878 -23.878
  175    HA   HIS  23           HA       HIS  23  -1.483 -25.480 -25.480
  176   1HB   HIS  23           HB2      HIS  23  -1.038 -27.689 -27.689
  177   2HB   HIS  23           HB3      HIS  23   0.492 -27.016 -27.016
  178    HD1  HIS  23           HD1      HIS  23   2.078 -26.077 -26.077
  179    HD2  HIS  23           HD2      HIS  23  -0.977 -28.781 -28.781
  180    HE1  HIS  23           HE1      HIS  23   2.666 -27.024 -27.024
  181    H    ILE  24           HN       ILE  24  -2.948 -26.950 -26.950
  182    HA   ILE  24           HA       ILE  24  -3.440 -25.167 -25.167
  183    HB   ILE  24           HB       ILE  24  -5.850 -25.784 -25.784
  184   1HG1  ILE  24           HG1      ILE  24  -5.016 -26.643 -26.643
  185   2HG1  ILE  24           HG1      ILE  24  -5.332 -27.777 -27.777
  186   1HG2  ILE  24           HG2      ILE  24  -4.835 -23.605 -23.605
  187   2HG2  ILE  24           HG2      ILE  24  -4.633 -24.252 -24.252
  188   3HG2  ILE  24           HG2      ILE  24  -6.264 -24.067 -24.067
  189   1HD1  ILE  24           HD1      ILE  24  -7.387 -25.646 -25.646
  190   2HD1  ILE  24           HD1      ILE  24  -7.284 -27.106 -27.106
  191   3HD1  ILE  24           HD1      ILE  24  -7.624 -27.253 -27.253
  192    H    ALA  25           HN       ALA  25  -4.825 -26.367 -26.367
  193    HA   ALA  25           HA       ALA  25  -3.314 -28.515 -28.515
  194   1HB   ALA  25           HB3      ALA  25  -4.625 -27.008 -27.008
  195   2HB   ALA  25           HB1      ALA  25  -6.135 -27.626 -27.626
  196   3HB   ALA  25           HB2      ALA  25  -5.106 -28.701 -28.701
  197    H    LYS  26           HN       LYS  26  -6.313 -28.333 -28.333
  198    HA   LYS  26           HA       LYS  26  -6.904 -31.088 -31.088
  199   1HB   LYS  26           HB2      LYS  26  -8.455 -29.150 -29.150
  200   2HB   LYS  26           HB3      LYS  26  -7.744 -29.218 -29.218
  201   1HG   LYS  26           HG2      LYS  26  -8.878 -31.123 -31.123
  202   2HG   LYS  26           HG3      LYS  26  -8.509 -31.893 -31.893
  203   1HD   LYS  26           HD2      LYS  26 -10.289 -30.055 -30.055
  204   2HD   LYS  26           HD3      LYS  26 -10.866 -30.181 -30.181
  205   1HE   LYS  26           HE2      LYS  26 -12.102 -31.885 -31.885
  206   2HE   LYS  26           HE3      LYS  26 -10.728 -32.795 -32.795
  207   1HZ   LYS  26           HZ1      LYS  26 -10.009 -31.821 -31.821
  208   2HZ   LYS  26           HZ2      LYS  26 -11.515 -32.413 -32.413
  209    H    ASN  27           HN       ASN  27  -4.498 -29.252 -29.252
  210    HA   ASN  27           HA       ASN  27  -4.113 -31.494 -31.494
  211   1HB   ASN  27           HB2      ASN  27  -3.987 -28.646 -28.646
  212   2HB   ASN  27           HB3      ASN  27  -2.342 -29.230 -29.230
  213   1HD2  ASN  27           HD2      ASN  27  -5.251 -30.084 -30.084
  214   2HD2  ASN  27           HD2      ASN  27  -5.586 -29.325 -29.325
  215    H    CYS  28           HN       CYS  28  -3.327 -30.960 -30.960
  216    HA   CYS  28           HA       CYS  28  -0.473 -30.794 -30.794
  217   1HB   CYS  28           HB2      CYS  28  -1.917 -29.876 -29.876
  218   2HB   CYS  28           HB3      CYS  28  -2.197 -31.530 -31.530
  219    H    ARG  29           HN       ARG  29   0.788 -32.539 -32.539
  220    HA   ARG  29           HA       ARG  29  -0.423 -35.117 -35.117
  221   1HB   ARG  29           HB2      ARG  29   2.054 -33.848 -33.848
  222   2HB   ARG  29           HB3      ARG  29   2.243 -35.534 -35.534
  223   1HG   ARG  29           HG2      ARG  29  -0.029 -34.514 -34.514
  224   2HG   ARG  29           HG3      ARG  29   1.490 -35.109 -35.109
  225   1HD   ARG  29           HD2      ARG  29   0.036 -36.866 -36.866
  226   2HD   ARG  29           HD3      ARG  29  -0.641 -36.730 -36.730
  227    HE   ARG  29           HE       ARG  29   1.913 -38.001 -38.001
  228   1HH1  ARG  29           HH2      ARG  29  -0.064 -36.698 -36.698
  229   2HH1  ARG  29           HH2      ARG  29   0.768 -37.588 -37.588
  230    HH2  ARG  29           HH1      ARG  29   2.573 -39.039 -39.039
  231    H    ALA  30           HN       ALA  30   0.757 -33.302 -33.302
  232    HA   ALA  30           HA       ALA  30   2.062 -35.596 -35.596
  233   1HB   ALA  30           HB2      ALA  30   3.300 -33.286 -33.286
  234   2HB   ALA  30           HB3      ALA  30   2.479 -32.784 -32.784
  235   3HB   ALA  30           HB1      ALA  30   3.593 -34.172 -34.172
  236    HA   PRO  31           HA       PRO  31  -1.791 -34.852 -34.852
  237   1HB   PRO  31           HB2      PRO  31  -2.519 -37.470 -37.470
  238   2HB   PRO  31           HB3      PRO  31  -3.051 -36.469 -36.469
  239   1HG   PRO  31           HG2      PRO  31  -1.010 -38.607 -38.607
  240   2HG   PRO  31           HG3      PRO  31  -1.850 -37.902 -37.902
  241   1HD   PRO  31           HD2      PRO  31   0.848 -37.371 -37.371
  242   2HD   PRO  31           HD3      PRO  31  -0.030 -36.581 -36.581
  243    H    ARG  32           HN       ARG  32  -2.185 -34.699 -34.699
  244    HA   ARG  32           HA       ARG  32  -0.556 -36.422 -36.422
  245   1HB   ARG  32           HB2      ARG  32   0.482 -33.961 -33.961
  246   2HB   ARG  32           HB3      ARG  32  -0.506 -33.523 -33.523
  247   1HG   ARG  32           HG2      ARG  32   0.617 -35.181 -35.181
  248   2HG   ARG  32           HG3      ARG  32   1.485 -35.837 -35.837
  249   1HD   ARG  32           HD2      ARG  32   1.776 -32.944 -32.944
  250   2HD   ARG  32           HD3      ARG  32   2.836 -34.236 -34.236
  251    HE   ARG  32           HE       ARG  32   2.812 -32.961 -32.961
  252   1HH1  ARG  32           HH2      ARG  32   3.751 -35.871 -35.871
  253   2HH1  ARG  32           HH2      ARG  32   4.964 -36.335 -36.335
  254    HH2  ARG  32           HH1      ARG  32   5.336 -34.969 -34.969
  255    H    LYS  33           HN       LYS  33  -2.270 -37.361 -37.361
  256    HA   LYS  33           HA       LYS  33  -4.704 -36.212 -36.212
  257   1HB   LYS  33           HB2      LYS  33  -3.781 -38.654 -38.654
  258   2HB   LYS  33           HB3      LYS  33  -3.488 -38.158 -38.158
  259   1HG   LYS  33           HG2      LYS  33  -6.169 -37.386 -37.386
  260   2HG   LYS  33           HG3      LYS  33  -5.905 -39.117 -39.117
  261   1HD   LYS  33           HD2      LYS  33  -5.473 -37.188 -37.188
  262   2HD   LYS  33           HD3      LYS  33  -6.876 -38.218 -38.218
  263   1HE   LYS  33           HE2      LYS  33  -4.619 -39.941 -39.941
  264   2HE   LYS  33           HE3      LYS  33  -4.252 -38.892 -38.892
  265   1HZ   LYS  33           HZ1      LYS  33  -6.961 -39.800 -39.800
  266   2HZ   LYS  33           HZ2      LYS  33  -5.932 -41.062 -41.062
  267    H    LYS  34           HN       LYS  34  -2.232 -36.730 -36.730
  268    HA   LYS  34           HA       LYS  34  -1.543 -35.385 -35.385
  269   1HB   LYS  34           HB2      LYS  34  -3.154 -33.109 -33.109
  270   2HB   LYS  34           HB3      LYS  34  -1.779 -33.010 -33.010
  271   1HG   LYS  34           HG2      LYS  34  -0.873 -34.552 -34.552
  272   2HG   LYS  34           HG3      LYS  34  -1.817 -33.256 -33.256
  273   1HD   LYS  34           HD2      LYS  34  -0.023 -32.363 -32.363
  274   2HD   LYS  34           HD3      LYS  34   0.830 -33.043 -33.043
  275   1HE   LYS  34           HE2      LYS  34   0.508 -31.126 -31.126
  276   2HE   LYS  34           HE3      LYS  34  -1.228 -31.346 -31.346
  277   1HZ   LYS  34           HZ1      LYS  34   0.442 -29.580 -29.580
  278   2HZ   LYS  34           HZ2      LYS  34  -1.164 -29.500 -29.500
  279    H    GLY  35           HN       GLY  35  -3.322 -33.203 -33.203
  280   1HA   GLY  35           HA1      GLY  35  -5.319 -35.027 -35.027
  281   2HA   GLY  35           HA2      GLY  35  -4.441 -33.791 -33.791
  282    H    CYS  36           HN       CYS  36  -6.748 -33.129 -33.129
  283    HA   CYS  36           HA       CYS  36  -8.189 -31.860 -31.860
  284   1HB   CYS  36           HB2      CYS  36  -9.311 -33.163 -33.163
  285   2HB   CYS  36           HB3      CYS  36  -8.822 -31.931 -31.931
  286    H    TRP  37           HN       TRP  37  -7.604 -29.816 -29.816
  287    HA   TRP  37           HA       TRP  37  -6.090 -28.173 -28.173
  288   1HB   TRP  37           HB2      TRP  37  -5.708 -28.656 -28.656
  289   2HB   TRP  37           HB3      TRP  37  -6.760 -27.262 -27.262
  290    HD1  TRP  37           HD1      TRP  37  -3.846 -27.810 -27.810
  291    HE1  TRP  37           HE1      TRP  37  -2.121 -25.817 -25.817
  292    HE3  TRP  37           HE3      TRP  37  -6.139 -25.382 -25.382
  293    HZ2  TRP  37           HZ2      TRP  37  -1.914 -23.502 -23.502
  294    HZ3  TRP  37           HZ3      TRP  37  -5.110 -23.262 -23.262
  295    HH2  TRP  37           HH2      TRP  37  -3.071 -22.318 -22.318
  296    H    LYS  38           HN       LYS  38  -9.165 -28.920 -28.920
  297    HA   LYS  38           HA       LYS  38 -10.173 -26.169 -26.169
  298   1HB   LYS  38           HB2      LYS  38 -11.220 -28.045 -28.045
  299   2HB   LYS  38           HB3      LYS  38 -11.839 -28.687 -28.687
  300   1HG   LYS  38           HG2      LYS  38 -13.555 -27.213 -27.213
  301   2HG   LYS  38           HG3      LYS  38 -12.411 -25.896 -25.896
  302   1HD   LYS  38           HD2      LYS  38 -12.055 -25.874 -25.874
  303   2HD   LYS  38           HD3      LYS  38 -13.192 -27.196 -27.196
  304   1HE   LYS  38           HE2      LYS  38 -14.904 -25.653 -25.653
  305   2HE   LYS  38           HE3      LYS  38 -13.768 -24.354 -24.354
  306   1HZ   LYS  38           HZ1      LYS  38 -15.540 -24.760 -24.760
  307   2HZ   LYS  38           HZ2      LYS  38 -14.016 -24.625 -24.625
  308    H    CYS  39           HN       CYS  39  -9.977 -29.170 -29.170
  309    HA   CYS  39           HA       CYS  39 -10.838 -27.550 -27.550
  310   1HB   CYS  39           HB2      CYS  39 -11.258 -29.732 -29.732
  311   2HB   CYS  39           HB3      CYS  39 -12.285 -29.400 -29.400
  312    H    GLY  40           HN       GLY  40  -8.233 -29.337 -29.337
  313   1HA   GLY  40           HA1      GLY  40  -5.995 -29.070 -29.070
  314   2HA   GLY  40           HA2      GLY  40  -6.420 -28.552 -28.552
  315    H    LYS  41           HN       LYS  41  -8.375 -31.216 -31.216
  316    HA   LYS  41           HA       LYS  41  -6.662 -32.923 -32.923
  317   1HB   LYS  41           HB2      LYS  41  -9.570 -33.040 -33.040
  318   2HB   LYS  41           HB3      LYS  41  -8.766 -34.383 -34.383
  319   1HG   LYS  41           HG2      LYS  41  -8.751 -31.559 -31.559
  320   2HG   LYS  41           HG3      LYS  41  -9.992 -32.731 -32.731
  321   1HD   LYS  41           HD2      LYS  41  -7.666 -34.205 -34.205
  322   2HD   LYS  41           HD3      LYS  41  -7.165 -32.600 -32.600
  323   1HE   LYS  41           HE2      LYS  41  -8.262 -32.864 -32.864
  324   2HE   LYS  41           HE3      LYS  41  -9.780 -33.006 -33.006
  325   1HZ   LYS  41           HZ1      LYS  41  -7.951 -35.317 -35.317
  326   2HZ   LYS  41           HZ2      LYS  41  -9.137 -34.986 -34.986
  327    H    GLU  42           HN       GLU  42  -5.793 -34.889 -34.889
  328    HA   GLU  42           HA       GLU  42  -5.841 -35.185 -35.185
  329   1HB   GLU  42           HB2      GLU  42  -3.691 -36.146 -36.146
  330   2HB   GLU  42           HB3      GLU  42  -3.649 -34.887 -34.887
  331   1HG   GLU  42           HG2      GLU  42  -4.504 -36.816 -36.816
  332   2HG   GLU  42           HG3      GLU  42  -3.873 -37.883 -37.883
  333    HE2  GLU  42           HE2      GLU  42  -1.178 -37.649 -37.649
  334    H    GLY  43           HN       GLY  43  -6.219 -37.269 -37.269
  335   1HA   GLY  43           HA1      GLY  43  -6.627 -39.600 -39.600
  336   2HA   GLY  43           HA2      GLY  43  -7.259 -39.339 -39.339
  337    H    HIS  44           HN       HIS  44  -8.158 -36.903 -36.903
  338    HA   HIS  44           HA       HIS  44 -10.392 -38.221 -38.221
  339   1HB   HIS  44           HB2      HIS  44 -12.168 -37.514 -37.514
  340   2HB   HIS  44           HB3      HIS  44 -10.977 -37.861 -37.861
  341    HD1  HIS  44           HD1      HIS  44 -11.024 -36.121 -36.121
  342    HD2  HIS  44           HD2      HIS  44 -11.767 -34.498 -34.498
  343    HE1  HIS  44           HE1      HIS  44 -11.352 -33.614 -33.614
  344    H    GLN  45           HN       GLN  45 -11.795 -36.614 -36.614
  345    HA   GLN  45           HA       GLN  45 -10.254 -34.199 -34.199
  346   1HB   GLN  45           HB2      GLN  45 -11.041 -34.552 -34.552
  347   2HB   GLN  45           HB3      GLN  45  -9.694 -35.508 -35.508
  348   1HG   GLN  45           HG2      GLN  45 -11.375 -37.350 -37.350
  349   2HG   GLN  45           HG3      GLN  45 -12.602 -36.406 -36.406
  350   1HE2  GLN  45           HE2      GLN  45 -11.643 -37.183 -37.183
  351   2HE2  GLN  45           HE2      GLN  45 -12.643 -36.254 -36.254
  352    H    MET  46           HN       MET  46 -11.884 -32.916 -32.916
  353    HA   MET  46           HA       MET  46 -13.889 -31.948 -31.948
  354   1HB   MET  46           HB2      MET  46 -13.029 -30.552 -30.552
  355   2HB   MET  46           HB3      MET  46 -13.277 -31.793 -31.793
  356   1HG   MET  46           HG2      MET  46 -14.976 -29.909 -29.909
  357   2HG   MET  46           HG3      MET  46 -15.689 -31.503 -31.503
  358   1HE   MET  46           HE2      MET  46 -13.886 -28.982 -28.982
  359   2HE   MET  46           HE3      MET  46 -15.332 -27.948 -27.948
  360   3HE   MET  46           HE1      MET  46 -14.892 -28.715 -28.715
  361    H    LYS  47           HN       LYS  47 -13.903 -34.476 -34.476
  362    HA   LYS  47           HA       LYS  47 -16.694 -34.665 -34.665
  363   1HB   LYS  47           HB2      LYS  47 -14.718 -35.583 -35.583
  364   2HB   LYS  47           HB3      LYS  47 -14.857 -36.998 -36.998
  365   1HG   LYS  47           HG2      LYS  47 -16.317 -37.412 -37.412
  366   2HG   LYS  47           HG3      LYS  47 -17.372 -37.001 -37.001
  367   1HD   LYS  47           HD2      LYS  47 -16.981 -34.501 -34.501
  368   2HD   LYS  47           HD3      LYS  47 -16.731 -35.420 -35.420
  369   1HE   LYS  47           HE2      LYS  47 -18.983 -36.665 -36.665
  370   2HE   LYS  47           HE3      LYS  47 -19.227 -35.114 -35.114
  371   1HZ   LYS  47           HZ1      LYS  47 -19.379 -35.750 -35.750
  372   2HZ   LYS  47           HZ2      LYS  47 -20.003 -34.471 -34.471
  373    H    ASP  48           HN       ASP  48 -14.453 -35.587 -35.587
  374    HA   ASP  48           HA       ASP  48 -16.601 -37.151 -37.151
  375   1HB   ASP  48           HB2      ASP  48 -13.974 -37.976 -37.976
  376   2HB   ASP  48           HB3      ASP  48 -13.904 -37.599 -37.599
  377    HD2  ASP  48           HD2      ASP  48 -16.088 -39.160 -39.160
  378    H    CYS  49           HN       CYS  49 -15.591 -34.162 -34.162
  379    HA   CYS  49           HA       CYS  49 -14.766 -33.869 -33.869
  380   1HB   CYS  49           HB2      CYS  49 -13.681 -32.523 -32.523
  381   2HB   CYS  49           HB3      CYS  49 -15.217 -31.763 -31.763
  382    H    THR  50           HN       THR  50 -16.399 -33.993 -33.993
  383    HA   THR  50           HA       THR  50 -19.108 -33.365 -33.365
  384    HB   THR  50           HB       THR  50 -19.614 -34.320 -34.320
  385    HG1  THR  50           HG1      THR  50 -16.748 -33.981 -33.981
  386   1HG2  THR  50           HG2      THR  50 -18.303 -35.890 -35.890
  387   2HG2  THR  50           HG2      THR  50 -16.941 -35.661 -35.661
  388   3HG2  THR  50           HG2      THR  50 -18.455 -36.399 -36.399
  389    H    GLU  51           HN       GLU  51 -16.539 -31.397 -31.397
  390    HA   GLU  51           HA       GLU  51 -18.285 -29.421 -29.421
  391   1HB   GLU  51           HB2      GLU  51 -16.132 -28.401 -28.401
  392   2HB   GLU  51           HB3      GLU  51 -16.672 -29.895 -29.895
  393   1HG   GLU  51           HG2      GLU  51 -15.105 -31.129 -31.129
  394   2HG   GLU  51           HG3      GLU  51 -14.447 -29.560 -29.560
  395    HE2  GLU  51           HE2      GLU  51 -14.706 -31.793 -31.793
  396    H    ARG  52           HN       ARG  52 -17.078 -27.080 -27.080
  397    HA   ARG  52           HA       ARG  52 -15.824 -27.007 -27.007
  398   1HB   ARG  52           HB2      ARG  52 -18.724 -26.459 -26.459
  399   2HB   ARG  52           HB3      ARG  52 -17.862 -25.141 -25.141
  400   1HG   ARG  52           HG2      ARG  52 -17.169 -27.881 -27.881
  401   2HG   ARG  52           HG3      ARG  52 -18.797 -27.341 -27.341
  402   1HD   ARG  52           HD2      ARG  52 -16.960 -25.153 -25.153
  403   2HD   ARG  52           HD3      ARG  52 -16.361 -26.591 -26.591
  404    HE   ARG  52           HE       ARG  52 -18.270 -26.613 -26.613
  405   1HH1  ARG  52           HH2      ARG  52 -18.660 -24.192 -24.192
  406   2HH1  ARG  52           HH2      ARG  52 -20.042 -23.454 -23.454
  407    HH2  ARG  52           HH1      ARG  52 -20.868 -24.322 -24.322
  408    H    GLN  53           HN       GLN  53 -15.475 -24.533 -24.533
  409    HA   GLN  53           HA       GLN  53 -14.333 -23.330 -23.330
  410   1HB   GLN  53           HB2      GLN  53 -14.448 -22.863 -22.863
  411   2HB   GLN  53           HB3      GLN  53 -14.423 -21.367 -21.367
  412   1HG   GLN  53           HG2      GLN  53 -12.302 -21.766 -21.766
  413   2HG   GLN  53           HG3      GLN  53 -12.502 -23.507 -23.507
  414   1HE2  GLN  53           HE2      GLN  53 -10.479 -23.805 -23.805
  415   2HE2  GLN  53           HE2      GLN  53 -10.910 -24.280 -24.280
  416    H    ALA  54           HN       ALA  54 -17.030 -22.256 -22.256
  417    HA   ALA  54           HA       ALA  54 -18.903 -21.147 -21.147
  418   1HB   ALA  54           HB3      ALA  54 -18.257 -22.345 -22.345
  419   2HB   ALA  54           HB1      ALA  54 -18.798 -20.679 -20.679
  420   3HB   ALA  54           HB2      ALA  54 -19.847 -21.799 -21.799
  421    H    ASN  55           HN       ASN  55 -16.437 -20.013 -20.013
  422    HA   ASN  55           HA       ASN  55 -16.881 -17.350 -17.350
  423   1HB   ASN  55           HB2      ASN  55 -15.889 -16.559 -16.559
  424   2HB   ASN  55           HB3      ASN  55 -17.379 -17.460 -17.460
  425   1HD2  ASN  55           HD2      ASN  55 -15.908 -19.507 -19.507
  426   2HD2  ASN  55           HD2      ASN  55 -17.196 -18.459 -18.459

  Start of MODEL    5
    1    H    MET   1           HN       MET   1   1.884   0.000   0.000
    2    HA   MET   1           HA       MET   1   3.052   0.411   0.411
    3   1HB   MET   1           HB2      MET   1   2.066  -2.137  -2.137
    4   2HB   MET   1           HB3      MET   1   1.381  -1.627  -1.627
    5   1HG   MET   1           HG2      MET   1   4.345  -1.349  -1.349
    6   2HG   MET   1           HG3      MET   1   3.680  -2.722  -2.722
    7   1HE   MET   1           HE2      MET   1   5.144   0.675   0.675
    8   2HE   MET   1           HE3      MET   1   5.978  -0.627  -0.627
    9   3HE   MET   1           HE1      MET   1   5.342   0.780   0.780
   10    H    GLN   2           HN       GLN   2   1.787   2.575   2.575
   11    HA   GLN   2           HA       GLN   2  -0.010   2.572   2.572
   12   1HB   GLN   2           HB2      GLN   2   0.852   4.703   4.703
   13   2HB   GLN   2           HB3      GLN   2  -0.139   5.084   5.084
   14   1HG   GLN   2           HG2      GLN   2  -0.985   2.785   2.785
   15   2HG   GLN   2           HG3      GLN   2  -1.242   4.417   4.417
   16   1HE2  GLN   2           HE2      GLN   2  -4.374   3.754   3.754
   17   2HE2  GLN   2           HE2      GLN   2  -3.486   3.475   3.475
   18    H    LYS   3           HN       LYS   3   2.690   4.814   4.814
   19    HA   LYS   3           HA       LYS   3   3.815   4.437   4.437
   20   1HB   LYS   3           HB2      LYS   3   2.610   6.917   6.917
   21   2HB   LYS   3           HB3      LYS   3   4.175   7.113   7.113
   22   1HG   LYS   3           HG2      LYS   3   3.226   6.947   6.947
   23   2HG   LYS   3           HG3      LYS   3   2.635   5.343   5.343
   24   1HD   LYS   3           HD2      LYS   3   0.670   6.456   6.456
   25   2HD   LYS   3           HD3      LYS   3   1.226   7.989   7.989
   26   1HE   LYS   3           HE2      LYS   3   0.598   5.583   5.583
   27   2HE   LYS   3           HE3      LYS   3  -0.590   6.809   6.809
   28   1HZ   LYS   3           HZ1      LYS   3   1.905   7.172   7.172
   29   2HZ   LYS   3           HZ2      LYS   3   0.383   7.519   7.519
   30    H    GLY   4           HN       GLY   4   4.290   6.343   6.343
   31   1HA   GLY   4           HA1      GLY   4   7.141   6.004   6.004
   32   2HA   GLY   4           HA2      GLY   4   6.215   6.783   6.783
   33    H    ASN   5           HN       ASN   5   7.906   5.553   5.553
   34    HA   ASN   5           HA       ASN   5   6.775   2.937   2.937
   35   1HB   ASN   5           HB2      ASN   5   9.021   2.781   2.781
   36   2HB   ASN   5           HB3      ASN   5   9.752   3.652   3.652
   37   1HD2  ASN   5           HD2      ASN   5  10.512   0.630   0.630
   38   2HD2  ASN   5           HD2      ASN   5  11.031   2.139   2.139
   39    H    PHE   6           HN       PHE   6   7.313   2.270   2.270
   40    HA   PHE   6           HA       PHE   6   7.214   4.648   4.648
   41   1HB   PHE   6           HB2      PHE   6   5.567   2.635   2.635
   42   2HB   PHE   6           HB3      PHE   6   6.898   1.657   1.657
   43    HD1  PHE   6           HD1      PHE   6   5.598   5.057   5.057
   44    HD2  PHE   6           HD2      PHE   6   6.676   1.188   1.188
   45    HE1  PHE   6           HE1      PHE   6   5.064   5.742   5.742
   46    HE2  PHE   6           HE2      PHE   6   6.141   1.872   1.872
   47   1HZ   PHE   6           HZ       PHE   6   5.342   4.141   4.141
   48    H    ARG   7           HN       ARG   7   8.316   4.328   4.328
   49    HA   ARG   7           HA       ARG   7  10.285   4.510   4.510
   50   1HB   ARG   7           HB2      ARG   7  11.494   2.078   2.078
   51   2HB   ARG   7           HB3      ARG   7  10.065   2.391   2.391
   52   1HG   ARG   7           HG2      ARG   7   8.646   1.627   1.627
   53   2HG   ARG   7           HG3      ARG   7  10.123   1.179   1.179
   54   1HD   ARG   7           HD2      ARG   7  10.606  -0.581  -0.581
   55   2HD   ARG   7           HD3      ARG   7   9.635   0.114   0.114
   56    HE   ARG   7           HE       ARG   7   7.678  -0.803  -0.803
   57   1HH1  ARG   7           HH2      ARG   7  10.465  -1.284  -1.284
   58   2HH1  ARG   7           HH2      ARG   7   9.644  -2.414  -2.414
   59    HH2  ARG   7           HH1      ARG   7   7.368  -2.993  -2.993
   60    H    ASN   8           HN       ASN   8  11.163   5.984   5.984
   61    HA   ASN   8           HA       ASN   8  13.460   4.726   4.726
   62   1HB   ASN   8           HB2      ASN   8  12.990   6.257   6.257
   63   2HB   ASN   8           HB3      ASN   8  12.032   4.798   4.798
   64   1HD2  ASN   8           HD2      ASN   8  10.226   8.304   8.304
   65   2HD2  ASN   8           HD2      ASN   8  11.845   7.891   7.891
   66    H    GLN   9           HN       GLN   9  11.563   7.778   7.778
   67    HA   GLN   9           HA       GLN   9  12.127   9.774   9.774
   68   1HB   GLN   9           HB2      GLN   9  13.411   8.154   8.154
   69   2HB   GLN   9           HB3      GLN   9  14.803   8.992   8.992
   70   1HG   GLN   9           HG2      GLN   9  14.045  10.278  10.278
   71   2HG   GLN   9           HG3      GLN   9  13.624  11.195  11.195
   72   1HE2  GLN   9           HE2      GLN   9  10.727   9.339   9.339
   73   2HE2  GLN   9           HE2      GLN   9  12.388   8.846   8.846
   74    H    ARG  10           HN       ARG  10  13.641  11.664  11.664
   75    HA   ARG  10           HA       ARG  10  14.473  11.663  11.663
   76   1HB   ARG  10           HB2      ARG  10  14.905  13.434  13.434
   77   2HB   ARG  10           HB3      ARG  10  15.972  13.704  13.704
   78   1HG   ARG  10           HG2      ARG  10  14.328  14.842  14.842
   79   2HG   ARG  10           HG3      ARG  10  13.338  13.396  13.396
   80   1HD   ARG  10           HD2      ARG  10  11.949  14.842  14.842
   81   2HD   ARG  10           HD3      ARG  10  12.802  14.056  14.056
   82    HE   ARG  10           HE       ARG  10  14.397  16.261  16.261
   83   1HH1  ARG  10           HH2      ARG  10  11.066  15.781  15.781
   84   2HH1  ARG  10           HH2      ARG  10  10.981  17.315  17.315
   85    HH2  ARG  10           HH1      ARG  10  12.884  18.770  18.770
   86    H    LYS  11           HN       LYS  11  16.085  10.376  10.376
   87    HA   LYS  11           HA       LYS  11  18.081   9.151   9.151
   88   1HB   LYS  11           HB2      LYS  11  17.205   9.241   9.241
   89   2HB   LYS  11           HB3      LYS  11  18.867   9.789   9.789
   90   1HG   LYS  11           HG2      LYS  11  19.498   7.770   7.770
   91   2HG   LYS  11           HG3      LYS  11  17.858   7.192   7.192
   92   1HD   LYS  11           HD2      LYS  11  19.650   7.897   7.897
   93   2HD   LYS  11           HD3      LYS  11  19.656   6.300   6.300
   94   1HE   LYS  11           HE2      LYS  11  18.037   5.979   5.979
   95   2HE   LYS  11           HE3      LYS  11  17.008   6.477   6.477
   96   1HZ   LYS  11           HZ1      LYS  11  18.087   8.628   8.628
   97   2HZ   LYS  11           HZ2      LYS  11  16.963   7.689   7.689
   98    H    THR  12           HN       THR  12  20.518   9.528   9.528
   99    HA   THR  12           HA       THR  12  21.025  12.408  12.408
  100    HB   THR  12           HB       THR  12  22.262   9.905   9.905
  101    HG1  THR  12           HG1      THR  12  21.447  11.286  11.286
  102   1HG2  THR  12           HG2      THR  12  23.892  11.916  11.916
  103   2HG2  THR  12           HG2      THR  12  22.947  12.783  12.783
  104   3HG2  THR  12           HG2      THR  12  23.824  11.295  11.295
  105    H    VAL  13           HN       VAL  13  21.642  13.147  13.147
  106    HA   VAL  13           HA       VAL  13  23.967  11.771  11.771
  107    HB   VAL  13           HB       VAL  13  23.040  12.508  12.508
  108   1HG1  VAL  13           HG1      VAL  13  22.344  10.235  10.235
  109   2HG1  VAL  13           HG1      VAL  13  21.045  10.596  10.596
  110   3HG1  VAL  13           HG1      VAL  13  22.702  10.302  10.302
  111   1HG2  VAL  13           HG2      VAL  13  20.612  13.013  13.013
  112   2HG2  VAL  13           HG2      VAL  13  21.379  14.093  14.093
  113   3HG2  VAL  13           HG2      VAL  13  20.480  12.659  12.659
  114    H    LYS  14           HN       LYS  14  25.425  13.215  13.215
  115    HA   LYS  14           HA       LYS  14  25.088  16.015  16.015
  116   1HB   LYS  14           HB2      LYS  14  27.557  16.103  16.103
  117   2HB   LYS  14           HB3      LYS  14  26.748  15.071  15.071
  118   1HG   LYS  14           HG2      LYS  14  27.970  13.285  13.285
  119   2HG   LYS  14           HG3      LYS  14  27.392  13.468  13.468
  120   1HD   LYS  14           HD2      LYS  14  29.310  14.514  14.514
  121   2HD   LYS  14           HD3      LYS  14  29.430  15.487  15.487
  122   1HE   LYS  14           HE2      LYS  14  30.186  13.347  13.347
  123   2HE   LYS  14           HE3      LYS  14  30.303  12.584  12.584
  124   1HZ   LYS  14           HZ1      LYS  14  32.436  13.499  13.499
  125   2HZ   LYS  14           HZ2      LYS  14  31.832  14.454  14.454
  126    H    CYS  15           HN       CYS  15  25.104  17.451  17.451
  127    HA   CYS  15           HA       CYS  15  25.481  16.422  16.422
  128   1HB   CYS  15           HB2      CYS  15  23.695  18.007  18.007
  129   2HB   CYS  15           HB3      CYS  15  24.866  19.215  19.215
  130    H    PHE  16           HN       PHE  16  27.543  16.149  16.149
  131    HA   PHE  16           HA       PHE  16  29.701  17.679  17.679
  132   1HB   PHE  16           HB2      PHE  16  29.224  15.183  15.183
  133   2HB   PHE  16           HB3      PHE  16  30.235  16.108  16.108
  134    HD1  PHE  16           HD1      PHE  16  32.090  17.519  17.519
  135    HD2  PHE  16           HD2      PHE  16  30.499  13.623  13.623
  136    HE1  PHE  16           HE1      PHE  16  34.118  16.878  16.878
  137    HE2  PHE  16           HE2      PHE  16  32.526  12.982  12.982
  138   1HZ   PHE  16           HZ       PHE  16  34.312  14.617  14.617
  139    H    ASN  17           HN       ASN  17  27.362  18.639  18.639
  140    HA   ASN  17           HA       ASN  17  29.130  19.752  19.752
  141   1HB   ASN  17           HB2      ASN  17  26.757  18.680  18.680
  142   2HB   ASN  17           HB3      ASN  17  26.118  20.192  20.192
  143   1HD2  ASN  17           HD2      ASN  17  27.072  22.207  22.207
  144   2HD2  ASN  17           HD2      ASN  17  26.659  22.162  22.162
  145    H    CYS  18           HN       CYS  18  26.441  20.777  20.777
  146    HA   CYS  18           HA       CYS  18  27.429  23.500  23.500
  147   1HB   CYS  18           HB2      CYS  18  25.382  24.036  24.036
  148   2HB   CYS  18           HB3      CYS  18  25.081  23.309  23.309
  149    H    GLY  19           HN       GLY  19  27.163  20.638  20.638
  150   1HA   GLY  19           HA1      GLY  19  28.638  20.210  20.210
  151   2HA   GLY  19           HA2      GLY  19  28.982  21.921  21.921
  152    H    LYS  20           HN       LYS  20  25.628  20.822  20.822
  153    HA   LYS  20           HA       LYS  20  25.209  21.451  21.451
  154   1HB   LYS  20           HB2      LYS  20  24.067  22.607  22.607
  155   2HB   LYS  20           HB3      LYS  20  22.800  21.727  21.727
  156   1HG   LYS  20           HG2      LYS  20  22.951  23.040  23.040
  157   2HG   LYS  20           HG3      LYS  20  24.640  23.428  23.428
  158   1HD   LYS  20           HD2      LYS  20  23.507  25.460  25.460
  159   2HD   LYS  20           HD3      LYS  20  23.859  24.785  24.785
  160   1HE   LYS  20           HE2      LYS  20  21.617  24.145  24.145
  161   2HE   LYS  20           HE3      LYS  20  21.231  24.080  24.080
  162   1HZ   LYS  20           HZ1      LYS  20  21.065  26.316  26.316
  163   2HZ   LYS  20           HZ2      LYS  20  20.425  26.149  26.149
  164    H    GLU  21           HN       GLU  21  24.115  19.977  19.977
  165    HA   GLU  21           HA       GLU  21  23.829  17.393  17.393
  166   1HB   GLU  21           HB2      GLU  21  23.675  16.593  16.593
  167   2HB   GLU  21           HB3      GLU  21  24.718  17.992  17.992
  168   1HG   GLU  21           HG2      GLU  21  21.702  18.007  18.007
  169   2HG   GLU  21           HG3      GLU  21  22.918  17.911  17.911
  170    HE2  GLU  21           HE2      GLU  21  21.499  20.938  20.938
  171    H    GLY  22           HN       GLY  22  21.857  16.128  16.128
  172   1HA   GLY  22           HA1      GLY  22  19.467  16.122  16.122
  173   2HA   GLY  22           HA2      GLY  22  19.410  17.793  17.793
  174    H    HIS  23           HN       HIS  23  21.639  16.469  16.469
  175    HA   HIS  23           HA       HIS  23  19.975  14.953  14.953
  176   1HB   HIS  23           HB2      HIS  23  19.627  16.472  16.472
  177   2HB   HIS  23           HB3      HIS  23  18.998  17.221  17.221
  178    HD1  HIS  23           HD1      HIS  23  20.009  19.453  19.453
  179    HD2  HIS  23           HD2      HIS  23  22.100  17.638  17.638
  180    HE1  HIS  23           HE1      HIS  23  21.673  21.191  21.191
  181    H    ILE  24           HN       ILE  24  21.169  14.264  14.264
  182    HA   ILE  24           HA       ILE  24  24.020  14.279  14.279
  183    HB   ILE  24           HB       ILE  24  23.962  12.511  12.511
  184   1HG1  ILE  24           HG1      ILE  24  21.020  12.408  12.408
  185   2HG1  ILE  24           HG1      ILE  24  21.622  13.235  13.235
  186   1HG2  ILE  24           HG2      ILE  24  23.932  12.339  12.339
  187   2HG2  ILE  24           HG2      ILE  24  22.382  11.536  11.536
  188   3HG2  ILE  24           HG2      ILE  24  23.888  10.913  10.913
  189   1HD1  ILE  24           HD1      ILE  24  22.137  10.299  10.299
  190   2HD1  ILE  24           HD1      ILE  24  20.950  10.898  10.898
  191   3HD1  ILE  24           HD1      ILE  24  22.690  11.147  11.147
  192    H    ALA  25           HN       ALA  25  25.570  14.543  14.543
  193    HA   ALA  25           HA       ALA  25  25.109  16.983  16.983
  194   1HB   ALA  25           HB2      ALA  25  27.261  15.316  15.316
  195   2HB   ALA  25           HB3      ALA  25  27.122  15.229  15.229
  196   3HB   ALA  25           HB1      ALA  25  27.320  16.806  16.806
  197    H    LYS  26           HN       LYS  26  24.712  13.564  13.564
  198    HA   LYS  26           HA       LYS  26  24.262  14.164  14.164
  199   1HB   LYS  26           HB2      LYS  26  24.945  11.944  11.944
  200   2HB   LYS  26           HB3      LYS  26  23.289  11.747  11.747
  201   1HG   LYS  26           HG2      LYS  26  22.976  12.477  12.477
  202   2HG   LYS  26           HG3      LYS  26  24.429  11.498  11.498
  203   1HD   LYS  26           HD2      LYS  26  23.081   9.671   9.671
  204   2HD   LYS  26           HD3      LYS  26  22.728  10.044  10.044
  205   1HE   LYS  26           HE2      LYS  26  20.578   9.939   9.939
  206   2HE   LYS  26           HE3      LYS  26  20.900  11.660  11.660
  207   1HZ   LYS  26           HZ1      LYS  26  20.119  10.600  10.600
  208   2HZ   LYS  26           HZ2      LYS  26  21.289  11.730  11.730
  209    H    ASN  27           HN       ASN  27  22.388  14.625  14.625
  210    HA   ASN  27           HA       ASN  27  20.029  14.977  14.977
  211   1HB   ASN  27           HB2      ASN  27  19.983  13.217  13.217
  212   2HB   ASN  27           HB3      ASN  27  20.020  14.579  14.579
  213   1HD2  ASN  27           HD2      ASN  27  18.255  15.821  15.821
  214   2HD2  ASN  27           HD2      ASN  27  16.692  15.518  15.518
  215    H    CYS  28           HN       CYS  28  22.407  16.805  16.805
  216    HA   CYS  28           HA       CYS  28  21.577  18.649  18.649
  217   1HB   CYS  28           HB2      CYS  28  23.893  18.541  18.541
  218   2HB   CYS  28           HB3      CYS  28  23.517  18.888  18.888
  219    H    ARG  29           HN       ARG  29  19.637  19.740  19.740
  220    HA   ARG  29           HA       ARG  29  18.685  20.391  20.391
  221   1HB   ARG  29           HB2      ARG  29  16.572  20.963  20.963
  222   2HB   ARG  29           HB3      ARG  29  17.132  19.400  19.400
  223   1HG   ARG  29           HG2      ARG  29  18.369  20.976  20.976
  224   2HG   ARG  29           HG3      ARG  29  17.010  22.017  22.017
  225   1HD   ARG  29           HD2      ARG  29  16.684  19.069  19.069
  226   2HD   ARG  29           HD3      ARG  29  16.631  20.354  20.354
  227    HE   ARG  29           HE       ARG  29  14.790  21.257  21.257
  228   1HH1  ARG  29           HH2      ARG  29  15.237  18.033  18.033
  229   2HH1  ARG  29           HH2      ARG  29  13.558  17.620  17.620
  230    HH2  ARG  29           HH1      ARG  29  12.011  19.211  19.211
  231    H    ALA  30           HN       ALA  30  21.003  21.748  21.748
  232    HA   ALA  30           HA       ALA  30  19.945  24.485  24.485
  233   1HB   ALA  30           HB2      ALA  30  21.688  23.099  23.099
  234   2HB   ALA  30           HB3      ALA  30  22.102  24.781  24.781
  235   3HB   ALA  30           HB1      ALA  30  20.488  24.392  24.392
  236    HA   PRO  31           HA       PRO  31  22.994  24.185  24.185
  237   1HB   PRO  31           HB2      PRO  31  21.732  25.844  25.844
  238   2HB   PRO  31           HB3      PRO  31  21.487  24.109  24.109
  239   1HG   PRO  31           HG2      PRO  31  19.691  26.250  26.250
  240   2HG   PRO  31           HG3      PRO  31  19.309  24.581  24.581
  241   1HD   PRO  31           HD2      PRO  31  19.633  25.727  25.727
  242   2HD   PRO  31           HD3      PRO  31  19.365  24.037  24.037
  243    H    ARG  32           HN       ARG  32  24.026  25.317  25.317
  244    HA   ARG  32           HA       ARG  32  25.092  27.681  27.681
  245   1HB   ARG  32           HB2      ARG  32  22.825  28.187  28.187
  246   2HB   ARG  32           HB3      ARG  32  23.966  28.172  28.172
  247   1HG   ARG  32           HG2      ARG  32  24.053  30.424  30.424
  248   2HG   ARG  32           HG3      ARG  32  25.406  29.767  29.767
  249   1HD   ARG  32           HD2      ARG  32  22.760  29.627  29.627
  250   2HD   ARG  32           HD3      ARG  32  23.389  31.243  31.243
  251    HE   ARG  32           HE       ARG  32  25.472  29.518  29.518
  252   1HH1  ARG  32           HH2      ARG  32  22.571  31.269  31.269
  253   2HH1  ARG  32           HH2      ARG  32  23.100  31.424  31.424
  254    HH2  ARG  32           HH1      ARG  32  25.219  30.508  30.508
  255    H    LYS  33           HN       LYS  33  27.120  26.615  26.615
  256    HA   LYS  33           HA       LYS  33  27.893  25.246  25.246
  257   1HB   LYS  33           HB2      LYS  33  30.201  25.492  25.492
  258   2HB   LYS  33           HB3      LYS  33  28.994  24.712  24.712
  259   1HG   LYS  33           HG2      LYS  33  28.777  26.574  26.574
  260   2HG   LYS  33           HG3      LYS  33  29.354  27.707  27.707
  261   1HD   LYS  33           HD2      LYS  33  31.643  26.527  26.527
  262   2HD   LYS  33           HD3      LYS  33  31.011  25.681  25.681
  263   1HE   LYS  33           HE2      LYS  33  30.925  27.618  27.618
  264   2HE   LYS  33           HE3      LYS  33  30.710  28.680  28.680
  265   1HZ   LYS  33           HZ1      LYS  33  33.239  27.331  27.331
  266   2HZ   LYS  33           HZ2      LYS  33  32.942  28.931  28.931
  267    H    LYS  34           HN       LYS  34  27.732  28.657  28.657
  268    HA   LYS  34           HA       LYS  34  28.552  29.299  29.299
  269   1HB   LYS  34           HB2      LYS  34  30.365  29.665  29.665
  270   2HB   LYS  34           HB3      LYS  34  30.113  31.118  31.118
  271   1HG   LYS  34           HG2      LYS  34  30.447  28.822  28.822
  272   2HG   LYS  34           HG3      LYS  34  31.785  28.904  28.904
  273   1HD   LYS  34           HD2      LYS  34  30.873  31.429  31.429
  274   2HD   LYS  34           HD3      LYS  34  31.871  30.277  30.277
  275   1HE   LYS  34           HE2      LYS  34  33.664  30.464  30.464
  276   2HE   LYS  34           HE3      LYS  34  32.645  31.356  31.356
  277   1HZ   LYS  34           HZ1      LYS  34  32.504  32.924  32.924
  278   2HZ   LYS  34           HZ2      LYS  34  33.999  32.318  32.318
  279    H    GLY  35           HN       GLY  35  27.278  30.924  30.924
  280   1HA   GLY  35           HA1      GLY  35  26.561  33.244  33.244
  281   2HA   GLY  35           HA2      GLY  35  25.403  32.123  32.123
  282    H    CYS  36           HN       CYS  36  25.708  34.342  34.342
  283    HA   CYS  36           HA       CYS  36  24.772  32.953  32.953
  284   1HB   CYS  36           HB2      CYS  36  25.923  35.167  35.167
  285   2HB   CYS  36           HB3      CYS  36  24.471  35.891  35.891
  286    H    TRP  37           HN       TRP  37  22.794  31.952  31.952
  287    HA   TRP  37           HA       TRP  37  20.675  32.852  32.852
  288   1HB   TRP  37           HB2      TRP  37  21.517  30.356  30.356
  289   2HB   TRP  37           HB3      TRP  37  19.915  30.674  30.674
  290    HD1  TRP  37           HD1      TRP  37  20.867  28.561  28.561
  291    HE1  TRP  37           HE1      TRP  37  19.455  28.507  28.507
  292    HE3  TRP  37           HE3      TRP  37  18.693  33.112  33.112
  293    HZ2  TRP  37           HZ2      TRP  37  17.628  30.333  30.333
  294    HZ3  TRP  37           HZ3      TRP  37  17.108  33.902  33.902
  295    HH2  TRP  37           HH2      TRP  37  16.564  32.593  32.593
  296    H    LYS  38           HN       LYS  38  21.855  34.192  34.192
  297    HA   LYS  38           HA       LYS  38  19.323  34.315  34.315
  298   1HB   LYS  38           HB2      LYS  38  21.536  33.627  33.627
  299   2HB   LYS  38           HB3      LYS  38  22.001  35.309  35.309
  300   1HG   LYS  38           HG2      LYS  38  19.275  35.100  35.100
  301   2HG   LYS  38           HG3      LYS  38  20.374  34.151  34.151
  302   1HD   LYS  38           HD2      LYS  38  21.418  36.836  36.836
  303   2HD   LYS  38           HD3      LYS  38  19.993  36.879  36.879
  304   1HE   LYS  38           HE2      LYS  38  21.617  36.735  36.735
  305   2HE   LYS  38           HE3      LYS  38  21.337  35.024  35.024
  306   1HZ   LYS  38           HZ1      LYS  38  23.387  34.785  34.785
  307   2HZ   LYS  38           HZ2      LYS  38  23.299  36.139  36.139
  308    H    CYS  39           HN       CYS  39  21.931  36.271  36.271
  309    HA   CYS  39           HA       CYS  39  20.126  38.566  38.566
  310   1HB   CYS  39           HB2      CYS  39  22.131  39.938  39.938
  311   2HB   CYS  39           HB3      CYS  39  22.205  39.043  39.043
  312    H    GLY  40           HN       GLY  40  21.762  36.227  36.227
  313   1HA   GLY  40           HA1      GLY  40  21.139  35.743  35.743
  314   2HA   GLY  40           HA2      GLY  40  20.371  37.311  37.311
  315    H    LYS  41           HN       LYS  41  23.558  37.285  37.285
  316    HA   LYS  41           HA       LYS  41  24.586  38.632  38.632
  317   1HB   LYS  41           HB2      LYS  41  24.746  39.304  39.304
  318   2HB   LYS  41           HB3      LYS  41  26.201  38.334  38.334
  319   1HG   LYS  41           HG2      LYS  41  25.918  40.139  40.139
  320   2HG   LYS  41           HG3      LYS  41  25.927  41.019  41.019
  321   1HD   LYS  41           HD2      LYS  41  28.116  40.446  40.446
  322   2HD   LYS  41           HD3      LYS  41  27.977  38.853  38.853
  323   1HE   LYS  41           HE2      LYS  41  27.690  40.525  40.525
  324   2HE   LYS  41           HE3      LYS  41  28.846  41.405  41.405
  325   1HZ   LYS  41           HZ1      LYS  41  30.233  39.958  39.958
  326   2HZ   LYS  41           HZ2      LYS  41  29.925  39.020  39.020
  327    H    GLU  42           HN       GLU  42  25.789  37.604  37.604
  328    HA   GLU  42           HA       GLU  42  26.604  34.920  34.920
  329   1HB   GLU  42           HB2      GLU  42  27.137  34.792  34.792
  330   2HB   GLU  42           HB3      GLU  42  25.525  35.435  35.435
  331   1HG   GLU  42           HG2      GLU  42  27.226  37.707  37.707
  332   2HG   GLU  42           HG3      GLU  42  27.851  36.701  36.701
  333    HE1  GLU  42           HE2      GLU  42  24.612  37.240  37.240
  334    H    GLY  43           HN       GLY  43  28.393  34.949  34.949
  335   1HA   GLY  43           HA1      GLY  43  30.924  35.172  35.172
  336   2HA   GLY  43           HA2      GLY  43  30.558  36.803  36.803
  337    H    HIS  44           HN       HIS  44  29.180  36.705  36.705
  338    HA   HIS  44           HA       HIS  44  31.013  35.312  35.312
  339   1HB   HIS  44           HB2      HIS  44  30.391  36.838  36.838
  340   2HB   HIS  44           HB3      HIS  44  30.476  37.787  37.787
  341    HD1  HIS  44           HD1      HIS  44  28.408  39.087  39.087
  342    HD2  HIS  44           HD2      HIS  44  27.633  36.199  36.199
  343    HE1  HIS  44           HE1      HIS  44  26.006  39.476  39.476
  344    H    GLN  45           HN       GLN  45  29.972  34.368  34.368
  345    HA   GLN  45           HA       GLN  45  27.524  32.995  32.995
  346   1HB   GLN  45           HB2      GLN  45  29.699  31.805  31.805
  347   2HB   GLN  45           HB3      GLN  45  28.319  30.974  30.974
  348   1HG   GLN  45           HG2      GLN  45  30.331  32.349  32.349
  349   2HG   GLN  45           HG3      GLN  45  30.671  30.753  30.753
  350   1HE2  GLN  45           HE2      GLN  45  28.275  29.002  29.002
  351   2HE2  GLN  45           HE2      GLN  45  29.275  29.011  29.011
  352    H    MET  46           HN       MET  46  26.461  31.941  31.941
  353    HA   MET  46           HA       MET  46  25.667  34.070  34.070
  354   1HB   MET  46           HB2      MET  46  24.333  31.998  31.998
  355   2HB   MET  46           HB3      MET  46  25.556  31.042  31.042
  356   1HG   MET  46           HG2      MET  46  25.050  32.914  32.914
  357   2HG   MET  46           HG3      MET  46  23.483  32.862  32.862
  358   1HE   MET  46           HE2      MET  46  22.488  32.315  32.315
  359   2HE   MET  46           HE3      MET  46  21.693  30.811  30.811
  360   3HE   MET  46           HE1      MET  46  22.625  30.845  30.845
  361    H    LYS  47           HN       LYS  47  28.152  31.525  31.525
  362    HA   LYS  47           HA       LYS  47  28.623  32.192  32.192
  363   1HB   LYS  47           HB2      LYS  47  29.215  30.051  30.051
  364   2HB   LYS  47           HB3      LYS  47  30.634  30.925  30.925
  365   1HG   LYS  47           HG2      LYS  47  29.997  30.917  30.917
  366   2HG   LYS  47           HG3      LYS  47  30.676  29.465  29.465
  367   1HD   LYS  47           HD2      LYS  47  32.307  31.441  31.441
  368   2HD   LYS  47           HD3      LYS  47  31.958  32.096  32.096
  369   1HE   LYS  47           HE2      LYS  47  33.857  30.770  30.770
  370   2HE   LYS  47           HE3      LYS  47  32.554  29.692  29.692
  371   1HZ   LYS  47           HZ1      LYS  47  33.366  29.574  29.574
  372   2HZ   LYS  47           HZ2      LYS  47  34.443  28.986  28.986
  373    H    ASP  48           HN       ASP  48  29.379  33.753  33.753
  374    HA   ASP  48           HA       ASP  48  31.296  35.413  35.413
  375   1HB   ASP  48           HB2      ASP  48  31.641  34.003  34.003
  376   2HB   ASP  48           HB3      ASP  48  31.327  35.644  35.644
  377    HD1  ASP  48           HD2      ASP  48  33.716  37.145  37.145
  378    H    CYS  49           HN       CYS  49  28.194  35.406  35.406
  379    HA   CYS  49           HA       CYS  49  27.845  37.773  37.773
  380   1HB   CYS  49           HB2      CYS  49  26.234  35.904  35.904
  381   2HB   CYS  49           HB3      CYS  49  25.804  36.107  36.107
  382    H    THR  50           HN       THR  50  28.353  39.707  39.707
  383    HA   THR  50           HA       THR  50  28.239  39.929  39.929
  384    HB   THR  50           HB       THR  50  30.090  40.887  40.887
  385    HG1  THR  50           HG1      THR  50  30.085  42.547  42.547
  386   1HG2  THR  50           HG2      THR  50  28.641  41.657  41.657
  387   2HG2  THR  50           HG2      THR  50  27.916  42.871  42.871
  388   3HG2  THR  50           HG2      THR  50  29.646  42.962  42.962
  389    H    GLU  51           HN       GLU  51  25.855  39.861  39.861
  390    HA   GLU  51           HA       GLU  51  23.787  40.523  40.523
  391   1HB   GLU  51           HB2      GLU  51  24.308  40.284  40.284
  392   2HB   GLU  51           HB3      GLU  51  23.834  41.970  41.970
  393   1HG   GLU  51           HG2      GLU  51  21.772  40.871  40.871
  394   2HG   GLU  51           HG3      GLU  51  21.784  41.148  41.148
  395    HE2  GLU  51           HE2      GLU  51  21.543  38.808  38.808
  396    H    ARG  52           HN       ARG  52  22.312  42.554  42.554
  397    HA   ARG  52           HA       ARG  52  21.934  44.570  44.570
  398   1HB   ARG  52           HB2      ARG  52  24.480  45.112  45.112
  399   2HB   ARG  52           HB3      ARG  52  23.676  46.415  46.415
  400   1HG   ARG  52           HG2      ARG  52  22.217  44.597  44.597
  401   2HG   ARG  52           HG3      ARG  52  23.004  46.083  46.083
  402   1HD   ARG  52           HD2      ARG  52  21.493  47.450  47.450
  403   2HD   ARG  52           HD3      ARG  52  21.058  46.172  46.172
  404    HE   ARG  52           HE       ARG  52  19.436  45.422  45.422
  405   1HH1  ARG  52           HH2      ARG  52  21.677  47.579  47.579
  406   2HH1  ARG  52           HH2      ARG  52  20.733  47.622  47.622
  407    HH2  ARG  52           HH1      ARG  52  18.687  46.379  46.379
  408    H    GLN  53           HN       GLN  53  25.506  45.073  45.073
  409    HA   GLN  53           HA       GLN  53  25.262  45.025  45.025
  410   1HB   GLN  53           HB2      GLN  53  27.035  46.783  46.783
  411   2HB   GLN  53           HB3      GLN  53  25.577  47.323  47.323
  412   1HG   GLN  53           HG2      GLN  53  27.287  46.066  46.066
  413   2HG   GLN  53           HG3      GLN  53  28.253  47.208  47.208
  414   1HE2  GLN  53           HE2      GLN  53  27.112  47.159  47.159
  415   2HE2  GLN  53           HE2      GLN  53  26.293  48.672  48.672
  416    H    ALA  54           HN       ALA  54  26.691  43.713  43.713
  417    HA   ALA  54           HA       ALA  54  28.472  42.114  42.114
  418   1HB   ALA  54           HB2      ALA  54  27.517  42.003  42.003
  419   2HB   ALA  54           HB3      ALA  54  28.742  40.892  40.892
  420   3HB   ALA  54           HB1      ALA  54  27.098  40.907  40.907
  421    H    ASN  55           HN       ASN  55  30.254  43.368  43.368
  422    HA   ASN  55           HA       ASN  55  32.281  43.570  43.570
  423   1HB   ASN  55           HB2      ASN  55  32.418  46.098  46.098
  424   2HB   ASN  55           HB3      ASN  55  31.107  45.350  45.350
  425   1HD2  ASN  55           HD2      ASN  55  29.801  47.102  47.102
  426   2HD2  ASN  55           HD2      ASN  55  29.004  47.806  47.806

  Start of MODEL    6
    1    H    MET   1           HN       MET   1   1.884   0.000   0.000
    2    HA   MET   1           HA       MET   1   1.931  -0.993  -0.993
    3   1HB   MET   1           HB2      MET   1   0.938   1.801   1.801
    4   2HB   MET   1           HB3      MET   1   2.351   1.642   1.642
    5   1HG   MET   1           HG2      MET   1   0.526   1.201   1.201
    6   2HG   MET   1           HG3      MET   1   1.152  -0.390  -0.390
    7   1HE   MET   1           HE1      MET   1  -1.462   1.174   1.174
    8   2HE   MET   1           HE2      MET   1  -2.870   0.303   0.303
    9   3HE   MET   1           HE3      MET   1  -2.345   1.832   1.832
   10    H    GLN   2           HN       GLN   2   3.144   1.995   1.995
   11    HA   GLN   2           HA       GLN   2   5.735   0.773   0.773
   12   1HB   GLN   2           HB2      GLN   2   6.897   2.686   2.686
   13   2HB   GLN   2           HB3      GLN   2   5.825   1.884   1.884
   14   1HG   GLN   2           HG2      GLN   2   4.562   3.756   3.756
   15   2HG   GLN   2           HG3      GLN   2   4.393   3.985   3.985
   16   1HE2  GLN   2           HE2      GLN   2   7.582   5.686   5.686
   17   2HE2  GLN   2           HE2      GLN   2   6.821   4.229   4.229
   18    H    LYS   3           HN       LYS   3   4.573   0.920   0.920
   19    HA   LYS   3           HA       LYS   3   5.675   3.257   3.257
   20   1HB   LYS   3           HB2      LYS   3   3.048   3.405   3.405
   21   2HB   LYS   3           HB3      LYS   3   2.902   2.683   2.683
   22   1HG   LYS   3           HG2      LYS   3   2.893   5.011   5.011
   23   2HG   LYS   3           HG3      LYS   3   4.539   4.533   4.533
   24   1HD   LYS   3           HD2      LYS   3   4.890   6.432   6.432
   25   2HD   LYS   3           HD3      LYS   3   5.032   5.145   5.145
   26   1HE   LYS   3           HE2      LYS   3   3.041   5.691   5.691
   27   2HE   LYS   3           HE3      LYS   3   2.256   6.171   6.171
   28   1HZ   LYS   3           HZ1      LYS   3   2.626   8.167   8.167
   29   2HZ   LYS   3           HZ2      LYS   3   3.839   8.167   8.167
   30    H    GLY   4           HN       GLY   4   6.907   2.456   2.456
   31   1HA   GLY   4           HA1      GLY   4   7.568   1.186   1.186
   32   2HA   GLY   4           HA2      GLY   4   5.903   0.685   0.685
   33    H    ASN   5           HN       ASN   5   5.518  -1.471  -1.471
   34    HA   ASN   5           HA       ASN   5   7.418  -2.933  -2.933
   35   1HB   ASN   5           HB2      ASN   5   6.386  -4.938  -4.938
   36   2HB   ASN   5           HB3      ASN   5   7.589  -3.904  -3.904
   37   1HD2  ASN   5           HD2      ASN   5   4.001  -4.354  -4.354
   38   2HD2  ASN   5           HD2      ASN   5   4.731  -5.373  -5.373
   39    H    PHE   6           HN       PHE   6   3.970  -2.943  -2.943
   40    HA   PHE   6           HA       PHE   6   2.795  -2.980  -2.980
   41   1HB   PHE   6           HB2      PHE   6   2.086  -5.492  -5.492
   42   2HB   PHE   6           HB3      PHE   6   3.740  -5.183  -5.183
   43    HD1  PHE   6           HD1      PHE   6   1.635  -6.200  -6.200
   44    HD2  PHE   6           HD2      PHE   6   5.557  -6.017  -6.017
   45    HE1  PHE   6           HE1      PHE   6   2.460  -7.690  -7.690
   46    HE2  PHE   6           HE2      PHE   6   6.383  -7.507  -7.507
   47   1HZ   PHE   6           HZ       PHE   6   4.824  -8.325  -8.325
   48    H    ARG   7           HN       ARG   7   2.700  -4.310  -4.310
   49    HA   ARG   7           HA       ARG   7  -0.147  -3.846  -3.846
   50   1HB   ARG   7           HB2      ARG   7   1.298  -5.897  -5.897
   51   2HB   ARG   7           HB3      ARG   7   1.331  -4.832  -4.832
   52   1HG   ARG   7           HG2      ARG   7  -1.334  -5.188  -5.188
   53   2HG   ARG   7           HG3      ARG   7  -0.699  -6.585  -6.585
   54   1HD   ARG   7           HD2      ARG   7  -0.213  -4.753  -4.753
   55   2HD   ARG   7           HD3      ARG   7  -1.508  -3.898  -3.898
   56    HE   ARG   7           HE       ARG   7  -1.737  -6.453  -6.453
   57   1HH1  ARG   7           HH2      ARG   7  -3.305  -4.148  -4.148
   58   2HH1  ARG   7           HH2      ARG   7  -4.902  -4.728  -4.728
   59    HH2  ARG   7           HH1      ARG   7  -5.196  -6.533  -6.533
   60    H    ASN   8           HN       ASN   8  -0.885  -1.859  -1.859
   61    HA   ASN   8           HA       ASN   8   0.423  -0.661  -0.661
   62   1HB   ASN   8           HB2      ASN   8   0.356   0.529   0.529
   63   2HB   ASN   8           HB3      ASN   8   0.170   1.620   1.620
   64   1HD2  ASN   8           HD2      ASN   8   3.728  -0.326  -0.326
   65   2HD2  ASN   8           HD2      ASN   8   2.229  -0.803  -0.803
   66    H    GLN   9           HN       GLN   9  -1.369  -0.380  -0.380
   67    HA   GLN   9           HA       GLN   9  -3.334   0.202   0.202
   68   1HB   GLN   9           HB2      GLN   9  -3.428   1.865   1.865
   69   2HB   GLN   9           HB3      GLN   9  -4.662   1.950   1.950
   70   1HG   GLN   9           HG2      GLN   9  -2.660   2.376   2.376
   71   2HG   GLN   9           HG3      GLN   9  -1.731   2.725   2.725
   72   1HE2  GLN   9           HE2      GLN   9  -4.464   5.345   5.345
   73   2HE2  GLN   9           HE2      GLN   9  -4.140   3.783   3.783
   74    H    ARG  10           HN       ARG  10  -5.781  -0.055  -0.055
   75    HA   ARG  10           HA       ARG  10  -6.077  -2.369  -2.369
   76   1HB   ARG  10           HB2      ARG  10  -8.210  -2.705  -2.705
   77   2HB   ARG  10           HB3      ARG  10  -6.911  -2.436  -2.436
   78   1HG   ARG  10           HG2      ARG  10  -7.710   0.148   0.148
   79   2HG   ARG  10           HG3      ARG  10  -9.227  -0.663  -0.663
   80   1HD   ARG  10           HD2      ARG  10  -9.111  -1.847  -1.847
   81   2HD   ARG  10           HD3      ARG  10  -7.552  -1.119  -1.119
   82    HE   ARG  10           HE       ARG  10  -9.076   1.101   1.101
   83   1HH1  ARG  10           HH2      ARG  10  -9.674  -1.770  -1.770
   84   2HH1  ARG  10           HH2      ARG  10 -10.656  -0.924  -0.924
   85    HH2  ARG  10           HH1      ARG  10 -11.052   1.421   1.421
   86    H    LYS  11           HN       LYS  11  -5.752  -0.444  -0.444
   87    HA   LYS  11           HA       LYS  11  -8.306   0.833   0.833
   88   1HB   LYS  11           HB2      LYS  11  -6.393   2.273   2.273
   89   2HB   LYS  11           HB3      LYS  11  -5.527   1.151   1.151
   90   1HG   LYS  11           HG2      LYS  11  -6.786   1.685   1.685
   91   2HG   LYS  11           HG3      LYS  11  -8.218   2.085   2.085
   92   1HD   LYS  11           HD2      LYS  11  -7.670   4.282   4.282
   93   2HD   LYS  11           HD3      LYS  11  -6.161   3.944   3.944
   94   1HE   LYS  11           HE2      LYS  11  -5.637   5.020   5.020
   95   2HE   LYS  11           HE3      LYS  11  -5.114   3.350   3.350
   96   1HZ   LYS  11           HZ1      LYS  11  -7.069   4.660   4.660
   97   2HZ   LYS  11           HZ2      LYS  11  -6.419   3.183   3.183
   98    H    THR  12           HN       THR  12  -5.831  -1.044  -1.044
   99    HA   THR  12           HA       THR  12  -7.701  -2.944  -2.944
  100    HB   THR  12           HB       THR  12  -8.576  -0.905  -0.905
  101    HG1  THR  12           HG1      THR  12  -8.257  -2.080  -2.080
  102   1HG2  THR  12           HG2      THR  12  -5.853  -0.328  -0.328
  103   2HG2  THR  12           HG2      THR  12  -6.404  -0.984  -0.984
  104   3HG2  THR  12           HG2      THR  12  -7.223   0.427   0.427
  105    H    VAL  13           HN       VAL  13  -6.739  -4.582  -4.582
  106    HA   VAL  13           HA       VAL  13  -3.966  -4.212  -4.212
  107    HB   VAL  13           HB       VAL  13  -3.301  -6.251  -6.251
  108   1HG1  VAL  13           HG1      VAL  13  -2.778  -3.899  -3.899
  109   2HG1  VAL  13           HG1      VAL  13  -4.211  -3.948  -3.948
  110   3HG1  VAL  13           HG1      VAL  13  -2.854  -5.063  -5.063
  111   1HG2  VAL  13           HG2      VAL  13  -6.118  -6.020  -6.020
  112   2HG2  VAL  13           HG2      VAL  13  -5.066  -7.449  -7.449
  113   3HG2  VAL  13           HG2      VAL  13  -4.922  -6.367  -6.367
  114    H    LYS  14           HN       LYS  14  -3.175  -6.044  -6.044
  115    HA   LYS  14           HA       LYS  14  -5.444  -7.488  -7.488
  116   1HB   LYS  14           HB2      LYS  14  -4.471  -7.244  -7.244
  117   2HB   LYS  14           HB3      LYS  14  -4.462  -5.654  -5.654
  118   1HG   LYS  14           HG2      LYS  14  -2.237  -5.564  -5.564
  119   2HG   LYS  14           HG3      LYS  14  -2.011  -6.760  -6.760
  120   1HD   LYS  14           HD2      LYS  14  -1.676  -8.482  -8.482
  121   2HD   LYS  14           HD3      LYS  14  -2.880  -7.883  -7.883
  122   1HE   LYS  14           HE2      LYS  14  -0.095  -6.680  -6.680
  123   2HE   LYS  14           HE3      LYS  14  -0.552  -7.752  -7.752
  124   1HZ   LYS  14           HZ1      LYS  14  -1.459  -4.987  -4.987
  125   2HZ   LYS  14           HZ2      LYS  14  -0.866  -5.638  -5.638
  126    H    CYS  15           HN       CYS  15  -5.312  -9.689  -9.689
  127    HA   CYS  15           HA       CYS  15  -3.163 -10.897 -10.897
  128   1HB   CYS  15           HB2      CYS  15  -5.410 -11.747 -11.747
  129   2HB   CYS  15           HB3      CYS  15  -5.524 -12.063 -12.063
  130    H    PHE  16           HN       PHE  16  -1.186 -11.266 -11.266
  131    HA   PHE  16           HA       PHE  16  -1.019 -11.362 -11.362
  132   1HB   PHE  16           HB2      PHE  16   0.536 -10.371 -10.371
  133   2HB   PHE  16           HB3      PHE  16   1.306 -11.928 -11.928
  134    HD1  PHE  16           HD2      PHE  16  -0.034  -9.267  -9.267
  135    HD2  PHE  16           HD1      PHE  16   3.212 -11.813 -11.813
  136    HE1  PHE  16           HE2      PHE  16   1.289  -8.328  -8.328
  137    HE2  PHE  16           HE1      PHE  16   4.535 -10.875 -10.875
  138   1HZ   PHE  16           HZ       PHE  16   3.557  -9.143  -9.143
  139    H    ASN  17           HN       ASN  17  -2.095 -13.601 -13.601
  140    HA   ASN  17           HA       ASN  17  -0.325 -15.712 -15.712
  141   1HB   ASN  17           HB2      ASN  17  -1.110 -15.512 -15.512
  142   2HB   ASN  17           HB3      ASN  17  -2.730 -15.886 -15.886
  143   1HD2  ASN  17           HD2      ASN  17  -2.275 -19.316 -19.316
  144   2HD2  ASN  17           HD2      ASN  17  -3.285 -17.923 -17.923
  145    H    CYS  18           HN       CYS  18  -3.748 -14.554 -14.554
  146    HA   CYS  18           HA       CYS  18  -4.336 -16.611 -16.611
  147   1HB   CYS  18           HB2      CYS  18  -6.713 -16.203 -16.203
  148   2HB   CYS  18           HB3      CYS  18  -5.776 -16.854 -16.854
  149    H    GLY  19           HN       GLY  19  -4.446 -13.130 -13.130
  150   1HA   GLY  19           HA1      GLY  19  -4.008 -11.466 -11.466
  151   2HA   GLY  19           HA2      GLY  19  -4.711 -12.479 -12.479
  152    H    LYS  20           HN       LYS  20  -6.275 -12.230 -12.230
  153    HA   LYS  20           HA       LYS  20  -8.365 -10.600 -10.600
  154   1HB   LYS  20           HB2      LYS  20  -8.476 -13.152 -13.152
  155   2HB   LYS  20           HB3      LYS  20  -9.460 -11.971 -11.971
  156   1HG   LYS  20           HG2      LYS  20  -9.728 -11.857 -11.857
  157   2HG   LYS  20           HG3      LYS  20 -10.235 -13.385 -13.385
  158   1HD   LYS  20           HD2      LYS  20 -11.192 -11.012 -11.012
  159   2HD   LYS  20           HD3      LYS  20 -11.800 -11.094 -11.094
  160   1HE   LYS  20           HE2      LYS  20 -12.430 -13.553 -13.553
  161   2HE   LYS  20           HE3      LYS  20 -12.077 -13.212 -13.212
  162   1HZ   LYS  20           HZ1      LYS  20 -14.451 -12.865 -12.865
  163   2HZ   LYS  20           HZ2      LYS  20 -13.780 -11.522 -11.522
  164    H    GLU  21           HN       GLU  21  -9.164  -8.808  -8.808
  165    HA   GLU  21           HA       GLU  21  -7.392  -7.857  -7.857
  166   1HB   GLU  21           HB2      GLU  21  -8.649  -5.750  -5.750
  167   2HB   GLU  21           HB3      GLU  21  -8.208  -6.358  -6.358
  168   1HG   GLU  21           HG2      GLU  21 -10.793  -7.453  -7.453
  169   2HG   GLU  21           HG3      GLU  21 -10.814  -5.703  -5.703
  170    HE2  GLU  21           HE2      GLU  21 -11.243  -7.417  -7.417
  171    H    GLY  22           HN       GLY  22  -7.969  -7.302  -7.302
  172   1HA   GLY  22           HA1      GLY  22  -9.879  -7.069  -7.069
  173   2HA   GLY  22           HA2      GLY  22 -10.462  -8.598  -8.598
  174    H    HIS  23           HN       HIS  23  -7.111  -8.814  -8.814
  175    HA   HIS  23           HA       HIS  23  -6.431  -9.173  -9.173
  176   1HB   HIS  23           HB2      HIS  23  -6.501 -11.526 -11.526
  177   2HB   HIS  23           HB3      HIS  23  -8.107 -11.015 -11.015
  178    HD1  HIS  23           HD1      HIS  23  -8.740 -11.477 -11.477
  179    HD2  HIS  23           HD2      HIS  23  -5.395 -13.500 -13.500
  180    HE1  HIS  23           HE1      HIS  23  -8.268 -13.394 -13.394
  181    H    ILE  24           HN       ILE  24  -4.297 -10.583 -10.583
  182    HA   ILE  24           HA       ILE  24  -2.805  -9.934  -9.934
  183    HB   ILE  24           HB       ILE  24  -0.826  -9.976  -9.976
  184   1HG1  ILE  24           HG1      ILE  24  -2.933 -10.013 -10.013
  185   2HG1  ILE  24           HG1      ILE  24  -1.854 -11.339 -11.339
  186   1HG2  ILE  24           HG2      ILE  24  -3.050  -7.963  -7.963
  187   2HG2  ILE  24           HG2      ILE  24  -1.487  -7.756  -7.756
  188   3HG2  ILE  24           HG2      ILE  24  -1.548  -7.856  -7.856
  189   1HD1  ILE  24           HD1      ILE  24  -0.214  -9.005  -9.005
  190   2HD1  ILE  24           HD1      ILE  24  -1.338  -9.033  -9.033
  191   3HD1  ILE  24           HD1      ILE  24  -0.280 -10.429 -10.429
  192    H    ALA  25           HN       ALA  25  -0.834 -11.455 -11.455
  193    HA   ALA  25           HA       ALA  25  -1.811 -14.003 -14.003
  194   1HB   ALA  25           HB2      ALA  25   0.888 -12.672 -12.672
  195   2HB   ALA  25           HB3      ALA  25   0.799 -14.440 -14.440
  196   3HB   ALA  25           HB1      ALA  25  -0.009 -13.379 -13.379
  197    H    LYS  26           HN       LYS  26   0.143 -12.684 -12.684
  198    HA   LYS  26           HA       LYS  26   0.554 -15.175 -15.175
  199   1HB   LYS  26           HB2      LYS  26   1.910 -13.139 -13.139
  200   2HB   LYS  26           HB3      LYS  26   0.547 -12.393 -12.393
  201   1HG   LYS  26           HG2      LYS  26   0.517 -14.416 -14.416
  202   2HG   LYS  26           HG3      LYS  26   2.035 -14.912 -14.912
  203   1HD   LYS  26           HD2      LYS  26   2.666 -13.653 -13.653
  204   2HD   LYS  26           HD3      LYS  26   2.936 -12.565 -12.565
  205   1HE   LYS  26           HE2      LYS  26   1.761 -11.181 -11.181
  206   2HE   LYS  26           HE3      LYS  26   0.467 -11.755 -11.755
  207   1HZ   LYS  26           HZ1      LYS  26   0.546 -13.672 -13.672
  208   2HZ   LYS  26           HZ2      LYS  26   0.964 -12.373 -12.373
  209    H    ASN  27           HN       ASN  27  -2.246 -13.163 -13.163
  210    HA   ASN  27           HA       ASN  27  -3.490 -14.515 -14.515
  211   1HB   ASN  27           HB2      ASN  27  -3.512 -11.894 -11.894
  212   2HB   ASN  27           HB3      ASN  27  -4.707 -12.200 -12.200
  213   1HD2  ASN  27           HD2      ASN  27  -4.039 -11.995 -11.995
  214   2HD2  ASN  27           HD2      ASN  27  -5.612 -12.362 -12.362
  215    H    CYS  28           HN       CYS  28  -2.882 -15.411 -15.411
  216    HA   CYS  28           HA       CYS  28  -5.427 -15.507 -15.507
  217   1HB   CYS  28           HB2      CYS  28  -3.256 -15.490 -15.490
  218   2HB   CYS  28           HB3      CYS  28  -2.919 -17.098 -17.098
  219    H    ARG  29           HN       ARG  29  -7.063 -16.795 -16.795
  220    HA   ARG  29           HA       ARG  29  -6.447 -18.915 -18.915
  221   1HB   ARG  29           HB2      ARG  29  -8.907 -19.227 -19.227
  222   2HB   ARG  29           HB3      ARG  29  -8.502 -17.529 -17.529
  223   1HG   ARG  29           HG2      ARG  29  -9.706 -17.019 -17.019
  224   2HG   ARG  29           HG3      ARG  29  -8.791 -18.162 -18.162
  225   1HD   ARG  29           HD2      ARG  29 -10.704 -19.390 -19.390
  226   2HD   ARG  29           HD3      ARG  29 -10.442 -19.830 -19.830
  227    HE   ARG  29           HE       ARG  29 -12.189 -18.402 -18.402
  228   1HH1  ARG  29           HH2      ARG  29 -11.160 -17.571 -17.571
  229   2HH1  ARG  29           HH2      ARG  29 -12.459 -16.454 -16.454
  230    HH2  ARG  29           HH1      ARG  29 -14.058 -16.091 -16.091
  231    H    ALA  30           HN       ALA  30  -6.116 -18.681 -18.681
  232    HA   ALA  30           HA       ALA  30  -6.957 -21.465 -21.465
  233   1HB   ALA  30           HB1      ALA  30  -7.836 -19.231 -19.231
  234   2HB   ALA  30           HB2      ALA  30  -6.466 -19.731 -19.731
  235   3HB   ALA  30           HB3      ALA  30  -7.795 -20.870 -20.870
  236    HA   PRO  31           HA       PRO  31  -2.504 -21.590 -21.590
  237   1HB   PRO  31           HB2      PRO  31  -2.221 -24.103 -24.103
  238   2HB   PRO  31           HB3      PRO  31  -2.216 -22.654 -22.654
  239   1HG   PRO  31           HG2      PRO  31  -4.357 -24.666 -24.666
  240   2HG   PRO  31           HG3      PRO  31  -4.155 -23.472 -23.472
  241   1HD   PRO  31           HD2      PRO  31  -5.989 -23.345 -23.345
  242   2HD   PRO  31           HD3      PRO  31  -5.705 -22.101 -22.101
  243    H    ARG  32           HN       ARG  32  -4.271 -24.595 -24.595
  244    HA   ARG  32           HA       ARG  32  -3.527 -24.400 -24.400
  245   1HB   ARG  32           HB2      ARG  32  -1.939 -26.025 -26.025
  246   2HB   ARG  32           HB3      ARG  32  -2.643 -27.027 -27.027
  247   1HG   ARG  32           HG2      ARG  32  -1.623 -24.580 -24.580
  248   2HG   ARG  32           HG3      ARG  32  -0.369 -25.301 -25.301
  249   1HD   ARG  32           HD2      ARG  32  -1.140 -27.560 -27.560
  250   2HD   ARG  32           HD3      ARG  32  -1.780 -26.461 -26.461
  251    HE   ARG  32           HE       ARG  32   0.403 -26.114 -26.114
  252   1HH1  ARG  32           HH2      ARG  32   2.258 -27.037 -27.037
  253   2HH1  ARG  32           HH2      ARG  32   0.527 -27.049 -27.049
  254    HH2  ARG  32           HH1      ARG  32   3.507 -26.474 -26.474
  255    H    LYS  33           HN       LYS  33  -4.598 -26.158 -26.158
  256    HA   LYS  33           HA       LYS  33  -6.566 -27.101 -27.101
  257   1HB   LYS  33           HB2      LYS  33  -6.770 -29.313 -29.313
  258   2HB   LYS  33           HB3      LYS  33  -5.064 -28.948 -28.948
  259   1HG   LYS  33           HG2      LYS  33  -4.721 -28.853 -28.853
  260   2HG   LYS  33           HG3      LYS  33  -6.339 -28.269 -28.269
  261   1HD   LYS  33           HD2      LYS  33  -7.296 -30.490 -30.490
  262   2HD   LYS  33           HD3      LYS  33  -5.772 -31.109 -31.109
  263   1HE   LYS  33           HE2      LYS  33  -4.815 -31.246 -31.246
  264   2HE   LYS  33           HE3      LYS  33  -5.726 -29.885 -29.885
  265   1HZ   LYS  33           HZ1      LYS  33  -7.675 -31.261 -31.261
  266   2HZ   LYS  33           HZ2      LYS  33  -6.980 -32.503 -32.503
  267    H    LYS  34           HN       LYS  34  -8.240 -28.618 -28.618
  268    HA   LYS  34           HA       LYS  34  -9.132 -26.783 -26.783
  269   1HB   LYS  34           HB2      LYS  34 -11.211 -26.020 -26.020
  270   2HB   LYS  34           HB3      LYS  34  -9.863 -25.487 -25.487
  271   1HG   LYS  34           HG2      LYS  34 -10.275 -27.656 -27.656
  272   2HG   LYS  34           HG3      LYS  34 -11.816 -27.747 -27.747
  273   1HD   LYS  34           HD2      LYS  34 -12.233 -26.546 -26.546
  274   2HD   LYS  34           HD3      LYS  34 -12.274 -25.350 -25.350
  275   1HE   LYS  34           HE2      LYS  34  -9.951 -24.667 -24.667
  276   2HE   LYS  34           HE3      LYS  34  -9.804 -25.937 -25.937
  277   1HZ   LYS  34           HZ1      LYS  34 -10.363 -23.925 -23.925
  278   2HZ   LYS  34           HZ2      LYS  34 -11.711 -24.837 -24.837
  279    H    GLY  35           HN       GLY  35 -11.225 -27.589 -27.589
  280   1HA   GLY  35           HA1      GLY  35 -11.258 -30.528 -30.528
  281   2HA   GLY  35           HA2      GLY  35 -11.707 -29.579 -29.579
  282    H    CYS  36           HN       CYS  36 -13.437 -31.562 -31.562
  283    HA   CYS  36           HA       CYS  36 -15.287 -30.652 -30.652
  284   1HB   CYS  36           HB2      CYS  36 -14.993 -33.003 -33.003
  285   2HB   CYS  36           HB3      CYS  36 -15.771 -32.563 -32.563
  286    H    TRP  37           HN       TRP  37 -16.565 -28.846 -28.846
  287    HA   TRP  37           HA       TRP  37 -17.124 -27.821 -27.821
  288   1HB   TRP  37           HB2      TRP  37 -17.136 -26.733 -26.733
  289   2HB   TRP  37           HB3      TRP  37 -18.253 -26.024 -26.024
  290    HD1  TRP  37           HD1      TRP  37 -14.673 -27.173 -27.173
  291    HE1  TRP  37           HE1      TRP  37 -13.227 -25.129 -25.129
  292    HE3  TRP  37           HE3      TRP  37 -18.129 -23.607 -23.607
  293    HZ2  TRP  37           HZ2      TRP  37 -13.681 -22.313 -22.313
  294    HZ3  TRP  37           HZ3      TRP  37 -17.549 -21.235 -21.235
  295    HH2  TRP  37           HH2      TRP  37 -15.413 -20.565 -20.565
  296    H    LYS  38           HN       LYS  38 -18.310 -30.342 -30.342
  297    HA   LYS  38           HA       LYS  38 -21.122 -29.532 -29.532
  298   1HB   LYS  38           HB2      LYS  38 -20.108 -30.589 -30.589
  299   2HB   LYS  38           HB3      LYS  38 -20.073 -32.088 -32.088
  300   1HG   LYS  38           HG2      LYS  38 -22.658 -31.000 -31.000
  301   2HG   LYS  38           HG3      LYS  38 -22.352 -30.737 -30.737
  302   1HD   LYS  38           HD2      LYS  38 -21.421 -33.346 -33.346
  303   2HD   LYS  38           HD3      LYS  38 -22.810 -33.272 -33.272
  304   1HE   LYS  38           HE2      LYS  38 -24.322 -32.992 -32.992
  305   2HE   LYS  38           HE3      LYS  38 -23.183 -32.106 -32.106
  306   1HZ   LYS  38           HZ1      LYS  38 -22.829 -34.033 -34.033
  307   2HZ   LYS  38           HZ2      LYS  38 -22.126 -34.653 -34.653
  308    H    CYS  39           HN       CYS  39 -18.693 -31.961 -31.961
  309    HA   CYS  39           HA       CYS  39 -20.643 -32.795 -32.795
  310   1HB   CYS  39           HB2      CYS  39 -19.182 -34.789 -34.789
  311   2HB   CYS  39           HB3      CYS  39 -19.970 -34.660 -34.660
  312    H    GLY  40           HN       GLY  40 -17.569 -31.211 -31.211
  313   1HA   GLY  40           HA1      GLY  40 -16.501 -29.775 -29.775
  314   2HA   GLY  40           HA2      GLY  40 -17.293 -30.543 -30.543
  315    H    LYS  41           HN       LYS  41 -16.000 -32.754 -32.754
  316    HA   LYS  41           HA       LYS  41 -13.870 -33.422 -33.422
  317   1HB   LYS  41           HB2      LYS  41 -15.773 -34.961 -34.961
  318   2HB   LYS  41           HB3      LYS  41 -14.237 -35.308 -35.308
  319   1HG   LYS  41           HG2      LYS  41 -14.150 -36.840 -36.840
  320   2HG   LYS  41           HG3      LYS  41 -13.358 -35.477 -35.477
  321   1HD   LYS  41           HD2      LYS  41 -14.925 -35.913 -35.913
  322   2HD   LYS  41           HD3      LYS  41 -15.890 -34.831 -34.831
  323   1HE   LYS  41           HE2      LYS  41 -17.390 -36.589 -36.589
  324   2HE   LYS  41           HE3      LYS  41 -16.492 -37.128 -37.128
  325   1HZ   LYS  41           HZ1      LYS  41 -15.012 -38.326 -38.326
  326   2HZ   LYS  41           HZ2      LYS  41 -16.200 -38.073 -38.073
  327    H    GLU  42           HN       GLU  42 -11.795 -32.899 -32.899
  328    HA   GLU  42           HA       GLU  42 -11.265 -31.757 -31.757
  329   1HB   GLU  42           HB2      GLU  42  -9.203 -30.940 -30.940
  330   2HB   GLU  42           HB3      GLU  42 -10.512 -30.644 -30.644
  331   1HG   GLU  42           HG2      GLU  42  -9.724 -33.157 -33.157
  332   2HG   GLU  42           HG3      GLU  42  -8.197 -32.518 -32.518
  333    HE2  GLU  42           HE2      GLU  42  -8.144 -31.943 -31.943
  334    H    GLY  43           HN       GLY  43 -10.420 -32.923 -32.923
  335   1HA   GLY  43           HA1      GLY  43  -8.280 -34.384 -34.384
  336   2HA   GLY  43           HA2      GLY  43  -9.257 -35.548 -35.548
  337    H    HIS  44           HN       HIS  44 -11.834 -35.128 -35.128
  338    HA   HIS  44           HA       HIS  44 -11.415 -35.920 -35.920
  339   1HB   HIS  44           HB2      HIS  44 -13.345 -37.257 -37.257
  340   2HB   HIS  44           HB3      HIS  44 -12.435 -37.552 -37.552
  341    HD1  HIS  44           HD1      HIS  44 -13.562 -37.019 -37.019
  342    HD2  HIS  44           HD2      HIS  44 -15.726 -35.638 -35.638
  343    HE1  HIS  44           HE1      HIS  44 -15.830 -36.259 -36.259
  344    H    GLN  45           HN       GLN  45 -13.290 -35.316 -35.316
  345    HA   GLN  45           HA       GLN  45 -14.212 -32.647 -32.647
  346   1HB   GLN  45           HB2      GLN  45 -12.926 -33.676 -33.676
  347   2HB   GLN  45           HB3      GLN  45 -14.191 -32.479 -32.479
  348   1HG   GLN  45           HG2      GLN  45 -11.903 -31.459 -31.459
  349   2HG   GLN  45           HG3      GLN  45 -13.012 -30.892 -30.892
  350   1HE2  GLN  45           HE2      GLN  45 -11.069 -31.870 -31.870
  351   2HE2  GLN  45           HE2      GLN  45 -12.350 -30.917 -30.917
  352    H    MET  46           HN       MET  46 -16.010 -32.108 -32.108
  353    HA   MET  46           HA       MET  46 -18.210 -33.568 -33.568
  354   1HB   MET  46           HB2      MET  46 -18.337 -31.285 -31.285
  355   2HB   MET  46           HB3      MET  46 -17.679 -31.847 -31.847
  356   1HG   MET  46           HG2      MET  46 -20.119 -33.308 -33.308
  357   2HG   MET  46           HG3      MET  46 -20.379 -31.613 -31.613
  358   1HE   MET  46           HE2      MET  46 -21.481 -34.122 -34.122
  359   2HE   MET  46           HE3      MET  46 -21.670 -33.824 -33.824
  360   3HE   MET  46           HE1      MET  46 -20.508 -35.044 -35.044
  361    H    LYS  47           HN       LYS  47 -16.033 -33.905 -33.905
  362    HA   LYS  47           HA       LYS  47 -17.628 -35.799 -35.799
  363   1HB   LYS  47           HB2      LYS  47 -15.745 -34.328 -34.328
  364   2HB   LYS  47           HB3      LYS  47 -14.629 -35.494 -35.494
  365   1HG   LYS  47           HG2      LYS  47 -15.126 -37.096 -37.096
  366   2HG   LYS  47           HG3      LYS  47 -16.838 -36.722 -36.722
  367   1HD   LYS  47           HD2      LYS  47 -15.970 -34.451 -34.451
  368   2HD   LYS  47           HD3      LYS  47 -14.627 -35.483 -35.483
  369   1HE   LYS  47           HE2      LYS  47 -17.159 -36.886 -36.886
  370   2HE   LYS  47           HE3      LYS  47 -17.181 -35.339 -35.339
  371   1HZ   LYS  47           HZ1      LYS  47 -16.095 -36.611 -36.611
  372   2HZ   LYS  47           HZ2      LYS  47 -14.777 -36.145 -36.145
  373    H    ASP  48           HN       ASP  48 -15.669 -35.935 -35.935
  374    HA   ASP  48           HA       ASP  48 -15.754 -38.845 -38.845
  375   1HB   ASP  48           HB2      ASP  48 -13.442 -37.737 -37.737
  376   2HB   ASP  48           HB3      ASP  48 -13.832 -37.162 -37.162
  377    HD2  ASP  48           HD2      ASP  48 -14.399 -38.935 -38.935
  378    H    CYS  49           HN       CYS  49 -17.625 -36.558 -36.558
  379    HA   CYS  49           HA       CYS  49 -17.570 -37.070 -37.070
  380   1HB   CYS  49           HB2      CYS  49 -17.996 -34.785 -34.785
  381   2HB   CYS  49           HB3      CYS  49 -19.443 -35.343 -35.343
  382    H    THR  50           HN       THR  50 -18.439 -39.017 -39.017
  383    HA   THR  50           HA       THR  50 -20.471 -40.286 -40.286
  384    HB   THR  50           HB       THR  50 -18.979 -41.027 -41.027
  385    HG1  THR  50           HG1      THR  50 -17.796 -42.245 -42.245
  386   1HG2  THR  50           HG2      THR  50 -21.171 -42.405 -42.405
  387   2HG2  THR  50           HG2      THR  50 -19.807 -43.397 -43.397
  388   3HG2  THR  50           HG2      THR  50 -20.801 -42.494 -42.494
  389    H    GLU  51           HN       GLU  51 -20.649 -37.702 -37.702
  390    HA   GLU  51           HA       GLU  51 -22.998 -38.654 -38.654
  391   1HB   GLU  51           HB2      GLU  51 -21.370 -36.089 -36.089
  392   2HB   GLU  51           HB3      GLU  51 -22.847 -36.373 -36.373
  393   1HG   GLU  51           HG2      GLU  51 -21.123 -38.693 -38.693
  394   2HG   GLU  51           HG3      GLU  51 -20.197 -37.253 -37.253
  395    HE1  GLU  51           HE2      GLU  51 -21.458 -35.738 -35.738
  396    H    ARG  52           HN       ARG  52 -24.675 -38.719 -38.719
  397    HA   ARG  52           HA       ARG  52 -25.824 -36.286 -36.286
  398   1HB   ARG  52           HB2      ARG  52 -24.023 -36.249 -36.249
  399   2HB   ARG  52           HB3      ARG  52 -24.560 -37.806 -37.806
  400   1HG   ARG  52           HG2      ARG  52 -25.584 -36.224 -36.224
  401   2HG   ARG  52           HG3      ARG  52 -26.872 -36.719 -36.719
  402   1HD   ARG  52           HD2      ARG  52 -27.189 -34.509 -34.509
  403   2HD   ARG  52           HD3      ARG  52 -25.701 -34.573 -34.573
  404    HE   ARG  52           HE       ARG  52 -24.851 -34.225 -34.225
  405   1HH1  ARG  52           HH2      ARG  52 -26.996 -32.447 -32.447
  406   2HH1  ARG  52           HH2      ARG  52 -26.671 -30.910 -30.910
  407    HH2  ARG  52           HH1      ARG  52 -25.155 -30.787 -30.787
  408    H    GLN  53           HN       GLN  53 -28.003 -36.612 -36.612
  409    HA   GLN  53           HA       GLN  53 -29.888 -37.711 -37.711
  410   1HB   GLN  53           HB2      GLN  53 -28.972 -38.179 -38.179
  411   2HB   GLN  53           HB3      GLN  53 -28.324 -39.699 -39.699
  412   1HG   GLN  53           HG2      GLN  53 -30.915 -39.961 -39.961
  413   2HG   GLN  53           HG3      GLN  53 -31.166 -38.933 -38.933
  414   1HE2  GLN  53           HE2      GLN  53 -29.934 -41.274 -41.274
  415   2HE2  GLN  53           HE2      GLN  53 -29.970 -39.591 -39.591
  416    H    ALA  54           HN       ALA  54 -29.531 -38.155 -38.155
  417    HA   ALA  54           HA       ALA  54 -28.648 -40.775 -40.775
  418   1HB   ALA  54           HB3      ALA  54 -29.264 -38.247 -38.247
  419   2HB   ALA  54           HB1      ALA  54 -30.104 -39.567 -39.567
  420   3HB   ALA  54           HB2      ALA  54 -28.337 -39.626 -39.626
  421    H    ASN  55           HN       ASN  55 -30.186 -41.818 -41.818
  422    HA   ASN  55           HA       ASN  55 -31.913 -43.073 -43.073
  423   1HB   ASN  55           HB2      ASN  55 -32.546 -42.613 -42.613
  424   2HB   ASN  55           HB3      ASN  55 -33.403 -43.766 -43.766
  425   1HD2  ASN  55           HD2      ASN  55 -31.096 -46.312 -46.312
  426   2HD2  ASN  55           HD2      ASN  55 -32.672 -45.752 -45.752

  Start of MODEL    7
    1    H    MET   1           HN       MET   1   1.884   0.000   0.000
    2    HA   MET   1           HA       MET   1   3.072   0.354   0.354
    3   1HB   MET   1           HB2      MET   1   2.776  -1.447  -1.447
    4   2HB   MET   1           HB3      MET   1   2.532  -2.101  -2.101
    5   1HG   MET   1           HG2      MET   1   0.136  -1.047  -1.047
    6   2HG   MET   1           HG3      MET   1   0.787  -2.615  -2.615
    7   1HE   MET   1           HE1      MET   1  -1.704  -2.996  -2.996
    8   2HE   MET   1           HE2      MET   1  -1.003  -4.517  -4.517
    9   3HE   MET   1           HE3      MET   1  -2.242  -3.669  -3.669
   10    H    GLN   2           HN       GLN   2   3.234   1.173   1.173
   11    HA   GLN   2           HA       GLN   2   1.316   3.135   3.135
   12   1HB   GLN   2           HB2      GLN   2   2.591   3.526   3.526
   13   2HB   GLN   2           HB3      GLN   2   3.619   3.450   3.450
   14   1HG   GLN   2           HG2      GLN   2   4.781   1.719   1.719
   15   2HG   GLN   2           HG3      GLN   2   3.318   0.764   0.764
   16   1HE2  GLN   2           HE2      GLN   2   4.355   0.804   0.804
   17   2HE2  GLN   2           HE2      GLN   2   4.591   0.006   0.006
   18    H    LYS   3           HN       LYS   3   1.604  -0.228  -0.228
   19    HA   LYS   3           HA       LYS   3  -1.014  -0.202  -0.202
   20   1HB   LYS   3           HB2      LYS   3   0.475   0.845   0.845
   21   2HB   LYS   3           HB3      LYS   3   1.069  -0.786  -0.786
   22   1HG   LYS   3           HG2      LYS   3  -1.820  -0.885  -0.885
   23   2HG   LYS   3           HG3      LYS   3  -1.394   0.355   0.355
   24   1HD   LYS   3           HD2      LYS   3   0.042  -1.269  -1.269
   25   2HD   LYS   3           HD3      LYS   3  -0.333  -2.511  -2.511
   26   1HE   LYS   3           HE2      LYS   3  -2.526  -1.083  -1.083
   27   2HE   LYS   3           HE3      LYS   3  -1.712  -2.494  -2.494
   28   1HZ   LYS   3           HZ1      LYS   3  -3.805  -2.920  -2.920
   29   2HZ   LYS   3           HZ2      LYS   3  -2.515  -3.815  -3.815
   30    H    GLY   4           HN       GLY   4   2.068  -2.012  -2.012
   31   1HA   GLY   4           HA1      GLY   4   1.145  -4.207  -4.207
   32   2HA   GLY   4           HA2      GLY   4   1.222  -4.539  -4.539
   33    H    ASN   5           HN       ASN   5   3.289  -4.450  -4.450
   34    HA   ASN   5           HA       ASN   5   5.479  -4.434  -4.434
   35   1HB   ASN   5           HB2      ASN   5   5.287  -2.874  -2.874
   36   2HB   ASN   5           HB3      ASN   5   6.156  -4.251  -4.251
   37   1HD2  ASN   5           HD2      ASN   5   9.201  -3.091  -3.091
   38   2HD2  ASN   5           HD2      ASN   5   8.223  -3.856  -3.856
   39    H    PHE   6           HN       PHE   6   4.475  -5.816  -5.816
   40    HA   PHE   6           HA       PHE   6   6.100  -8.163  -8.163
   41   1HB   PHE   6           HB2      PHE   6   5.642  -6.668  -6.668
   42   2HB   PHE   6           HB3      PHE   6   4.248  -7.719  -7.719
   43    HD1  PHE   6           HD1      PHE   6   7.814  -8.301  -8.301
   44    HD2  PHE   6           HD2      PHE   6   4.601  -9.323  -9.323
   45    HE1  PHE   6           HE1      PHE   6   9.247 -10.048 -10.048
   46    HE2  PHE   6           HE2      PHE   6   6.034 -11.070 -11.070
   47   1HZ   PHE   6           HZ       PHE   6   8.340 -11.411 -11.411
   48    H    ARG   7           HN       ARG   7   4.888  -9.145  -9.145
   49    HA   ARG   7           HA       ARG   7   2.214  -9.958  -9.958
   50   1HB   ARG   7           HB2      ARG   7   3.596  -9.420  -9.420
   51   2HB   ARG   7           HB3      ARG   7   2.513 -10.797 -10.797
   52   1HG   ARG   7           HG2      ARG   7   1.128  -8.952  -8.952
   53   2HG   ARG   7           HG3      ARG   7   0.745  -9.253  -9.253
   54   1HD   ARG   7           HD2      ARG   7   2.893  -7.484  -7.484
   55   2HD   ARG   7           HD3      ARG   7   2.073  -6.905  -6.905
   56    HE   ARG   7           HE       ARG   7   1.115  -6.683  -6.683
   57   1HH1  ARG   7           HH2      ARG   7  -0.030  -7.146  -7.146
   58   2HH1  ARG   7           HH2      ARG   7  -1.592  -6.466  -6.466
   59    HH2  ARG   7           HH1      ARG   7  -2.108  -5.673  -5.673
   60    H    ASN   8           HN       ASN   8   2.806 -11.718 -11.718
   61    HA   ASN   8           HA       ASN   8   3.220 -14.135 -14.135
   62   1HB   ASN   8           HB2      ASN   8   5.402 -14.771 -14.771
   63   2HB   ASN   8           HB3      ASN   8   5.592 -13.449 -13.449
   64   1HD2  ASN   8           HD2      ASN   8   7.428 -12.727 -12.727
   65   2HD2  ASN   8           HD2      ASN   8   7.398 -14.021 -14.021
   66    H    GLN   9           HN       GLN   9   1.590 -15.110 -15.110
   67    HA   GLN   9           HA       GLN   9   0.433 -15.788 -15.788
   68   1HB   GLN   9           HB2      GLN   9   3.235 -15.910 -15.910
   69   2HB   GLN   9           HB3      GLN   9   1.851 -16.438 -16.438
   70   1HG   GLN   9           HG2      GLN   9   1.721 -18.392 -18.392
   71   2HG   GLN   9           HG3      GLN   9   1.696 -17.556 -17.556
   72   1HE2  GLN   9           HE2      GLN   9   2.926 -19.725 -19.725
   73   2HE2  GLN   9           HE2      GLN   9   4.655 -19.626 -19.626
   74    H    ARG  10           HN       ARG  10  -0.999 -14.207 -14.207
   75    HA   ARG  10           HA       ARG  10  -1.882 -12.646 -12.646
   76   1HB   ARG  10           HB2      ARG  10   0.190 -13.729 -13.729
   77   2HB   ARG  10           HB3      ARG  10  -0.086 -12.031 -12.031
   78   1HG   ARG  10           HG2      ARG  10  -2.578 -12.516 -12.516
   79   2HG   ARG  10           HG3      ARG  10  -2.215 -14.220 -14.220
   80   1HD   ARG  10           HD2      ARG  10  -0.547 -13.099 -13.099
   81   2HD   ARG  10           HD3      ARG  10  -2.227 -12.707 -12.707
   82    HE   ARG  10           HE       ARG  10  -2.730 -15.017 -15.017
   83   1HH1  ARG  10           HH2      ARG  10   0.620 -14.571 -14.571
   84   2HH1  ARG  10           HH2      ARG  10   1.072 -16.212 -16.212
   85    HH2  ARG  10           HH1      ARG  10  -0.564 -17.729 -17.729
   86    H    LYS  11           HN       LYS  11  -1.980 -10.415 -10.415
   87    HA   LYS  11           HA       LYS  11   0.051  -9.165  -9.165
   88   1HB   LYS  11           HB2      LYS  11  -2.502  -8.321  -8.321
   89   2HB   LYS  11           HB3      LYS  11  -1.375  -7.067  -7.067
   90   1HG   LYS  11           HG2      LYS  11  -1.279  -8.443  -8.443
   91   2HG   LYS  11           HG3      LYS  11  -2.812  -9.087  -9.087
   92   1HD   LYS  11           HD2      LYS  11  -2.235  -6.094  -6.094
   93   2HD   LYS  11           HD3      LYS  11  -2.941  -6.984  -6.984
   94   1HE   LYS  11           HE2      LYS  11  -4.904  -6.331  -6.331
   95   2HE   LYS  11           HE3      LYS  11  -4.638  -7.822  -7.822
   96   1HZ   LYS  11           HZ1      LYS  11  -4.690  -5.219  -5.219
   97   2HZ   LYS  11           HZ2      LYS  11  -4.468  -6.607  -6.607
   98    H    THR  12           HN       THR  12  -1.027  -8.544  -8.544
   99    HA   THR  12           HA       THR  12   1.775  -7.903  -7.903
  100    HB   THR  12           HB       THR  12   0.870  -5.978  -5.978
  101    HG1  THR  12           HG1      THR  12  -1.341  -5.937  -5.937
  102   1HG2  THR  12           HG2      THR  12   1.063  -6.090  -6.090
  103   2HG2  THR  12           HG2      THR  12  -0.412  -5.174  -5.174
  104   3HG2  THR  12           HG2      THR  12   1.160  -4.646  -4.646
  105    H    VAL  13           HN       VAL  13   2.191  -7.907  -7.907
  106    HA   VAL  13           HA       VAL  13   0.366  -9.716  -9.716
  107    HB   VAL  13           HB       VAL  13   2.351 -11.024 -11.024
  108   1HG1  VAL  13           HG1      VAL  13   0.741 -11.442 -11.442
  109   2HG1  VAL  13           HG1      VAL  13   2.309 -11.382 -11.382
  110   3HG1  VAL  13           HG1      VAL  13   2.043 -12.562 -12.562
  111   1HG2  VAL  13           HG2      VAL  13   3.945  -9.120  -9.120
  112   2HG2  VAL  13           HG2      VAL  13   4.462 -10.821 -10.821
  113   3HG2  VAL  13           HG2      VAL  13   3.859  -9.999  -9.999
  114    H    LYS  14           HN       LYS  14   0.647  -9.657  -9.657
  115    HA   LYS  14           HA       LYS  14   2.160  -7.301  -7.301
  116   1HB   LYS  14           HB2      LYS  14   0.384  -6.409  -6.409
  117   2HB   LYS  14           HB3      LYS  14  -0.417  -7.016  -7.016
  118   1HG   LYS  14           HG2      LYS  14  -0.654  -9.246  -9.246
  119   2HG   LYS  14           HG3      LYS  14  -0.444  -8.136  -8.136
  120   1HD   LYS  14           HD2      LYS  14  -2.434  -7.435  -7.435
  121   2HD   LYS  14           HD3      LYS  14  -2.874  -8.651  -8.651
  122   1HE   LYS  14           HE2      LYS  14  -3.640  -6.689  -6.689
  123   2HE   LYS  14           HE3      LYS  14  -2.062  -6.879  -6.879
  124   1HZ   LYS  14           HZ1      LYS  14  -1.963  -4.703  -4.703
  125   2HZ   LYS  14           HZ2      LYS  14  -1.330  -5.420  -5.420
  126    H    CYS  15           HN       CYS  15   3.518  -7.694  -7.694
  127    HA   CYS  15           HA       CYS  15   3.531 -10.376 -10.376
  128   1HB   CYS  15           HB2      CYS  15   5.623  -9.335  -9.335
  129   2HB   CYS  15           HB3      CYS  15   5.379  -8.027  -8.027
  130    H    PHE  16           HN       PHE  16   2.155 -10.842 -10.842
  131    HA   PHE  16           HA       PHE  16   1.258  -8.702  -8.702
  132   1HB   PHE  16           HB2      PHE  16   0.288 -11.161 -11.161
  133   2HB   PHE  16           HB3      PHE  16   0.634 -11.548 -11.548
  134    HD1  PHE  16           HD2      PHE  16  -1.001  -8.795  -8.795
  135    HD2  PHE  16           HD1      PHE  16  -1.098 -11.300 -11.300
  136    HE1  PHE  16           HE2      PHE  16  -3.186  -7.768  -7.768
  137    HE2  PHE  16           HE1      PHE  16  -3.283 -10.274 -10.274
  138   1HZ   PHE  16           HZ       PHE  16  -4.300  -8.521  -8.521
  139    H    ASN  17           HN       ASN  17   4.139 -10.099 -10.099
  140    HA   ASN  17           HA       ASN  17   4.185 -10.889 -10.889
  141   1HB   ASN  17           HB2      ASN  17   5.327 -12.220 -12.220
  142   2HB   ASN  17           HB3      ASN  17   6.521 -10.938 -10.938
  143   1HD2  ASN  17           HD2      ASN  17   8.361 -12.081 -12.081
  144   2HD2  ASN  17           HD2      ASN  17   8.181 -11.031 -11.031
  145    H    CYS  18           HN       CYS  18   5.702  -8.653  -8.653
  146    HA   CYS  18           HA       CYS  18   6.835  -7.136  -7.136
  147   1HB   CYS  18           HB2      CYS  18   8.282  -6.088  -6.088
  148   2HB   CYS  18           HB3      CYS  18   8.539  -7.808  -7.808
  149    H    GLY  19           HN       GLY  19   4.765  -7.084  -7.084
  150   1HA   GLY  19           HA1      GLY  19   2.838  -5.725  -5.725
  151   2HA   GLY  19           HA2      GLY  19   3.633  -4.529  -4.529
  152    H    LYS  20           HN       LYS  20   5.450  -6.104  -6.104
  153    HA   LYS  20           HA       LYS  20   5.261  -3.594  -3.594
  154   1HB   LYS  20           HB2      LYS  20   7.601  -5.401  -5.401
  155   2HB   LYS  20           HB3      LYS  20   7.600  -4.371  -4.371
  156   1HG   LYS  20           HG2      LYS  20   6.777  -2.566  -2.566
  157   2HG   LYS  20           HG3      LYS  20   7.761  -3.622  -3.622
  158   1HD   LYS  20           HD2      LYS  20   9.720  -3.255  -3.255
  159   2HD   LYS  20           HD3      LYS  20   8.783  -2.529  -2.529
  160   1HE   LYS  20           HE2      LYS  20   9.885  -0.732  -0.732
  161   2HE   LYS  20           HE3      LYS  20   8.170  -0.634  -0.634
  162   1HZ   LYS  20           HZ1      LYS  20   8.533  -1.673  -1.673
  163   2HZ   LYS  20           HZ2      LYS  20  10.082  -2.043  -2.043
  164    H    GLU  21           HN       GLU  21   4.859  -3.708  -3.708
  165    HA   GLU  21           HA       GLU  21   3.741  -6.194  -6.194
  166   1HB   GLU  21           HB2      GLU  21   2.977  -4.948  -4.948
  167   2HB   GLU  21           HB3      GLU  21   2.663  -4.006  -4.006
  168   1HG   GLU  21           HG2      GLU  21   5.107  -3.014  -3.014
  169   2HG   GLU  21           HG3      GLU  21   4.714  -3.542  -3.542
  170    HE1  GLU  21           HE2      GLU  21   2.877  -2.295  -2.295
  171    H    GLY  22           HN       GLY  22   4.313  -7.219  -7.219
  172   1HA   GLY  22           HA1      GLY  22   5.888  -7.429  -7.429
  173   2HA   GLY  22           HA2      GLY  22   7.135  -6.767  -6.767
  174    H    HIS  23           HN       HIS  23   5.178  -8.762  -8.762
  175    HA   HIS  23           HA       HIS  23   6.022 -11.304 -11.304
  176   1HB   HIS  23           HB2      HIS  23   7.838 -11.788 -11.788
  177   2HB   HIS  23           HB3      HIS  23   8.262 -10.309 -10.309
  178    HD1  HIS  23           HD1      HIS  23   7.940  -8.017  -8.017
  179    HD2  HIS  23           HD2      HIS  23   7.908 -11.621 -11.621
  180    HE1  HIS  23           HE1      HIS  23   8.344  -7.398  -7.398
  181    H    ILE  24           HN       ILE  24   5.498 -12.931 -12.931
  182    HA   ILE  24           HA       ILE  24   3.334 -11.821 -11.821
  183    HB   ILE  24           HB       ILE  24   2.574 -14.180 -14.180
  184   1HG1  ILE  24           HG1      ILE  24   4.683 -14.721 -14.721
  185   2HG1  ILE  24           HG1      ILE  24   4.846 -15.176 -15.176
  186   1HG2  ILE  24           HG2      ILE  24   2.717 -12.534 -12.534
  187   2HG2  ILE  24           HG2      ILE  24   2.180 -14.219 -14.219
  188   3HG2  ILE  24           HG2      ILE  24   1.310 -13.132 -13.132
  189   1HD1  ILE  24           HD1      ILE  24   2.551 -16.372 -16.372
  190   2HD1  ILE  24           HD1      ILE  24   2.815 -16.178 -16.178
  191   3HD1  ILE  24           HD1      ILE  24   3.968 -17.121 -17.121
  192    H    ALA  25           HN       ALA  25   3.008 -13.024 -13.024
  193    HA   ALA  25           HA       ALA  25   5.261 -12.554 -12.554
  194   1HB   ALA  25           HB2      ALA  25   2.633 -14.003 -14.003
  195   2HB   ALA  25           HB3      ALA  25   3.847 -13.872 -13.872
  196   3HB   ALA  25           HB1      ALA  25   3.128 -12.401 -12.401
  197    H    LYS  26           HN       LYS  26   3.903 -15.560 -15.560
  198    HA   LYS  26           HA       LYS  26   5.648 -17.317 -17.317
  199   1HB   LYS  26           HB2      LYS  26   3.527 -17.956 -17.956
  200   2HB   LYS  26           HB3      LYS  26   4.245 -17.622 -17.622
  201   1HG   LYS  26           HG2      LYS  26   6.117 -19.305 -19.305
  202   2HG   LYS  26           HG3      LYS  26   4.552 -19.983 -19.983
  203   1HD   LYS  26           HD2      LYS  26   3.931 -20.072 -20.072
  204   2HD   LYS  26           HD3      LYS  26   5.437 -19.293 -19.293
  205   1HE   LYS  26           HE2      LYS  26   5.270 -21.971 -21.971
  206   2HE   LYS  26           HE3      LYS  26   5.461 -21.814 -21.814
  207   1HZ   LYS  26           HZ1      LYS  26   7.516 -21.876 -21.876
  208   2HZ   LYS  26           HZ2      LYS  26   7.630 -21.254 -21.254
  209    H    ASN  27           HN       ASN  27   6.157 -14.940 -14.940
  210    HA   ASN  27           HA       ASN  27   8.638 -16.279 -16.279
  211   1HB   ASN  27           HB2      ASN  27   6.636 -14.880 -14.880
  212   2HB   ASN  27           HB3      ASN  27   8.104 -13.926 -13.926
  213   1HD2  ASN  27           HD2      ASN  27   9.512 -15.891 -15.891
  214   2HD2  ASN  27           HD2      ASN  27   9.238 -14.347 -14.347
  215    H    CYS  28           HN       CYS  28   7.909 -14.589 -14.589
  216    HA   CYS  28           HA       CYS  28   9.322 -12.125 -12.125
  217   1HB   CYS  28           HB2      CYS  28   7.304 -12.288 -12.288
  218   2HB   CYS  28           HB3      CYS  28   8.236 -13.268 -13.268
  219    H    ARG  29           HN       ARG  29  11.544 -12.145 -12.145
  220    HA   ARG  29           HA       ARG  29  12.913 -14.353 -14.353
  221   1HB   ARG  29           HB2      ARG  29  13.424 -12.497 -12.497
  222   2HB   ARG  29           HB3      ARG  29  14.589 -12.063 -12.063
  223   1HG   ARG  29           HG2      ARG  29  14.226 -14.976 -14.976
  224   2HG   ARG  29           HG3      ARG  29  15.196 -13.926 -13.926
  225   1HD   ARG  29           HD2      ARG  29  16.945 -14.080 -14.080
  226   2HD   ARG  29           HD3      ARG  29  15.960 -13.473 -13.473
  227    HE   ARG  29           HE       ARG  29  15.103 -16.051 -16.051
  228   1HH1  ARG  29           HH2      ARG  29  18.387 -14.722 -14.722
  229   2HH1  ARG  29           HH2      ARG  29  19.097 -16.116 -16.116
  230    HH2  ARG  29           HH1      ARG  29  17.697 -17.966 -17.966
  231    H    ALA  30           HN       ALA  30  11.480 -11.767 -11.767
  232    HA   ALA  30           HA       ALA  30  13.194 -10.288 -10.288
  233   1HB   ALA  30           HB1      ALA  30  10.571 -11.608 -11.608
  234   2HB   ALA  30           HB2      ALA  30  11.429 -10.670 -10.670
  235   3HB   ALA  30           HB3      ALA  30  10.935  -9.888  -9.888
  236    HA   PRO  31           HA       PRO  31  15.516 -13.532 -13.532
  237   1HB   PRO  31           HB2      PRO  31  17.822 -12.103 -12.103
  238   2HB   PRO  31           HB3      PRO  31  17.473 -13.042 -13.042
  239   1HG   PRO  31           HG2      PRO  31  17.388 -10.110 -10.110
  240   2HG   PRO  31           HG3      PRO  31  17.464 -11.030 -11.030
  241   1HD   PRO  31           HD2      PRO  31  15.153  -9.737  -9.737
  242   2HD   PRO  31           HD3      PRO  31  15.205 -10.753 -10.753
  243    H    ARG  32           HN       ARG  32  16.916 -13.644 -13.644
  244    HA   ARG  32           HA       ARG  32  16.962 -13.386 -13.386
  245   1HB   ARG  32           HB2      ARG  32  16.033 -10.544 -10.544
  246   2HB   ARG  32           HB3      ARG  32  16.489 -11.054 -11.054
  247   1HG   ARG  32           HG2      ARG  32  18.697 -11.920 -11.920
  248   2HG   ARG  32           HG3      ARG  32  18.224 -10.729 -10.729
  249   1HD   ARG  32           HD2      ARG  32  19.185  -9.132  -9.132
  250   2HD   ARG  32           HD3      ARG  32  17.922  -9.396  -9.396
  251    HE   ARG  32           HE       ARG  32  19.623 -11.419 -11.419
  252   1HH1  ARG  32           HH2      ARG  32  20.278  -8.001  -8.001
  253   2HH1  ARG  32           HH2      ARG  32  21.674  -7.941  -7.941
  254    HH2  ARG  32           HH1      ARG  32  22.354  -9.916  -9.916
  255    H    LYS  33           HN       LYS  33  15.435 -14.713 -14.713
  256    HA   LYS  33           HA       LYS  33  12.731 -14.635 -14.635
  257   1HB   LYS  33           HB2      LYS  33  12.572 -15.982 -15.982
  258   2HB   LYS  33           HB3      LYS  33  13.785 -16.558 -16.558
  259   1HG   LYS  33           HG2      LYS  33  15.573 -15.433 -15.433
  260   2HG   LYS  33           HG3      LYS  33  14.383 -14.749 -14.749
  261   1HD   LYS  33           HD2      LYS  33  14.681 -17.756 -17.756
  262   2HD   LYS  33           HD3      LYS  33  15.583 -16.883 -16.883
  263   1HE   LYS  33           HE2      LYS  33  13.268 -15.976 -15.976
  264   2HE   LYS  33           HE3      LYS  33  12.565 -17.230 -17.230
  265   1HZ   LYS  33           HZ1      LYS  33  12.890 -18.529 -18.529
  266   2HZ   LYS  33           HZ2      LYS  33  14.468 -18.573 -18.573
  267    H    LYS  34           HN       LYS  34  11.269 -13.059 -13.059
  268    HA   LYS  34           HA       LYS  34  11.681 -11.388 -11.388
  269   1HB   LYS  34           HB2      LYS  34  11.064 -10.674 -10.674
  270   2HB   LYS  34           HB3      LYS  34  10.238  -9.763  -9.763
  271   1HG   LYS  34           HG2      LYS  34  13.250 -10.214 -10.214
  272   2HG   LYS  34           HG3      LYS  34  12.539  -8.866  -8.866
  273   1HD   LYS  34           HD2      LYS  34  12.102  -7.712  -7.712
  274   2HD   LYS  34           HD3      LYS  34  11.439  -9.122  -9.122
  275   1HE   LYS  34           HE2      LYS  34  13.403  -8.539  -8.539
  276   2HE   LYS  34           HE3      LYS  34  13.848  -9.953  -9.953
  277   1HZ   LYS  34           HZ1      LYS  34  15.494  -8.099  -8.099
  278   2HZ   LYS  34           HZ2      LYS  34  14.966  -8.552  -8.552
  279    H    GLY  35           HN       GLY  35  10.460 -13.338 -13.338
  280   1HA   GLY  35           HA1      GLY  35   7.732 -13.711 -13.711
  281   2HA   GLY  35           HA2      GLY  35   8.549 -14.317 -14.317
  282    H    CYS  36           HN       CYS  36   5.843 -12.919 -12.919
  283    HA   CYS  36           HA       CYS  36   5.977 -10.360 -10.360
  284   1HB   CYS  36           HB2      CYS  36   4.059 -11.350 -11.350
  285   2HB   CYS  36           HB3      CYS  36   3.673 -12.313 -12.313
  286    H    TRP  37           HN       TRP  37   6.715  -9.835  -9.835
  287    HA   TRP  37           HA       TRP  37   6.682 -11.892 -11.892
  288   1HB   TRP  37           HB2      TRP  37   8.510  -9.958  -9.958
  289   2HB   TRP  37           HB3      TRP  37   7.758  -9.260  -9.260
  290    HD1  TRP  37           HD1      TRP  37   9.189  -9.850  -9.850
  291    HE1  TRP  37           HE1      TRP  37  10.575 -11.884 -11.884
  292    HE3  TRP  37           HE3      TRP  37   8.400 -12.924 -12.924
  293    HZ2  TRP  37           HZ2      TRP  37  11.172 -14.492 -14.492
  294    HZ3  TRP  37           HZ3      TRP  37   9.420 -15.198 -15.198
  295    HH2  TRP  37           HH2      TRP  37  10.765 -15.996 -15.996
  296    H    LYS  38           HN       LYS  38   4.308 -10.180 -10.180
  297    HA   LYS  38           HA       LYS  38   3.408  -9.008  -9.008
  298   1HB   LYS  38           HB2      LYS  38   3.528  -7.624  -7.624
  299   2HB   LYS  38           HB3      LYS  38   2.191  -8.590  -8.590
  300   1HG   LYS  38           HG2      LYS  38   0.752  -7.877  -7.877
  301   2HG   LYS  38           HG3      LYS  38   2.094  -7.142  -7.142
  302   1HD   LYS  38           HD2      LYS  38   1.541  -6.171  -6.171
  303   2HD   LYS  38           HD3      LYS  38   0.411  -5.699  -5.699
  304   1HE   LYS  38           HE2      LYS  38   1.899  -3.977  -3.977
  305   2HE   LYS  38           HE3      LYS  38   2.750  -5.161  -5.161
  306   1HZ   LYS  38           HZ1      LYS  38   4.285  -5.537  -5.537
  307   2HZ   LYS  38           HZ2      LYS  38   3.307  -5.022  -5.022
  308    H    CYS  39           HN       CYS  39   2.523 -11.270 -11.270
  309    HA   CYS  39           HA       CYS  39   0.371 -12.244 -12.244
  310   1HB   CYS  39           HB2      CYS  39  -0.493 -13.320 -13.320
  311   2HB   CYS  39           HB3      CYS  39  -0.543 -11.569 -11.569
  312    H    GLY  40           HN       GLY  40   3.450 -12.922 -12.922
  313   1HA   GLY  40           HA1      GLY  40   4.901 -14.595 -14.595
  314   2HA   GLY  40           HA2      GLY  40   3.559 -15.514 -15.514
  315    H    LYS  41           HN       LYS  41   3.018 -14.108 -14.108
  316    HA   LYS  41           HA       LYS  41   3.115 -16.783 -16.783
  317   1HB   LYS  41           HB2      LYS  41   1.287 -14.715 -14.715
  318   2HB   LYS  41           HB3      LYS  41   2.162 -14.586 -14.586
  319   1HG   LYS  41           HG2      LYS  41   0.847 -16.277 -16.277
  320   2HG   LYS  41           HG3      LYS  41   1.798 -17.345 -17.345
  321   1HD   LYS  41           HD2      LYS  41  -0.329 -17.827 -17.827
  322   2HD   LYS  41           HD3      LYS  41   0.124 -16.542 -16.542
  323   1HE   LYS  41           HE2      LYS  41  -1.654 -15.320 -15.320
  324   2HE   LYS  41           HE3      LYS  41  -0.981 -15.264 -15.264
  325   1HZ   LYS  41           HZ1      LYS  41  -2.637 -17.513 -17.513
  326   2HZ   LYS  41           HZ2      LYS  41  -3.209 -16.308 -16.308
  327    H    GLU  42           HN       GLU  42   4.992 -17.444 -17.444
  328    HA   GLU  42           HA       GLU  42   6.934 -15.517 -15.517
  329   1HB   GLU  42           HB2      GLU  42   8.277 -17.543 -17.543
  330   2HB   GLU  42           HB3      GLU  42   7.675 -17.599 -17.599
  331   1HG   GLU  42           HG2      GLU  42   6.430 -19.459 -19.459
  332   2HG   GLU  42           HG3      GLU  42   5.719 -18.752 -18.752
  333    HE2  GLU  42           HE2      GLU  42   8.061 -20.004 -20.004
  334    H    GLY  43           HN       GLY  43   6.116 -14.278 -14.278
  335   1HA   GLY  43           HA1      GLY  43   6.531 -15.266 -15.266
  336   2HA   GLY  43           HA2      GLY  43   4.815 -15.368 -15.368
  337    H    HIS  44           HN       HIS  44   3.969 -13.232 -13.232
  338    HA   HIS  44           HA       HIS  44   4.689 -11.074 -11.074
  339   1HB   HIS  44           HB2      HIS  44   2.668 -10.014 -10.014
  340   2HB   HIS  44           HB3      HIS  44   2.325 -11.681 -11.681
  341    HD1  HIS  44           HD1      HIS  44   1.330 -13.173 -13.173
  342    HD2  HIS  44           HD2      HIS  44   2.708  -9.498  -9.498
  343    HE1  HIS  44           HE1      HIS  44   0.520 -13.026 -13.026
  344    H    GLN  45           HN       GLN  45   4.922  -8.816  -8.816
  345    HA   GLN  45           HA       GLN  45   6.629  -9.054  -9.054
  346   1HB   GLN  45           HB2      GLN  45   6.380  -6.718  -6.718
  347   2HB   GLN  45           HB3      GLN  45   7.613  -6.925  -6.925
  348   1HG   GLN  45           HG2      GLN  45   8.403  -9.007  -9.007
  349   2HG   GLN  45           HG3      GLN  45   7.172  -8.794  -8.794
  350   1HE2  GLN  45           HE2      GLN  45   8.663  -5.896  -5.896
  351   2HE2  GLN  45           HE2      GLN  45   7.141  -6.581  -6.581
  352    H    MET  46           HN       MET  46   6.629  -6.815  -6.815
  353    HA   MET  46           HA       MET  46   4.187  -6.734  -6.734
  354   1HB   MET  46           HB2      MET  46   6.584  -4.835  -4.835
  355   2HB   MET  46           HB3      MET  46   5.221  -4.522  -4.522
  356   1HG   MET  46           HG2      MET  46   5.720  -6.296  -6.296
  357   2HG   MET  46           HG3      MET  46   6.348  -7.298  -7.298
  358   1HE   MET  46           HE1      MET  46   8.355  -6.932  -6.932
  359   2HE   MET  46           HE2      MET  46   8.771  -5.205  -5.205
  360   3HE   MET  46           HE3      MET  46   9.882  -6.339  -6.339
  361    H    LYS  47           HN       LYS  47   5.596  -4.622  -4.622
  362    HA   LYS  47           HA       LYS  47   3.535  -2.700  -2.700
  363   1HB   LYS  47           HB2      LYS  47   5.836  -2.354  -2.354
  364   2HB   LYS  47           HB3      LYS  47   5.409  -3.363  -3.363
  365   1HG   LYS  47           HG2      LYS  47   3.532  -1.109  -1.109
  366   2HG   LYS  47           HG3      LYS  47   5.083  -0.672  -0.672
  367   1HD   LYS  47           HD2      LYS  47   3.562  -2.906  -2.906
  368   2HD   LYS  47           HD3      LYS  47   2.945  -1.279  -1.279
  369   1HE   LYS  47           HE2      LYS  47   4.441  -1.531  -1.531
  370   2HE   LYS  47           HE3      LYS  47   5.380  -0.621  -0.621
  371   1HZ   LYS  47           HZ1      LYS  47   6.006  -3.118  -3.118
  372   2HZ   LYS  47           HZ2      LYS  47   6.854  -2.296  -2.296
  373    H    ASP  48           HN       ASP  48   3.709  -5.958  -5.958
  374    HA   ASP  48           HA       ASP  48   1.319  -5.448  -5.448
  375   1HB   ASP  48           HB2      ASP  48   3.711  -7.091  -7.091
  376   2HB   ASP  48           HB3      ASP  48   2.263  -8.072  -8.072
  377    HD2  ASP  48           HD2      ASP  48   1.167  -6.592  -6.592
  378    H    CYS  49           HN       CYS  49   1.835  -5.984  -5.984
  379    HA   CYS  49           HA       CYS  49   1.018  -8.599  -8.599
  380   1HB   CYS  49           HB2      CYS  49   2.184  -7.220  -7.220
  381   2HB   CYS  49           HB3      CYS  49   0.853  -6.082  -6.082
  382    H    THR  50           HN       THR  50  -0.920  -9.398  -9.398
  383    HA   THR  50           HA       THR  50  -3.129  -7.703  -7.703
  384    HB   THR  50           HB       THR  50  -2.496  -9.873  -9.873
  385    HG1  THR  50           HG1      THR  50  -4.644  -9.354  -9.354
  386   1HG2  THR  50           HG2      THR  50  -3.245 -10.928 -10.928
  387   2HG2  THR  50           HG2      THR  50  -3.794 -11.845 -11.845
  388   3HG2  THR  50           HG2      THR  50  -2.056 -11.562 -11.562
  389    H    GLU  51           HN       GLU  51  -1.856  -8.776  -8.776
  390    HA   GLU  51           HA       GLU  51  -4.345  -9.279  -9.279
  391   1HB   GLU  51           HB2      GLU  51  -1.715  -9.869  -9.869
  392   2HB   GLU  51           HB3      GLU  51  -2.009  -8.541  -8.541
  393   1HG   GLU  51           HG2      GLU  51  -3.757 -11.036 -11.036
  394   2HG   GLU  51           HG3      GLU  51  -2.563 -10.764 -10.764
  395    HE2  GLU  51           HE2      GLU  51  -6.148  -9.600  -9.600
  396    H    ARG  52           HN       ARG  52  -1.864  -6.623  -6.623
  397    HA   ARG  52           HA       ARG  52  -3.075  -4.999  -4.999
  398   1HB   ARG  52           HB2      ARG  52  -0.880  -4.644  -4.644
  399   2HB   ARG  52           HB3      ARG  52  -1.841  -3.998  -3.998
  400   1HG   ARG  52           HG2      ARG  52  -2.485  -2.811  -2.811
  401   2HG   ARG  52           HG3      ARG  52  -0.840  -2.514  -2.514
  402   1HD   ARG  52           HD2      ARG  52  -2.149  -1.975  -1.975
  403   2HD   ARG  52           HD3      ARG  52  -3.418  -1.562  -1.562
  404    HE   ARG  52           HE       ARG  52  -1.124  -0.333  -0.333
  405   1HH1  ARG  52           HH2      ARG  52  -2.919  -0.174  -0.174
  406   2HH1  ARG  52           HH2      ARG  52  -2.472   1.469   1.469
  407    HH2  ARG  52           HH1      ARG  52  -1.070   2.629   2.629
  408    H    GLN  53           HN       GLN  53  -3.702  -5.151  -5.151
  409    HA   GLN  53           HA       GLN  53  -5.742  -3.203  -3.203
  410   1HB   GLN  53           HB2      GLN  53  -6.181  -3.930  -3.930
  411   2HB   GLN  53           HB3      GLN  53  -4.546  -3.390  -3.390
  412   1HG   GLN  53           HG2      GLN  53  -3.714  -5.393  -5.393
  413   2HG   GLN  53           HG3      GLN  53  -4.665  -6.220  -6.220
  414   1HE2  GLN  53           HE2      GLN  53  -6.192  -5.698  -5.698
  415   2HE2  GLN  53           HE2      GLN  53  -5.091  -4.561  -4.561
  416    H    ALA  54           HN       ALA  54  -5.536  -6.730  -6.730
  417    HA   ALA  54           HA       ALA  54  -7.053  -8.310  -8.310
  418   1HB   ALA  54           HB3      ALA  54  -7.352  -6.564  -6.564
  419   2HB   ALA  54           HB1      ALA  54  -8.927  -6.269  -6.269
  420   3HB   ALA  54           HB2      ALA  54  -8.513  -7.899  -7.899
  421    H    ASN  55           HN       ASN  55  -7.216  -8.169  -8.169
  422    HA   ASN  55           HA       ASN  55  -8.363  -8.005  -8.005
  423   1HB   ASN  55           HB2      ASN  55 -10.517  -9.181  -9.181
  424   2HB   ASN  55           HB3      ASN  55  -9.461  -9.955  -9.955
  425   1HD2  ASN  55           HD2      ASN  55 -12.815  -7.850  -7.850
  426   2HD2  ASN  55           HD2      ASN  55 -12.154  -7.763  -7.763

  Start of MODEL    8
    1    H    MET   1           HN       MET   1   1.884   0.000   0.000
    2    HA   MET   1           HA       MET   1   3.037   0.450   0.450
    3   1HB   MET   1           HB2      MET   1   2.683  -1.434  -1.434
    4   2HB   MET   1           HB3      MET   1   2.922  -1.977  -1.977
    5   1HG   MET   1           HG2      MET   1   0.475  -2.234  -2.234
    6   2HG   MET   1           HG3      MET   1   0.179  -1.587  -1.587
    7   1HE   MET   1           HE3      MET   1   2.763  -4.011  -4.011
    8   2HE   MET   1           HE1      MET   1   1.212  -4.722  -4.722
    9   3HE   MET   1           HE2      MET   1   2.255  -5.591  -5.591
   10    H    GLN   2           HN       GLN   2   1.721   2.567   2.567
   11    HA   GLN   2           HA       GLN   2   1.141   4.017   4.017
   12   1HB   GLN   2           HB2      GLN   2   1.918   2.166   2.166
   13   2HB   GLN   2           HB3      GLN   2   0.205   1.872   1.872
   14   1HG   GLN   2           HG2      GLN   2  -0.084   3.783   3.783
   15   2HG   GLN   2           HG3      GLN   2   0.823   4.749   4.749
   16   1HE2  GLN   2           HE2      GLN   2   3.937   4.544   4.544
   17   2HE2  GLN   2           HE2      GLN   2   3.087   4.869   4.869
   18    H    LYS   3           HN       LYS   3  -0.647   1.756   1.756
   19    HA   LYS   3           HA       LYS   3  -3.219   2.031   2.031
   20   1HB   LYS   3           HB2      LYS   3  -3.948   1.048   1.048
   21   2HB   LYS   3           HB3      LYS   3  -2.381   0.345   0.345
   22   1HG   LYS   3           HG2      LYS   3  -1.489   1.175   1.175
   23   2HG   LYS   3           HG3      LYS   3  -2.063   2.793   2.793
   24   1HD   LYS   3           HD2      LYS   3  -3.234   2.273   2.273
   25   2HD   LYS   3           HD3      LYS   3  -4.416   1.899   1.899
   26   1HE   LYS   3           HE2      LYS   3  -3.362  -0.531  -0.531
   27   2HE   LYS   3           HE3      LYS   3  -2.731  -0.019  -0.019
   28   1HZ   LYS   3           HZ1      LYS   3  -5.154  -1.054  -1.054
   29   2HZ   LYS   3           HZ2      LYS   3  -4.821   0.036   0.036
   30    H    GLY   4           HN       GLY   4  -4.664   2.980   2.980
   31   1HA   GLY   4           HA1      GLY   4  -5.072   5.626   5.626
   32   2HA   GLY   4           HA2      GLY   4  -5.523   4.880   4.880
   33    H    ASN   5           HN       ASN   5  -4.485   5.505   5.505
   34    HA   ASN   5           HA       ASN   5  -2.618   7.611   7.611
   35   1HB   ASN   5           HB2      ASN   5  -2.567   7.355   7.355
   36   2HB   ASN   5           HB3      ASN   5  -4.134   7.709   7.709
   37   1HD2  ASN   5           HD2      ASN   5  -5.567   5.055   5.055
   38   2HD2  ASN   5           HD2      ASN   5  -5.556   6.729   6.729
   39    H    PHE   6           HN       PHE   6  -1.174   5.900   5.900
   40    HA   PHE   6           HA       PHE   6   0.762   4.848   4.848
   41   1HB   PHE   6           HB2      PHE   6   0.957   6.468   6.468
   42   2HB   PHE   6           HB3      PHE   6   1.195   4.899   4.899
   43    HD1  PHE   6           HD2      PHE   6   2.808   3.399   3.399
   44    HD2  PHE   6           HD1      PHE   6   2.972   7.554   7.554
   45    HE1  PHE   6           HE2      PHE   6   5.223   3.442   3.442
   46    HE2  PHE   6           HE1      PHE   6   5.387   7.597   7.597
   47   1HZ   PHE   6           HZ       PHE   6   6.484   5.540   5.540
   48    H    ARG   7           HN       ARG   7  -0.468   3.930   3.930
   49    HA   ARG   7           HA       ARG   7  -1.532   1.554   1.554
   50   1HB   ARG   7           HB2      ARG   7   0.367  -0.041  -0.041
   51   2HB   ARG   7           HB3      ARG   7   0.503   0.626   0.626
   52   1HG   ARG   7           HG2      ARG   7   1.853   2.567   2.567
   53   2HG   ARG   7           HG3      ARG   7   2.056   1.360   1.360
   54   1HD   ARG   7           HD2      ARG   7   2.626   0.534   0.534
   55   2HD   ARG   7           HD3      ARG   7   3.791   1.573   1.573
   56    HE   ARG   7           HE       ARG   7   3.322  -0.404  -0.404
   57   1HH1  ARG   7           HH2      ARG   7   4.300  -0.455  -0.455
   58   2HH1  ARG   7           HH2      ARG   7   5.198  -1.929  -1.929
   59    HH2  ARG   7           HH1      ARG   7   5.304  -3.025  -3.025
   60    H    ASN   8           HN       ASN   8  -2.223   3.428   3.428
   61    HA   ASN   8           HA       ASN   8  -1.610   2.102   2.102
   62   1HB   ASN   8           HB2      ASN   8  -1.584   4.301   4.301
   63   2HB   ASN   8           HB3      ASN   8  -0.368   4.277   4.277
   64   1HD2  ASN   8           HD2      ASN   8  -3.804   6.562   6.562
   65   2HD2  ASN   8           HD2      ASN   8  -3.707   5.205   5.205
   66    H    GLN   9           HN       GLN   9  -3.394   2.691   2.691
   67    HA   GLN   9           HA       GLN   9  -5.478   2.718   2.718
   68   1HB   GLN   9           HB2      GLN   9  -5.494   5.041   5.041
   69   2HB   GLN   9           HB3      GLN   9  -5.820   4.540   4.540
   70   1HG   GLN   9           HG2      GLN   9  -8.022   3.655   3.655
   71   2HG   GLN   9           HG3      GLN   9  -7.691   3.941   3.941
   72   1HE2  GLN   9           HE2      GLN   9  -8.907   7.167   7.167
   73   2HE2  GLN   9           HE2      GLN   9  -8.492   5.700   5.700
   74    H    ARG  10           HN       ARG  10  -7.421   1.494   1.494
   75    HA   ARG  10           HA       ARG  10  -8.848   0.129   0.129
   76   1HB   ARG  10           HB2      ARG  10  -8.277   1.619   1.619
   77   2HB   ARG  10           HB3      ARG  10  -7.597   0.098   0.098
   78   1HG   ARG  10           HG2      ARG  10  -9.955  -0.848  -0.848
   79   2HG   ARG  10           HG3      ARG  10 -10.463   0.794   0.794
   80   1HD   ARG  10           HD2      ARG  10  -9.606   0.567   0.567
   81   2HD   ARG  10           HD3      ARG  10  -9.108  -1.078  -1.078
   82    HE   ARG  10           HE       ARG  10 -11.877  -0.794  -0.794
   83   1HH1  ARG  10           HH2      ARG  10 -11.034  -1.554  -1.554
   84   2HH1  ARG  10           HH2      ARG  10  -9.791  -0.925  -0.925
   85    HH2  ARG  10           HH1      ARG  10 -13.216  -1.956  -1.956
   86    H    LYS  11           HN       LYS  11  -5.691  -0.330  -0.330
   87    HA   LYS  11           HA       LYS  11  -4.263  -2.018  -2.018
   88   1HB   LYS  11           HB2      LYS  11  -4.957  -2.009  -2.009
   89   2HB   LYS  11           HB3      LYS  11  -5.627  -3.572  -3.572
   90   1HG   LYS  11           HG2      LYS  11  -3.486  -4.296  -4.296
   91   2HG   LYS  11           HG3      LYS  11  -3.212  -3.814  -3.814
   92   1HD   LYS  11           HD2      LYS  11  -2.888  -1.789  -1.789
   93   2HD   LYS  11           HD3      LYS  11  -1.599  -2.926  -2.926
   94   1HE   LYS  11           HE2      LYS  11  -0.906  -1.424  -1.424
   95   2HE   LYS  11           HE3      LYS  11  -2.235  -2.014  -2.014
   96   1HZ   LYS  11           HZ1      LYS  11  -2.501   0.326   0.326
   97   2HZ   LYS  11           HZ2      LYS  11  -3.631  -0.269  -0.269
   98    H    THR  12           HN       THR  12  -7.378  -3.642  -3.642
   99    HA   THR  12           HA       THR  12  -8.575  -5.212  -5.212
  100    HB   THR  12           HB       THR  12  -7.477  -3.638  -3.638
  101    HG1  THR  12           HG1      THR  12 -10.097  -4.073  -4.073
  102   1HG2  THR  12           HG2      THR  12  -8.327  -6.194  -6.194
  103   2HG2  THR  12           HG2      THR  12  -9.910  -5.391  -5.391
  104   3HG2  THR  12           HG2      THR  12  -8.750  -4.874  -4.874
  105    H    VAL  13           HN       VAL  13  -8.501  -7.355  -7.355
  106    HA   VAL  13           HA       VAL  13  -5.901  -8.285  -8.285
  107    HB   VAL  13           HB       VAL  13  -5.955 -10.120 -10.120
  108   1HG1  VAL  13           HG1      VAL  13  -4.685  -7.872  -7.872
  109   2HG1  VAL  13           HG1      VAL  13  -5.894  -7.488  -7.488
  110   3HG1  VAL  13           HG1      VAL  13  -4.841  -8.910  -8.910
  111   1HG2  VAL  13           HG2      VAL  13  -8.370 -10.002 -10.002
  112   2HG2  VAL  13           HG2      VAL  13  -7.345  -9.940  -9.940
  113   3HG2  VAL  13           HG2      VAL  13  -8.094  -8.451  -8.451
  114    H    LYS  14           HN       LYS  14  -6.032 -10.457 -10.457
  115    HA   LYS  14           HA       LYS  14  -8.795 -11.139 -11.139
  116   1HB   LYS  14           HB2      LYS  14  -8.071 -11.600 -11.600
  117   2HB   LYS  14           HB3      LYS  14  -7.701  -9.940  -9.940
  118   1HG   LYS  14           HG2      LYS  14  -5.522 -10.301 -10.301
  119   2HG   LYS  14           HG3      LYS  14  -5.425 -11.488 -11.488
  120   1HD   LYS  14           HD2      LYS  14  -5.074 -13.053 -13.053
  121   2HD   LYS  14           HD3      LYS  14  -6.762 -12.872 -12.872
  122   1HE   LYS  14           HE2      LYS  14  -4.907 -10.804 -10.804
  123   2HE   LYS  14           HE3      LYS  14  -4.692 -12.430 -12.430
  124   1HZ   LYS  14           HZ1      LYS  14  -7.325 -11.057 -11.057
  125   2HZ   LYS  14           HZ2      LYS  14  -6.365 -11.098 -11.098
  126    H    CYS  15           HN       CYS  15  -9.293 -13.349 -13.349
  127    HA   CYS  15           HA       CYS  15  -7.600 -14.984 -14.984
  128   1HB   CYS  15           HB2      CYS  15 -10.055 -15.107 -15.107
  129   2HB   CYS  15           HB3      CYS  15 -10.090 -15.685 -15.685
  130    H    PHE  16           HN       PHE  16  -5.793 -16.002 -16.002
  131    HA   PHE  16           HA       PHE  16  -5.535 -16.325 -16.325
  132   1HB   PHE  16           HB2      PHE  16  -3.784 -15.527 -15.527
  133   2HB   PHE  16           HB3      PHE  16  -3.662 -17.220 -17.220
  134    HD1  PHE  16           HD2      PHE  16  -3.214 -14.859 -14.859
  135    HD2  PHE  16           HD1      PHE  16  -2.279 -18.674 -18.674
  136    HE1  PHE  16           HE2      PHE  16  -1.507 -15.200 -15.200
  137    HE2  PHE  16           HE1      PHE  16  -0.571 -19.016 -19.016
  138   1HZ   PHE  16           HZ       PHE  16  -0.206 -17.274 -17.274
  139    H    ASN  17           HN       ASN  17  -7.337 -18.012 -18.012
  140    HA   ASN  17           HA       ASN  17  -6.223 -20.597 -20.597
  141   1HB   ASN  17           HB2      ASN  17  -6.871 -20.043 -20.043
  142   2HB   ASN  17           HB3      ASN  17  -8.542 -20.005 -20.005
  143   1HD2  ASN  17           HD2      ASN  17  -7.817 -23.371 -23.371
  144   2HD2  ASN  17           HD2      ASN  17  -7.790 -21.732 -21.732
  145    H    CYS  18           HN       CYS  18  -9.255 -18.599 -18.599
  146    HA   CYS  18           HA       CYS  18 -10.438 -20.453 -20.453
  147   1HB   CYS  18           HB2      CYS  18 -12.575 -19.343 -19.343
  148   2HB   CYS  18           HB3      CYS  18 -11.821 -20.162 -20.162
  149    H    GLY  19           HN       GLY  19  -9.233 -17.164 -17.164
  150   1HA   GLY  19           HA1      GLY  19  -8.444 -15.815 -15.815
  151   2HA   GLY  19           HA2      GLY  19  -9.566 -16.572 -16.572
  152    H    LYS  20           HN       LYS  20 -11.464 -16.239 -16.239
  153    HA   LYS  20           HA       LYS  20 -12.811 -13.984 -13.984
  154   1HB   LYS  20           HB2      LYS  20 -13.564 -16.156 -16.156
  155   2HB   LYS  20           HB3      LYS  20 -13.508 -14.946 -14.946
  156   1HG   LYS  20           HG2      LYS  20 -14.821 -13.462 -13.462
  157   2HG   LYS  20           HG3      LYS  20 -15.242 -15.026 -15.026
  158   1HD   LYS  20           HD2      LYS  20 -15.553 -14.783 -14.783
  159   2HD   LYS  20           HD3      LYS  20 -16.641 -13.789 -13.789
  160   1HE   LYS  20           HE2      LYS  20 -16.264 -16.734 -16.734
  161   2HE   LYS  20           HE3      LYS  20 -17.379 -16.234 -16.234
  162   1HZ   LYS  20           HZ1      LYS  20 -17.779 -16.144 -16.144
  163   2HZ   LYS  20           HZ2      LYS  20 -18.848 -15.772 -15.772
  164    H    GLU  21           HN       GLU  21 -12.415 -11.870 -11.870
  165    HA   GLU  21           HA       GLU  21 -10.392 -11.172 -11.172
  166   1HB   GLU  21           HB2      GLU  21 -10.914  -8.826  -8.826
  167   2HB   GLU  21           HB3      GLU  21 -10.561  -9.936  -9.936
  168   1HG   GLU  21           HG2      GLU  21 -12.769  -9.977  -9.977
  169   2HG   GLU  21           HG3      GLU  21 -13.442  -9.681  -9.681
  170    HE1  GLU  21           HE2      GLU  21 -13.759  -6.797  -6.797
  171    H    GLY  22           HN       GLY  22 -10.561 -10.284 -10.284
  172   1HA   GLY  22           HA1      GLY  22 -12.259  -8.803  -8.803
  173   2HA   GLY  22           HA2      GLY  22 -13.273 -10.226 -10.226
  174    H    HIS  23           HN       HIS  23 -11.476 -12.347 -12.347
  175    HA   HIS  23           HA       HIS  23 -10.457 -11.799 -11.799
  176   1HB   HIS  23           HB2      HIS  23 -10.986 -14.111 -14.111
  177   2HB   HIS  23           HB3      HIS  23 -12.417 -13.231 -13.231
  178    HD1  HIS  23           HD1      HIS  23 -13.397 -13.811 -13.811
  179    HD2  HIS  23           HD2      HIS  23 -10.345 -16.340 -16.340
  180    HE1  HIS  23           HE1      HIS  23 -13.466 -15.886 -15.886
  181    H    ILE  24           HN       ILE  24  -8.816 -13.803 -13.803
  182    HA   ILE  24           HA       ILE  24  -6.896 -13.745 -13.745
  183    HB   ILE  24           HB       ILE  24  -5.316 -14.339 -14.339
  184   1HG1  ILE  24           HG1      ILE  24  -7.280 -12.717 -12.717
  185   2HG1  ILE  24           HG1      ILE  24  -7.479 -14.455 -14.455
  186   1HG2  ILE  24           HG2      ILE  24  -6.439 -11.651 -11.651
  187   2HG2  ILE  24           HG2      ILE  24  -5.158 -11.802 -11.802
  188   3HG2  ILE  24           HG2      ILE  24  -4.877 -12.387 -12.387
  189   1HD1  ILE  24           HD1      ILE  24  -4.707 -14.054 -14.054
  190   2HD1  ILE  24           HD1      ILE  24  -5.549 -12.909 -12.909
  191   3HD1  ILE  24           HD1      ILE  24  -5.917 -14.649 -14.649
  192    H    ALA  25           HN       ALA  25  -5.506 -15.713 -15.713
  193    HA   ALA  25           HA       ALA  25  -7.092 -17.979 -17.979
  194   1HB   ALA  25           HB2      ALA  25  -4.153 -17.339 -17.339
  195   2HB   ALA  25           HB3      ALA  25  -4.669 -19.042 -19.042
  196   3HB   ALA  25           HB1      ALA  25  -5.243 -17.908 -17.908
  197    H    LYS  26           HN       LYS  26  -4.780 -16.965 -16.965
  198    HA   LYS  26           HA       LYS  26  -4.868 -19.364 -19.364
  199   1HB   LYS  26           HB2      LYS  26  -3.177 -17.527 -17.527
  200   2HB   LYS  26           HB3      LYS  26  -4.379 -16.570 -16.570
  201   1HG   LYS  26           HG2      LYS  26  -3.936 -19.375 -19.375
  202   2HG   LYS  26           HG3      LYS  26  -2.658 -18.216 -18.216
  203   1HD   LYS  26           HD2      LYS  26  -5.517 -17.441 -17.441
  204   2HD   LYS  26           HD3      LYS  26  -4.667 -18.501 -18.501
  205   1HE   LYS  26           HE2      LYS  26  -3.343 -15.937 -15.937
  206   2HE   LYS  26           HE3      LYS  26  -4.538 -15.880 -15.880
  207   1HZ   LYS  26           HZ1      LYS  26  -1.882 -17.092 -17.092
  208   2HZ   LYS  26           HZ2      LYS  26  -2.668 -16.297 -16.297
  209    H    ASN  27           HN       ASN  27  -7.211 -16.817 -16.817
  210    HA   ASN  27           HA       ASN  27  -8.730 -17.931 -17.931
  211   1HB   ASN  27           HB2      ASN  27  -8.083 -15.383 -15.383
  212   2HB   ASN  27           HB3      ASN  27  -9.275 -15.242 -15.242
  213   1HD2  ASN  27           HD2      ASN  27 -12.010 -15.079 -15.079
  214   2HD2  ASN  27           HD2      ASN  27 -11.277 -14.837 -14.837
  215    H    CYS  28           HN       CYS  28  -8.526 -19.114 -19.114
  216    HA   CYS  28           HA       CYS  28 -10.788 -18.258 -18.258
  217   1HB   CYS  28           HB2      CYS  28  -8.826 -19.160 -19.160
  218   2HB   CYS  28           HB3      CYS  28  -8.985 -20.684 -20.684
  219    H    ARG  29           HN       ARG  29 -12.888 -18.879 -18.879
  220    HA   ARG  29           HA       ARG  29 -13.224 -21.132 -21.132
  221   1HB   ARG  29           HB2      ARG  29 -15.467 -20.173 -20.173
  222   2HB   ARG  29           HB3      ARG  29 -14.214 -18.980 -18.980
  223   1HG   ARG  29           HG2      ARG  29 -15.087 -18.876 -18.876
  224   2HG   ARG  29           HG3      ARG  29 -16.473 -18.747 -18.747
  225   1HD   ARG  29           HD2      ARG  29 -13.980 -17.087 -17.087
  226   2HD   ARG  29           HD3      ARG  29 -15.164 -16.558 -16.558
  227    HE   ARG  29           HE       ARG  29 -16.533 -17.266 -17.266
  228   1HH1  ARG  29           HH2      ARG  29 -14.370 -14.757 -14.757
  229   2HH1  ARG  29           HH2      ARG  29 -14.951 -13.538 -13.538
  230    HH2  ARG  29           HH1      ARG  29 -16.673 -14.089 -14.089
  231    H    ALA  30           HN       ALA  30 -13.148 -20.485 -20.485
  232    HA   ALA  30           HA       ALA  30 -14.215 -21.221 -21.221
  233   1HB   ALA  30           HB3      ALA  30 -13.701 -23.555 -23.555
  234   2HB   ALA  30           HB1      ALA  30 -14.635 -23.845 -23.845
  235   3HB   ALA  30           HB2      ALA  30 -12.994 -23.164 -23.164
  236    HA   PRO  31           HA       PRO  31 -18.425 -20.876 -20.876
  237   1HB   PRO  31           HB2      PRO  31 -19.193 -18.785 -18.785
  238   2HB   PRO  31           HB3      PRO  31 -18.556 -18.578 -18.578
  239   1HG   PRO  31           HG2      PRO  31 -17.225 -18.083 -18.083
  240   2HG   PRO  31           HG3      PRO  31 -16.782 -17.496 -17.496
  241   1HD   PRO  31           HD2      PRO  31 -15.527 -19.627 -19.627
  242   2HD   PRO  31           HD3      PRO  31 -15.161 -19.116 -19.116
  243    H    ARG  32           HN       ARG  32 -17.301 -20.715 -20.715
  244    HA   ARG  32           HA       ARG  32 -17.885 -21.872 -21.872
  245   1HB   ARG  32           HB2      ARG  32 -18.157 -23.813 -23.813
  246   2HB   ARG  32           HB3      ARG  32 -19.870 -23.448 -23.448
  247   1HG   ARG  32           HG2      ARG  32 -19.533 -23.570 -23.570
  248   2HG   ARG  32           HG3      ARG  32 -18.232 -24.641 -24.641
  249   1HD   ARG  32           HD2      ARG  32 -20.910 -25.045 -25.045
  250   2HD   ARG  32           HD3      ARG  32 -20.763 -25.526 -25.526
  251    HE   ARG  32           HE       ARG  32 -19.689 -26.944 -26.944
  252   1HH1  ARG  32           HH2      ARG  32 -18.735 -25.956 -25.956
  253   2HH1  ARG  32           HH2      ARG  32 -17.640 -27.281 -27.281
  254    HH2  ARG  32           HH1      ARG  32 -17.368 -28.877 -28.877
  255    H    LYS  33           HN       LYS  33 -20.867 -21.551 -21.551
  256    HA   LYS  33           HA       LYS  33 -22.716 -21.232 -21.232
  257   1HB   LYS  33           HB2      LYS  33 -24.115 -20.245 -20.245
  258   2HB   LYS  33           HB3      LYS  33 -23.107 -21.424 -21.424
  259   1HG   LYS  33           HG2      LYS  33 -21.487 -19.359 -19.359
  260   2HG   LYS  33           HG3      LYS  33 -22.916 -18.400 -18.400
  261   1HD   LYS  33           HD2      LYS  33 -23.422 -20.639 -20.639
  262   2HD   LYS  33           HD3      LYS  33 -22.239 -19.492 -19.492
  263   1HE   LYS  33           HE2      LYS  33 -23.957 -17.647 -17.647
  264   2HE   LYS  33           HE3      LYS  33 -25.119 -18.954 -18.954
  265   1HZ   LYS  33           HZ1      LYS  33 -24.026 -19.422 -19.422
  266   2HZ   LYS  33           HZ2      LYS  33 -23.900 -17.799 -17.799
  267    H    LYS  34           HN       LYS  34 -23.923 -19.110 -19.110
  268    HA   LYS  34           HA       LYS  34 -23.847 -17.286 -17.286
  269   1HB   LYS  34           HB2      LYS  34 -23.016 -15.322 -15.322
  270   2HB   LYS  34           HB3      LYS  34 -23.601 -16.380 -16.380
  271   1HG   LYS  34           HG2      LYS  34 -21.423 -16.942 -16.942
  272   2HG   LYS  34           HG3      LYS  34 -20.689 -16.542 -16.542
  273   1HD   LYS  34           HD2      LYS  34 -20.056 -14.652 -14.652
  274   2HD   LYS  34           HD3      LYS  34 -21.608 -14.083 -14.083
  275   1HE   LYS  34           HE2      LYS  34 -21.478 -15.586 -15.586
  276   2HE   LYS  34           HE3      LYS  34 -20.999 -13.901 -13.901
  277   1HZ   LYS  34           HZ1      LYS  34 -23.563 -14.672 -14.672
  278   2HZ   LYS  34           HZ2      LYS  34 -23.483 -14.512 -14.512
  279    H    GLY  35           HN       GLY  35 -22.146 -15.545 -15.545
  280   1HA   GLY  35           HA1      GLY  35 -19.578 -16.632 -16.632
  281   2HA   GLY  35           HA2      GLY  35 -20.734 -16.906 -16.906
  282    H    CYS  36           HN       CYS  36 -20.747 -15.356 -15.356
  283    HA   CYS  36           HA       CYS  36 -19.296 -13.108 -13.108
  284   1HB   CYS  36           HB2      CYS  36 -20.453 -14.042 -14.042
  285   2HB   CYS  36           HB3      CYS  36 -21.993 -13.488 -13.488
  286    H    TRP  37           HN       TRP  37 -19.289 -11.264 -11.264
  287    HA   TRP  37           HA       TRP  37 -21.621 -10.736 -10.736
  288   1HB   TRP  37           HB2      TRP  37 -19.214 -10.801 -10.801
  289   2HB   TRP  37           HB3      TRP  37 -18.984  -9.274  -9.274
  290    HD1  TRP  37           HD1      TRP  37 -19.969  -7.097  -7.097
  291    HE1  TRP  37           HE1      TRP  37 -21.111  -6.548  -6.548
  292    HE3  TRP  37           HE3      TRP  37 -20.847 -11.931 -11.931
  293    HZ2  TRP  37           HZ2      TRP  37 -22.229  -8.161  -8.161
  294    HZ3  TRP  37           HZ3      TRP  37 -21.969 -12.357 -12.357
  295    HH2  TRP  37           HH2      TRP  37 -22.653 -10.567 -10.567
  296    H    LYS  38           HN       LYS  38 -21.159 -10.295 -10.295
  297    HA   LYS  38           HA       LYS  38 -21.772  -7.428  -7.428
  298   1HB   LYS  38           HB2      LYS  38 -19.808  -8.416  -8.416
  299   2HB   LYS  38           HB3      LYS  38 -21.026  -9.096  -9.096
  300   1HG   LYS  38           HG2      LYS  38 -20.645  -7.039  -7.039
  301   2HG   LYS  38           HG3      LYS  38 -22.012  -6.636  -6.636
  302   1HD   LYS  38           HD2      LYS  38 -20.723  -4.962  -4.962
  303   2HD   LYS  38           HD3      LYS  38 -19.850  -6.207  -6.207
  304   1HE   LYS  38           HE2      LYS  38 -19.141  -5.262  -5.262
  305   2HE   LYS  38           HE3      LYS  38 -18.356  -4.688  -4.688
  306   1HZ   LYS  38           HZ1      LYS  38 -18.466  -7.588  -7.588
  307   2HZ   LYS  38           HZ2      LYS  38 -17.404  -6.740  -6.740
  308    H    CYS  39           HN       CYS  39 -22.820 -10.660 -10.660
  309    HA   CYS  39           HA       CYS  39 -25.404  -9.430  -9.430
  310   1HB   CYS  39           HB2      CYS  39 -25.798 -11.509 -11.509
  311   2HB   CYS  39           HB3      CYS  39 -24.564 -10.424 -10.424
  312    H    GLY  40           HN       GLY  40 -23.589 -11.683 -11.683
  313   1HA   GLY  40           HA1      GLY  40 -24.320 -12.480 -12.480
  314   2HA   GLY  40           HA2      GLY  40 -25.987 -12.200 -12.200
  315    H    LYS  41           HN       LYS  41 -24.035 -13.713 -13.713
  316    HA   LYS  41           HA       LYS  41 -25.591 -16.110 -16.110
  317   1HB   LYS  41           HB2      LYS  41 -24.717 -14.779 -14.779
  318   2HB   LYS  41           HB3      LYS  41 -23.326 -15.827 -15.827
  319   1HG   LYS  41           HG2      LYS  41 -25.866 -17.299 -17.299
  320   2HG   LYS  41           HG3      LYS  41 -25.750 -16.496 -16.496
  321   1HD   LYS  41           HD2      LYS  41 -23.257 -17.525 -17.525
  322   2HD   LYS  41           HD3      LYS  41 -24.010 -18.673 -18.673
  323   1HE   LYS  41           HE2      LYS  41 -25.560 -19.424 -19.424
  324   2HE   LYS  41           HE3      LYS  41 -25.312 -18.009 -18.009
  325   1HZ   LYS  41           HZ1      LYS  41 -24.096 -19.833 -19.833
  326   2HZ   LYS  41           HZ2      LYS  41 -22.981 -18.815 -18.815
  327    H    GLU  42           HN       GLU  42 -25.092 -17.698 -17.698
  328    HA   GLU  42           HA       GLU  42 -22.506 -17.783 -17.783
  329   1HB   GLU  42           HB2      GLU  42 -23.389 -19.554 -19.554
  330   2HB   GLU  42           HB3      GLU  42 -24.654 -18.355 -18.355
  331   1HG   GLU  42           HG2      GLU  42 -25.226 -19.944 -19.944
  332   2HG   GLU  42           HG3      GLU  42 -24.503 -21.139 -21.139
  333    HE2  GLU  42           HE2      GLU  42 -28.180 -20.108 -20.108
  334    H    GLY  43           HN       GLY  43 -21.756 -17.976 -17.976
  335   1HA   GLY  43           HA1      GLY  43 -20.907 -20.750 -20.750
  336   2HA   GLY  43           HA2      GLY  43 -21.870 -20.092 -20.092
  337    H    HIS  44           HN       HIS  44 -21.105 -17.999 -17.999
  338    HA   HIS  44           HA       HIS  44 -18.312 -18.228 -18.228
  339   1HB   HIS  44           HB2      HIS  44 -18.663 -16.663 -16.663
  340   2HB   HIS  44           HB3      HIS  44 -20.074 -17.702 -17.702
  341    HD1  HIS  44           HD1      HIS  44 -22.193 -16.433 -16.433
  342    HD2  HIS  44           HD2      HIS  44 -19.291 -14.177 -14.177
  343    HE1  HIS  44           HE1      HIS  44 -23.249 -14.156 -14.156
  344    H    GLN  45           HN       GLN  45 -16.784 -16.351 -16.351
  345    HA   GLN  45           HA       GLN  45 -17.349 -14.920 -14.920
  346   1HB   GLN  45           HB2      GLN  45 -14.688 -15.550 -15.550
  347   2HB   GLN  45           HB3      GLN  45 -14.856 -14.643 -14.643
  348   1HG   GLN  45           HG2      GLN  45 -16.367 -16.929 -16.929
  349   2HG   GLN  45           HG3      GLN  45 -15.067 -17.564 -17.564
  350   1HE2  GLN  45           HE2      GLN  45 -13.036 -17.836 -17.836
  351   2HE2  GLN  45           HE2      GLN  45 -13.788 -18.549 -18.549
  352    H    MET  46           HN       MET  46 -15.752 -12.754 -12.754
  353    HA   MET  46           HA       MET  46 -17.063 -10.993 -10.993
  354   1HB   MET  46           HB2      MET  46 -14.208 -10.665 -10.665
  355   2HB   MET  46           HB3      MET  46 -15.361  -9.380  -9.380
  356   1HG   MET  46           HG2      MET  46 -16.833 -10.898 -10.898
  357   2HG   MET  46           HG3      MET  46 -15.222 -11.300 -11.300
  358   1HE   MET  46           HE3      MET  46 -15.539 -10.238 -10.238
  359   2HE   MET  46           HE1      MET  46 -16.187  -8.605  -8.605
  360   3HE   MET  46           HE2      MET  46 -17.228  -9.865  -9.865
  361    H    LYS  47           HN       LYS  47 -13.809 -12.529 -12.529
  362    HA   LYS  47           HA       LYS  47 -13.196 -11.170 -11.170
  363   1HB   LYS  47           HB2      LYS  47 -11.618 -12.398 -12.398
  364   2HB   LYS  47           HB3      LYS  47 -12.203 -13.899 -13.899
  365   1HG   LYS  47           HG2      LYS  47 -11.616 -12.885 -12.885
  366   2HG   LYS  47           HG3      LYS  47 -10.750 -11.642 -11.642
  367   1HD   LYS  47           HD2      LYS  47  -9.846 -14.003 -14.003
  368   2HD   LYS  47           HD3      LYS  47 -10.012 -14.467 -14.467
  369   1HE   LYS  47           HE2      LYS  47  -8.652 -11.844 -11.844
  370   2HE   LYS  47           HE3      LYS  47  -7.761 -13.337 -13.337
  371   1HZ   LYS  47           HZ1      LYS  47  -7.720 -13.720 -13.720
  372   2HZ   LYS  47           HZ2      LYS  47  -9.167 -13.036 -13.036
  373    H    ASP  48           HN       ASP  48 -15.490 -13.669 -13.669
  374    HA   ASP  48           HA       ASP  48 -15.707 -14.194 -14.194
  375   1HB   ASP  48           HB2      ASP  48 -15.121 -16.132 -16.132
  376   2HB   ASP  48           HB3      ASP  48 -16.778 -15.993 -15.993
  377    HD2  ASP  48           HD2      ASP  48 -15.514 -16.975 -16.975
  378    H    CYS  49           HN       CYS  49 -16.866 -11.968 -11.968
  379    HA   CYS  49           HA       CYS  49 -19.593 -12.660 -12.660
  380   1HB   CYS  49           HB2      CYS  49 -18.531 -11.005 -11.005
  381   2HB   CYS  49           HB3      CYS  49 -18.139  -9.997  -9.997
  382    H    THR  50           HN       THR  50 -20.788 -13.168 -13.168
  383    HA   THR  50           HA       THR  50 -20.298 -11.694 -11.694
  384    HB   THR  50           HB       THR  50 -20.612 -14.226 -14.226
  385    HG1  THR  50           HG1      THR  50 -21.445 -13.887 -13.887
  386   1HG2  THR  50           HG2      THR  50 -23.198 -13.300 -13.300
  387   2HG2  THR  50           HG2      THR  50 -23.368 -14.474 -14.474
  388   3HG2  THR  50           HG2      THR  50 -22.416 -14.894 -14.894
  389    H    GLU  51           HN       GLU  51 -21.631 -10.636 -10.636
  390    HA   GLU  51           HA       GLU  51 -23.754  -9.324  -9.324
  391   1HB   GLU  51           HB2      GLU  51 -24.027 -10.980 -10.980
  392   2HB   GLU  51           HB3      GLU  51 -24.812  -9.417  -9.417
  393   1HG   GLU  51           HG2      GLU  51 -26.133  -9.853  -9.853
  394   2HG   GLU  51           HG3      GLU  51 -25.200 -11.287 -11.287
  395    HE1  GLU  51           HE2      GLU  51 -25.363 -12.351 -12.351
  396    H    ARG  52           HN       ARG  52 -22.410  -7.465  -7.465
  397    HA   ARG  52           HA       ARG  52 -22.537  -5.714  -5.714
  398   1HB   ARG  52           HB2      ARG  52 -20.639  -6.889  -6.889
  399   2HB   ARG  52           HB3      ARG  52 -19.815  -6.960  -6.960
  400   1HG   ARG  52           HG2      ARG  52 -18.833  -5.200  -5.200
  401   2HG   ARG  52           HG3      ARG  52 -19.527  -4.503  -4.503
  402   1HD   ARG  52           HD2      ARG  52 -21.288  -3.487  -3.487
  403   2HD   ARG  52           HD3      ARG  52 -21.342  -4.725  -4.725
  404    HE   ARG  52           HE       ARG  52 -19.884  -3.427  -3.427
  405   1HH1  ARG  52           HH2      ARG  52 -18.292  -1.310  -1.310
  406   2HH1  ARG  52           HH2      ARG  52 -19.436  -2.566  -2.566
  407    HH2  ARG  52           HH1      ARG  52 -17.683  -0.861  -0.861
  408    H    GLN  53           HN       GLN  53 -20.394  -6.548  -6.548
  409    HA   GLN  53           HA       GLN  53 -19.801  -5.434  -5.434
  410   1HB   GLN  53           HB2      GLN  53 -22.652  -4.664  -4.664
  411   2HB   GLN  53           HB3      GLN  53 -21.748  -3.616  -3.616
  412   1HG   GLN  53           HG2      GLN  53 -21.910  -5.160  -5.160
  413   2HG   GLN  53           HG3      GLN  53 -21.003  -6.299  -6.299
  414   1HE2  GLN  53           HE2      GLN  53 -23.766  -8.135  -8.135
  415   2HE2  GLN  53           HE2      GLN  53 -22.123  -7.664  -7.664
  416    H    ALA  54           HN       ALA  54 -19.387  -3.101  -3.101
  417    HA   ALA  54           HA       ALA  54 -17.932  -1.677  -1.677
  418   1HB   ALA  54           HB3      ALA  54 -18.864  -1.049  -1.049
  419   2HB   ALA  54           HB1      ALA  54 -17.783   0.018   0.018
  420   3HB   ALA  54           HB2      ALA  54 -17.267  -1.635  -1.635
  421    H    ASN  55           HN       ASN  55 -20.929  -0.704  -0.704
  422    HA   ASN  55           HA       ASN  55 -21.660   0.788   0.788
  423   1HB   ASN  55           HB2      ASN  55 -22.640   2.551   2.551
  424   2HB   ASN  55           HB3      ASN  55 -20.891   2.457   2.457
  425   1HD2  ASN  55           HD2      ASN  55 -23.135   1.913   1.913
  426   2HD2  ASN  55           HD2      ASN  55 -23.715   2.475   2.475

  Start of MODEL    9
    1    H    MET   1           HN       MET   1   1.884   0.000   0.000
    2    HA   MET   1           HA       MET   1   1.655   0.813   0.813
    3   1HB   MET   1           HB2      MET   1   3.669   0.668   0.668
    4   2HB   MET   1           HB3      MET   1   4.083  -0.722  -0.722
    5   1HG   MET   1           HG2      MET   1   5.070   0.689   0.689
    6   2HG   MET   1           HG3      MET   1   3.484   1.326   1.326
    7   1HE   MET   1           HE3      MET   1   2.264   2.817   2.817
    8   2HE   MET   1           HE1      MET   1   2.829   3.964   3.964
    9   3HE   MET   1           HE2      MET   1   3.061   4.332   4.332
   10    H    GLN   2           HN       GLN   2   2.833  -0.564  -0.564
   11    HA   GLN   2           HA       GLN   2   2.811  -2.292  -2.292
   12   1HB   GLN   2           HB2      GLN   2   2.621  -3.847  -3.847
   13   2HB   GLN   2           HB3      GLN   2   2.768  -4.639  -4.639
   14   1HG   GLN   2           HG2      GLN   2   4.792  -2.738  -2.738
   15   2HG   GLN   2           HG3      GLN   2   4.810  -3.150  -3.150
   16   1HE2  GLN   2           HE2      GLN   2   6.476  -6.143  -6.143
   17   2HE2  GLN   2           HE2      GLN   2   5.960  -4.818  -4.818
   18    H    LYS   3           HN       LYS   3   0.578  -3.651  -3.651
   19    HA   LYS   3           HA       LYS   3  -1.441  -3.884  -3.884
   20   1HB   LYS   3           HB2      LYS   3  -2.429  -5.583  -5.583
   21   2HB   LYS   3           HB3      LYS   3  -0.703  -5.880  -5.880
   22   1HG   LYS   3           HG2      LYS   3  -1.457  -4.072  -4.072
   23   2HG   LYS   3           HG3      LYS   3  -2.455  -5.511  -5.511
   24   1HD   LYS   3           HD2      LYS   3  -0.625  -6.947  -6.947
   25   2HD   LYS   3           HD3      LYS   3   0.512  -5.861  -5.861
   26   1HE   LYS   3           HE2      LYS   3   0.993  -4.806  -4.806
   27   2HE   LYS   3           HE3      LYS   3  -0.702  -4.602  -4.602
   28   1HZ   LYS   3           HZ1      LYS   3  -0.363  -7.247  -7.247
   29   2HZ   LYS   3           HZ2      LYS   3   1.106  -6.700  -6.700
   30    H    GLY   4           HN       GLY   4  -3.810  -3.617  -3.617
   31   1HA   GLY   4           HA1      GLY   4  -5.345  -2.083  -2.083
   32   2HA   GLY   4           HA2      GLY   4  -4.429  -1.964  -1.964
   33    H    ASN   5           HN       ASN   5  -5.572   0.335   0.335
   34    HA   ASN   5           HA       ASN   5  -3.481   2.090   2.090
   35   1HB   ASN   5           HB2      ASN   5  -4.944   1.345   1.345
   36   2HB   ASN   5           HB3      ASN   5  -5.044   3.068   3.068
   37   1HD2  ASN   5           HD2      ASN   5  -1.488   3.645   3.645
   38   2HD2  ASN   5           HD2      ASN   5  -2.905   4.062   4.062
   39    H    PHE   6           HN       PHE   6  -7.025   1.730   1.730
   40    HA   PHE   6           HA       PHE   6  -7.981   4.148   4.148
   41   1HB   PHE   6           HB2      PHE   6  -8.851   1.356   1.356
   42   2HB   PHE   6           HB3      PHE   6  -9.631   2.151   2.151
   43    HD1  PHE   6           HD2      PHE   6 -10.274   4.784   4.784
   44    HD2  PHE   6           HD1      PHE   6 -10.326   1.162   1.162
   45    HE1  PHE   6           HE2      PHE   6 -11.983   5.759   5.759
   46    HE2  PHE   6           HE1      PHE   6 -12.036   2.137   2.137
   47   1HZ   PHE   6           HZ       PHE   6 -12.844   4.424   4.424
   48    H    ARG   7           HN       ARG   7  -7.420   5.491   5.491
   49    HA   ARG   7           HA       ARG   7  -6.372   4.718   4.718
   50   1HB   ARG   7           HB2      ARG   7  -6.527   7.079   7.079
   51   2HB   ARG   7           HB3      ARG   7  -8.182   7.152   7.152
   52   1HG   ARG   7           HG2      ARG   7  -7.164   6.494   6.494
   53   2HG   ARG   7           HG3      ARG   7  -5.634   6.985   6.985
   54   1HD   ARG   7           HD2      ARG   7  -6.428   8.975   8.975
   55   2HD   ARG   7           HD3      ARG   7  -6.845   9.199   9.199
   56    HE   ARG   7           HE       ARG   7  -8.960   7.895   7.895
   57   1HH1  ARG   7           HH2      ARG   7  -9.112  11.863  11.863
   58   2HH1  ARG   7           HH2      ARG   7  -7.624  11.007  11.007
   59    HH2  ARG   7           HH1      ARG   7 -11.039  10.678  10.678
   60    H    ASN   8           HN       ASN   8  -9.805   5.854   5.854
   61    HA   ASN   8           HA       ASN   8 -11.670   5.344   5.344
   62   1HB   ASN   8           HB2      ASN   8 -10.133   2.818   2.818
   63   2HB   ASN   8           HB3      ASN   8 -11.341   2.968   2.968
   64   1HD2  ASN   8           HD2      ASN   8 -12.472   2.927   2.927
   65   2HD2  ASN   8           HD2      ASN   8 -10.927   3.525   3.525
   66    H    GLN   9           HN       GLN   9 -12.727   5.103   5.103
   67    HA   GLN   9           HA       GLN   9 -10.832   5.493   5.493
   68   1HB   GLN   9           HB2      GLN   9 -11.832   7.727   7.727
   69   2HB   GLN   9           HB3      GLN   9 -13.165   7.384   7.384
   70   1HG   GLN   9           HG2      GLN   9 -11.274   7.088   7.088
   71   2HG   GLN   9           HG3      GLN   9 -10.273   7.976   7.976
   72   1HE2  GLN   9           HE2      GLN   9 -13.607   9.774   9.774
   73   2HE2  GLN   9           HE2      GLN   9 -13.530   8.065   8.065
   74    H    ARG  10           HN       ARG  10 -14.381   5.555   5.555
   75    HA   ARG  10           HA       ARG  10 -14.921   3.221   3.221
   76   1HB   ARG  10           HB2      ARG  10 -15.948   3.941   3.941
   77   2HB   ARG  10           HB3      ARG  10 -14.335   4.622   4.622
   78   1HG   ARG  10           HG2      ARG  10 -15.461   6.731   6.731
   79   2HG   ARG  10           HG3      ARG  10 -16.976   6.037   6.037
   80   1HD   ARG  10           HD2      ARG  10 -15.004   5.942   5.942
   81   2HD   ARG  10           HD3      ARG  10 -15.136   7.576   7.576
   82    HE   ARG  10           HE       ARG  10 -17.716   6.233   6.233
   83   1HH1  ARG  10           HH2      ARG  10 -15.212   8.350   8.350
   84   2HH1  ARG  10           HH2      ARG  10 -16.258   9.036   9.036
   85    HH2  ARG  10           HH1      ARG  10 -18.538   8.308   8.308
   86    H    LYS  11           HN       LYS  11 -17.449   3.034   3.034
   87    HA   LYS  11           HA       LYS  11 -19.170   4.951   4.951
   88   1HB   LYS  11           HB2      LYS  11 -19.751   3.952   3.952
   89   2HB   LYS  11           HB3      LYS  11 -18.099   4.535   4.535
   90   1HG   LYS  11           HG2      LYS  11 -17.284   2.214   2.214
   91   2HG   LYS  11           HG3      LYS  11 -18.936   1.629   1.629
   92   1HD   LYS  11           HD2      LYS  11 -18.236   1.174   1.174
   93   2HD   LYS  11           HD3      LYS  11 -19.067   2.705   2.705
   94   1HE   LYS  11           HE2      LYS  11 -16.949   2.858   2.858
   95   2HE   LYS  11           HE3      LYS  11 -16.845   3.896   3.896
   96   1HZ   LYS  11           HZ1      LYS  11 -15.472   2.353   2.353
   97   2HZ   LYS  11           HZ2      LYS  11 -15.887   1.103   1.103
   98    H    THR  12           HN       THR  12 -18.413   1.457   1.457
   99    HA   THR  12           HA       THR  12 -19.705  -0.250  -0.250
  100    HB   THR  12           HB       THR  12 -20.737   0.216   0.216
  101    HG1  THR  12           HG1      THR  12 -21.136   2.398   2.398
  102   1HG2  THR  12           HG2      THR  12 -18.025   0.705   0.705
  103   2HG2  THR  12           HG2      THR  12 -18.520   2.122   2.122
  104   3HG2  THR  12           HG2      THR  12 -18.680   0.486   0.486
  105    H    VAL  13           HN       VAL  13 -22.257  -0.496  -0.496
  106    HA   VAL  13           HA       VAL  13 -24.002   0.720   0.720
  107    HB   VAL  13           HB       VAL  13 -25.079  -1.516  -1.516
  108   1HG1  VAL  13           HG1      VAL  13 -22.938  -0.369  -0.369
  109   2HG1  VAL  13           HG1      VAL  13 -22.375  -2.032  -2.032
  110   3HG1  VAL  13           HG1      VAL  13 -23.898  -1.751  -1.751
  111   1HG2  VAL  13           HG2      VAL  13 -23.242  -2.270  -2.270
  112   2HG2  VAL  13           HG2      VAL  13 -24.464  -3.271  -3.271
  113   3HG2  VAL  13           HG2      VAL  13 -22.812  -3.167  -3.167
  114    H    LYS  14           HN       LYS  14 -26.290   0.695   0.695
  115    HA   LYS  14           HA       LYS  14 -26.601   0.231   0.231
  116   1HB   LYS  14           HB2      LYS  14 -27.789   2.267   2.267
  117   2HB   LYS  14           HB3      LYS  14 -26.302   2.659   2.659
  118   1HG   LYS  14           HG2      LYS  14 -28.315   1.983   1.983
  119   2HG   LYS  14           HG3      LYS  14 -28.999   3.152   3.152
  120   1HD   LYS  14           HD2      LYS  14 -27.248   4.752   4.752
  121   2HD   LYS  14           HD3      LYS  14 -26.238   3.554   3.554
  122   1HE   LYS  14           HE2      LYS  14 -27.216   4.873   4.873
  123   2HE   LYS  14           HE3      LYS  14 -28.039   3.326   3.326
  124   1HZ   LYS  14           HZ1      LYS  14 -29.524   5.349   5.349
  125   2HZ   LYS  14           HZ2      LYS  14 -29.916   4.278   4.278
  126    H    CYS  15           HN       CYS  15 -28.612  -0.613  -0.613
  127    HA   CYS  15           HA       CYS  15 -29.952  -2.056  -2.056
  128   1HB   CYS  15           HB2      CYS  15 -29.494  -3.051  -3.051
  129   2HB   CYS  15           HB3      CYS  15 -30.516  -1.856  -1.856
  130    H    PHE  16           HN       PHE  16 -31.513  -1.095  -1.095
  131    HA   PHE  16           HA       PHE  16 -32.797   1.298   1.298
  132   1HB   PHE  16           HB2      PHE  16 -32.040   0.053   0.053
  133   2HB   PHE  16           HB3      PHE  16 -33.791   0.124   0.124
  134    HD1  PHE  16           HD1      PHE  16 -34.674   2.545   2.545
  135    HD2  PHE  16           HD2      PHE  16 -30.985   1.808   1.808
  136    HE1  PHE  16           HE1      PHE  16 -34.567   4.952   4.952
  137    HE2  PHE  16           HE2      PHE  16 -30.878   4.215   4.215
  138   1HZ   PHE  16           HZ       PHE  16 -32.669   5.759   5.759
  139    H    ASN  17           HN       ASN  17 -33.300  -1.822  -1.822
  140    HA   ASN  17           HA       ASN  17 -36.143  -1.808  -1.808
  141   1HB   ASN  17           HB2      ASN  17 -34.735  -3.899  -3.899
  142   2HB   ASN  17           HB3      ASN  17 -34.399  -3.924  -3.924
  143   1HD2  ASN  17           HD2      ASN  17 -37.194  -6.255  -6.255
  144   2HD2  ASN  17           HD2      ASN  17 -35.535  -6.075  -6.075
  145    H    CYS  18           HN       CYS  18 -33.691  -1.971  -1.971
  146    HA   CYS  18           HA       CYS  18 -35.835  -1.471  -1.471
  147   1HB   CYS  18           HB2      CYS  18 -34.140  -2.092  -2.092
  148   2HB   CYS  18           HB3      CYS  18 -34.577  -3.381  -3.381
  149    H    GLY  19           HN       GLY  19 -32.706  -0.310  -0.310
  150   1HA   GLY  19           HA1      GLY  19 -32.398   2.045   2.045
  151   2HA   GLY  19           HA2      GLY  19 -33.236   2.312   2.312
  152    H    LYS  20           HN       LYS  20 -31.473  -0.447  -0.447
  153    HA   LYS  20           HA       LYS  20 -29.518   1.017   1.017
  154   1HB   LYS  20           HB2      LYS  20 -30.832  -1.345  -1.345
  155   2HB   LYS  20           HB3      LYS  20 -29.290  -1.926  -1.926
  156   1HG   LYS  20           HG2      LYS  20 -28.567   0.104   0.104
  157   2HG   LYS  20           HG3      LYS  20 -29.941  -0.659  -0.659
  158   1HD   LYS  20           HD2      LYS  20 -28.432  -2.832  -2.832
  159   2HD   LYS  20           HD3      LYS  20 -27.216  -1.699  -1.699
  160   1HE   LYS  20           HE2      LYS  20 -27.724  -2.979  -2.979
  161   2HE   LYS  20           HE3      LYS  20 -28.628  -1.497  -1.497
  162   1HZ   LYS  20           HZ1      LYS  20 -29.637  -4.140  -4.140
  163   2HZ   LYS  20           HZ2      LYS  20 -30.431  -2.807  -2.807
  164    H    GLU  21           HN       GLU  21 -27.441   1.477   1.477
  165    HA   GLU  21           HA       GLU  21 -26.675   0.809   0.809
  166   1HB   GLU  21           HB2      GLU  21 -24.743   2.286   2.286
  167   2HB   GLU  21           HB3      GLU  21 -26.244   3.062   3.062
  168   1HG   GLU  21           HG2      GLU  21 -25.384   3.382   3.382
  169   2HG   GLU  21           HG3      GLU  21 -25.414   1.647   1.647
  170    HE1  GLU  21           HE2      GLU  21 -22.079   3.606   3.606
  171    H    GLY  22           HN       GLY  22 -25.140  -0.698  -0.698
  172   1HA   GLY  22           HA1      GLY  22 -22.987  -1.737  -1.737
  173   2HA   GLY  22           HA2      GLY  22 -24.102  -2.451  -2.451
  174    H    HIS  23           HN       HIS  23 -26.365  -2.790  -2.790
  175    HA   HIS  23           HA       HIS  23 -25.214  -4.720  -4.720
  176   1HB   HIS  23           HB2      HIS  23 -26.867  -6.348  -6.348
  177   2HB   HIS  23           HB3      HIS  23 -26.062  -5.855  -5.855
  178    HD1  HIS  23           HD1      HIS  23 -27.464  -3.931  -3.931
  179    HD2  HIS  23           HD2      HIS  23 -29.600  -6.232  -6.232
  180    HE1  HIS  23           HE1      HIS  23 -29.927  -3.715  -3.715
  181    H    ILE  24           HN       ILE  24 -27.375  -5.531  -5.531
  182    HA   ILE  24           HA       ILE  24 -28.560  -3.002  -3.002
  183    HB   ILE  24           HB       ILE  24 -28.642  -4.097  -4.097
  184   1HG1  ILE  24           HG1      ILE  24 -26.789  -6.135  -6.135
  185   2HG1  ILE  24           HG1      ILE  24 -28.448  -6.437  -6.437
  186   1HG2  ILE  24           HG2      ILE  24 -26.320  -3.041  -3.041
  187   2HG2  ILE  24           HG2      ILE  24 -25.875  -4.067  -4.067
  188   3HG2  ILE  24           HG2      ILE  24 -26.947  -2.666  -2.666
  189   1HD1  ILE  24           HD1      ILE  24 -27.658  -5.503  -5.503
  190   2HD1  ILE  24           HD1      ILE  24 -26.039  -5.923  -5.923
  191   3HD1  ILE  24           HD1      ILE  24 -27.289  -7.181  -7.181
  192    H    ALA  25           HN       ALA  25 -30.725  -3.331  -3.331
  193    HA   ALA  25           HA       ALA  25 -32.495  -4.541  -4.541
  194   1HB   ALA  25           HB2      ALA  25 -32.753  -3.640  -3.640
  195   2HB   ALA  25           HB3      ALA  25 -34.134  -4.161  -4.161
  196   3HB   ALA  25           HB1      ALA  25 -33.186  -2.729  -2.729
  197    H    LYS  26           HN       LYS  26 -30.944  -5.710  -5.710
  198    HA   LYS  26           HA       LYS  26 -32.490  -8.050  -8.050
  199   1HB   LYS  26           HB2      LYS  26 -31.161  -6.963  -6.963
  200   2HB   LYS  26           HB3      LYS  26 -29.697  -7.541  -7.541
  201   1HG   LYS  26           HG2      LYS  26 -30.956  -9.897  -9.897
  202   2HG   LYS  26           HG3      LYS  26 -31.891  -9.135  -9.135
  203   1HD   LYS  26           HD2      LYS  26 -28.878  -8.922  -8.922
  204   2HD   LYS  26           HD3      LYS  26 -29.623 -10.443 -10.443
  205   1HE   LYS  26           HE2      LYS  26 -31.216  -8.700  -8.700
  206   2HE   LYS  26           HE3      LYS  26 -29.711  -7.802  -7.802
  207   1HZ   LYS  26           HZ1      LYS  26 -29.421  -9.170  -9.170
  208   2HZ   LYS  26           HZ2      LYS  26 -28.740 -10.128 -10.128
  209    H    ASN  27           HN       ASN  27 -29.992  -7.044  -7.044
  210    HA   ASN  27           HA       ASN  27 -29.550  -9.833  -9.833
  211   1HB   ASN  27           HB2      ASN  27 -27.701  -7.762  -7.762
  212   2HB   ASN  27           HB3      ASN  27 -27.825  -7.801  -7.801
  213   1HD2  ASN  27           HD2      ASN  27 -26.390 -10.988 -10.988
  214   2HD2  ASN  27           HD2      ASN  27 -27.431  -9.768  -9.768
  215    H    CYS  28           HN       CYS  28 -31.854  -7.895  -7.895
  216    HA   CYS  28           HA       CYS  28 -31.432  -7.274  -7.274
  217   1HB   CYS  28           HB2      CYS  28 -32.763  -5.812  -5.812
  218   2HB   CYS  28           HB3      CYS  28 -33.978  -7.071  -7.071
  219    H    ARG  29           HN       ARG  29 -31.528  -8.910  -8.910
  220    HA   ARG  29           HA       ARG  29 -32.824 -11.333 -11.333
  221   1HB   ARG  29           HB2      ARG  29 -30.711 -10.933 -10.933
  222   2HB   ARG  29           HB3      ARG  29 -31.852 -10.548 -10.548
  223   1HG   ARG  29           HG2      ARG  29 -32.973 -12.797 -12.797
  224   2HG   ARG  29           HG3      ARG  29 -31.689 -13.175 -13.175
  225   1HD   ARG  29           HD2      ARG  29 -31.163 -14.142 -14.142
  226   2HD   ARG  29           HD3      ARG  29 -29.995 -12.896 -12.896
  227    HE   ARG  29           HE       ARG  29 -32.090 -12.755 -12.755
  228   1HH1  ARG  29           HH2      ARG  29 -29.557  -9.677  -9.677
  229   2HH1  ARG  29           HH2      ARG  29 -29.651 -10.986 -10.986
  230    HH2  ARG  29           HH1      ARG  29 -30.927  -9.723  -9.723
  231    H    ALA  30           HN       ALA  30 -34.063  -8.389  -8.389
  232    HA   ALA  30           HA       ALA  30 -35.643  -8.555  -8.555
  233   1HB   ALA  30           HB3      ALA  30 -36.242  -7.513  -7.513
  234   2HB   ALA  30           HB1      ALA  30 -37.322  -7.232  -7.232
  235   3HB   ALA  30           HB2      ALA  30 -35.658  -6.601  -6.601
  236    HA   PRO  31           HA       PRO  31 -37.834 -12.272 -12.272
  237   1HB   PRO  31           HB2      PRO  31 -38.393 -13.003 -13.003
  238   2HB   PRO  31           HB3      PRO  31 -36.935 -13.492 -13.492
  239   1HG   PRO  31           HG2      PRO  31 -37.262 -11.447 -11.447
  240   2HG   PRO  31           HG3      PRO  31 -35.796 -12.242 -12.242
  241   1HD   PRO  31           HD2      PRO  31 -36.638  -9.575  -9.575
  242   2HD   PRO  31           HD3      PRO  31 -35.233 -10.410 -10.410
  243    H    ARG  32           HN       ARG  32 -38.797  -9.598  -9.598
  244    HA   ARG  32           HA       ARG  32 -41.446 -10.312 -10.312
  245   1HB   ARG  32           HB2      ARG  32 -41.826  -7.897  -7.897
  246   2HB   ARG  32           HB3      ARG  32 -40.386  -8.475  -8.475
  247   1HG   ARG  32           HG2      ARG  32 -39.058  -7.628  -7.628
  248   2HG   ARG  32           HG3      ARG  32 -40.530  -6.814  -6.814
  249   1HD   ARG  32           HD2      ARG  32 -39.417  -5.141  -5.141
  250   2HD   ARG  32           HD3      ARG  32 -40.535  -5.798  -5.798
  251    HE   ARG  32           HE       ARG  32 -37.914  -7.132  -7.132
  252   1HH1  ARG  32           HH2      ARG  32 -38.849  -4.388  -4.388
  253   2HH1  ARG  32           HH2      ARG  32 -39.840  -4.518  -4.518
  254    HH2  ARG  32           HH1      ARG  32 -36.954  -5.834  -5.834
  255    H    LYS  33           HN       LYS  33 -43.287  -8.809  -8.809
  256    HA   LYS  33           HA       LYS  33 -44.489  -8.467  -8.467
  257   1HB   LYS  33           HB2      LYS  33 -41.890  -7.103  -7.103
  258   2HB   LYS  33           HB3      LYS  33 -43.160  -7.148  -7.148
  259   1HG   LYS  33           HG2      LYS  33 -43.692  -6.241  -6.241
  260   2HG   LYS  33           HG3      LYS  33 -43.139  -5.126  -5.126
  261   1HD   LYS  33           HD2      LYS  33 -45.521  -6.887  -6.887
  262   2HD   LYS  33           HD3      LYS  33 -45.750  -5.504  -5.504
  263   1HE   LYS  33           HE2      LYS  33 -44.325  -5.184  -5.184
  264   2HE   LYS  33           HE3      LYS  33 -46.076  -5.197  -5.197
  265   1HZ   LYS  33           HZ1      LYS  33 -46.108  -3.206  -3.206
  266   2HZ   LYS  33           HZ2      LYS  33 -44.680  -3.434  -3.434
  267    H    LYS  34           HN       LYS  34 -44.613 -10.865 -10.865
  268    HA   LYS  34           HA       LYS  34 -42.897 -12.326 -12.326
  269   1HB   LYS  34           HB2      LYS  34 -44.660 -13.977 -13.977
  270   2HB   LYS  34           HB3      LYS  34 -44.571 -13.280 -13.280
  271   1HG   LYS  34           HG2      LYS  34 -46.392 -11.732 -11.732
  272   2HG   LYS  34           HG3      LYS  34 -46.856 -13.421 -13.421
  273   1HD   LYS  34           HD2      LYS  34 -46.119 -12.252 -12.252
  274   2HD   LYS  34           HD3      LYS  34 -47.584 -11.620 -11.620
  275   1HE   LYS  34           HE2      LYS  34 -47.099 -14.618 -14.618
  276   2HE   LYS  34           HE3      LYS  34 -47.766 -13.740 -13.740
  277   1HZ   LYS  34           HZ1      LYS  34 -48.983 -13.456 -13.456
  278   2HZ   LYS  34           HZ2      LYS  34 -49.392 -14.708 -14.708
  279    H    GLY  35           HN       GLY  35 -42.903 -12.920 -12.920
  280   1HA   GLY  35           HA1      GLY  35 -44.825 -11.732 -11.732
  281   2HA   GLY  35           HA2      GLY  35 -43.236 -10.996 -10.996
  282    H    CYS  36           HN       CYS  36 -42.581 -11.752 -11.752
  283    HA   CYS  36           HA       CYS  36 -42.706 -14.624 -14.624
  284   1HB   CYS  36           HB2      CYS  36 -43.524 -13.035 -13.035
  285   2HB   CYS  36           HB3      CYS  36 -41.885 -12.441 -12.441
  286    H    TRP  37           HN       TRP  37 -40.944 -15.790 -15.790
  287    HA   TRP  37           HA       TRP  37 -38.424 -14.391 -14.391
  288   1HB   TRP  37           HB2      TRP  37 -39.360 -15.819 -15.819
  289   2HB   TRP  37           HB3      TRP  37 -39.234 -17.211 -17.211
  290    HD1  TRP  37           HD1      TRP  37 -36.966 -18.517 -18.517
  291    HE1  TRP  37           HE1      TRP  37 -34.556 -18.152 -18.152
  292    HE3  TRP  37           HE3      TRP  37 -37.682 -13.658 -13.658
  293    HZ2  TRP  37           HZ2      TRP  37 -33.250 -15.923 -15.923
  294    HZ3  TRP  37           HZ3      TRP  37 -35.789 -12.460 -12.460
  295    HH2  TRP  37           HH2      TRP  37 -33.631 -13.515 -13.515
  296    H    LYS  38           HN       LYS  38 -39.887 -15.308 -15.308
  297    HA   LYS  38           HA       LYS  38 -37.696 -16.958 -16.958
  298   1HB   LYS  38           HB2      LYS  38 -40.159 -17.696 -17.696
  299   2HB   LYS  38           HB3      LYS  38 -40.343 -16.449 -16.449
  300   1HG   LYS  38           HG2      LYS  38 -39.786 -18.329 -18.329
  301   2HG   LYS  38           HG3      LYS  38 -38.236 -17.529 -17.529
  302   1HD   LYS  38           HD2      LYS  38 -38.629 -19.284 -19.284
  303   2HD   LYS  38           HD3      LYS  38 -38.947 -20.190 -20.190
  304   1HE   LYS  38           HE2      LYS  38 -36.447 -18.483 -18.483
  305   2HE   LYS  38           HE3      LYS  38 -36.510 -20.196 -20.196
  306   1HZ   LYS  38           HZ1      LYS  38 -35.827 -19.291 -19.291
  307   2HZ   LYS  38           HZ2      LYS  38 -36.577 -20.726 -20.726
  308    H    CYS  39           HN       CYS  39 -39.638 -13.969 -13.969
  309    HA   CYS  39           HA       CYS  39 -37.589 -13.160 -13.160
  310   1HB   CYS  39           HB2      CYS  39 -39.260 -11.477 -11.477
  311   2HB   CYS  39           HB3      CYS  39 -39.715 -13.145 -13.145
  312    H    GLY  40           HN       GLY  40 -39.151 -12.575 -12.575
  313   1HA   GLY  40           HA1      GLY  40 -38.076 -11.397 -11.397
  314   2HA   GLY  40           HA2      GLY  40 -37.223 -10.425 -10.425
  315    H    LYS  41           HN       LYS  41 -40.218 -10.549 -10.549
  316    HA   LYS  41           HA       LYS  41 -40.853  -7.915  -7.915
  317   1HB   LYS  41           HB2      LYS  41 -41.462  -9.594  -9.594
  318   2HB   LYS  41           HB3      LYS  41 -42.999  -9.403  -9.403
  319   1HG   LYS  41           HG2      LYS  41 -41.987  -6.807  -6.807
  320   2HG   LYS  41           HG3      LYS  41 -41.394  -7.400  -7.400
  321   1HD   LYS  41           HD2      LYS  41 -43.484  -7.443  -7.443
  322   2HD   LYS  41           HD3      LYS  41 -44.213  -8.146  -8.146
  323   1HE   LYS  41           HE2      LYS  41 -43.942  -5.794  -5.794
  324   2HE   LYS  41           HE3      LYS  41 -43.613  -5.207  -5.207
  325   1HZ   LYS  41           HZ1      LYS  41 -46.124  -6.224  -6.224
  326   2HZ   LYS  41           HZ2      LYS  41 -45.883  -5.017  -5.017
  327    H    GLU  42           HN       GLU  42 -41.803  -7.279  -7.279
  328    HA   GLU  42           HA       GLU  42 -43.060  -9.276  -9.276
  329   1HB   GLU  42           HB2      GLU  42 -43.202  -7.463  -7.463
  330   2HB   GLU  42           HB3      GLU  42 -41.579  -7.623  -7.623
  331   1HG   GLU  42           HG2      GLU  42 -42.955  -5.788  -5.788
  332   2HG   GLU  42           HG3      GLU  42 -43.343  -5.316  -5.316
  333    HE2  GLU  42           HE2      GLU  42 -40.542  -3.626  -3.626
  334    H    GLY  43           HN       GLY  43 -45.049  -9.885  -9.885
  335   1HA   GLY  43           HA1      GLY  43 -47.284  -8.290  -8.290
  336   2HA   GLY  43           HA2      GLY  43 -46.849  -8.080  -8.080
  337    H    HIS  44           HN       HIS  44 -46.156 -10.364 -10.364
  338    HA   HIS  44           HA       HIS  44 -48.469 -12.052 -12.052
  339   1HB   HIS  44           HB2      HIS  44 -48.015 -12.980 -12.980
  340   2HB   HIS  44           HB3      HIS  44 -47.990 -11.231 -11.231
  341    HD1  HIS  44           HD1      HIS  44 -45.980 -10.211 -10.211
  342    HD2  HIS  44           HD2      HIS  44 -45.256 -14.125 -14.125
  343    HE1  HIS  44           HE1      HIS  44 -43.653 -10.833 -10.833
  344    H    GLN  45           HN       GLN  45 -48.220 -14.432 -14.432
  345    HA   GLN  45           HA       GLN  45 -45.905 -15.046 -15.046
  346   1HB   GLN  45           HB2      GLN  45 -48.288 -16.842 -16.842
  347   2HB   GLN  45           HB3      GLN  45 -47.134 -17.021 -17.021
  348   1HG   GLN  45           HG2      GLN  45 -48.770 -14.475 -14.475
  349   2HG   GLN  45           HG3      GLN  45 -49.479 -15.906 -15.906
  350   1HE2  GLN  45           HE2      GLN  45 -47.829 -15.706 -15.706
  351   2HE2  GLN  45           HE2      GLN  45 -48.938 -16.531 -16.531
  352    H    MET  46           HN       MET  46 -45.102 -17.497 -17.497
  353    HA   MET  46           HA       MET  46 -43.806 -17.520 -17.520
  354   1HB   MET  46           HB2      MET  46 -43.211 -19.891 -19.891
  355   2HB   MET  46           HB3      MET  46 -42.999 -18.750 -18.750
  356   1HG   MET  46           HG2      MET  46 -45.235 -19.383 -19.383
  357   2HG   MET  46           HG3      MET  46 -45.468 -20.510 -20.510
  358   1HE   MET  46           HE1      MET  46 -43.288 -19.259 -19.259
  359   2HE   MET  46           HE2      MET  46 -43.877 -20.509 -20.509
  360   3HE   MET  46           HE3      MET  46 -42.214 -20.590 -20.590
  361    H    LYS  47           HN       LYS  47 -46.879 -19.051 -19.051
  362    HA   LYS  47           HA       LYS  47 -47.148 -20.692 -20.692
  363   1HB   LYS  47           HB2      LYS  47 -48.350 -20.595 -20.595
  364   2HB   LYS  47           HB3      LYS  47 -49.560 -19.743 -19.743
  365   1HG   LYS  47           HG2      LYS  47 -48.392 -22.356 -22.356
  366   2HG   LYS  47           HG3      LYS  47 -49.685 -22.368 -22.368
  367   1HD   LYS  47           HD2      LYS  47 -50.766 -20.602 -20.602
  368   2HD   LYS  47           HD3      LYS  47 -49.744 -21.486 -21.486
  369   1HE   LYS  47           HE2      LYS  47 -50.831 -23.608 -23.608
  370   2HE   LYS  47           HE3      LYS  47 -52.117 -22.454 -22.454
  371   1HZ   LYS  47           HZ1      LYS  47 -51.190 -22.426 -22.426
  372   2HZ   LYS  47           HZ2      LYS  47 -51.806 -23.871 -23.871
  373    H    ASP  48           HN       ASP  48 -47.560 -17.270 -17.270
  374    HA   ASP  48           HA       ASP  48 -49.057 -17.062 -17.062
  375   1HB   ASP  48           HB2      ASP  48 -50.012 -15.967 -15.967
  376   2HB   ASP  48           HB3      ASP  48 -48.566 -14.984 -14.984
  377    HD2  ASP  48           HD2      ASP  48 -51.282 -14.341 -14.341
  378    H    CYS  49           HN       CYS  49 -46.010 -17.474 -17.474
  379    HA   CYS  49           HA       CYS  49 -44.775 -15.020 -15.020
  380   1HB   CYS  49           HB2      CYS  49 -43.653 -16.769 -16.769
  381   2HB   CYS  49           HB3      CYS  49 -43.641 -17.837 -17.837
  382    H    THR  50           HN       THR  50 -45.080 -14.139 -14.139
  383    HA   THR  50           HA       THR  50 -45.747 -15.823 -15.823
  384    HB   THR  50           HB       THR  50 -45.817 -13.562 -13.562
  385    HG1  THR  50           HG1      THR  50 -45.486 -11.800 -11.800
  386   1HG2  THR  50           HG2      THR  50 -47.584 -14.488 -14.488
  387   2HG2  THR  50           HG2      THR  50 -47.122 -12.894 -12.894
  388   3HG2  THR  50           HG2      THR  50 -47.839 -13.026 -13.026
  389    H    GLU  51           HN       GLU  51 -42.886 -15.381 -15.381
  390    HA   GLU  51           HA       GLU  51 -40.849 -15.927 -15.927
  391   1HB   GLU  51           HB2      GLU  51 -42.126 -17.360 -17.360
  392   2HB   GLU  51           HB3      GLU  51 -41.481 -16.171 -16.171
  393   1HG   GLU  51           HG2      GLU  51 -39.179 -16.648 -16.648
  394   2HG   GLU  51           HG3      GLU  51 -39.768 -17.730 -17.730
  395    HE2  GLU  51           HE2      GLU  51 -38.978 -18.512 -18.512
  396    H    ARG  52           HN       ARG  52 -42.252 -14.056 -14.056
  397    HA   ARG  52           HA       ARG  52 -41.796 -12.075 -12.075
  398   1HB   ARG  52           HB2      ARG  52 -41.485 -11.434 -11.434
  399   2HB   ARG  52           HB3      ARG  52 -39.762 -11.644 -11.644
  400   1HG   ARG  52           HG2      ARG  52 -39.843  -9.411  -9.411
  401   2HG   ARG  52           HG3      ARG  52 -40.290 -10.024 -10.024
  402   1HD   ARG  52           HD2      ARG  52 -42.576  -9.518  -9.518
  403   2HD   ARG  52           HD3      ARG  52 -42.479  -9.582  -9.582
  404    HE   ARG  52           HE       ARG  52 -40.801  -7.457  -7.457
  405   1HH1  ARG  52           HH2      ARG  52 -44.236  -8.253  -8.253
  406   2HH1  ARG  52           HH2      ARG  52 -44.744  -6.597  -6.597
  407    HH2  ARG  52           HH1      ARG  52 -43.102  -4.862  -4.862
  408    H    GLN  53           HN       GLN  53 -38.725 -13.413 -13.413
  409    HA   GLN  53           HA       GLN  53 -37.186 -12.516 -12.516
  410   1HB   GLN  53           HB2      GLN  53 -36.720 -14.221 -14.221
  411   2HB   GLN  53           HB3      GLN  53 -35.536 -14.300 -14.300
  412   1HG   GLN  53           HG2      GLN  53 -34.888 -12.065 -12.065
  413   2HG   GLN  53           HG3      GLN  53 -36.451 -11.565 -11.565
  414   1HE2  GLN  53           HE2      GLN  53 -34.407 -11.317 -11.317
  415   2HE2  GLN  53           HE2      GLN  53 -34.818 -10.492 -10.492
  416    H    ALA  54           HN       ALA  54 -38.074 -13.349 -13.349
  417    HA   ALA  54           HA       ALA  54 -37.248 -16.021 -16.021
  418   1HB   ALA  54           HB2      ALA  54 -39.509 -16.274 -16.274
  419   2HB   ALA  54           HB3      ALA  54 -40.212 -15.393 -15.393
  420   3HB   ALA  54           HB1      ALA  54 -39.398 -16.954 -16.954
  421    H    ASN  55           HN       ASN  55 -39.606 -13.475 -13.475
  422    HA   ASN  55           HA       ASN  55 -37.964 -12.530 -12.530
  423   1HB   ASN  55           HB2      ASN  55 -38.899 -13.515 -13.515
  424   2HB   ASN  55           HB3      ASN  55 -38.364 -14.828 -14.828
  425   1HD2  ASN  55           HD2      ASN  55 -41.643 -15.910 -15.910
  426   2HD2  ASN  55           HD2      ASN  55 -40.031 -15.680 -15.680

  Start of MODEL   10
    1    H    MET   1           HN       MET   1   1.884   0.000   0.000
    2    HA   MET   1           HA       MET   1   2.811  -0.796  -0.796
    3   1HB   MET   1           HB2      MET   1   1.664  -0.184  -0.184
    4   2HB   MET   1           HB3      MET   1   0.743  -1.288  -1.288
    5   1HG   MET   1           HG2      MET   1   0.289   1.693   1.693
    6   2HG   MET   1           HG3      MET   1  -0.427   0.856   0.856
    7   1HE   MET   1           HE1      MET   1  -2.206  -0.049  -0.049
    8   2HE   MET   1           HE2      MET   1  -2.897  -1.292  -1.292
    9   3HE   MET   1           HE3      MET   1  -3.472   0.389   0.389
   10    H    GLN   2           HN       GLN   2   1.741   2.190   2.190
   11    HA   GLN   2           HA       GLN   2   2.365   4.272   4.272
   12   1HB   GLN   2           HB2      GLN   2   5.016   2.847   2.847
   13   2HB   GLN   2           HB3      GLN   2   4.912   4.583   4.583
   14   1HG   GLN   2           HG2      GLN   2   5.081   4.137   4.137
   15   2HG   GLN   2           HG3      GLN   2   3.384   3.710   3.710
   16   1HE2  GLN   2           HE2      GLN   2   5.991   1.006   1.006
   17   2HE2  GLN   2           HE2      GLN   2   6.139   2.731   2.731
   18    H    LYS   3           HN       LYS   3   1.145   4.922   4.922
   19    HA   LYS   3           HA       LYS   3   2.385   4.608   4.608
   20   1HB   LYS   3           HB2      LYS   3  -0.233   4.607   4.607
   21   2HB   LYS   3           HB3      LYS   3  -0.076   6.199   6.199
   22   1HG   LYS   3           HG2      LYS   3   0.865   5.151   5.151
   23   2HG   LYS   3           HG3      LYS   3   0.645   3.566   3.566
   24   1HD   LYS   3           HD2      LYS   3  -1.847   5.009   5.009
   25   2HD   LYS   3           HD3      LYS   3  -1.293   5.173   5.173
   26   1HE   LYS   3           HE2      LYS   3  -2.575   3.157   3.157
   27   2HE   LYS   3           HE3      LYS   3  -0.907   2.619   2.619
   28   1HZ   LYS   3           HZ1      LYS   3  -1.355   2.771   2.771
   29   2HZ   LYS   3           HZ2      LYS   3  -2.872   2.432   2.432
   30    H    GLY   4           HN       GLY   4   2.765   6.469   6.469
   31   1HA   GLY   4           HA1      GLY   4   2.794   8.936   8.936
   32   2HA   GLY   4           HA2      GLY   4   3.471   8.889   8.889
   33    H    ASN   5           HN       ASN   5   5.634   7.890   7.890
   34    HA   ASN   5           HA       ASN   5   7.385   8.732   8.732
   35   1HB   ASN   5           HB2      ASN   5   7.626   7.199   7.199
   36   2HB   ASN   5           HB3      ASN   5   9.010   7.208   7.208
   37   1HD2  ASN   5           HD2      ASN   5   7.668  10.688  10.688
   38   2HD2  ASN   5           HD2      ASN   5   6.636   9.316   9.316
   39    H    PHE   6           HN       PHE   6   6.732   5.418   5.418
   40    HA   PHE   6           HA       PHE   6   6.878   3.389   3.389
   41   1HB   PHE   6           HB2      PHE   6   5.275   4.717   4.717
   42   2HB   PHE   6           HB3      PHE   6   6.636   4.684   4.684
   43    HD1  PHE   6           HD2      PHE   6   5.168   2.123   2.123
   44    HD2  PHE   6           HD1      PHE   6   6.250   3.155   3.155
   45    HE1  PHE   6           HE2      PHE   6   4.478  -0.160  -0.160
   46    HE2  PHE   6           HE1      PHE   6   5.561   0.871   0.871
   47   1HZ   PHE   6           HZ       PHE   6   4.683  -0.759  -0.759
   48    H    ARG   7           HN       ARG   7   8.182   1.870   1.870
   49    HA   ARG   7           HA       ARG   7  10.090   1.154   1.154
   50   1HB   ARG   7           HB2      ARG   7  10.101   3.929   3.929
   51   2HB   ARG   7           HB3      ARG   7  11.509   2.904   2.904
   52   1HG   ARG   7           HG2      ARG   7   8.701   1.931   1.931
   53   2HG   ARG   7           HG3      ARG   7   9.699   2.770   2.770
   54   1HD   ARG   7           HD2      ARG   7  11.091   0.543   0.543
   55   2HD   ARG   7           HD3      ARG   7   9.732   0.031   0.031
   56    HE   ARG   7           HE       ARG   7  12.247   1.212   1.212
   57   1HH1  ARG   7           HH2      ARG   7   8.881   0.447   0.447
   58   2HH1  ARG   7           HH2      ARG   7   9.151   0.477   0.477
   59    HH2  ARG   7           HH1      ARG   7  11.347   0.952   0.952
   60    H    ASN   8           HN       ASN   8  11.025   0.857   0.857
   61    HA   ASN   8           HA       ASN   8  12.857   2.999   2.999
   62   1HB   ASN   8           HB2      ASN   8  10.860   1.563   1.563
   63   2HB   ASN   8           HB3      ASN   8  12.435   1.142   1.142
   64   1HD2  ASN   8           HD2      ASN   8  13.334   4.455   4.455
   65   2HD2  ASN   8           HD2      ASN   8  13.961   2.984   2.984
   66    H    GLN   9           HN       GLN   9  12.257  -0.579  -0.579
   67    HA   GLN   9           HA       GLN   9  13.589  -2.297  -2.297
   68   1HB   GLN   9           HB2      GLN   9  15.028  -0.687  -0.687
   69   2HB   GLN   9           HB3      GLN   9  15.434  -2.350  -2.350
   70   1HG   GLN   9           HG2      GLN   9  13.873  -2.757  -2.757
   71   2HG   GLN   9           HG3      GLN   9  12.776  -2.691  -2.691
   72   1HE2  GLN   9           HE2      GLN   9  13.033   0.443   0.443
   73   2HE2  GLN   9           HE2      GLN   9  14.327  -0.688  -0.688
   74    H    ARG  10           HN       ARG  10  14.488  -2.393  -2.393
   75    HA   ARG  10           HA       ARG  10  16.437  -0.591  -0.591
   76   1HB   ARG  10           HB2      ARG  10  15.852  -3.380  -3.380
   77   2HB   ARG  10           HB3      ARG  10  16.631  -2.069  -2.069
   78   1HG   ARG  10           HG2      ARG  10  14.368  -0.764  -0.764
   79   2HG   ARG  10           HG3      ARG  10  13.730  -2.396  -2.396
   80   1HD   ARG  10           HD2      ARG  10  14.400  -2.813  -2.813
   81   2HD   ARG  10           HD3      ARG  10  15.263  -1.290  -1.290
   82    HE   ARG  10           HE       ARG  10  12.422  -1.011  -1.011
   83   1HH1  ARG  10           HH2      ARG  10  14.771  -1.137  -1.137
   84   2HH1  ARG  10           HH2      ARG  10  13.741  -0.308  -0.308
   85    HH2  ARG  10           HH1      ARG  10  11.565   0.401   0.401
   86    H    LYS  11           HN       LYS  11  18.087  -0.665  -0.665
   87    HA   LYS  11           HA       LYS  11  19.570  -3.182  -3.182
   88   1HB   LYS  11           HB2      LYS  11  18.832  -2.307  -2.307
   89   2HB   LYS  11           HB3      LYS  11  19.552  -0.745  -0.745
   90   1HG   LYS  11           HG2      LYS  11  21.398  -1.548  -1.548
   91   2HG   LYS  11           HG3      LYS  11  21.710  -2.442  -2.442
   92   1HD   LYS  11           HD2      LYS  11  19.745  -3.863  -3.863
   93   2HD   LYS  11           HD3      LYS  11  21.171  -3.509  -3.509
   94   1HE   LYS  11           HE2      LYS  11  22.628  -4.624  -4.624
   95   2HE   LYS  11           HE3      LYS  11  21.346  -4.742  -4.742
   96   1HZ   LYS  11           HZ1      LYS  11  20.587  -5.959  -5.959
   97   2HZ   LYS  11           HZ2      LYS  11  21.948  -6.636  -6.636
   98    H    THR  12           HN       THR  12  20.879   0.090   0.090
   99    HA   THR  12           HA       THR  12  22.220   0.168   0.168
  100    HB   THR  12           HB       THR  12  23.898  -0.142  -0.142
  101    HG1  THR  12           HG1      THR  12  23.046  -1.977  -1.977
  102   1HG2  THR  12           HG2      THR  12  24.443  -0.193  -0.193
  103   2HG2  THR  12           HG2      THR  12  25.574  -0.901  -0.901
  104   3HG2  THR  12           HG2      THR  12  25.212   0.841   0.841
  105    H    VAL  13           HN       VAL  13  23.049   1.448   1.448
  106    HA   VAL  13           HA       VAL  13  23.477   3.566   3.566
  107    HB   VAL  13           HB       VAL  13  21.506   4.915   4.915
  108   1HG1  VAL  13           HG1      VAL  13  20.952   1.945   1.945
  109   2HG1  VAL  13           HG1      VAL  13  19.818   3.194   3.194
  110   3HG1  VAL  13           HG1      VAL  13  21.443   3.076   3.076
  111   1HG2  VAL  13           HG2      VAL  13  20.842   4.739   4.739
  112   2HG2  VAL  13           HG2      VAL  13  19.478   4.474   4.474
  113   3HG2  VAL  13           HG2      VAL  13  20.251   3.088   3.088
  114    H    LYS  14           HN       LYS  14  22.408   6.036   6.036
  115    HA   LYS  14           HA       LYS  14  24.073   6.045   6.045
  116   1HB   LYS  14           HB2      LYS  14  24.584   8.375   8.375
  117   2HB   LYS  14           HB3      LYS  14  25.061   7.322   7.322
  118   1HG   LYS  14           HG2      LYS  14  22.417   7.985   7.985
  119   2HG   LYS  14           HG3      LYS  14  23.033   9.471   9.471
  120   1HD   LYS  14           HD2      LYS  14  24.970   9.428   9.428
  121   2HD   LYS  14           HD3      LYS  14  24.429   7.899   7.899
  122   1HE   LYS  14           HE2      LYS  14  22.389   8.925   8.925
  123   2HE   LYS  14           HE3      LYS  14  22.720  10.430  10.430
  124   1HZ   LYS  14           HZ1      LYS  14  23.560   9.781   9.781
  125   2HZ   LYS  14           HZ2      LYS  14  24.078  11.057  11.057
  126    H    CYS  15           HN       CYS  15  23.303   7.137   7.137
  127    HA   CYS  15           HA       CYS  15  20.428   7.254   7.254
  128   1HB   CYS  15           HB2      CYS  15  21.635   6.129   6.129
  129   2HB   CYS  15           HB3      CYS  15  22.520   7.595   7.595
  130    H    PHE  16           HN       PHE  16  19.395   9.140   9.140
  131    HA   PHE  16           HA       PHE  16  20.903  11.594  11.594
  132   1HB   PHE  16           HB2      PHE  16  18.172  10.539  10.539
  133   2HB   PHE  16           HB3      PHE  16  18.375  12.275  12.275
  134    HD1  PHE  16           HD1      PHE  16  20.787  13.014  13.014
  135    HD2  PHE  16           HD2      PHE  16  18.350   9.725   9.725
  136    HE1  PHE  16           HE1      PHE  16  21.781  13.059  13.059
  137    HE2  PHE  16           HE2      PHE  16  19.344   9.769   9.769
  138   1HZ   PHE  16           HZ       PHE  16  21.047  11.436  11.436
  139    H    ASN  17           HN       ASN  17  19.825  10.012  10.012
  140    HA   ASN  17           HA       ASN  17  18.289  12.205  12.205
  141   1HB   ASN  17           HB2      ASN  17  17.560   9.729   9.729
  142   2HB   ASN  17           HB3      ASN  17  18.924   9.505   9.505
  143   1HD2  ASN  17           HD2      ASN  17  17.155  10.493  10.493
  144   2HD2  ASN  17           HD2      ASN  17  18.339   9.488   9.488
  145    H    CYS  18           HN       CYS  18  21.059   9.962   9.962
  146    HA   CYS  18           HA       CYS  18  22.044  11.956  11.956
  147   1HB   CYS  18           HB2      CYS  18  23.495  10.165  10.165
  148   2HB   CYS  18           HB3      CYS  18  21.790   9.780   9.780
  149    H    GLY  19           HN       GLY  19  22.520  10.455  10.455
  150   1HA   GLY  19           HA1      GLY  19  23.858  11.371  11.371
  151   2HA   GLY  19           HA2      GLY  19  24.851  12.162  12.162
  152    H    LYS  20           HN       LYS  20  24.373   9.116   9.116
  153    HA   LYS  20           HA       LYS  20  27.006   8.297   8.297
  154   1HB   LYS  20           HB2      LYS  20  25.457   7.998   7.998
  155   2HB   LYS  20           HB3      LYS  20  25.370   6.403   6.403
  156   1HG   LYS  20           HG2      LYS  20  28.011   6.772   6.772
  157   2HG   LYS  20           HG3      LYS  20  27.791   7.910   7.910
  158   1HD   LYS  20           HD2      LYS  20  26.348   5.482   5.482
  159   2HD   LYS  20           HD3      LYS  20  27.970   5.043   5.043
  160   1HE   LYS  20           HE2      LYS  20  28.051   5.443   5.443
  161   2HE   LYS  20           HE3      LYS  20  28.875   6.785   6.785
  162   1HZ   LYS  20           HZ1      LYS  20  27.241   7.483   7.483
  163   2HZ   LYS  20           HZ2      LYS  20  26.900   8.133   8.133
  164    H    GLU  21           HN       GLU  21  27.588   6.661   6.661
  165    HA   GLU  21           HA       GLU  21  25.468   5.805   5.805
  166   1HB   GLU  21           HB2      GLU  21  27.287   5.006   5.006
  167   2HB   GLU  21           HB3      GLU  21  27.581   6.661   6.661
  168   1HG   GLU  21           HG2      GLU  21  28.753   4.915   4.915
  169   2HG   GLU  21           HG3      GLU  21  29.263   4.356   4.356
  170    HE1  GLU  21           HE2      GLU  21  29.538   7.612   7.612
  171    H    GLY  22           HN       GLY  22  24.832   3.631   3.631
  172   1HA   GLY  22           HA1      GLY  22  25.591   1.273   1.273
  173   2HA   GLY  22           HA2      GLY  22  25.805   1.740   1.740
  174    H    HIS  23           HN       HIS  23  23.341   3.669   3.669
  175    HA   HIS  23           HA       HIS  23  21.228   1.720   1.720
  176   1HB   HIS  23           HB2      HIS  23  20.269   2.117   2.117
  177   2HB   HIS  23           HB3      HIS  23  21.920   1.567   1.567
  178    HD1  HIS  23           HD1      HIS  23  23.734   3.522   3.522
  179    HD2  HIS  23           HD2      HIS  23  19.684   4.526   4.526
  180    HE1  HIS  23           HE1      HIS  23  23.668   5.627   5.627
  181    H    ILE  24           HN       ILE  24  19.020   3.076   3.076
  182    HA   ILE  24           HA       ILE  24  19.356   5.612   5.612
  183    HB   ILE  24           HB       ILE  24  16.805   5.044   5.044
  184   1HG1  ILE  24           HG1      ILE  24  18.090   2.314   2.314
  185   2HG1  ILE  24           HG1      ILE  24  16.790   2.963   2.963
  186   1HG2  ILE  24           HG2      ILE  24  19.133   5.143   5.143
  187   2HG2  ILE  24           HG2      ILE  24  18.521   3.511   3.511
  188   3HG2  ILE  24           HG2      ILE  24  17.495   4.934   4.934
  189   1HD1  ILE  24           HD1      ILE  24  15.811   3.325   3.325
  190   2HD1  ILE  24           HD1      ILE  24  16.692   1.782   1.782
  191   3HD1  ILE  24           HD1      ILE  24  15.393   1.974   1.974
  192    H    ALA  25           HN       ALA  25  17.410   7.159   7.159
  193    HA   ALA  25           HA       ALA  25  17.550   7.790   7.790
  194   1HB   ALA  25           HB3      ALA  25  15.728   8.659   8.659
  195   2HB   ALA  25           HB1      ALA  25  15.659   9.381   9.381
  196   3HB   ALA  25           HB2      ALA  25  17.147   9.510   9.510
  197    H    LYS  26           HN       LYS  26  15.094   6.038   6.038
  198    HA   LYS  26           HA       LYS  26  13.194   5.844   5.844
  199   1HB   LYS  26           HB2      LYS  26  12.748   5.558   5.558
  200   2HB   LYS  26           HB3      LYS  26  13.614   4.035   4.035
  201   1HG   LYS  26           HG2      LYS  26  11.591   4.208   4.208
  202   2HG   LYS  26           HG3      LYS  26  10.883   4.404   4.404
  203   1HD   LYS  26           HD2      LYS  26  12.892   2.196   2.196
  204   2HD   LYS  26           HD3      LYS  26  11.378   1.969   1.969
  205   1HE   LYS  26           HE2      LYS  26  11.130   2.954   2.954
  206   2HE   LYS  26           HE3      LYS  26  11.752   1.325   1.325
  207   1HZ   LYS  26           HZ1      LYS  26   9.463   1.862   1.862
  208   2HZ   LYS  26           HZ2      LYS  26   9.128   1.969   1.969
  209    H    ASN  27           HN       ASN  27  16.285   4.349   4.349
  210    HA   ASN  27           HA       ASN  27  15.539   2.308   2.308
  211   1HB   ASN  27           HB2      ASN  27  16.529   1.709   1.709
  212   2HB   ASN  27           HB3      ASN  27  18.060   2.220   2.220
  213   1HD2  ASN  27           HD2      ASN  27  18.569  -0.550  -0.550
  214   2HD2  ASN  27           HD2      ASN  27  19.044   1.051   1.051
  215    H    CYS  28           HN       CYS  28  16.248   5.167   5.167
  216    HA   CYS  28           HA       CYS  28  18.978   5.104   5.104
  217   1HB   CYS  28           HB2      CYS  28  17.883   7.141   7.141
  218   2HB   CYS  28           HB3      CYS  28  16.908   7.280   7.280
  219    H    ARG  29           HN       ARG  29  19.563   4.381   4.381
  220    HA   ARG  29           HA       ARG  29  17.391   4.050   4.050
  221   1HB   ARG  29           HB2      ARG  29  18.786   2.328   2.328
  222   2HB   ARG  29           HB3      ARG  29  18.684   1.994   1.994
  223   1HG   ARG  29           HG2      ARG  29  20.930   2.220   2.220
  224   2HG   ARG  29           HG3      ARG  29  20.934   3.779   3.779
  225   1HD   ARG  29           HD2      ARG  29  22.329   2.296   2.296
  226   2HD   ARG  29           HD3      ARG  29  20.859   2.567   2.567
  227    HE   ARG  29           HE       ARG  29  20.669   0.226   0.226
  228   1HH1  ARG  29           HH2      ARG  29  21.805   1.364   1.364
  229   2HH1  ARG  29           HH2      ARG  29  21.735  -0.205  -0.205
  230    HH2  ARG  29           HH1      ARG  29  21.011  -2.077  -2.077
  231    H    ALA  30           HN       ALA  30  19.747   6.244   6.244
  232    HA   ALA  30           HA       ALA  30  21.084   7.658   7.658
  233   1HB   ALA  30           HB3      ALA  30  18.701   8.448   8.448
  234   2HB   ALA  30           HB1      ALA  30  18.755   7.698   7.698
  235   3HB   ALA  30           HB2      ALA  30  19.863   9.033   9.033
  236    HA   PRO  31           HA       PRO  31  22.741   4.784   4.784
  237   1HB   PRO  31           HB2      PRO  31  25.317   4.807   4.807
  238   2HB   PRO  31           HB3      PRO  31  24.126   3.633   3.633
  239   1HG   PRO  31           HG2      PRO  31  25.187   5.975   5.975
  240   2HG   PRO  31           HG3      PRO  31  24.342   4.576   4.576
  241   1HD   PRO  31           HD2      PRO  31  23.254   7.198   7.198
  242   2HD   PRO  31           HD3      PRO  31  22.381   5.772   5.772
  243    H    ARG  32           HN       ARG  32  24.252   4.983   4.983
  244    HA   ARG  32           HA       ARG  32  25.685   7.330   7.330
  245   1HB   ARG  32           HB2      ARG  32  22.845   7.549   7.549
  246   2HB   ARG  32           HB3      ARG  32  23.815   7.804   7.804
  247   1HG   ARG  32           HG2      ARG  32  24.409   9.222   9.222
  248   2HG   ARG  32           HG3      ARG  32  23.308   9.887   9.887
  249   1HD   ARG  32           HD2      ARG  32  25.108   9.903   9.903
  250   2HD   ARG  32           HD3      ARG  32  26.214   9.137   9.137
  251    HE   ARG  32           HE       ARG  32  25.561  11.945  11.945
  252   1HH1  ARG  32           HH2      ARG  32  26.937  10.438  10.438
  253   2HH1  ARG  32           HH2      ARG  32  26.309   9.358   9.358
  254    HH2  ARG  32           HH1      ARG  32  26.975  12.793  12.793
  255    H    LYS  33           HN       LYS  33  23.480   5.307   5.307
  256    HA   LYS  33           HA       LYS  33  23.863   4.159   4.159
  257   1HB   LYS  33           HB2      LYS  33  26.035   3.377   3.377
  258   2HB   LYS  33           HB3      LYS  33  26.237   2.879   2.879
  259   1HG   LYS  33           HG2      LYS  33  23.664   2.407   2.407
  260   2HG   LYS  33           HG3      LYS  33  24.965   1.235   1.235
  261   1HD   LYS  33           HD2      LYS  33  24.458   2.041   2.041
  262   2HD   LYS  33           HD3      LYS  33  22.890   1.777   1.777
  263   1HE   LYS  33           HE2      LYS  33  25.206  -0.218  -0.218
  264   2HE   LYS  33           HE3      LYS  33  23.802  -0.314  -0.314
  265   1HZ   LYS  33           HZ1      LYS  33  23.387  -0.158  -0.158
  266   2HZ   LYS  33           HZ2      LYS  33  23.810  -1.588  -1.588
  267    H    LYS  34           HN       LYS  34  23.937   5.633   5.633
  268    HA   LYS  34           HA       LYS  34  24.785   7.119   7.119
  269   1HB   LYS  34           HB2      LYS  34  26.117   6.078   6.078
  270   2HB   LYS  34           HB3      LYS  34  25.783   4.682   4.682
  271   1HG   LYS  34           HG2      LYS  34  27.919   5.679   5.679
  272   2HG   LYS  34           HG3      LYS  34  28.301   6.303   6.303
  273   1HD   LYS  34           HD2      LYS  34  28.452   4.137   4.137
  274   2HD   LYS  34           HD3      LYS  34  27.502   3.395   3.395
  275   1HE   LYS  34           HE2      LYS  34  29.314   3.561   3.561
  276   2HE   LYS  34           HE3      LYS  34  30.218   4.655   4.655
  277   1HZ   LYS  34           HZ1      LYS  34  30.492   1.939   1.939
  278   2HZ   LYS  34           HZ2      LYS  34  31.065   2.918   2.918
  279    H    GLY  35           HN       GLY  35  27.382   8.014   8.014
  280   1HA   GLY  35           HA1      GLY  35  27.772   9.954   9.954
  281   2HA   GLY  35           HA2      GLY  35  28.804   9.639   9.639
  282    H    CYS  36           HN       CYS  36  30.703   9.997   9.997
  283    HA   CYS  36           HA       CYS  36  31.200   8.659   8.659
  284   1HB   CYS  36           HB2      CYS  36  32.488  10.579  10.579
  285   2HB   CYS  36           HB3      CYS  36  33.185   9.570   9.570
  286    H    TRP  37           HN       TRP  37  31.334   6.473   6.473
  287    HA   TRP  37           HA       TRP  37  31.836   4.739   4.739
  288   1HB   TRP  37           HB2      TRP  37  29.947   4.457   4.457
  289   2HB   TRP  37           HB3      TRP  37  31.185   3.897   3.897
  290    HD1  TRP  37           HD1      TRP  37  32.635   2.421   2.421
  291    HE1  TRP  37           HE1      TRP  37  31.803  -0.001  -0.001
  292    HE3  TRP  37           HE3      TRP  37  28.326   2.622   2.622
  293    HZ2  TRP  37           HZ2      TRP  37  29.488  -1.526  -1.526
  294    HZ3  TRP  37           HZ3      TRP  37  26.836   0.624   0.624
  295    HH2  TRP  37           HH2      TRP  37  27.358  -1.400  -1.400
  296    H    LYS  38           HN       LYS  38  33.819   6.597   6.597
  297    HA   LYS  38           HA       LYS  38  35.691   4.480   4.480
  298   1HB   LYS  38           HB2      LYS  38  34.974   6.311   6.311
  299   2HB   LYS  38           HB3      LYS  38  35.912   7.420   7.420
  300   1HG   LYS  38           HG2      LYS  38  37.962   6.187   6.187
  301   2HG   LYS  38           HG3      LYS  38  37.095   4.826   4.826
  302   1HD   LYS  38           HD2      LYS  38  36.422   7.279   7.279
  303   2HD   LYS  38           HD3      LYS  38  38.161   7.064   7.064
  304   1HE   LYS  38           HE2      LYS  38  36.245   4.831   4.831
  305   2HE   LYS  38           HE3      LYS  38  36.948   5.945   5.945
  306   1HZ   LYS  38           HZ1      LYS  38  38.972   4.952   4.952
  307   2HZ   LYS  38           HZ2      LYS  38  38.858   4.700   4.700
  308    H    CYS  39           HN       CYS  39  35.293   7.481   7.481
  309    HA   CYS  39           HA       CYS  39  37.782   6.760   6.760
  310   1HB   CYS  39           HB2      CYS  39  37.743   9.100   9.100
  311   2HB   CYS  39           HB3      CYS  39  37.957   8.943   8.943
  312    H    GLY  40           HN       GLY  40  34.286   7.067   7.067
  313   1HA   GLY  40           HA1      GLY  40  32.963   6.117   6.117
  314   2HA   GLY  40           HA2      GLY  40  34.335   6.010   6.010
  315    H    LYS  41           HN       LYS  41  34.293   9.093   9.093
  316    HA   LYS  41           HA       LYS  41  33.156  10.223  10.223
  317   1HB   LYS  41           HB2      LYS  41  35.037  11.308  11.308
  318   2HB   LYS  41           HB3      LYS  41  34.280  12.333  12.333
  319   1HG   LYS  41           HG2      LYS  41  35.477   9.892   9.892
  320   2HG   LYS  41           HG3      LYS  41  36.653  10.892  10.892
  321   1HD   LYS  41           HD2      LYS  41  36.720  12.162  12.162
  322   2HD   LYS  41           HD3      LYS  41  35.149  12.777  12.777
  323   1HE   LYS  41           HE2      LYS  41  34.235  10.585  10.585
  324   2HE   LYS  41           HE3      LYS  41  35.800  10.583  10.583
  325   1HZ   LYS  41           HZ1      LYS  41  34.239  13.079  13.079
  326   2HZ   LYS  41           HZ2      LYS  41  33.845  11.922  11.922
  327    H    GLU  42           HN       GLU  42  31.503  11.817  11.817
  328    HA   GLU  42           HA       GLU  42  29.909  11.587  11.587
  329   1HB   GLU  42           HB2      GLU  42  28.032  12.254  12.254
  330   2HB   GLU  42           HB3      GLU  42  28.937  11.081  11.081
  331   1HG   GLU  42           HG2      GLU  42  30.026  13.705  13.705
  332   2HG   GLU  42           HG3      GLU  42  28.282  13.795  13.795
  333    HE2  GLU  42           HE2      GLU  42  27.494  12.023  12.023
  334    H    GLY  43           HN       GLY  43  28.701  13.622  13.622
  335   1HA   GLY  43           HA1      GLY  43  28.624  16.012  16.012
  336   2HA   GLY  43           HA2      GLY  43  30.313  16.051  16.051
  337    H    HIS  44           HN       HIS  44  30.999  13.757  13.757
  338    HA   HIS  44           HA       HIS  44  30.573  15.106  15.106
  339   1HB   HIS  44           HB2      HIS  44  32.861  15.058  15.058
  340   2HB   HIS  44           HB3      HIS  44  32.769  15.791  15.791
  341    HD1  HIS  44           HD1      HIS  44  33.740  14.436  14.436
  342    HD2  HIS  44           HD2      HIS  44  34.193  12.568  12.568
  343    HE1  HIS  44           HE1      HIS  44  35.414  12.542  12.542
  344    H    GLN  45           HN       GLN  45  32.454  13.200  13.200
  345    HA   GLN  45           HA       GLN  45  31.874  10.598  10.598
  346   1HB   GLN  45           HB2      GLN  45  30.217  10.203  10.203
  347   2HB   GLN  45           HB3      GLN  45  29.587  10.719  10.719
  348   1HG   GLN  45           HG2      GLN  45  30.410  12.977  12.977
  349   2HG   GLN  45           HG3      GLN  45  29.135  11.999  11.999
  350   1HE2  GLN  45           HE2      GLN  45  28.125  14.792  14.792
  351   2HE2  GLN  45           HE2      GLN  45  29.474  14.724  14.724
  352    H    MET  46           HN       MET  46  31.936   9.252   9.252
  353    HA   MET  46           HA       MET  46  34.472   9.595   9.595
  354   1HB   MET  46           HB2      MET  46  33.190   7.557   7.557
  355   2HB   MET  46           HB3      MET  46  31.985   8.444   8.444
  356   1HG   MET  46           HG2      MET  46  33.220   8.350   8.350
  357   2HG   MET  46           HG3      MET  46  34.682   8.864   8.864
  358   1HE   MET  46           HE2      MET  46  32.466   6.140   6.140
  359   2HE   MET  46           HE3      MET  46  33.206   4.604   4.604
  360   3HE   MET  46           HE1      MET  46  32.297   5.588   5.588
  361    H    LYS  47           HN       LYS  47  31.443  11.049  11.049
  362    HA   LYS  47           HA       LYS  47  32.198  12.025  12.025
  363   1HB   LYS  47           HB2      LYS  47  29.993  12.325  12.325
  364   2HB   LYS  47           HB3      LYS  47  30.690  13.602  13.602
  365   1HG   LYS  47           HG2      LYS  47  31.165  13.878  13.878
  366   2HG   LYS  47           HG3      LYS  47  29.484  13.993  13.993
  367   1HD   LYS  47           HD2      LYS  47  31.635  15.571  15.571
  368   2HD   LYS  47           HD3      LYS  47  30.925  16.179  16.179
  369   1HE   LYS  47           HE2      LYS  47  29.337  17.087  17.087
  370   2HE   LYS  47           HE3      LYS  47  28.651  15.474  15.474
  371   1HZ   LYS  47           HZ1      LYS  47  29.865  16.870  16.870
  372   2HZ   LYS  47           HZ2      LYS  47  29.055  15.458  15.458
  373    H    ASP  48           HN       ASP  48  33.449  12.977  12.977
  374    HA   ASP  48           HA       ASP  48  35.528  14.398  14.398
  375   1HB   ASP  48           HB2      ASP  48  33.459  15.744  15.744
  376   2HB   ASP  48           HB3      ASP  48  35.114  16.313  16.313
  377    HD2  ASP  48           HD2      ASP  48  32.580  17.337  17.337
  378    H    CYS  49           HN       CYS  49  35.448  11.942  11.942
  379    HA   CYS  49           HA       CYS  49  36.060  12.413  12.413
  380   1HB   CYS  49           HB2      CYS  49  35.079  10.306  10.306
  381   2HB   CYS  49           HB3      CYS  49  36.342   9.973   9.973
  382    H    THR  50           HN       THR  50  38.275  10.280  10.280
  383    HA   THR  50           HA       THR  50  40.501  10.276  10.276
  384    HB   THR  50           HB       THR  50  41.364  11.972  11.972
  385    HG1  THR  50           HG1      THR  50  40.878  14.088  14.088
  386   1HG2  THR  50           HG2      THR  50  39.088  10.929  10.929
  387   2HG2  THR  50           HG2      THR  50  38.390  12.505  12.505
  388   3HG2  THR  50           HG2      THR  50  39.663  12.413  12.413
  389    H    GLU  51           HN       GLU  51  39.107  11.291  11.291
  390    HA   GLU  51           HA       GLU  51  39.728  11.923  11.923
  391   1HB   GLU  51           HB2      GLU  51  41.752  10.368  10.368
  392   2HB   GLU  51           HB3      GLU  51  42.663  11.864  11.864
  393   1HG   GLU  51           HG2      GLU  51  41.388  12.127  12.127
  394   2HG   GLU  51           HG3      GLU  51  41.425  10.377  10.377
  395    HE2  GLU  51           HE2      GLU  51  44.548  11.737  11.737
  396    H    ARG  52           HN       ARG  52  40.185  13.847  13.847
  397    HA   ARG  52           HA       ARG  52  39.852  16.168  16.168
  398   1HB   ARG  52           HB2      ARG  52  41.390  15.398  15.398
  399   2HB   ARG  52           HB3      ARG  52  41.417  17.079  17.079
  400   1HG   ARG  52           HG2      ARG  52  39.130  17.384  17.384
  401   2HG   ARG  52           HG3      ARG  52  38.738  15.707  15.707
  402   1HD   ARG  52           HD2      ARG  52  39.206  15.024  15.024
  403   2HD   ARG  52           HD3      ARG  52  40.485  16.202  16.202
  404    HE   ARG  52           HE       ARG  52  38.251  17.800  17.800
  405   1HH1  ARG  52           HH2      ARG  52  39.011  14.943  14.943
  406   2HH1  ARG  52           HH2      ARG  52  37.999  15.423  15.423
  407    HH2  ARG  52           HH1      ARG  52  36.776  17.479  17.479
  408    H    GLN  53           HN       GLN  53  43.182  15.149  15.149
  409    HA   GLN  53           HA       GLN  53  44.374  17.079  17.079
  410   1HB   GLN  53           HB2      GLN  53  45.211  15.168  15.168
  411   2HB   GLN  53           HB3      GLN  53  46.374  15.252  15.252
  412   1HG   GLN  53           HG2      GLN  53  47.154  17.047  17.047
  413   2HG   GLN  53           HG3      GLN  53  45.944  17.906  17.906
  414   1HE2  GLN  53           HE2      GLN  53  44.681  19.159  19.159
  415   2HE2  GLN  53           HE2      GLN  53  45.457  19.443  19.443
  416    H    ALA  54           HN       ALA  54  46.101  16.485  16.485
  417    HA   ALA  54           HA       ALA  54  45.664  13.916  13.916
  418   1HB   ALA  54           HB2      ALA  54  44.620  16.510  16.510
  419   2HB   ALA  54           HB3      ALA  54  45.528  15.556  15.556
  420   3HB   ALA  54           HB1      ALA  54  44.111  14.849  14.849
  421    H    ASN  55           HN       ASN  55  47.398  13.364  13.364
  422    HA   ASN  55           HA       ASN  55  49.443  15.170  15.170
  423   1HB   ASN  55           HB2      ASN  55  49.605  13.840  13.840
  424   2HB   ASN  55           HB3      ASN  55  50.914  13.272  13.272
  425   1HD2  ASN  55           HD2      ASN  55  51.258  16.740  16.740
  426   2HD2  ASN  55           HD2      ASN  55  50.220  15.412  15.412

  Start of MODEL   11
    1    H    MET   1           HN       MET   1   1.884   0.000   0.000
    2    HA   MET   1           HA       MET   1   1.635   0.793   0.793
    3   1HB   MET   1           HB2      MET   1   4.110   0.301   0.301
    4   2HB   MET   1           HB3      MET   1   3.657   1.254   1.254
    5   1HG   MET   1           HG2      MET   1   3.619  -1.746  -1.746
    6   2HG   MET   1           HG3      MET   1   5.185  -0.965  -0.965
    7   1HE   MET   1           HE3      MET   1   3.421  -2.603  -2.603
    8   2HE   MET   1           HE1      MET   1   3.184  -1.728  -1.728
    9   3HE   MET   1           HE2      MET   1   1.998  -1.555  -1.555
   10    H    GLN   2           HN       GLN   2   2.118  -0.424  -0.424
   11    HA   GLN   2           HA       GLN   2   2.658  -3.142  -3.142
   12   1HB   GLN   2           HB2      GLN   2   0.361  -3.356  -3.356
   13   2HB   GLN   2           HB3      GLN   2  -0.277  -2.452  -2.452
   14   1HG   GLN   2           HG2      GLN   2   1.243  -4.485  -4.485
   15   2HG   GLN   2           HG3      GLN   2   0.504  -5.290  -5.290
   16   1HE2  GLN   2           HE2      GLN   2  -2.422  -5.807  -5.807
   17   2HE2  GLN   2           HE2      GLN   2  -1.143  -6.396  -6.396
   18    H    LYS   3           HN       LYS   3   0.544  -0.804  -0.804
   19    HA   LYS   3           HA       LYS   3   2.395  -0.426  -0.426
   20   1HB   LYS   3           HB2      LYS   3   2.010  -2.770  -2.770
   21   2HB   LYS   3           HB3      LYS   3   0.279  -2.505  -2.505
   22   1HG   LYS   3           HG2      LYS   3   0.599  -2.099  -2.099
   23   2HG   LYS   3           HG3      LYS   3   1.200  -0.532  -0.532
   24   1HD   LYS   3           HD2      LYS   3   2.950  -1.361  -1.361
   25   2HD   LYS   3           HD3      LYS   3   3.518  -1.699  -1.699
   26   1HE   LYS   3           HE2      LYS   3   3.632  -3.911  -3.911
   27   2HE   LYS   3           HE3      LYS   3   1.911  -3.943  -3.943
   28   1HZ   LYS   3           HZ1      LYS   3   2.309  -3.986  -3.986
   29   2HZ   LYS   3           HZ2      LYS   3   3.378  -2.758  -2.758
   30    H    GLY   4           HN       GLY   4   1.741   1.293   1.293
   31   1HA   GLY   4           HA1      GLY   4   0.210   2.737   2.737
   32   2HA   GLY   4           HA2      GLY   4  -1.071   2.074   2.074
   33    H    ASN   5           HN       ASN   5  -0.435   4.916   4.916
   34    HA   ASN   5           HA       ASN   5   0.615   5.619   5.619
   35   1HB   ASN   5           HB2      ASN   5   0.709   7.958   7.958
   36   2HB   ASN   5           HB3      ASN   5   1.684   6.803   6.803
   37   1HD2  ASN   5           HD2      ASN   5  -0.262   6.752   6.752
   38   2HD2  ASN   5           HD2      ASN   5   0.878   5.898   5.898
   39    H    PHE   6           HN       PHE   6  -0.589   7.612   7.612
   40    HA   PHE   6           HA       PHE   6  -3.455   7.114   7.114
   41   1HB   PHE   6           HB2      PHE   6  -2.350   6.874   6.874
   42   2HB   PHE   6           HB3      PHE   6  -1.639   8.469   8.469
   43    HD1  PHE   6           HD2      PHE   6  -5.075   7.006   7.006
   44    HD2  PHE   6           HD1      PHE   6  -2.610  10.071  10.071
   45    HE1  PHE   6           HE2      PHE   6  -7.065   8.006   8.006
   46    HE2  PHE   6           HE1      PHE   6  -4.601  11.071  11.071
   47   1HZ   PHE   6           HZ       PHE   6  -6.805  10.026  10.026
   48    H    ARG   7           HN       ARG   7  -3.963   8.405   8.405
   49    HA   ARG   7           HA       ARG   7  -3.719  11.243  11.243
   50   1HB   ARG   7           HB2      ARG   7  -3.124   9.766   9.766
   51   2HB   ARG   7           HB3      ARG   7  -3.616  11.447  11.447
   52   1HG   ARG   7           HG2      ARG   7  -1.381  10.609  10.609
   53   2HG   ARG   7           HG3      ARG   7  -1.041  10.813  10.813
   54   1HD   ARG   7           HD2      ARG   7  -0.692  13.009  13.009
   55   2HD   ARG   7           HD3      ARG   7  -2.437  13.124  13.124
   56    HE   ARG   7           HE       ARG   7  -1.461  12.247  12.247
   57   1HH1  ARG   7           HH2      ARG   7  -2.399  15.014  15.014
   58   2HH1  ARG   7           HH2      ARG   7  -2.710  16.048  16.048
   59    HH2  ARG   7           HH1      ARG   7  -2.392  15.201  15.201
   60    H    ASN   8           HN       ASN   8  -5.893  11.498  11.498
   61    HA   ASN   8           HA       ASN   8  -8.072  11.477  11.477
   62   1HB   ASN   8           HB2      ASN   8  -9.061  12.516  12.516
   63   2HB   ASN   8           HB3      ASN   8  -7.464  13.208  13.208
   64   1HD2  ASN   8           HD2      ASN   8  -6.309  12.312  12.312
   65   2HD2  ASN   8           HD2      ASN   8  -6.213  13.290  13.290
   66    H    GLN   9           HN       GLN   9  -9.990  10.752  10.752
   67    HA   GLN   9           HA       GLN   9  -9.342   7.929   7.929
   68   1HB   GLN   9           HB2      GLN   9 -11.723   7.418   7.418
   69   2HB   GLN   9           HB3      GLN   9 -11.073   8.273   8.273
   70   1HG   GLN   9           HG2      GLN   9 -11.983  10.433  10.433
   71   2HG   GLN   9           HG3      GLN   9 -12.719   9.507   9.507
   72   1HE2  GLN   9           HE2      GLN   9 -15.513   9.809   9.809
   73   2HE2  GLN   9           HE2      GLN   9 -14.633  10.602  10.602
   74    H    ARG  10           HN       ARG  10 -10.798   6.902   6.902
   75    HA   ARG  10           HA       ARG  10 -11.462   6.827   6.827
   76   1HB   ARG  10           HB2      ARG  10 -12.296   9.522   9.522
   77   2HB   ARG  10           HB3      ARG  10 -11.871   9.499   9.499
   78   1HG   ARG  10           HG2      ARG  10 -13.637   7.310   7.310
   79   2HG   ARG  10           HG3      ARG  10 -14.332   8.871   8.871
   80   1HD   ARG  10           HD2      ARG  10 -12.805   8.318   8.318
   81   2HD   ARG  10           HD3      ARG  10 -13.389   6.730   6.730
   82    HE   ARG  10           HE       ARG  10 -15.550   8.632   8.632
   83   1HH1  ARG  10           HH2      ARG  10 -14.815   6.874   6.874
   84   2HH1  ARG  10           HH2      ARG  10 -13.587   6.857   6.857
   85    HH2  ARG  10           HH1      ARG  10 -16.914   7.936   7.936
   86    H    LYS  11           HN       LYS  11  -9.879  10.110  10.110
   87    HA   LYS  11           HA       LYS  11  -7.903  10.758  10.758
   88   1HB   LYS  11           HB2      LYS  11  -7.296   8.184   8.184
   89   2HB   LYS  11           HB3      LYS  11  -7.202   8.155   8.155
   90   1HG   LYS  11           HG2      LYS  11  -5.361   9.555   9.555
   91   2HG   LYS  11           HG3      LYS  11  -5.887  10.501  10.501
   92   1HD   LYS  11           HD2      LYS  11  -4.963   7.630   7.630
   93   2HD   LYS  11           HD3      LYS  11  -3.796   8.932   8.932
   94   1HE   LYS  11           HE2      LYS  11  -4.447   9.877   9.877
   95   2HE   LYS  11           HE3      LYS  11  -6.106   9.333   9.333
   96   1HZ   LYS  11           HZ1      LYS  11  -5.084   7.991   7.991
   97   2HZ   LYS  11           HZ2      LYS  11  -5.197   7.014   7.014
   98    H    THR  12           HN       THR  12  -7.388  11.796  11.796
   99    HA   THR  12           HA       THR  12  -9.431  11.526  11.526
  100    HB   THR  12           HB       THR  12  -8.262  13.580  13.580
  101    HG1  THR  12           HG1      THR  12  -6.176  13.746  13.746
  102   1HG2  THR  12           HG2      THR  12  -9.473  13.328  13.328
  103   2HG2  THR  12           HG2      THR  12  -8.162  14.531  14.531
  104   3HG2  THR  12           HG2      THR  12  -9.501  14.726  14.726
  105    H    VAL  13           HN       VAL  13  -8.783  11.547  11.547
  106    HA   VAL  13           HA       VAL  13  -6.544   9.673   9.673
  107    HB   VAL  13           HB       VAL  13  -7.825   8.753   8.753
  108   1HG1  VAL  13           HG1      VAL  13  -8.184   8.283   8.283
  109   2HG1  VAL  13           HG1      VAL  13  -9.841   8.375   8.375
  110   3HG1  VAL  13           HG1      VAL  13  -8.680   7.217   7.217
  111   1HG2  VAL  13           HG2      VAL  13 -10.025  10.598  10.598
  112   2HG2  VAL  13           HG2      VAL  13  -9.204  10.655  10.655
  113   3HG2  VAL  13           HG2      VAL  13 -10.253   9.276   9.276
  114    H    LYS  14           HN       LYS  14  -5.375   9.865   9.865
  115    HA   LYS  14           HA       LYS  14  -5.648  12.561  12.561
  116   1HB   LYS  14           HB2      LYS  14  -3.230  12.672  12.672
  117   2HB   LYS  14           HB3      LYS  14  -3.692  12.438  12.438
  118   1HG   LYS  14           HG2      LYS  14  -3.412   9.824   9.824
  119   2HG   LYS  14           HG3      LYS  14  -2.019  10.755  10.755
  120   1HD   LYS  14           HD2      LYS  14  -2.295  11.453  11.453
  121   2HD   LYS  14           HD3      LYS  14  -2.710   9.750   9.750
  122   1HE   LYS  14           HE2      LYS  14  -0.561   9.383   9.383
  123   2HE   LYS  14           HE3      LYS  14  -0.131  11.035  11.035
  124   1HZ   LYS  14           HZ1      LYS  14  -0.877   9.209   9.209
  125   2HZ   LYS  14           HZ2      LYS  14   0.621   9.104   9.104
  126    H    CYS  15           HN       CYS  15  -5.457  12.750  12.750
  127    HA   CYS  15           HA       CYS  15  -5.924  10.264  10.264
  128   1HB   CYS  15           HB2      CYS  15  -7.343  12.189  12.189
  129   2HB   CYS  15           HB3      CYS  15  -5.952  13.131  13.131
  130    H    PHE  16           HN       PHE  16  -4.146   9.086   9.086
  131    HA   PHE  16           HA       PHE  16  -1.631  10.448  10.448
  132   1HB   PHE  16           HB2      PHE  16  -2.706   7.795   7.795
  133   2HB   PHE  16           HB3      PHE  16  -1.637   7.645   7.645
  134    HD1  PHE  16           HD2      PHE  16   0.563   9.361   9.361
  135    HD2  PHE  16           HD1      PHE  16  -1.659   7.165   7.165
  136    HE1  PHE  16           HE2      PHE  16   2.548   9.363   9.363
  137    HE2  PHE  16           HE1      PHE  16   0.325   7.167   7.167
  138   1HZ   PHE  16           HZ       PHE  16   2.405   8.266   8.266
  139    H    ASN  17           HN       ASN  17  -4.243  10.353  10.353
  140    HA   ASN  17           HA       ASN  17  -2.874   9.437   9.437
  141   1HB   ASN  17           HB2      ASN  17  -5.295   8.814   8.814
  142   2HB   ASN  17           HB3      ASN  17  -5.724  10.510  10.510
  143   1HD2  ASN  17           HD2      ASN  17  -6.411   8.918   8.918
  144   2HD2  ASN  17           HD2      ASN  17  -6.918   8.721   8.721
  145    H    CYS  18           HN       CYS  18  -4.405  12.340  12.340
  146    HA   CYS  18           HA       CYS  18  -3.283  13.969  13.969
  147   1HB   CYS  18           HB2      CYS  18  -4.865  15.712  15.712
  148   2HB   CYS  18           HB3      CYS  18  -5.643  14.257  14.257
  149    H    GLY  19           HN       GLY  19  -3.606  13.474  13.474
  150   1HA   GLY  19           HA1      GLY  19  -1.740  13.814  13.814
  151   2HA   GLY  19           HA2      GLY  19  -1.178  15.102  15.102
  152    H    LYS  20           HN       LYS  20  -4.628  14.773  14.773
  153    HA   LYS  20           HA       LYS  20  -4.343  17.179  17.179
  154   1HB   LYS  20           HB2      LYS  20  -5.989  16.622  16.622
  155   2HB   LYS  20           HB3      LYS  20  -7.013  16.926  16.926
  156   1HG   LYS  20           HG2      LYS  20  -5.279  18.942  18.942
  157   2HG   LYS  20           HG3      LYS  20  -5.000  18.752  18.752
  158   1HD   LYS  20           HD2      LYS  20  -7.842  18.664  18.664
  159   2HD   LYS  20           HD3      LYS  20  -7.248  20.004  20.004
  160   1HE   LYS  20           HE2      LYS  20  -6.204  19.692  19.692
  161   2HE   LYS  20           HE3      LYS  20  -7.829  20.311  20.311
  162   1HZ   LYS  20           HZ1      LYS  20  -5.655  21.497  21.497
  163   2HZ   LYS  20           HZ2      LYS  20  -5.811  21.942  21.942
  164    H    GLU  21           HN       GLU  21  -5.124  17.134  17.134
  165    HA   GLU  21           HA       GLU  21  -5.882  14.559  14.559
  166   1HB   GLU  21           HB2      GLU  21  -5.748  15.595  15.595
  167   2HB   GLU  21           HB3      GLU  21  -4.336  16.018  16.018
  168   1HG   GLU  21           HG2      GLU  21  -6.280  18.023  18.023
  169   2HG   GLU  21           HG3      GLU  21  -6.363  17.772  17.772
  170    HE1  GLU  21           HE2      GLU  21  -2.956  17.715  17.715
  171    H    GLY  22           HN       GLY  22  -7.920  13.883  13.883
  172   1HA   GLY  22           HA1      GLY  22 -10.064  14.878  14.878
  173   2HA   GLY  22           HA2      GLY  22 -10.125  15.759  15.759
  174    H    HIS  23           HN       HIS  23  -8.629  13.111  13.111
  175    HA   HIS  23           HA       HIS  23 -10.735  11.198  11.198
  176   1HB   HIS  23           HB2      HIS  23 -11.471  11.258  11.258
  177   2HB   HIS  23           HB3      HIS  23 -11.636  12.881  12.881
  178    HD1  HIS  23           HD1      HIS  23  -9.580  14.588  14.588
  179    HD2  HIS  23           HD2      HIS  23 -10.044  11.103  11.103
  180    HE1  HIS  23           HE1      HIS  23  -8.313  14.989  14.989
  181    H    ILE  24           HN       ILE  24 -10.159   9.398   9.398
  182    HA   ILE  24           HA       ILE  24  -7.244   9.093   9.093
  183    HB   ILE  24           HB       ILE  24  -7.713   6.658   6.658
  184   1HG1  ILE  24           HG1      ILE  24 -10.602   7.472   7.472
  185   2HG1  ILE  24           HG1      ILE  24  -9.957   6.835   6.835
  186   1HG2  ILE  24           HG2      ILE  24  -8.792   8.316   8.316
  187   2HG2  ILE  24           HG2      ILE  24  -8.622   6.546   6.546
  188   3HG2  ILE  24           HG2      ILE  24  -7.186   7.568   7.568
  189   1HD1  ILE  24           HD1      ILE  24  -9.104   4.828   4.828
  190   2HD1  ILE  24           HD1      ILE  24 -10.233   5.431   5.431
  191   3HD1  ILE  24           HD1      ILE  24 -10.845   4.923   4.923
  192    H    ALA  25           HN       ALA  25  -6.343   7.634   7.634
  193    HA   ALA  25           HA       ALA  25  -6.816   8.895   8.895
  194   1HB   ALA  25           HB3      ALA  25  -5.492   6.268   6.268
  195   2HB   ALA  25           HB1      ALA  25  -5.471   6.921   6.921
  196   3HB   ALA  25           HB2      ALA  25  -4.712   7.834   7.834
  197    H    LYS  26           HN       LYS  26  -8.133   5.867   5.867
  198    HA   LYS  26           HA       LYS  26  -9.431   5.017   5.017
  199   1HB   LYS  26           HB2      LYS  26  -8.851   3.574   3.574
  200   2HB   LYS  26           HB3      LYS  26 -10.077   4.385   4.385
  201   1HG   LYS  26           HG2      LYS  26 -11.450   3.689   3.689
  202   2HG   LYS  26           HG3      LYS  26 -10.389   2.319   2.319
  203   1HD   LYS  26           HD2      LYS  26 -11.863   3.389   3.389
  204   2HD   LYS  26           HD3      LYS  26 -12.810   2.532   2.532
  205   1HE   LYS  26           HE2      LYS  26 -10.223   1.338   1.338
  206   2HE   LYS  26           HE3      LYS  26 -11.716   1.165   1.165
  207   1HZ   LYS  26           HZ1      LYS  26 -11.398  -0.695  -0.695
  208   2HZ   LYS  26           HZ2      LYS  26 -12.720   0.140   0.140
  209    H    ASN  27           HN       ASN  27 -10.022   7.614   7.614
  210    HA   ASN  27           HA       ASN  27 -12.777   7.746   7.746
  211   1HB   ASN  27           HB2      ASN  27 -11.543   8.196   8.196
  212   2HB   ASN  27           HB3      ASN  27 -12.158   9.741   9.741
  213   1HD2  ASN  27           HD2      ASN  27 -14.795   6.549   6.549
  214   2HD2  ASN  27           HD2      ASN  27 -13.163   6.322   6.322
  215    H    CYS  28           HN       CYS  28 -10.020   8.589   8.589
  216    HA   CYS  28           HA       CYS  28 -10.133  11.440  11.440
  217   1HB   CYS  28           HB2      CYS  28  -8.013  10.099  10.099
  218   2HB   CYS  28           HB3      CYS  28  -8.530   9.611   9.611
  219    H    ARG  29           HN       ARG  29 -11.667  12.544  12.544
  220    HA   ARG  29           HA       ARG  29 -13.082  11.155  11.155
  221   1HB   ARG  29           HB2      ARG  29 -14.506  13.154  13.154
  222   2HB   ARG  29           HB3      ARG  29 -14.193  12.748  12.748
  223   1HG   ARG  29           HG2      ARG  29 -13.167  14.739  14.739
  224   2HG   ARG  29           HG3      ARG  29 -12.092  14.512  14.512
  225   1HD   ARG  29           HD2      ARG  29 -13.465  15.692  15.692
  226   2HD   ARG  29           HD3      ARG  29 -14.940  15.220  15.220
  227    HE   ARG  29           HE       ARG  29 -13.342  17.580  17.580
  228   1HH1  ARG  29           HH2      ARG  29 -15.486  15.212  15.212
  229   2HH1  ARG  29           HH2      ARG  29 -15.968  16.287  16.287
  230    HH2  ARG  29           HH1      ARG  29 -15.070  18.508  18.508
  231    H    ALA  30           HN       ALA  30 -10.088  12.514  12.514
  232    HA   ALA  30           HA       ALA  30  -9.817  14.418  14.418
  233   1HB   ALA  30           HB1      ALA  30  -8.225  11.882  11.882
  234   2HB   ALA  30           HB2      ALA  30  -7.687  13.130  13.130
  235   3HB   ALA  30           HB3      ALA  30  -7.885  13.533  13.533
  236    HA   PRO  31           HA       PRO  31 -11.903  12.435  12.435
  237   1HB   PRO  31           HB2      PRO  31 -12.661  14.727  14.727
  238   2HB   PRO  31           HB3      PRO  31 -13.640  13.944  13.944
  239   1HG   PRO  31           HG2      PRO  31 -12.012  16.402  16.402
  240   2HG   PRO  31           HG3      PRO  31 -13.306  15.845  15.845
  241   1HD   PRO  31           HD2      PRO  31 -10.491  15.717  15.717
  242   2HD   PRO  31           HD3      PRO  31 -11.779  15.056  15.056
  243    H    ARG  32           HN       ARG  32  -9.597  11.703  11.703
  244    HA   ARG  32           HA       ARG  32  -8.301  13.361  13.361
  245   1HB   ARG  32           HB2      ARG  32  -6.447  11.666  11.666
  246   2HB   ARG  32           HB3      ARG  32  -6.895  12.360  12.360
  247   1HG   ARG  32           HG2      ARG  32  -8.604  10.101  10.101
  248   2HG   ARG  32           HG3      ARG  32  -7.006   9.576   9.576
  249   1HD   ARG  32           HD2      ARG  32  -7.606  10.990  10.990
  250   2HD   ARG  32           HD3      ARG  32  -7.466   9.252   9.252
  251    HE   ARG  32           HE       ARG  32  -5.103  10.097  10.097
  252   1HH1  ARG  32           HH2      ARG  32  -6.710  10.927  10.927
  253   2HH1  ARG  32           HH2      ARG  32  -5.228  11.247  11.247
  254    HH2  ARG  32           HH1      ARG  32  -3.146  11.001  11.001
  255    H    LYS  33           HN       LYS  33 -10.279  12.907  12.907
  256    HA   LYS  33           HA       LYS  33 -11.021  10.524  10.524
  257   1HB   LYS  33           HB2      LYS  33 -11.245  11.876  11.876
  258   2HB   LYS  33           HB3      LYS  33 -12.222  12.289  12.289
  259   1HG   LYS  33           HG2      LYS  33 -11.182  14.309  14.309
  260   2HG   LYS  33           HG3      LYS  33  -9.588  13.643  13.643
  261   1HD   LYS  33           HD2      LYS  33  -9.762  14.922  14.922
  262   2HD   LYS  33           HD3      LYS  33 -10.523  13.465  13.465
  263   1HE   LYS  33           HE2      LYS  33 -12.131  15.684  15.684
  264   2HE   LYS  33           HE3      LYS  33 -11.783  15.698  15.698
  265   1HZ   LYS  33           HZ1      LYS  33 -12.740  13.261  13.261
  266   2HZ   LYS  33           HZ2      LYS  33 -13.498  13.849  13.849
  267    H    LYS  34           HN       LYS  34  -8.078  12.403  12.403
  268    HA   LYS  34           HA       LYS  34  -7.169  10.969  10.969
  269   1HB   LYS  34           HB2      LYS  34  -4.879  11.555  11.555
  270   2HB   LYS  34           HB3      LYS  34  -5.999  12.901  12.901
  271   1HG   LYS  34           HG2      LYS  34  -6.478  12.403  12.403
  272   2HG   LYS  34           HG3      LYS  34  -5.097  11.325  11.325
  273   1HD   LYS  34           HD2      LYS  34  -3.622  13.055  13.055
  274   2HD   LYS  34           HD3      LYS  34  -4.425  13.908  13.908
  275   1HE   LYS  34           HE2      LYS  34  -5.977  14.972  14.972
  276   2HE   LYS  34           HE3      LYS  34  -5.619  13.858  13.858
  277   1HZ   LYS  34           HZ1      LYS  34  -3.233  14.845  14.845
  278   2HZ   LYS  34           HZ2      LYS  34  -3.972  16.093  16.093
  279    H    GLY  35           HN       GLY  35  -6.429   8.936   8.936
  280   1HA   GLY  35           HA1      GLY  35  -5.054   7.105   7.105
  281   2HA   GLY  35           HA2      GLY  35  -6.237   7.106   7.106
  282    H    CYS  36           HN       CYS  36  -6.085   4.713   4.713
  283    HA   CYS  36           HA       CYS  36  -7.746   4.476   4.476
  284   1HB   CYS  36           HB2      CYS  36  -5.775   3.016   3.016
  285   2HB   CYS  36           HB3      CYS  36  -6.617   2.315   2.315
  286    H    TRP  37           HN       TRP  37  -9.957   4.578   4.578
  287    HA   TRP  37           HA       TRP  37 -11.150   4.106   4.106
  288   1HB   TRP  37           HB2      TRP  37 -11.626   5.931   5.931
  289   2HB   TRP  37           HB3      TRP  37 -12.937   4.782   4.782
  290    HD1  TRP  37           HD1      TRP  37 -11.505   7.238   7.238
  291    HE1  TRP  37           HE1      TRP  37 -13.341   7.888   7.888
  292    HE3  TRP  37           HE3      TRP  37 -15.028   3.973   3.973
  293    HZ2  TRP  37           HZ2      TRP  37 -16.001   6.984   6.984
  294    HZ3  TRP  37           HZ3      TRP  37 -17.218   3.920   3.920
  295    HH2  TRP  37           HH2      TRP  37 -17.731   5.356   5.356
  296    H    LYS  38           HN       LYS  38  -9.931   2.060   2.060
  297    HA   LYS  38           HA       LYS  38 -12.344   0.430   0.430
  298   1HB   LYS  38           HB2      LYS  38 -10.819   1.074   1.074
  299   2HB   LYS  38           HB3      LYS  38  -9.674  -0.072  -0.072
  300   1HG   LYS  38           HG2      LYS  38 -11.738  -1.724  -1.724
  301   2HG   LYS  38           HG3      LYS  38 -12.464  -0.600  -0.600
  302   1HD   LYS  38           HD2      LYS  38  -9.671  -1.722  -1.722
  303   2HD   LYS  38           HD3      LYS  38 -11.098  -2.597  -2.597
  304   1HE   LYS  38           HE2      LYS  38 -11.647  -1.029  -1.029
  305   2HE   LYS  38           HE3      LYS  38 -10.918   0.306   0.306
  306   1HZ   LYS  38           HZ1      LYS  38  -9.299  -1.865  -1.865
  307   2HZ   LYS  38           HZ2      LYS  38  -9.639  -0.482  -0.482
  308    H    CYS  39           HN       CYS  39  -8.954   0.445   0.445
  309    HA   CYS  39           HA       CYS  39  -9.603  -2.034  -2.034
  310   1HB   CYS  39           HB2      CYS  39  -7.122  -2.218  -2.218
  311   2HB   CYS  39           HB3      CYS  39  -7.705  -2.396  -2.396
  312    H    GLY  40           HN       GLY  40  -8.854   1.403   1.403
  313   1HA   GLY  40           HA1      GLY  40  -9.336   2.701   2.701
  314   2HA   GLY  40           HA2      GLY  40  -9.252   1.289   1.289
  315    H    LYS  41           HN       LYS  41  -6.666   1.342   1.342
  316    HA   LYS  41           HA       LYS  41  -4.799   1.875   1.875
  317   1HB   LYS  41           HB2      LYS  41  -4.557   1.012   1.012
  318   2HB   LYS  41           HB3      LYS  41  -3.149   1.439   1.439
  319   1HG   LYS  41           HG2      LYS  41  -5.121  -0.472  -0.472
  320   2HG   LYS  41           HG3      LYS  41  -4.130  -1.080  -1.080
  321   1HD   LYS  41           HD2      LYS  41  -2.990   0.343   0.343
  322   2HD   LYS  41           HD3      LYS  41  -3.139  -1.398  -1.398
  323   1HE   LYS  41           HE2      LYS  41  -1.793  -1.158  -1.158
  324   2HE   LYS  41           HE3      LYS  41  -1.395   0.452   0.452
  325   1HZ   LYS  41           HZ1      LYS  41  -0.943  -1.917  -1.917
  326   2HZ   LYS  41           HZ2      LYS  41   0.184  -1.424  -1.424
  327    H    GLU  42           HN       GLU  42  -4.154   3.873   3.873
  328    HA   GLU  42           HA       GLU  42  -4.721   6.037   6.037
  329   1HB   GLU  42           HB2      GLU  42  -4.074   7.465   7.465
  330   2HB   GLU  42           HB3      GLU  42  -5.083   6.172   6.172
  331   1HG   GLU  42           HG2      GLU  42  -2.588   5.017   5.017
  332   2HG   GLU  42           HG3      GLU  42  -2.184   6.704   6.704
  333    HE1  GLU  42           HE2      GLU  42  -5.178   5.909   5.909
  334    H    GLY  43           HN       GLY  43  -3.141   4.887   4.887
  335   1HA   GLY  43           HA1      GLY  43  -0.703   6.414   6.414
  336   2HA   GLY  43           HA2      GLY  43  -0.441   4.701   4.701
  337    H    HIS  44           HN       HIS  44  -1.676   3.178   3.178
  338    HA   HIS  44           HA       HIS  44  -1.033   4.119   4.119
  339   1HB   HIS  44           HB2      HIS  44  -1.146   1.890   1.890
  340   2HB   HIS  44           HB3      HIS  44  -0.519   1.814   1.814
  341    HD1  HIS  44           HD1      HIS  44  -1.795   0.403   0.403
  342    HD2  HIS  44           HD2      HIS  44  -3.996   1.178   1.178
  343    HE1  HIS  44           HE1      HIS  44  -3.903  -1.027  -1.027
  344    H    GLN  45           HN       GLN  45  -2.892   2.871   2.871
  345    HA   GLN  45           HA       GLN  45  -5.518   3.474   3.474
  346   1HB   GLN  45           HB2      GLN  45  -3.991   5.487   5.487
  347   2HB   GLN  45           HB3      GLN  45  -5.653   5.188   5.188
  348   1HG   GLN  45           HG2      GLN  45  -6.119   5.441   5.441
  349   2HG   GLN  45           HG3      GLN  45  -4.589   6.295   6.295
  350   1HE2  GLN  45           HE2      GLN  45  -7.662   8.493   8.493
  351   2HE2  GLN  45           HE2      GLN  45  -7.370   7.187   7.187
  352    H    MET  46           HN       MET  46  -6.869   3.661   3.661
  353    HA   MET  46           HA       MET  46  -6.843   1.120   1.120
  354   1HB   MET  46           HB2      MET  46  -8.106   2.118   2.118
  355   2HB   MET  46           HB3      MET  46  -8.699   2.664   2.664
  356   1HG   MET  46           HG2      MET  46  -8.492   4.747   4.747
  357   2HG   MET  46           HG3      MET  46  -6.830   4.597   4.597
  358   1HE   MET  46           HE2      MET  46  -8.806   5.811   5.811
  359   2HE   MET  46           HE3      MET  46  -7.208   6.596   6.596
  360   3HE   MET  46           HE1      MET  46  -7.821   5.803   5.803
  361    H    LYS  47           HN       LYS  47  -5.018   3.972   3.972
  362    HA   LYS  47           HA       LYS  47  -4.129   3.144   3.144
  363   1HB   LYS  47           HB2      LYS  47  -3.556   5.227   5.227
  364   2HB   LYS  47           HB3      LYS  47  -2.149   4.287   4.287
  365   1HG   LYS  47           HG2      LYS  47  -1.345   5.437   5.437
  366   2HG   LYS  47           HG3      LYS  47  -1.846   3.918   3.918
  367   1HD   LYS  47           HD2      LYS  47  -3.290   5.018   5.018
  368   2HD   LYS  47           HD3      LYS  47  -4.163   5.611   5.611
  369   1HE   LYS  47           HE2      LYS  47  -3.518   7.656   7.656
  370   2HE   LYS  47           HE3      LYS  47  -2.089   7.340   7.340
  371   1HZ   LYS  47           HZ1      LYS  47  -0.977   7.507   7.507
  372   2HZ   LYS  47           HZ2      LYS  47  -1.589   6.062   6.062
  373    H    ASP  48           HN       ASP  48  -3.357   1.733   1.733
  374    HA   ASP  48           HA       ASP  48  -2.185  -0.477  -0.477
  375   1HB   ASP  48           HB2      ASP  48  -0.279   1.157   1.157
  376   2HB   ASP  48           HB3      ASP  48  -0.609   0.965   0.965
  377    HD1  ASP  48           HD2      ASP  48   0.123  -1.088  -1.088
  378    H    CYS  49           HN       CYS  49  -4.627  -0.148  -0.148
  379    HA   CYS  49           HA       CYS  49  -4.247  -0.876  -0.876
  380   1HB   CYS  49           HB2      CYS  49  -6.201   0.404   0.404
  381   2HB   CYS  49           HB3      CYS  49  -6.707  -0.790  -0.790
  382    H    THR  50           HN       THR  50  -3.260  -2.861  -2.861
  383    HA   THR  50           HA       THR  50  -3.784  -5.074  -5.074
  384    HB   THR  50           HB       THR  50  -2.151  -4.784  -4.784
  385    HG1  THR  50           HG1      THR  50  -1.539  -4.850  -4.850
  386   1HG2  THR  50           HG2      THR  50  -2.112  -6.897  -6.897
  387   2HG2  THR  50           HG2      THR  50  -0.914  -6.767  -6.767
  388   3HG2  THR  50           HG2      THR  50  -2.605  -7.179  -7.179
  389    H    GLU  51           HN       GLU  51  -5.711  -3.653  -3.653
  390    HA   GLU  51           HA       GLU  51  -6.494  -6.117  -6.117
  391   1HB   GLU  51           HB2      GLU  51  -6.317  -3.663  -3.663
  392   2HB   GLU  51           HB3      GLU  51  -7.942  -3.503  -3.503
  393   1HG   GLU  51           HG2      GLU  51  -8.166  -4.319  -4.319
  394   2HG   GLU  51           HG3      GLU  51  -8.556  -5.662  -5.662
  395    HE2  GLU  51           HE2      GLU  51  -7.136  -7.288  -7.288
  396    H    ARG  52           HN       ARG  52  -8.740  -6.901  -6.901
  397    HA   ARG  52           HA       ARG  52 -10.574  -7.446  -7.446
  398   1HB   ARG  52           HB2      ARG  52 -10.349  -4.558  -4.558
  399   2HB   ARG  52           HB3      ARG  52 -11.417  -5.495  -5.495
  400   1HG   ARG  52           HG2      ARG  52 -11.627  -5.731  -5.731
  401   2HG   ARG  52           HG3      ARG  52 -12.373  -4.377  -4.377
  402   1HD   ARG  52           HD2      ARG  52 -12.878  -7.261  -7.261
  403   2HD   ARG  52           HD3      ARG  52 -13.849  -6.472  -6.472
  404    HE   ARG  52           HE       ARG  52 -13.600  -4.916  -4.916
  405   1HH1  ARG  52           HH2      ARG  52 -15.475  -7.402  -7.402
  406   2HH1  ARG  52           HH2      ARG  52 -16.904  -7.141  -7.141
  407    HH2  ARG  52           HH1      ARG  52 -16.888  -5.473  -5.473
  408    H    GLN  53           HN       GLN  53  -9.324  -5.343  -5.343
  409    HA   GLN  53           HA       GLN  53  -8.564  -5.791  -5.791
  410   1HB   GLN  53           HB2      GLN  53  -8.221  -8.724  -8.724
  411   2HB   GLN  53           HB3      GLN  53  -7.352  -7.819  -7.819
  412   1HG   GLN  53           HG2      GLN  53  -5.761  -7.380  -7.380
  413   2HG   GLN  53           HG3      GLN  53  -6.919  -6.351  -6.351
  414   1HE2  GLN  53           HE2      GLN  53  -6.385 -10.282 -10.282
  415   2HE2  GLN  53           HE2      GLN  53  -6.146  -9.803  -9.803
  416    H    ALA  54           HN       ALA  54 -10.197  -8.940  -8.940
  417    HA   ALA  54           HA       ALA  54 -11.521  -9.084  -9.084
  418   1HB   ALA  54           HB3      ALA  54 -11.381 -10.556 -10.556
  419   2HB   ALA  54           HB1      ALA  54 -12.983 -10.639 -10.639
  420   3HB   ALA  54           HB2      ALA  54 -11.536 -11.167 -11.167
  421    H    ASN  55           HN       ASN  55 -13.331  -8.086  -8.086
  422    HA   ASN  55           HA       ASN  55 -14.934  -6.597  -6.597
  423   1HB   ASN  55           HB2      ASN  55 -15.741  -8.531  -8.531
  424   2HB   ASN  55           HB3      ASN  55 -16.777  -7.152  -7.152
  425   1HD2  ASN  55           HD2      ASN  55 -17.598  -8.110  -8.110
  426   2HD2  ASN  55           HD2      ASN  55 -17.156  -6.738  -6.738

  Start of MODEL   12
    1    H    MET   1           HN       MET   1   1.884   0.000   0.000
    2    HA   MET   1           HA       MET   1   2.510   0.995   0.995
    3   1HB   MET   1           HB2      MET   1   3.694  -1.013  -1.013
    4   2HB   MET   1           HB3      MET   1   2.691  -2.067  -2.067
    5   1HG   MET   1           HG2      MET   1   4.692  -1.861  -1.861
    6   2HG   MET   1           HG3      MET   1   3.590  -0.749  -0.749
    7   1HE   MET   1           HE2      MET   1   5.760  -0.894  -0.894
    8   2HE   MET   1           HE3      MET   1   6.996  -1.084  -1.084
    9   3HE   MET   1           HE1      MET   1   6.967   0.387   0.387
   10    H    GLN   2           HN       GLN   2   0.299  -1.874  -1.874
   11    HA   GLN   2           HA       GLN   2  -1.041  -0.716  -0.716
   12   1HB   GLN   2           HB2      GLN   2  -0.591  -2.610  -2.610
   13   2HB   GLN   2           HB3      GLN   2   0.799  -1.583  -1.583
   14   1HG   GLN   2           HG2      GLN   2   1.451  -3.293  -3.293
   15   2HG   GLN   2           HG3      GLN   2   0.258  -4.354  -4.354
   16   1HE2  GLN   2           HE2      GLN   2   0.428  -4.725  -4.725
   17   2HE2  GLN   2           HE2      GLN   2   1.999  -4.885  -4.885
   18    H    LYS   3           HN       LYS   3  -3.162  -1.416  -1.416
   19    HA   LYS   3           HA       LYS   3  -4.937  -2.353  -2.353
   20   1HB   LYS   3           HB2      LYS   3  -5.325  -4.583  -4.583
   21   2HB   LYS   3           HB3      LYS   3  -4.377  -3.775  -3.775
   22   1HG   LYS   3           HG2      LYS   3  -2.811  -5.201  -5.201
   23   2HG   LYS   3           HG3      LYS   3  -3.735  -6.224  -6.224
   24   1HD   LYS   3           HD2      LYS   3  -1.971  -4.010  -4.010
   25   2HD   LYS   3           HD3      LYS   3  -1.282  -5.561  -5.561
   26   1HE   LYS   3           HE2      LYS   3  -3.617  -5.197  -5.197
   27   2HE   LYS   3           HE3      LYS   3  -1.948  -5.408  -5.408
   28   1HZ   LYS   3           HZ1      LYS   3  -2.696  -7.577  -7.577
   29   2HZ   LYS   3           HZ2      LYS   3  -2.153  -7.529  -7.529
   30    H    GLY   4           HN       GLY   4  -2.826  -1.711  -1.711
   31   1HA   GLY   4           HA1      GLY   4  -1.951  -3.512  -3.512
   32   2HA   GLY   4           HA2      GLY   4  -2.641  -1.975  -1.975
   33    H    ASN   5           HN       ASN   5  -2.725  -4.980  -4.980
   34    HA   ASN   5           HA       ASN   5  -5.623  -4.994  -4.994
   35   1HB   ASN   5           HB2      ASN   5  -3.663  -7.348  -7.348
   36   2HB   ASN   5           HB3      ASN   5  -5.358  -7.506  -7.506
   37   1HD2  ASN   5           HD2      ASN   5  -6.917  -6.552  -6.552
   38   2HD2  ASN   5           HD2      ASN   5  -6.615  -6.813  -6.813
   39    H    PHE   6           HN       PHE   6  -6.194  -4.583  -4.583
   40    HA   PHE   6           HA       PHE   6  -5.901  -4.128  -4.128
   41   1HB   PHE   6           HB2      PHE   6  -5.466  -6.224  -6.224
   42   2HB   PHE   6           HB3      PHE   6  -6.422  -6.606  -6.606
   43    HD1  PHE   6           HD2      PHE   6  -3.138  -6.925  -6.925
   44    HD2  PHE   6           HD1      PHE   6  -5.466  -7.865  -7.865
   45    HE1  PHE   6           HE2      PHE   6  -1.425  -8.621  -8.621
   46    HE2  PHE   6           HE1      PHE   6  -3.752  -9.561  -9.561
   47   1HZ   PHE   6           HZ       PHE   6  -1.753  -9.918  -9.918
   48    H    ARG   7           HN       ARG   7  -4.050  -5.069  -5.069
   49    HA   ARG   7           HA       ARG   7  -2.001  -3.240  -3.240
   50   1HB   ARG   7           HB2      ARG   7  -1.107  -4.061  -4.061
   51   2HB   ARG   7           HB3      ARG   7  -2.842  -3.833  -3.833
   52   1HG   ARG   7           HG2      ARG   7  -1.866  -6.551  -6.551
   53   2HG   ARG   7           HG3      ARG   7  -1.625  -6.106  -6.106
   54   1HD   ARG   7           HD2      ARG   7  -4.231  -5.309  -5.309
   55   2HD   ARG   7           HD3      ARG   7  -4.178  -6.623  -6.623
   56    HE   ARG   7           HE       ARG   7  -3.844  -8.170  -8.170
   57   1HH1  ARG   7           HH2      ARG   7  -3.663  -4.852  -4.852
   58   2HH1  ARG   7           HH2      ARG   7  -3.737  -5.332  -5.332
   59    HH2  ARG   7           HH1      ARG   7  -3.899  -7.660  -7.660
   60    H    ASN   8           HN       ASN   8   0.370  -4.453  -4.453
   61    HA   ASN   8           HA       ASN   8   2.052  -5.739  -5.739
   62   1HB   ASN   8           HB2      ASN   8   0.260  -7.627  -7.627
   63   2HB   ASN   8           HB3      ASN   8   0.289  -7.390  -7.390
   64   1HD2  ASN   8           HD2      ASN   8   3.146  -9.243  -9.243
   65   2HD2  ASN   8           HD2      ASN   8   1.743  -8.413  -8.413
   66    H    GLN   9           HN       GLN   9   3.450  -6.362  -6.362
   67    HA   GLN   9           HA       GLN   9   4.341  -5.814  -5.814
   68   1HB   GLN   9           HB2      GLN   9   1.433  -5.370  -5.370
   69   2HB   GLN   9           HB3      GLN   9   2.666  -4.912  -4.912
   70   1HG   GLN   9           HG2      GLN   9   3.025  -7.616  -7.616
   71   2HG   GLN   9           HG3      GLN   9   1.601  -7.443  -7.443
   72   1HE2  GLN   9           HE2      GLN   9   3.915  -8.509  -8.509
   73   2HE2  GLN   9           HE2      GLN   9   2.790  -9.046  -9.046
   74    H    ARG  10           HN       ARG  10   5.487  -4.111  -4.111
   75    HA   ARG  10           HA       ARG  10   6.324  -2.109  -2.109
   76   1HB   ARG  10           HB2      ARG  10   4.820  -2.005  -2.005
   77   2HB   ARG  10           HB3      ARG  10   4.436  -0.521  -0.521
   78   1HG   ARG  10           HG2      ARG  10   6.866  -0.026  -0.026
   79   2HG   ARG  10           HG3      ARG  10   7.270  -1.527  -1.527
   80   1HD   ARG  10           HD2      ARG  10   7.420   0.091   0.091
   81   2HD   ARG  10           HD3      ARG  10   5.850  -0.642  -0.642
   82    HE   ARG  10           HE       ARG  10   6.370   2.087   2.087
   83   1HH1  ARG  10           HH2      ARG  10   3.964  -0.469  -0.469
   84   2HH1  ARG  10           HH2      ARG  10   2.615   0.612   0.612
   85    HH2  ARG  10           HH1      ARG  10   3.006   2.950   2.950
   86    H    LYS  11           HN       LYS  11   2.859  -1.183  -1.183
   87    HA   LYS  11           HA       LYS  11   2.161  -0.925  -0.925
   88   1HB   LYS  11           HB2      LYS  11   3.567   1.406   1.406
   89   2HB   LYS  11           HB3      LYS  11   2.086   1.767   1.767
   90   1HG   LYS  11           HG2      LYS  11   3.523  -0.157  -0.157
   91   2HG   LYS  11           HG3      LYS  11   4.682   1.059   1.059
   92   1HD   LYS  11           HD2      LYS  11   1.974   1.818   1.818
   93   2HD   LYS  11           HD3      LYS  11   3.359   1.498   1.498
   94   1HE   LYS  11           HE2      LYS  11   4.357   3.248   3.248
   95   2HE   LYS  11           HE3      LYS  11   2.760   3.874   3.874
   96   1HZ   LYS  11           HZ1      LYS  11   3.339   4.244   4.244
   97   2HZ   LYS  11           HZ2      LYS  11   4.544   3.149   3.149
   98    H    THR  12           HN       THR  12   1.723   1.127   1.127
   99    HA   THR  12           HA       THR  12  -0.164   1.750   1.750
  100    HB   THR  12           HB       THR  12   0.358  -0.566  -0.566
  101    HG1  THR  12           HG1      THR  12  -1.674  -0.508  -0.508
  102   1HG2  THR  12           HG2      THR  12  -1.601  -1.290  -1.290
  103   2HG2  THR  12           HG2      THR  12  -1.522  -2.261  -2.261
  104   3HG2  THR  12           HG2      THR  12  -0.086  -2.110  -2.110
  105    H    VAL  13           HN       VAL  13  -2.800   0.292   0.292
  106    HA   VAL  13           HA       VAL  13  -4.711   0.758   0.758
  107    HB   VAL  13           HB       VAL  13  -4.887  -0.007  -0.007
  108   1HG1  VAL  13           HG1      VAL  13  -3.705  -1.488  -1.488
  109   2HG1  VAL  13           HG1      VAL  13  -2.719  -1.854  -1.854
  110   3HG1  VAL  13           HG1      VAL  13  -4.478  -2.128  -2.128
  111   1HG2  VAL  13           HG2      VAL  13  -2.849   1.379   1.379
  112   2HG2  VAL  13           HG2      VAL  13  -3.145  -0.184  -0.184
  113   3HG2  VAL  13           HG2      VAL  13  -1.884  -0.047  -0.047
  114    H    LYS  14           HN       LYS  14  -5.624   2.037   2.037
  115    HA   LYS  14           HA       LYS  14  -4.117   4.499   4.499
  116   1HB   LYS  14           HB2      LYS  14  -6.112   5.872   5.872
  117   2HB   LYS  14           HB3      LYS  14  -5.391   5.036   5.036
  118   1HG   LYS  14           HG2      LYS  14  -7.115   3.176   3.176
  119   2HG   LYS  14           HG3      LYS  14  -7.891   4.194   4.194
  120   1HD   LYS  14           HD2      LYS  14  -7.848   6.022   6.022
  121   2HD   LYS  14           HD3      LYS  14  -7.649   4.636   4.636
  122   1HE   LYS  14           HE2      LYS  14 -10.019   5.021   5.021
  123   2HE   LYS  14           HE3      LYS  14  -9.711   3.603   3.603
  124   1HZ   LYS  14           HZ1      LYS  14 -10.548   4.704   4.704
  125   2HZ   LYS  14           HZ2      LYS  14  -9.435   5.886   5.886
  126    H    CYS  15           HN       CYS  15  -4.346   5.363   5.363
  127    HA   CYS  15           HA       CYS  15  -5.785   3.745   3.745
  128   1HB   CYS  15           HB2      CYS  15  -3.610   4.584   4.584
  129   2HB   CYS  15           HB3      CYS  15  -4.110   6.240   6.240
  130    H    PHE  16           HN       PHE  16  -7.944   4.046   4.046
  131    HA   PHE  16           HA       PHE  16  -9.212   6.459   6.459
  132   1HB   PHE  16           HB2      PHE  16  -9.915   3.822   3.822
  133   2HB   PHE  16           HB3      PHE  16 -10.507   4.310   4.310
  134    HD1  PHE  16           HD1      PHE  16 -10.557   6.110   6.110
  135    HD2  PHE  16           HD2      PHE  16 -12.815   4.350   4.350
  136    HE1  PHE  16           HE1      PHE  16 -12.675   6.949   6.949
  137    HE2  PHE  16           HE2      PHE  16 -14.933   5.189   5.189
  138   1HZ   PHE  16           HZ       PHE  16 -14.837   6.478   6.478
  139    H    ASN  17           HN       ASN  17  -7.294   6.052   6.052
  140    HA   ASN  17           HA       ASN  17  -9.137   7.148   7.148
  141   1HB   ASN  17           HB2      ASN  17  -7.406   5.243   5.243
  142   2HB   ASN  17           HB3      ASN  17  -6.185   6.499   6.499
  143   1HD2  ASN  17           HD2      ASN  17  -7.212   6.008   6.008
  144   2HD2  ASN  17           HD2      ASN  17  -6.517   5.059   5.059
  145    H    CYS  18           HN       CYS  18  -5.880   7.724   7.724
  146    HA   CYS  18           HA       CYS  18  -5.994  10.483  10.483
  147   1HB   CYS  18           HB2      CYS  18  -3.624  10.522  10.522
  148   2HB   CYS  18           HB3      CYS  18  -3.921   9.594   9.594
  149    H    GLY  19           HN       GLY  19  -5.900   8.366   8.366
  150   1HA   GLY  19           HA1      GLY  19  -7.116   8.989   8.989
  151   2HA   GLY  19           HA2      GLY  19  -6.763  10.675  10.675
  152    H    LYS  20           HN       LYS  20  -3.993   8.847   8.847
  153    HA   LYS  20           HA       LYS  20  -2.670   9.823   9.823
  154   1HB   LYS  20           HB2      LYS  20  -1.776   8.406   8.406
  155   2HB   LYS  20           HB3      LYS  20  -0.682   8.669   8.669
  156   1HG   LYS  20           HG2      LYS  20  -1.599  11.179  11.179
  157   2HG   LYS  20           HG3      LYS  20  -2.015  10.709  10.709
  158   1HD   LYS  20           HD2      LYS  20   0.337  10.034  10.034
  159   2HD   LYS  20           HD3      LYS  20   0.771  10.416  10.416
  160   1HE   LYS  20           HE2      LYS  20  -0.020  12.814  12.814
  161   2HE   LYS  20           HE3      LYS  20  -0.195  12.378  12.378
  162   1HZ   LYS  20           HZ1      LYS  20   2.233  11.641  11.641
  163   2HZ   LYS  20           HZ2      LYS  20   2.307  12.447  12.447
  164    H    GLU  21           HN       GLU  21  -1.195   8.331   8.331
  165    HA   GLU  21           HA       GLU  21  -2.681   5.872   5.872
  166   1HB   GLU  21           HB2      GLU  21  -2.145   6.046   6.046
  167   2HB   GLU  21           HB3      GLU  21  -2.453   7.707   7.707
  168   1HG   GLU  21           HG2      GLU  21   0.036   8.021   8.021
  169   2HG   GLU  21           HG3      GLU  21   0.295   6.391   6.391
  170    HE1  GLU  21           HE2      GLU  21  -1.556   7.410   7.410
  171    H    GLY  22           HN       GLY  22  -1.634   3.884   3.884
  172   1HA   GLY  22           HA1      GLY  22   0.646   2.873   2.873
  173   2HA   GLY  22           HA2      GLY  22   1.210   3.987   3.987
  174    H    HIS  23           HN       HIS  23  -0.990   3.920   3.920
  175    HA   HIS  23           HA       HIS  23  -0.896   1.107   1.107
  176   1HB   HIS  23           HB2      HIS  23  -0.674   1.760   1.760
  177   2HB   HIS  23           HB3      HIS  23   0.529   2.656   2.656
  178    HD1  HIS  23           HD1      HIS  23  -0.093   5.255   5.255
  179    HD2  HIS  23           HD2      HIS  23  -2.423   3.310   3.310
  180    HE1  HIS  23           HE1      HIS  23  -1.274   7.092   7.092
  181    H    ILE  24           HN       ILE  24  -2.762   0.640   0.640
  182    HA   ILE  24           HA       ILE  24  -5.176   1.882   1.882
  183    HB   ILE  24           HB       ILE  24  -6.222  -0.300  -0.300
  184   1HG1  ILE  24           HG1      ILE  24  -3.393  -1.319  -1.319
  185   2HG1  ILE  24           HG1      ILE  24  -4.079  -0.928  -0.928
  186   1HG2  ILE  24           HG2      ILE  24  -5.173   0.503   0.503
  187   2HG2  ILE  24           HG2      ILE  24  -4.669  -1.191  -1.191
  188   3HG2  ILE  24           HG2      ILE  24  -6.392  -0.755  -0.755
  189   1HD1  ILE  24           HD1      ILE  24  -6.098  -2.473  -2.473
  190   2HD1  ILE  24           HD1      ILE  24  -4.686  -3.207  -3.207
  191   3HD1  ILE  24           HD1      ILE  24  -4.759  -3.119  -3.119
  192    H    ALA  25           HN       ALA  25  -7.095   1.765   1.765
  193    HA   ALA  25           HA       ALA  25  -6.397   3.363   3.363
  194   1HB   ALA  25           HB2      ALA  25  -8.861   1.825   1.825
  195   2HB   ALA  25           HB3      ALA  25  -8.820   2.711   2.711
  196   3HB   ALA  25           HB1      ALA  25  -8.586   3.583   3.583
  197    H    LYS  26           HN       LYS  26  -7.048  -0.171  -0.171
  198    HA   LYS  26           HA       LYS  26  -6.955  -0.717  -0.717
  199   1HB   LYS  26           HB2      LYS  26  -7.938  -2.195  -2.195
  200   2HB   LYS  26           HB3      LYS  26  -6.333  -2.534  -2.534
  201   1HG   LYS  26           HG2      LYS  26  -6.556  -2.921  -2.921
  202   2HG   LYS  26           HG3      LYS  26  -7.630  -3.962  -3.962
  203   1HD   LYS  26           HD2      LYS  26  -4.862  -3.764  -3.764
  204   2HD   LYS  26           HD3      LYS  26  -4.968  -4.507  -4.507
  205   1HE   LYS  26           HE2      LYS  26  -7.068  -5.753  -5.753
  206   2HE   LYS  26           HE3      LYS  26  -5.962  -5.504  -5.504
  207   1HZ   LYS  26           HZ1      LYS  26  -5.315  -6.895  -6.895
  208   2HZ   LYS  26           HZ2      LYS  26  -5.449  -7.587  -7.587
  209    H    ASN  27           HN       ASN  27  -4.510   0.216   0.216
  210    HA   ASN  27           HA       ASN  27  -2.494  -0.723  -0.723
  211   1HB   ASN  27           HB2      ASN  27  -2.547  -1.474  -1.474
  212   2HB   ASN  27           HB3      ASN  27  -1.846   0.108   0.108
  213   1HD2  ASN  27           HD2      ASN  27   1.179  -0.535  -0.535
  214   2HD2  ASN  27           HD2      ASN  27  -0.036   0.674   0.674
  215    H    CYS  28           HN       CYS  28  -4.121   1.743   1.743
  216    HA   CYS  28           HA       CYS  28  -2.457   3.875   3.875
  217   1HB   CYS  28           HB2      CYS  28  -4.917   4.095   4.095
  218   2HB   CYS  28           HB3      CYS  28  -4.929   3.951   3.951
  219    H    ARG  29           HN       ARG  29  -0.651   4.530   4.530
  220    HA   ARG  29           HA       ARG  29  -0.552   3.817   3.817
  221   1HB   ARG  29           HB2      ARG  29   1.461   4.043   4.043
  222   2HB   ARG  29           HB3      ARG  29   2.003   4.682   4.682
  223   1HG   ARG  29           HG2      ARG  29   0.611   2.036   2.036
  224   2HG   ARG  29           HG3      ARG  29   2.161   2.033   2.033
  225   1HD   ARG  29           HD2      ARG  29   3.014   3.384   3.384
  226   2HD   ARG  29           HD3      ARG  29   1.554   2.805   2.805
  227    HE   ARG  29           HE       ARG  29   3.141   0.713   0.713
  228   1HH1  ARG  29           HH2      ARG  29   2.512   2.430   2.430
  229   2HH1  ARG  29           HH2      ARG  29   3.185   1.179   1.179
  230    HH2  ARG  29           HH1      ARG  29   4.070  -0.792  -0.792
  231    H    ALA  30           HN       ALA  30  -1.320   6.398   6.398
  232    HA   ALA  30           HA       ALA  30  -1.211   8.626   8.626
  233   1HB   ALA  30           HB2      ALA  30  -2.533   7.494   7.494
  234   2HB   ALA  30           HB3      ALA  30  -1.477   8.719   8.719
  235   3HB   ALA  30           HB1      ALA  30  -2.636   9.192   9.192
  236    HA   PRO  31           HA       PRO  31   3.071   9.014   9.014
  237   1HB   PRO  31           HB2      PRO  31   3.934  10.313  10.313
  238   2HB   PRO  31           HB3      PRO  31   3.985   8.571   8.571
  239   1HG   PRO  31           HG2      PRO  31   2.120  10.217  10.217
  240   2HG   PRO  31           HG3      PRO  31   2.463   8.504   8.504
  241   1HD   PRO  31           HD2      PRO  31   0.146   9.703   9.703
  242   2HD   PRO  31           HD3      PRO  31   0.545   7.997   7.997
  243    H    ARG  32           HN       ARG  32   4.044  10.580  10.580
  244    HA   ARG  32           HA       ARG  32   3.607  13.253  13.253
  245   1HB   ARG  32           HB2      ARG  32   2.317  13.806  13.806
  246   2HB   ARG  32           HB3      ARG  32   1.384  13.106  13.106
  247   1HG   ARG  32           HG2      ARG  32   1.846  10.803  10.803
  248   2HG   ARG  32           HG3      ARG  32   2.450  11.685  11.685
  249   1HD   ARG  32           HD2      ARG  32  -0.307  12.265  12.265
  250   2HD   ARG  32           HD3      ARG  32  -0.064  10.978  10.978
  251    HE   ARG  32           HE       ARG  32   1.035  13.608  13.608
  252   1HH1  ARG  32           HH2      ARG  32  -1.685  11.350  11.350
  253   2HH1  ARG  32           HH2      ARG  32  -2.329  12.082  12.082
  254    HH2  ARG  32           HH1      ARG  32  -1.212  13.977  13.977
  255    H    LYS  33           HN       LYS  33   5.999  12.505  12.505
  256    HA   LYS  33           HA       LYS  33   7.890  12.865  12.865
  257   1HB   LYS  33           HB2      LYS  33   6.187  14.525  14.525
  258   2HB   LYS  33           HB3      LYS  33   6.744  13.486  13.486
  259   1HG   LYS  33           HG2      LYS  33   8.370  15.206  15.206
  260   2HG   LYS  33           HG3      LYS  33   9.144  13.901  13.901
  261   1HD   LYS  33           HD2      LYS  33   9.450  15.381  15.381
  262   2HD   LYS  33           HD3      LYS  33   7.733  15.236  15.236
  263   1HE   LYS  33           HE2      LYS  33   7.775  17.054  17.054
  264   2HE   LYS  33           HE3      LYS  33   9.238  17.474  17.474
  265   1HZ   LYS  33           HZ1      LYS  33   7.442  18.688  18.688
  266   2HZ   LYS  33           HZ2      LYS  33   7.819  17.535  17.535
  267    H    LYS  34           HN       LYS  34   9.142  11.933  11.933
  268    HA   LYS  34           HA       LYS  34   9.697  10.192  10.192
  269   1HB   LYS  34           HB2      LYS  34   6.881  10.284  10.284
  270   2HB   LYS  34           HB3      LYS  34   7.294   8.600   8.600
  271   1HG   LYS  34           HG2      LYS  34   8.535   8.458   8.458
  272   2HG   LYS  34           HG3      LYS  34   9.100  10.113  10.113
  273   1HD   LYS  34           HD2      LYS  34   6.160   9.659   9.659
  274   2HD   LYS  34           HD3      LYS  34   7.269   9.356   9.356
  275   1HE   LYS  34           HE2      LYS  34   6.917  11.615  11.615
  276   2HE   LYS  34           HE3      LYS  34   8.257  11.751  11.751
  277   1HZ   LYS  34           HZ1      LYS  34   5.745  11.544  11.544
  278   2HZ   LYS  34           HZ2      LYS  34   5.772  12.831  12.831
  279    H    GLY  35           HN       GLY  35  10.662  10.088  10.088
  280   1HA   GLY  35           HA1      GLY  35   9.819   7.578   7.578
  281   2HA   GLY  35           HA2      GLY  35  10.812   8.839   8.839
  282    H    CYS  36           HN       CYS  36  11.045   5.742   5.742
  283    HA   CYS  36           HA       CYS  36  13.189   5.640   5.640
  284   1HB   CYS  36           HB2      CYS  36  11.660   3.758   3.758
  285   2HB   CYS  36           HB3      CYS  36  12.440   3.632   3.632
  286    H    TRP  37           HN       TRP  37  15.218   6.468   6.468
  287    HA   TRP  37           HA       TRP  37  16.067   6.889   6.889
  288   1HB   TRP  37           HB2      TRP  37  16.278   8.410   8.410
  289   2HB   TRP  37           HB3      TRP  37  17.860   7.659   7.659
  290    HD1  TRP  37           HD1      TRP  37  19.425   9.476   9.476
  291    HE1  TRP  37           HE1      TRP  37  19.467  11.068  11.068
  292    HE3  TRP  37           HE3      TRP  37  14.738   8.338   8.338
  293    HZ2  TRP  37           HZ2      TRP  37  17.579  11.660  11.660
  294    HZ3  TRP  37           HZ3      TRP  37  13.914   9.468   9.468
  295    HH2  TRP  37           HH2      TRP  37  15.251  11.078  11.078
  296    H    LYS  38           HN       LYS  38  15.829   4.211   4.211
  297    HA   LYS  38           HA       LYS  38  18.627   3.388   3.388
  298   1HB   LYS  38           HB2      LYS  38  17.364   3.165   3.165
  299   2HB   LYS  38           HB3      LYS  38  16.470   1.867   1.867
  300   1HG   LYS  38           HG2      LYS  38  18.193   0.435   0.435
  301   2HG   LYS  38           HG3      LYS  38  19.266   1.467   1.467
  302   1HD   LYS  38           HD2      LYS  38  18.607   2.269   2.269
  303   2HD   LYS  38           HD3      LYS  38  19.726   0.943   0.943
  304   1HE   LYS  38           HE2      LYS  38  21.247   2.693   2.693
  305   2HE   LYS  38           HE3      LYS  38  20.838   2.659   2.659
  306   1HZ   LYS  38           HZ1      LYS  38  19.421   4.388   4.388
  307   2HZ   LYS  38           HZ2      LYS  38  20.674   4.906   4.906
  308    H    CYS  39           HN       CYS  39  15.210   2.564   2.564
  309    HA   CYS  39           HA       CYS  39  16.278   0.703   0.703
  310   1HB   CYS  39           HB2      CYS  39  13.985  -0.239  -0.239
  311   2HB   CYS  39           HB3      CYS  39  14.813  -0.428  -0.428
  312    H    GLY  40           HN       GLY  40  14.609   3.733   3.733
  313   1HA   GLY  40           HA1      GLY  40  14.299   5.421   5.421
  314   2HA   GLY  40           HA2      GLY  40  14.542   4.298   4.298
  315    H    LYS  41           HN       LYS  41  12.390   3.215   3.215
  316    HA   LYS  41           HA       LYS  41  10.175   3.427   3.427
  317   1HB   LYS  41           HB2      LYS  41  10.993   1.386   1.386
  318   2HB   LYS  41           HB3      LYS  41   9.851   2.136   2.136
  319   1HG   LYS  41           HG2      LYS  41   8.111   2.092   2.092
  320   2HG   LYS  41           HG3      LYS  41   9.256   1.276   1.276
  321   1HD   LYS  41           HD2      LYS  41   8.879   0.026   0.026
  322   2HD   LYS  41           HD3      LYS  41   7.475  -0.024  -0.024
  323   1HE   LYS  41           HE2      LYS  41   9.464  -0.759  -0.759
  324   2HE   LYS  41           HE3      LYS  41  10.097  -1.420  -1.420
  325   1HZ   LYS  41           HZ1      LYS  41   7.452  -2.009  -2.009
  326   2HZ   LYS  41           HZ2      LYS  41   8.670  -3.059  -3.059
  327    H    GLU  42           HN       GLU  42   8.976   5.247   5.247
  328    HA   GLU  42           HA       GLU  42   9.070   6.991   6.991
  329   1HB   GLU  42           HB2      GLU  42   7.426   8.336   8.336
  330   2HB   GLU  42           HB3      GLU  42   8.897   7.935   7.935
  331   1HG   GLU  42           HG2      GLU  42   6.940   5.805   5.805
  332   2HG   GLU  42           HG3      GLU  42   6.214   7.346   7.346
  333    HE1  GLU  42           HE2      GLU  42   7.981   8.111   8.111
  334    H    GLY  43           HN       GLY  43   8.127   6.197   6.197
  335   1HA   GLY  43           HA1      GLY  43   5.427   6.334   6.334
  336   2HA   GLY  43           HA2      GLY  43   5.702   4.671   4.671
  337    H    HIS  44           HN       HIS  44   7.900   3.736   3.736
  338    HA   HIS  44           HA       HIS  44   7.437   4.175   4.175
  339   1HB   HIS  44           HB2      HIS  44   8.311   2.018   2.018
  340   2HB   HIS  44           HB3      HIS  44   7.259   1.883   1.883
  341    HD1  HIS  44           HD1      HIS  44   8.246   0.385   0.385
  342    HD2  HIS  44           HD2      HIS  44  11.185   2.600   2.600
  343    HE1  HIS  44           HE1      HIS  44  10.482  -0.303  -0.303
  344    H    GLN  45           HN       GLN  45   9.398   4.153   4.153
  345    HA   GLN  45           HA       GLN  45  11.490   5.692   5.692
  346   1HB   GLN  45           HB2      GLN  45  11.999   6.366   6.366
  347   2HB   GLN  45           HB3      GLN  45  10.590   7.059   7.059
  348   1HG   GLN  45           HG2      GLN  45   9.112   5.423   5.423
  349   2HG   GLN  45           HG3      GLN  45  10.483   4.543   4.543
  350   1HE2  GLN  45           HE2      GLN  45  11.282   6.846   6.846
  351   2HE2  GLN  45           HE2      GLN  45  11.917   5.659   5.659
  352    H    MET  46           HN       MET  46  13.652   5.490   5.490
  353    HA   MET  46           HA       MET  46  14.626   2.974   2.974
  354   1HB   MET  46           HB2      MET  46  15.783   5.309   5.309
  355   2HB   MET  46           HB3      MET  46  15.745   4.733   4.733
  356   1HG   MET  46           HG2      MET  46  16.880   2.977   2.977
  357   2HG   MET  46           HG3      MET  46  17.867   4.228   4.228
  358   1HE   MET  46           HE3      MET  46  16.619   0.825   0.825
  359   2HE   MET  46           HE1      MET  46  18.393   0.884   0.884
  360   3HE   MET  46           HE2      MET  46  17.426   0.127   0.127
  361    H    LYS  47           HN       LYS  47  13.217   4.353   4.353
  362    HA   LYS  47           HA       LYS  47  13.927   2.179   2.179
  363   1HB   LYS  47           HB2      LYS  47  13.300   4.533   4.533
  364   2HB   LYS  47           HB3      LYS  47  11.629   4.112   4.112
  365   1HG   LYS  47           HG2      LYS  47  12.142   2.015   2.015
  366   2HG   LYS  47           HG3      LYS  47  13.499   2.976   2.976
  367   1HD   LYS  47           HD2      LYS  47  10.797   4.310   4.310
  368   2HD   LYS  47           HD3      LYS  47  11.069   3.136   3.136
  369   1HE   LYS  47           HE2      LYS  47  13.242   4.418   4.418
  370   2HE   LYS  47           HE3      LYS  47  12.681   5.668   5.668
  371   1HZ   LYS  47           HZ1      LYS  47  12.051   5.888   5.888
  372   2HZ   LYS  47           HZ2      LYS  47  10.845   6.119   6.119
  373    H    ASP  48           HN       ASP  48  11.596   2.590   2.590
  374    HA   ASP  48           HA       ASP  48  10.202   0.225   0.225
  375   1HB   ASP  48           HB2      ASP  48   9.327   2.651   2.651
  376   2HB   ASP  48           HB3      ASP  48   8.550   1.131   1.131
  377    HD1  ASP  48           HD2      ASP  48   7.416   0.102   0.102
  378    H    CYS  49           HN       CYS  49  12.808   0.589   0.589
  379    HA   CYS  49           HA       CYS  49  12.053  -0.316  -0.316
  380   1HB   CYS  49           HB2      CYS  49  13.899   1.313   1.313
  381   2HB   CYS  49           HB3      CYS  49  14.807   0.120   0.120
  382    H    THR  50           HN       THR  50  11.470  -2.459  -2.459
  383    HA   THR  50           HA       THR  50  12.429  -4.381  -4.381
  384    HB   THR  50           HB       THR  50  10.741  -4.695  -4.695
  385    HG1  THR  50           HG1      THR  50   9.073  -4.595  -4.595
  386   1HG2  THR  50           HG2      THR  50  11.774  -6.711  -6.711
  387   2HG2  THR  50           HG2      THR  50  10.277  -6.323  -6.323
  388   3HG2  THR  50           HG2      THR  50  10.201  -6.815  -6.815
  389    H    GLU  51           HN       GLU  51  13.976  -2.892  -2.892
  390    HA   GLU  51           HA       GLU  51  15.583  -5.276  -5.276
  391   1HB   GLU  51           HB2      GLU  51  15.834  -4.793  -4.793
  392   2HB   GLU  51           HB3      GLU  51  14.137  -4.995  -4.995
  393   1HG   GLU  51           HG2      GLU  51  14.080  -3.042  -3.042
  394   2HG   GLU  51           HG3      GLU  51  14.142  -2.375  -2.375
  395    HE1  GLU  51           HE2      GLU  51  16.444  -3.639  -3.639
  396    H    ARG  52           HN       ARG  52  17.568  -4.137  -4.137
  397    HA   ARG  52           HA       ARG  52  18.335  -1.678  -1.678
  398   1HB   ARG  52           HB2      ARG  52  19.188  -3.696  -3.696
  399   2HB   ARG  52           HB3      ARG  52  20.274  -4.030  -4.030
  400   1HG   ARG  52           HG2      ARG  52  21.697  -2.582  -2.582
  401   2HG   ARG  52           HG3      ARG  52  20.700  -1.324  -1.324
  402   1HD   ARG  52           HD2      ARG  52  20.859  -0.827  -0.827
  403   2HD   ARG  52           HD3      ARG  52  19.233  -1.425  -1.425
  404    HE   ARG  52           HE       ARG  52  21.223  -3.475  -3.475
  405   1HH1  ARG  52           HH2      ARG  52  18.679  -1.272  -1.272
  406   2HH1  ARG  52           HH2      ARG  52  18.404  -2.133  -2.133
  407    HH2  ARG  52           HH1      ARG  52  19.698  -4.094  -4.094
  408    H    GLN  53           HN       GLN  53  18.332  -0.694  -0.694
  409    HA   GLN  53           HA       GLN  53  18.821  -0.401  -0.401
  410   1HB   GLN  53           HB2      GLN  53  21.531  -0.556  -0.556
  411   2HB   GLN  53           HB3      GLN  53  20.701   0.777   0.777
  412   1HG   GLN  53           HG2      GLN  53  20.924  -0.374  -0.374
  413   2HG   GLN  53           HG3      GLN  53  21.757  -1.706  -1.706
  414   1HE2  GLN  53           HE2      GLN  53  23.573   2.001   2.001
  415   2HE2  GLN  53           HE2      GLN  53  21.850   1.822   1.822
  416    H    ALA  54           HN       ALA  54  21.714  -2.450  -2.450
  417    HA   ALA  54           HA       ALA  54  21.030  -3.888  -3.888
  418   1HB   ALA  54           HB2      ALA  54  23.269  -3.500  -3.500
  419   2HB   ALA  54           HB3      ALA  54  22.883  -5.210  -5.210
  420   3HB   ALA  54           HB1      ALA  54  23.154  -4.646  -4.646
  421    H    ASN  55           HN       ASN  55  19.792  -5.681  -5.681
  422    HA   ASN  55           HA       ASN  55  18.495  -6.768  -6.768
  423   1HB   ASN  55           HB2      ASN  55  16.943  -7.797  -7.797
  424   2HB   ASN  55           HB3      ASN  55  17.177  -6.120  -6.120
  425   1HD2  ASN  55           HD2      ASN  55  17.420  -8.403  -8.403
  426   2HD2  ASN  55           HD2      ASN  55  16.278  -8.181  -8.181

  Start of MODEL   13
    1    H    MET   1           HN       MET   1   1.884   0.000   0.000
    2    HA   MET   1           HA       MET   1   2.651  -0.925  -0.925
    3   1HB   MET   1           HB2      MET   1   0.416  -0.804  -0.804
    4   2HB   MET   1           HB3      MET   1   0.494   0.947   0.947
    5   1HG   MET   1           HG2      MET   1   1.164   0.208   0.208
    6   2HG   MET   1           HG3      MET   1   2.609   0.794   0.794
    7   1HE   MET   1           HE3      MET   1   2.193  -0.786  -0.786
    8   2HE   MET   1           HE1      MET   1   3.478  -2.018  -2.018
    9   3HE   MET   1           HE2      MET   1   1.773  -2.507  -2.507
   10    H    GLN   2           HN       GLN   2   1.455   2.505   2.505
   11    HA   GLN   2           HA       GLN   2   3.816   3.538   3.538
   12   1HB   GLN   2           HB2      GLN   2   1.436   4.593   4.593
   13   2HB   GLN   2           HB3      GLN   2   1.907   5.088   5.088
   14   1HG   GLN   2           HG2      GLN   2   2.364   6.874   6.874
   15   2HG   GLN   2           HG3      GLN   2   3.835   6.338   6.338
   16   1HE2  GLN   2           HE2      GLN   2   5.111   6.330   6.330
   17   2HE2  GLN   2           HE2      GLN   2   4.947   7.217   7.217
   18    H    LYS   3           HN       LYS   3   2.493   3.633   3.633
   19    HA   LYS   3           HA       LYS   3   5.111   3.168   3.168
   20   1HB   LYS   3           HB2      LYS   3   5.241   5.583   5.583
   21   2HB   LYS   3           HB3      LYS   3   3.834   5.880   5.880
   22   1HG   LYS   3           HG2      LYS   3   4.984   5.501   5.501
   23   2HG   LYS   3           HG3      LYS   3   6.085   4.345   4.345
   24   1HD   LYS   3           HD2      LYS   3   6.310   7.130   7.130
   25   2HD   LYS   3           HD3      LYS   3   6.759   6.940   6.940
   26   1HE   LYS   3           HE2      LYS   3   7.831   4.942   4.942
   27   2HE   LYS   3           HE3      LYS   3   8.539   6.545   6.545
   28   1HZ   LYS   3           HZ1      LYS   3   9.431   4.680   4.680
   29   2HZ   LYS   3           HZ2      LYS   3   9.354   6.215   6.215
   30    H    GLY   4           HN       GLY   4   4.684   1.680   1.680
   31   1HA   GLY   4           HA1      GLY   4   2.056   1.714   1.714
   32   2HA   GLY   4           HA2      GLY   4   3.219   0.403   0.403
   33    H    ASN   5           HN       ASN   5   1.924   2.989   2.989
   34    HA   ASN   5           HA       ASN   5   2.341   3.776   3.776
   35   1HB   ASN   5           HB2      ASN   5   3.967   1.247   1.247
   36   2HB   ASN   5           HB3      ASN   5   4.348   2.415   2.415
   37   1HD2  ASN   5           HD2      ASN   5   1.060   0.072   0.072
   38   2HD2  ASN   5           HD2      ASN   5   2.306  -0.059  -0.059
   39    H    PHE   6           HN       PHE   6   3.453   5.710   5.710
   40    HA   PHE   6           HA       PHE   6   6.284   5.818   5.818
   41   1HB   PHE   6           HB2      PHE   6   6.220   7.572   7.572
   42   2HB   PHE   6           HB3      PHE   6   5.872   5.937   5.937
   43    HD1  PHE   6           HD1      PHE   6   3.439   5.265   5.265
   44    HD2  PHE   6           HD2      PHE   6   4.659   9.299   9.299
   45    HE1  PHE   6           HE1      PHE   6   1.266   6.043   6.043
   46    HE2  PHE   6           HE2      PHE   6   2.487  10.077  10.077
   47   1HZ   PHE   6           HZ       PHE   6   0.816   8.440   8.440
   48    H    ARG   7           HN       ARG   7   7.112   7.939   7.939
   49    HA   ARG   7           HA       ARG   7   4.988   9.605   9.605
   50   1HB   ARG   7           HB2      ARG   7   7.375   8.384   8.384
   51   2HB   ARG   7           HB3      ARG   7   6.958  10.021  10.021
   52   1HG   ARG   7           HG2      ARG   7   5.571   8.913   8.913
   53   2HG   ARG   7           HG3      ARG   7   4.475   8.956   8.956
   54   1HD   ARG   7           HD2      ARG   7   5.218   6.682   6.682
   55   2HD   ARG   7           HD3      ARG   7   6.371   6.638   6.638
   56    HE   ARG   7           HE       ARG   7   4.626   6.154   6.154
   57   1HH1  ARG   7           HH2      ARG   7   3.246   7.422   7.422
   58   2HH1  ARG   7           HH2      ARG   7   1.612   7.082   7.082
   59    HH2  ARG   7           HH1      ARG   7   1.178   6.072   6.072
   60    H    ASN   8           HN       ASN   8   5.206  11.192  11.192
   61    HA   ASN   8           HA       ASN   8   7.525  12.039  12.039
   62   1HB   ASN   8           HB2      ASN   8   4.833  13.329  13.329
   63   2HB   ASN   8           HB3      ASN   8   6.120  14.346  14.346
   64   1HD2  ASN   8           HD2      ASN   8   6.391  12.811  12.811
   65   2HD2  ASN   8           HD2      ASN   8   7.231  13.689  13.689
   66    H    GLN   9           HN       GLN   9   9.326  12.656  12.656
   67    HA   GLN   9           HA       GLN   9   8.876  14.851  14.851
   68   1HB   GLN   9           HB2      GLN   9  10.264  12.227  12.227
   69   2HB   GLN   9           HB3      GLN   9  10.646  13.691  13.691
   70   1HG   GLN   9           HG2      GLN   9   8.320  13.944  13.944
   71   2HG   GLN   9           HG3      GLN   9   7.799  12.638  12.638
   72   1HE2  GLN   9           HE2      GLN   9  10.005  11.837  11.837
   73   2HE2  GLN   9           HE2      GLN   9  10.157  13.336  13.336
   74    H    ARG  10           HN       ARG  10   9.814  16.289  16.289
   75    HA   ARG  10           HA       ARG  10  12.639  15.754  15.754
   76   1HB   ARG  10           HB2      ARG  10  10.705  15.957  15.957
   77   2HB   ARG  10           HB3      ARG  10  11.261  17.617  17.617
   78   1HG   ARG  10           HG2      ARG  10  12.695  16.601  16.601
   79   2HG   ARG  10           HG3      ARG  10  13.666  16.680  16.680
   80   1HD   ARG  10           HD2      ARG  10  12.683  14.255  14.255
   81   2HD   ARG  10           HD3      ARG  10  12.330  14.261  14.261
   82    HE   ARG  10           HE       ARG  10  14.934  15.047  15.047
   83   1HH1  ARG  10           HH2      ARG  10  13.347  12.417  12.417
   84   2HH1  ARG  10           HH2      ARG  10  14.761  11.418  11.418
   85    HH2  ARG  10           HH1      ARG  10  16.780  12.210  12.210
   86    H    LYS  11           HN       LYS  11  14.061  17.662  17.662
   87    HA   LYS  11           HA       LYS  11  12.819  19.904  19.904
   88   1HB   LYS  11           HB2      LYS  11  14.613  18.364  18.364
   89   2HB   LYS  11           HB3      LYS  11  15.754  19.240  19.240
   90   1HG   LYS  11           HG2      LYS  11  15.745  20.920  20.920
   91   2HG   LYS  11           HG3      LYS  11  14.067  21.235  21.235
   92   1HD   LYS  11           HD2      LYS  11  14.829  19.040  19.040
   93   2HD   LYS  11           HD3      LYS  11  14.668  20.704  20.704
   94   1HE   LYS  11           HE2      LYS  11  12.426  20.411  20.411
   95   2HE   LYS  11           HE3      LYS  11  12.353  20.177  20.177
   96   1HZ   LYS  11           HZ1      LYS  11  12.939  17.997  17.997
   97   2HZ   LYS  11           HZ2      LYS  11  11.477  18.257  18.257
   98    H    THR  12           HN       THR  12  15.622  21.218  21.218
   99    HA   THR  12           HA       THR  12  16.276  22.878  22.878
  100    HB   THR  12           HB       THR  12  17.036  22.050  22.050
  101    HG1  THR  12           HG1      THR  12  15.193  21.083  21.083
  102   1HG2  THR  12           HG2      THR  12  17.355  20.464  20.464
  103   2HG2  THR  12           HG2      THR  12  17.033  19.335  19.335
  104   3HG2  THR  12           HG2      THR  12  18.398  20.472  20.472
  105    H    VAL  13           HN       VAL  13  14.181  23.978  23.978
  106    HA   VAL  13           HA       VAL  13  12.345  25.106  25.106
  107    HB   VAL  13           HB       VAL  13  12.483  26.442  26.442
  108   1HG1  VAL  13           HG1      VAL  13  14.128  26.909  26.909
  109   2HG1  VAL  13           HG1      VAL  13  15.299  25.840  25.840
  110   3HG1  VAL  13           HG1      VAL  13  14.754  27.332  27.332
  111   1HG2  VAL  13           HG2      VAL  13  13.013  24.399  24.399
  112   2HG2  VAL  13           HG2      VAL  13  13.722  25.971  25.971
  113   3HG2  VAL  13           HG2      VAL  13  14.717  24.743  24.743
  114    H    LYS  14           HN       LYS  14  10.571  25.365  25.365
  115    HA   LYS  14           HA       LYS  14  10.054  22.739  22.739
  116   1HB   LYS  14           HB2      LYS  14   7.735  22.731  22.731
  117   2HB   LYS  14           HB3      LYS  14   8.989  22.479  22.479
  118   1HG   LYS  14           HG2      LYS  14   8.262  25.336  25.336
  119   2HG   LYS  14           HG3      LYS  14   6.964  24.351  24.351
  120   1HD   LYS  14           HD2      LYS  14   9.165  23.517  23.517
  121   2HD   LYS  14           HD3      LYS  14   9.475  25.229  25.229
  122   1HE   LYS  14           HE2      LYS  14   7.153  25.736  25.736
  123   2HE   LYS  14           HE3      LYS  14   6.879  24.024  24.024
  124   1HZ   LYS  14           HZ1      LYS  14   9.077  25.525  25.525
  125   2HZ   LYS  14           HZ2      LYS  14   7.645  25.217  25.217
  126    H    CYS  15           HN       CYS  15   8.832  22.828  22.828
  127    HA   CYS  15           HA       CYS  15   8.757  25.421  25.421
  128   1HB   CYS  15           HB2      CYS  15   9.450  23.412  23.412
  129   2HB   CYS  15           HB3      CYS  15   7.839  22.743  22.743
  130    H    PHE  16           HN       PHE  16   7.058  26.819  26.819
  131    HA   PHE  16           HA       PHE  16   4.581  25.780  25.780
  132   1HB   PHE  16           HB2      PHE  16   6.081  28.339  28.339
  133   2HB   PHE  16           HB3      PHE  16   4.366  28.543  28.543
  134    HD1  PHE  16           HD2      PHE  16   6.724  27.104  27.104
  135    HD2  PHE  16           HD1      PHE  16   2.928  28.865  28.865
  136    HE1  PHE  16           HE2      PHE  16   6.312  27.208  27.208
  137    HE2  PHE  16           HE1      PHE  16   2.516  28.969  28.969
  138   1HZ   PHE  16           HZ       PHE  16   4.213  28.139  28.139
  139    H    ASN  17           HN       ASN  17   5.849  25.843  25.843
  140    HA   ASN  17           HA       ASN  17   3.518  26.926  26.926
  141   1HB   ASN  17           HB2      ASN  17   5.865  27.281  27.281
  142   2HB   ASN  17           HB3      ASN  17   5.985  25.558  25.558
  143   1HD2  ASN  17           HD2      ASN  17   4.032  25.462  25.462
  144   2HD2  ASN  17           HD2      ASN  17   4.825  24.587  24.587
  145    H    CYS  18           HN       CYS  18   5.438  23.824  23.824
  146    HA   CYS  18           HA       CYS  18   3.162  22.418  22.418
  147   1HB   CYS  18           HB2      CYS  18   4.755  20.471  20.471
  148   2HB   CYS  18           HB3      CYS  18   5.163  21.813  21.813
  149    H    GLY  19           HN       GLY  19   4.973  22.984  22.984
  150   1HA   GLY  19           HA1      GLY  19   4.037  22.675  22.675
  151   2HA   GLY  19           HA2      GLY  19   2.948  21.460  21.460
  152    H    LYS  20           HN       LYS  20   5.927  20.839  20.839
  153    HA   LYS  20           HA       LYS  20   6.361  18.609  18.609
  154   1HB   LYS  20           HB2      LYS  20   6.652  19.025  19.025
  155   2HB   LYS  20           HB3      LYS  20   8.311  19.094  19.094
  156   1HG   LYS  20           HG2      LYS  20   7.146  16.923  16.923
  157   2HG   LYS  20           HG3      LYS  20   6.534  16.779  16.779
  158   1HD   LYS  20           HD2      LYS  20   9.195  17.367  17.367
  159   2HD   LYS  20           HD3      LYS  20   9.318  16.465  16.465
  160   1HE   LYS  20           HE2      LYS  20   7.517  14.904  14.904
  161   2HE   LYS  20           HE3      LYS  20   8.507  15.530  15.530
  162   1HZ   LYS  20           HZ1      LYS  20  10.472  14.808  14.808
  163   2HZ   LYS  20           HZ2      LYS  20   9.402  13.933  13.933
  164    H    GLU  21           HN       GLU  21   7.637  18.648  18.648
  165    HA   GLU  21           HA       GLU  21   9.140  20.967  20.967
  166   1HB   GLU  21           HB2      GLU  21   9.844  19.650  19.650
  167   2HB   GLU  21           HB3      GLU  21   8.111  19.806  19.806
  168   1HG   GLU  21           HG2      GLU  21   9.362  17.414  17.414
  169   2HG   GLU  21           HG3      GLU  21   9.375  17.419  17.419
  170    HE2  GLU  21           HE2      GLU  21   7.616  15.545  15.545
  171    H    GLY  22           HN       GLY  22  11.403  21.284  21.284
  172   1HA   GLY  22           HA1      GLY  22  13.552  19.942  19.942
  173   2HA   GLY  22           HA2      GLY  22  12.919  19.235  19.235
  174    H    HIS  23           HN       HIS  23  11.656  21.507  21.507
  175    HA   HIS  23           HA       HIS  23  13.982  23.242  23.242
  176   1HB   HIS  23           HB2      HIS  23  13.438  23.387  23.387
  177   2HB   HIS  23           HB3      HIS  23  13.578  21.697  21.697
  178    HD1  HIS  23           HD1      HIS  23  11.175  20.424  20.424
  179    HD2  HIS  23           HD2      HIS  23  11.077  24.052  24.052
  180    HE1  HIS  23           HE1      HIS  23   8.929  20.489  20.489
  181    H    ILE  24           HN       ILE  24  12.914  25.278  25.278
  182    HA   ILE  24           HA       ILE  24  10.691  26.214  26.214
  183    HB   ILE  24           HB       ILE  24  11.874  28.511  28.511
  184   1HG1  ILE  24           HG1      ILE  24  14.165  26.534  26.534
  185   2HG1  ILE  24           HG1      ILE  24  13.700  27.431  27.431
  186   1HG2  ILE  24           HG2      ILE  24  11.879  26.749  26.749
  187   2HG2  ILE  24           HG2      ILE  24  13.265  27.865  27.865
  188   3HG2  ILE  24           HG2      ILE  24  11.606  28.504  28.504
  189   1HD1  ILE  24           HD1      ILE  24  13.983  29.563  29.563
  190   2HD1  ILE  24           HD1      ILE  24  14.914  28.475  28.475
  191   3HD1  ILE  24           HD1      ILE  24  15.439  28.750  28.750
  192    H    ALA  25           HN       ALA  25   9.466  28.085  28.085
  193    HA   ALA  25           HA       ALA  25   8.462  27.101  27.101
  194   1HB   ALA  25           HB3      ALA  25   7.603  28.821  28.821
  195   2HB   ALA  25           HB1      ALA  25   8.115  29.989  29.989
  196   3HB   ALA  25           HB2      ALA  25   6.898  28.750  28.750
  197    H    LYS  26           HN       LYS  26  11.008  29.483  29.483
  198    HA   LYS  26           HA       LYS  26  11.214  30.608  30.608
  199   1HB   LYS  26           HB2      LYS  26  12.141  31.439  31.439
  200   2HB   LYS  26           HB3      LYS  26  13.473  30.330  30.330
  201   1HG   LYS  26           HG2      LYS  26  14.450  31.968  31.968
  202   2HG   LYS  26           HG3      LYS  26  13.260  31.623  31.623
  203   1HD   LYS  26           HD2      LYS  26  11.792  33.370  33.370
  204   2HD   LYS  26           HD3      LYS  26  12.633  33.525  33.525
  205   1HE   LYS  26           HE2      LYS  26  13.318  35.394  35.394
  206   2HE   LYS  26           HE3      LYS  26  14.689  34.308  34.308
  207   1HZ   LYS  26           HZ1      LYS  26  12.986  34.842  34.842
  208   2HZ   LYS  26           HZ2      LYS  26  14.595  34.595  34.595
  209    H    ASN  27           HN       ASN  27  12.193  27.514  27.514
  210    HA   ASN  27           HA       ASN  27  13.838  27.069  27.069
  211   1HB   ASN  27           HB2      ASN  27  14.191  26.399  26.399
  212   2HB   ASN  27           HB3      ASN  27  13.815  24.878  24.878
  213   1HD2  ASN  27           HD2      ASN  27  17.525  25.848  25.848
  214   2HD2  ASN  27           HD2      ASN  27  16.303  25.975  25.975
  215    H    CYS  28           HN       CYS  28  10.839  27.121  27.121
  216    HA   CYS  28           HA       CYS  28  10.175  24.298  24.298
  217   1HB   CYS  28           HB2      CYS  28   8.737  25.937  25.937
  218   2HB   CYS  28           HB3      CYS  28   8.267  26.642  26.642
  219    H    ARG  29           HN       ARG  29  10.203  23.357  23.357
  220    HA   ARG  29           HA       ARG  29  10.067  25.195  25.195
  221   1HB   ARG  29           HB2      ARG  29  11.458  23.608  23.608
  222   2HB   ARG  29           HB3      ARG  29  12.255  23.977  23.977
  223   1HG   ARG  29           HG2      ARG  29  11.066  21.862  21.862
  224   2HG   ARG  29           HG3      ARG  29  10.698  21.462  21.462
  225   1HD   ARG  29           HD2      ARG  29  13.550  22.199  22.199
  226   2HD   ARG  29           HD3      ARG  29  13.003  20.692  20.692
  227    HE   ARG  29           HE       ARG  29  12.715  19.770  19.770
  228   1HH1  ARG  29           HH2      ARG  29  13.514  23.215  23.215
  229   2HH1  ARG  29           HH2      ARG  29  13.839  23.160  23.160
  230    HH2  ARG  29           HH1      ARG  29  13.615  21.081  21.081
  231    H    ALA  30           HN       ALA  30   8.319  22.946  22.946
  232    HA   ALA  30           HA       ALA  30   6.712  21.450  21.450
  233   1HB   ALA  30           HB3      ALA  30   5.606  23.639  23.639
  234   2HB   ALA  30           HB1      ALA  30   6.007  23.667  23.667
  235   3HB   ALA  30           HB2      ALA  30   4.879  22.444  22.444
  236    HA   PRO  31           HA       PRO  31   8.576  19.527  19.527
  237   1HB   PRO  31           HB2      PRO  31   9.046  17.087  17.087
  238   2HB   PRO  31           HB3      PRO  31  10.234  18.375  18.375
  239   1HG   PRO  31           HG2      PRO  31   8.587  17.426  17.426
  240   2HG   PRO  31           HG3      PRO  31  10.048  18.392  18.392
  241   1HD   PRO  31           HD2      PRO  31   7.363  19.327  19.327
  242   2HD   PRO  31           HD3      PRO  31   8.813  20.308  20.308
  243    H    ARG  32           HN       ARG  32   6.415  19.928  19.928
  244    HA   ARG  32           HA       ARG  32   4.661  19.150  19.150
  245   1HB   ARG  32           HB2      ARG  32   6.323  17.028  17.028
  246   2HB   ARG  32           HB3      ARG  32   5.116  16.274  16.274
  247   1HG   ARG  32           HG2      ARG  32   3.739  15.994  15.994
  248   2HG   ARG  32           HG3      ARG  32   3.719  17.723  17.723
  249   1HD   ARG  32           HD2      ARG  32   5.196  17.571  17.571
  250   2HD   ARG  32           HD3      ARG  32   6.250  16.471  16.471
  251    HE   ARG  32           HE       ARG  32   4.162  14.821  14.821
  252   1HH1  ARG  32           HH2      ARG  32   5.896  17.114  17.114
  253   2HH1  ARG  32           HH2      ARG  32   5.611  16.210  16.210
  254    HH2  ARG  32           HH1      ARG  32   4.369  14.164  14.164
  255    H    LYS  33           HN       LYS  33   2.455  18.006  18.006
  256    HA   LYS  33           HA       LYS  33   1.641  18.661  18.661
  257   1HB   LYS  33           HB2      LYS  33   0.343  17.464  17.464
  258   2HB   LYS  33           HB3      LYS  33  -0.498  17.406  17.406
  259   1HG   LYS  33           HG2      LYS  33  -1.194  19.526  19.526
  260   2HG   LYS  33           HG3      LYS  33   0.447  20.041  20.041
  261   1HD   LYS  33           HD2      LYS  33   0.943  19.470  19.470
  262   2HD   LYS  33           HD3      LYS  33  -0.797  19.423  19.423
  263   1HE   LYS  33           HE2      LYS  33  -0.424  21.668  21.668
  264   2HE   LYS  33           HE3      LYS  33  -0.694  21.789  21.789
  265   1HZ   LYS  33           HZ1      LYS  33   1.453  22.807  22.807
  266   2HZ   LYS  33           HZ2      LYS  33   1.546  22.124  22.124
  267    H    LYS  34           HN       LYS  34   1.509  15.448  15.448
  268    HA   LYS  34           HA       LYS  34   2.195  13.448  13.448
  269   1HB   LYS  34           HB2      LYS  34   3.577  13.233  13.233
  270   2HB   LYS  34           HB3      LYS  34   3.614  14.984  14.984
  271   1HG   LYS  34           HG2      LYS  34   3.016  14.757  14.757
  272   2HG   LYS  34           HG3      LYS  34   1.405  14.714  14.714
  273   1HD   LYS  34           HD2      LYS  34   2.128  12.056  12.056
  274   2HD   LYS  34           HD3      LYS  34   2.995  12.518  12.518
  275   1HE   LYS  34           HE2      LYS  34   0.474  13.705  13.705
  276   2HE   LYS  34           HE3      LYS  34   0.091  12.181  12.181
  277   1HZ   LYS  34           HZ1      LYS  34   1.316  12.634  12.634
  278   2HZ   LYS  34           HZ2      LYS  34   0.255  11.483  11.483
  279    H    GLY  35           HN       GLY  35  -0.303  15.498  15.498
  280   1HA   GLY  35           HA1      GLY  35  -1.701  13.581  13.581
  281   2HA   GLY  35           HA2      GLY  35  -2.290  15.123  15.123
  282    H    CYS  36           HN       CYS  36  -4.044  12.998  12.998
  283    HA   CYS  36           HA       CYS  36  -3.980  11.429  11.429
  284   1HB   CYS  36           HB2      CYS  36  -5.393  11.061  11.061
  285   2HB   CYS  36           HB3      CYS  36  -6.421  12.384  12.384
  286    H    TRP  37           HN       TRP  37  -3.999  12.155  12.155
  287    HA   TRP  37           HA       TRP  37  -5.119  14.782  14.782
  288   1HB   TRP  37           HB2      TRP  37  -3.661  12.916  12.916
  289   2HB   TRP  37           HB3      TRP  37  -4.022  14.611  14.611
  290    HD1  TRP  37           HD1      TRP  37  -3.030  15.453  15.453
  291    HE1  TRP  37           HE1      TRP  37  -0.452  15.687  15.687
  292    HE3  TRP  37           HE3      TRP  37  -1.452  12.649  12.649
  293    HZ2  TRP  37           HZ2      TRP  37   1.904  14.696  14.696
  294    HZ3  TRP  37           HZ3      TRP  37   1.003  12.331  12.331
  295    HH2  TRP  37           HH2      TRP  37   2.659  13.301  13.301
  296    H    LYS  38           HN       LYS  38  -6.567  12.042  12.042
  297    HA   LYS  38           HA       LYS  38  -8.186  11.943  11.943
  298   1HB   LYS  38           HB2      LYS  38  -7.007   9.856   9.856
  299   2HB   LYS  38           HB3      LYS  38  -8.203   9.905   9.905
  300   1HG   LYS  38           HG2      LYS  38  -9.014   9.990   9.990
  301   2HG   LYS  38           HG3      LYS  38  -8.740   8.470   8.470
  302   1HD   LYS  38           HD2      LYS  38 -10.439  10.234  10.234
  303   2HD   LYS  38           HD3      LYS  38 -11.119  10.011  10.011
  304   1HE   LYS  38           HE2      LYS  38 -11.708   7.856   7.856
  305   2HE   LYS  38           HE3      LYS  38 -10.111   7.468   7.468
  306   1HZ   LYS  38           HZ1      LYS  38 -11.390   7.290   7.290
  307   2HZ   LYS  38           HZ2      LYS  38 -10.942   8.849   8.849
  308    H    CYS  39           HN       CYS  39  -8.286  12.233  12.233
  309    HA   CYS  39           HA       CYS  39 -11.062  13.111  13.111
  310   1HB   CYS  39           HB2      CYS  39 -11.253  12.676  12.676
  311   2HB   CYS  39           HB3      CYS  39 -10.909  11.247  11.247
  312    H    GLY  40           HN       GLY  40  -7.747  13.984  13.984
  313   1HA   GLY  40           HA1      GLY  40  -7.008  16.196  16.196
  314   2HA   GLY  40           HA2      GLY  40  -8.602  16.749  16.749
  315    H    LYS  41           HN       LYS  41  -8.277  14.117  14.117
  316    HA   LYS  41           HA       LYS  41  -7.759  15.659  15.659
  317   1HB   LYS  41           HB2      LYS  41  -9.042  13.325  13.325
  318   2HB   LYS  41           HB3      LYS  41  -7.535  12.701  12.701
  319   1HG   LYS  41           HG2      LYS  41  -7.983  14.674  14.674
  320   2HG   LYS  41           HG3      LYS  41  -9.642  14.352  14.352
  321   1HD   LYS  41           HD2      LYS  41  -9.570  12.114  12.114
  322   2HD   LYS  41           HD3      LYS  41  -7.824  12.019  12.019
  323   1HE   LYS  41           HE2      LYS  41  -7.886  12.338  12.338
  324   2HE   LYS  41           HE3      LYS  41  -8.053  14.031  14.031
  325   1HZ   LYS  41           HZ1      LYS  41 -10.489  12.392  12.392
  326   2HZ   LYS  41           HZ2      LYS  41  -9.811  12.889  12.889
  327    H    GLU  42           HN       GLU  42  -5.841  16.406  16.406
  328    HA   GLU  42           HA       GLU  42  -3.464  15.264  15.264
  329   1HB   GLU  42           HB2      GLU  42  -2.318  17.123  17.123
  330   2HB   GLU  42           HB3      GLU  42  -3.703  17.715  17.715
  331   1HG   GLU  42           HG2      GLU  42  -4.843  17.148  17.148
  332   2HG   GLU  42           HG3      GLU  42  -3.234  17.661  17.661
  333    HE2  GLU  42           HE2      GLU  42  -4.805  19.445  19.445
  334    H    GLY  43           HN       GLY  43  -3.607  13.100  13.100
  335   1HA   GLY  43           HA1      GLY  43  -2.198  12.909  12.909
  336   2HA   GLY  43           HA2      GLY  43  -3.889  12.498  12.498
  337    H    HIS  44           HN       HIS  44  -4.778  10.994  10.994
  338    HA   HIS  44           HA       HIS  44  -2.938   8.756   8.756
  339   1HB   HIS  44           HB2      HIS  44  -4.861   7.422   7.422
  340   2HB   HIS  44           HB3      HIS  44  -5.233   8.425   8.425
  341    HD1  HIS  44           HD1      HIS  44  -7.048  10.264  10.264
  342    HD2  HIS  44           HD2      HIS  44  -6.277   8.074   8.074
  343    HE1  HIS  44           HE1      HIS  44  -8.923  10.838  10.838
  344    H    GLN  45           HN       GLN  45  -3.487   7.355   7.355
  345    HA   GLN  45           HA       GLN  45  -3.062   9.269   9.269
  346   1HB   GLN  45           HB2      GLN  45  -1.540   7.299   7.299
  347   2HB   GLN  45           HB3      GLN  45  -0.888   8.484   8.484
  348   1HG   GLN  45           HG2      GLN  45  -1.444   6.920   6.920
  349   2HG   GLN  45           HG3      GLN  45  -1.966   5.725   5.725
  350   1HE2  GLN  45           HE2      GLN  45   1.308   5.099   5.099
  351   2HE2  GLN  45           HE2      GLN  45  -0.350   5.308   5.308
  352    H    MET  46           HN       MET  46  -3.171   7.856   7.856
  353    HA   MET  46           HA       MET  46  -5.799   7.126   7.126
  354   1HB   MET  46           HB2      MET  46  -3.351   7.149   7.149
  355   2HB   MET  46           HB3      MET  46  -4.306   5.733   5.733
  356   1HG   MET  46           HG2      MET  46  -6.016   8.108   8.108
  357   2HG   MET  46           HG3      MET  46  -4.739   8.378   8.378
  358   1HE   MET  46           HE3      MET  46  -3.874   6.390   6.390
  359   2HE   MET  46           HE1      MET  46  -4.814   4.969   4.969
  360   3HE   MET  46           HE2      MET  46  -4.911   6.484   6.484
  361    H    LYS  47           HN       LYS  47  -2.858   5.050   5.050
  362    HA   LYS  47           HA       LYS  47  -4.260   2.620   2.620
  363   1HB   LYS  47           HB2      LYS  47  -1.811   2.939   2.939
  364   2HB   LYS  47           HB3      LYS  47  -1.610   3.193   3.193
  365   1HG   LYS  47           HG2      LYS  47  -1.375   0.939   0.939
  366   2HG   LYS  47           HG3      LYS  47  -3.102   0.829   0.829
  367   1HD   LYS  47           HD2      LYS  47  -1.031   0.869   0.869
  368   2HD   LYS  47           HD3      LYS  47  -1.684  -0.604  -0.604
  369   1HE   LYS  47           HE2      LYS  47  -3.435   1.585   1.585
  370   2HE   LYS  47           HE3      LYS  47  -2.844   0.216   0.216
  371   1HZ   LYS  47           HZ1      LYS  47  -4.166  -1.244  -1.244
  372   2HZ   LYS  47           HZ2      LYS  47  -4.262  -0.297  -0.297
  373    H    ASP  48           HN       ASP  48  -4.098   5.065   5.065
  374    HA   ASP  48           HA       ASP  48  -5.205   3.134   3.134
  375   1HB   ASP  48           HB2      ASP  48  -3.301   5.427   5.427
  376   2HB   ASP  48           HB3      ASP  48  -4.500   5.257   5.257
  377    HD1  ASP  48           HD2      ASP  48  -3.802   1.950   1.950
  378    H    CYS  49           HN       CYS  49  -6.508   4.781   4.781
  379    HA   CYS  49           HA       CYS  49  -7.876   6.871   6.871
  380   1HB   CYS  49           HB2      CYS  49  -7.172   7.241   7.241
  381   2HB   CYS  49           HB3      CYS  49  -8.187   5.915   5.915
  382    H    THR  50           HN       THR  50  -9.479   6.194   6.194
  383    HA   THR  50           HA       THR  50 -10.891   3.726   3.726
  384    HB   THR  50           HB       THR  50 -10.061   4.369   4.369
  385    HG1  THR  50           HG1      THR  50 -12.383   4.149   4.149
  386   1HG2  THR  50           HG2      THR  50 -10.759   6.908   6.908
  387   2HG2  THR  50           HG2      THR  50 -12.358   6.346   6.346
  388   3HG2  THR  50           HG2      THR  50 -10.950   6.201   6.201
  389    H    GLU  51           HN       GLU  51 -11.113   6.618   6.618
  390    HA   GLU  51           HA       GLU  51 -13.972   6.872   6.872
  391   1HB   GLU  51           HB2      GLU  51 -12.144   8.797   8.797
  392   2HB   GLU  51           HB3      GLU  51 -12.308   8.533   8.533
  393   1HG   GLU  51           HG2      GLU  51 -13.866  10.295  10.295
  394   2HG   GLU  51           HG3      GLU  51 -14.773   8.897   8.897
  395    HE2  GLU  51           HE2      GLU  51 -13.930   9.847   9.847
  396    H    ARG  52           HN       ARG  52 -15.192   5.465   5.465
  397    HA   ARG  52           HA       ARG  52 -14.103   4.354   4.354
  398   1HB   ARG  52           HB2      ARG  52 -16.308   3.136   3.136
  399   2HB   ARG  52           HB3      ARG  52 -15.509   2.960   2.960
  400   1HG   ARG  52           HG2      ARG  52 -17.103   5.332   5.332
  401   2HG   ARG  52           HG3      ARG  52 -18.111   4.122   4.122
  402   1HD   ARG  52           HD2      ARG  52 -16.502   3.392   3.392
  403   2HD   ARG  52           HD3      ARG  52 -18.020   4.250   4.250
  404    HE   ARG  52           HE       ARG  52 -17.695   1.459   1.459
  405   1HH1  ARG  52           HH2      ARG  52 -19.801   4.260   4.260
  406   2HH1  ARG  52           HH2      ARG  52 -21.200   3.300   3.300
  407    HH2  ARG  52           HH1      ARG  52 -21.024   0.910   0.910
  408    H    GLN  53           HN       GLN  53 -14.341   5.182   5.182
  409    HA   GLN  53           HA       GLN  53 -15.602   7.601   7.601
  410   1HB   GLN  53           HB2      GLN  53 -15.345   6.909   6.909
  411   2HB   GLN  53           HB3      GLN  53 -13.893   7.065   7.065
  412   1HG   GLN  53           HG2      GLN  53 -15.032   4.362   4.362
  413   2HG   GLN  53           HG3      GLN  53 -14.708   4.788   4.788
  414   1HE2  GLN  53           HE2      GLN  53 -11.506   3.492   3.492
  415   2HE2  GLN  53           HE2      GLN  53 -13.075   3.211   3.211
  416    H    ALA  54           HN       ALA  54 -16.747   4.234   4.234
  417    HA   ALA  54           HA       ALA  54 -19.419   5.310   5.310
  418   1HB   ALA  54           HB3      ALA  54 -17.883   3.140   3.140
  419   2HB   ALA  54           HB1      ALA  54 -19.659   3.055   3.055
  420   3HB   ALA  54           HB2      ALA  54 -18.877   4.453   4.453
  421    H    ASN  55           HN       ASN  55 -17.716   2.180   2.180
  422    HA   ASN  55           HA       ASN  55 -19.149   2.090   2.090
  423   1HB   ASN  55           HB2      ASN  55 -19.672   0.215   0.215
  424   2HB   ASN  55           HB3      ASN  55 -19.729  -0.445  -0.445
  425   1HD2  ASN  55           HD2      ASN  55 -22.897   0.710   0.710
  426   2HD2  ASN  55           HD2      ASN  55 -21.563  -0.350  -0.350

  Start of MODEL   14
    1    H    MET   1           HN       MET   1   1.884   0.000   0.000
    2    HA   MET   1           HA       MET   1   2.999  -0.535  -0.535
    3   1HB   MET   1           HB2      MET   1   0.315  -1.057  -1.057
    4   2HB   MET   1           HB3      MET   1   1.014  -0.003  -0.003
    5   1HG   MET   1           HG2      MET   1   2.351  -2.559  -2.559
    6   2HG   MET   1           HG3      MET   1   1.389  -2.470  -2.470
    7   1HE   MET   1           HE3      MET   1   4.353  -2.552  -2.552
    8   2HE   MET   1           HE1      MET   1   5.171  -2.934  -2.934
    9   3HE   MET   1           HE2      MET   1   5.546  -1.418  -1.418
   10    H    GLN   2           HN       GLN   2   0.396   1.936   1.936
   11    HA   GLN   2           HA       GLN   2   2.412   3.633   3.633
   12   1HB   GLN   2           HB2      GLN   2   0.530   5.023   5.023
   13   2HB   GLN   2           HB3      GLN   2   0.226   3.348   3.348
   14   1HG   GLN   2           HG2      GLN   2  -0.779   4.322   4.322
   15   2HG   GLN   2           HG3      GLN   2  -1.625   4.871   4.871
   16   1HE2  GLN   2           HE2      GLN   2  -2.674   1.591   1.591
   17   2HE2  GLN   2           HE2      GLN   2  -2.036   3.085   3.085
   18    H    LYS   3           HN       LYS   3   2.824   5.819   5.819
   19    HA   LYS   3           HA       LYS   3   1.623   6.664   6.664
   20   1HB   LYS   3           HB2      LYS   3   4.223   5.271   5.271
   21   2HB   LYS   3           HB3      LYS   3   4.241   6.825   6.825
   22   1HG   LYS   3           HG2      LYS   3   2.937   6.078   6.078
   23   2HG   LYS   3           HG3      LYS   3   1.831   5.243   5.243
   24   1HD   LYS   3           HD2      LYS   3   2.768   3.383   3.383
   25   2HD   LYS   3           HD3      LYS   3   3.945   3.585   3.585
   26   1HE   LYS   3           HE2      LYS   3   4.789   5.319   5.319
   27   2HE   LYS   3           HE3      LYS   3   4.321   3.820   3.820
   28   1HZ   LYS   3           HZ1      LYS   3   6.210   2.908   2.908
   29   2HZ   LYS   3           HZ2      LYS   3   5.791   3.185   3.185
   30    H    GLY   4           HN       GLY   4   1.072   8.139   8.139
   31   1HA   GLY   4           HA1      GLY   4   2.685   9.672   9.672
   32   2HA   GLY   4           HA2      GLY   4   1.256  10.301  10.301
   33    H    ASN   5           HN       ASN   5   1.677  10.700  10.700
   34    HA   ASN   5           HA       ASN   5   4.198  11.280  11.280
   35   1HB   ASN   5           HB2      ASN   5   3.725  13.085  13.085
   36   2HB   ASN   5           HB3      ASN   5   2.889  13.921  13.921
   37   1HD2  ASN   5           HD2      ASN   5   5.816  14.361  14.361
   38   2HD2  ASN   5           HD2      ASN   5   4.144  13.917  13.917
   39    H    PHE   6           HN       PHE   6   3.206  10.500  10.500
   40    HA   PHE   6           HA       PHE   6   0.749  11.507  11.507
   41   1HB   PHE   6           HB2      PHE   6   3.071   9.798   9.798
   42   2HB   PHE   6           HB3      PHE   6   2.084  10.460  10.460
   43    HD1  PHE   6           HD1      PHE   6  -0.618  10.321  10.321
   44    HD2  PHE   6           HD2      PHE   6   2.563   7.563   7.563
   45    HE1  PHE   6           HE1      PHE   6  -2.279   8.467   8.467
   46    HE2  PHE   6           HE2      PHE   6   0.902   5.709   5.709
   47   1HZ   PHE   6           HZ       PHE   6  -1.499   6.183   6.183
   48    H    ARG   7           HN       ARG   7   0.635  12.446  12.446
   49    HA   ARG   7           HA       ARG   7   1.790  14.962  14.962
   50   1HB   ARG   7           HB2      ARG   7   0.435  13.456  13.456
   51   2HB   ARG   7           HB3      ARG   7   0.914  15.136  15.136
   52   1HG   ARG   7           HG2      ARG   7  -0.819  14.204  14.204
   53   2HG   ARG   7           HG3      ARG   7  -1.536  14.578  14.578
   54   1HD   ARG   7           HD2      ARG   7  -0.802  16.874  16.874
   55   2HD   ARG   7           HD3      ARG   7   0.319  16.550  16.550
   56    HE   ARG   7           HE       ARG   7  -2.583  16.953  16.953
   57   1HH1  ARG   7           HH2      ARG   7   0.322  15.694  15.694
   58   2HH1  ARG   7           HH2      ARG   7  -0.352  15.799  15.799
   59    HH2  ARG   7           HH1      ARG   7  -2.585  16.624  16.624
   60    H    ASN   8           HN       ASN   8   3.564  15.904  15.904
   61    HA   ASN   8           HA       ASN   8   5.236  13.940  13.940
   62   1HB   ASN   8           HB2      ASN   8   5.806  15.755  15.755
   63   2HB   ASN   8           HB3      ASN   8   6.725  16.304  16.304
   64   1HD2  ASN   8           HD2      ASN   8   9.208  13.946  13.946
   65   2HD2  ASN   8           HD2      ASN   8   8.668  15.512  15.512
   66    H    GLN   9           HN       GLN   9   4.265  17.435  17.435
   67    HA   GLN   9           HA       GLN   9   5.518  18.336  18.336
   68   1HB   GLN   9           HB2      GLN   9   4.308  19.677  19.677
   69   2HB   GLN   9           HB3      GLN   9   2.803  19.292  19.292
   70   1HG   GLN   9           HG2      GLN   9   3.464  21.434  21.434
   71   2HG   GLN   9           HG3      GLN   9   3.807  20.290  20.290
   72   1HE2  GLN   9           HE2      GLN   9   7.128  21.167  21.167
   73   2HE2  GLN   9           HE2      GLN   9   5.660  20.553  20.553
   74    H    ARG  10           HN       ARG  10   1.969  17.545  17.545
   75    HA   ARG  10           HA       ARG  10   2.126  16.129  16.129
   76   1HB   ARG  10           HB2      ARG  10   1.114  18.936  18.936
   77   2HB   ARG  10           HB3      ARG  10   0.037  17.815  17.815
   78   1HG   ARG  10           HG2      ARG  10   1.404  17.653  17.653
   79   2HG   ARG  10           HG3      ARG  10   2.821  17.374  17.374
   80   1HD   ARG  10           HD2      ARG  10   3.474  19.445  19.445
   81   2HD   ARG  10           HD3      ARG  10   2.395  20.046  20.046
   82    HE   ARG  10           HE       ARG  10   0.985  20.832  20.832
   83   1HH1  ARG  10           HH2      ARG  10   2.959  18.218  18.218
   84   2HH1  ARG  10           HH2      ARG  10   2.338  18.410  18.410
   85    HH2  ARG  10           HH1      ARG  10   0.697  20.104  20.104
   86    H    LYS  11           HN       LYS  11   0.481  14.567  14.567
   87    HA   LYS  11           HA       LYS  11  -1.030  14.150  14.150
   88   1HB   LYS  11           HB2      LYS  11  -1.274  12.979  12.979
   89   2HB   LYS  11           HB3      LYS  11  -2.145  12.386  12.386
   90   1HG   LYS  11           HG2      LYS  11   0.713  12.691  12.691
   91   2HG   LYS  11           HG3      LYS  11   0.472  11.663  11.663
   92   1HD   LYS  11           HD2      LYS  11  -0.794  10.071  10.071
   93   2HD   LYS  11           HD3      LYS  11  -1.238  11.220  11.220
   94   1HE   LYS  11           HE2      LYS  11   0.411   9.766   9.766
   95   2HE   LYS  11           HE3      LYS  11   1.221  11.292  11.292
   96   1HZ   LYS  11           HZ1      LYS  11   1.858   8.766   8.766
   97   2HZ   LYS  11           HZ2      LYS  11   2.685  10.160  10.160
   98    H    THR  12           HN       THR  12  -3.239  14.444  14.444
   99    HA   THR  12           HA       THR  12  -5.018  15.817  15.817
  100    HB   THR  12           HB       THR  12  -5.109  14.737  14.737
  101    HG1  THR  12           HG1      THR  12  -6.414  14.023  14.023
  102   1HG2  THR  12           HG2      THR  12  -7.349  15.827  15.827
  103   2HG2  THR  12           HG2      THR  12  -7.584  14.992  14.992
  104   3HG2  THR  12           HG2      THR  12  -6.781  16.580  16.580
  105    H    VAL  13           HN       VAL  13  -4.180  17.854  17.854
  106    HA   VAL  13           HA       VAL  13  -3.459  19.497  19.497
  107    HB   VAL  13           HB       VAL  13  -2.820  21.123  21.123
  108   1HG1  VAL  13           HG1      VAL  13  -1.523  18.806  18.806
  109   2HG1  VAL  13           HG1      VAL  13  -1.456  18.735  18.735
  110   3HG1  VAL  13           HG1      VAL  13  -0.802  20.150  20.150
  111   1HG2  VAL  13           HG2      VAL  13  -4.566  19.698  19.698
  112   2HG2  VAL  13           HG2      VAL  13  -3.444  20.981  20.981
  113   3HG2  VAL  13           HG2      VAL  13  -2.954  19.273  19.273
  114    H    LYS  14           HN       LYS  14  -4.436  21.684  21.684
  115    HA   LYS  14           HA       LYS  14  -7.195  21.737  21.737
  116   1HB   LYS  14           HB2      LYS  14  -8.072  22.236  22.236
  117   2HB   LYS  14           HB3      LYS  14  -6.900  20.982  20.982
  118   1HG   LYS  14           HG2      LYS  14  -5.206  22.868  22.868
  119   2HG   LYS  14           HG3      LYS  14  -6.553  23.986  23.986
  120   1HD   LYS  14           HD2      LYS  14  -7.719  22.508  22.508
  121   2HD   LYS  14           HD3      LYS  14  -6.182  21.690  21.690
  122   1HE   LYS  14           HE2      LYS  14  -6.440  24.720  24.720
  123   2HE   LYS  14           HE3      LYS  14  -6.676  23.660  23.660
  124   1HZ   LYS  14           HZ1      LYS  14  -4.440  23.860  23.860
  125   2HZ   LYS  14           HZ2      LYS  14  -4.335  22.762  22.762
  126    H    CYS  15           HN       CYS  15  -7.964  23.753  23.753
  127    HA   CYS  15           HA       CYS  15  -5.896  25.667  25.667
  128   1HB   CYS  15           HB2      CYS  15  -7.502  25.163  25.163
  129   2HB   CYS  15           HB3      CYS  15  -8.838  25.616  25.616
  130    H    PHE  16           HN       PHE  16  -5.356  27.231  27.231
  131    HA   PHE  16           HA       PHE  16  -7.176  27.747  27.747
  132   1HB   PHE  16           HB2      PHE  16  -4.374  27.674  27.674
  133   2HB   PHE  16           HB3      PHE  16  -4.709  29.386  29.386
  134    HD1  PHE  16           HD2      PHE  16  -5.918  26.303  26.303
  135    HD2  PHE  16           HD1      PHE  16  -4.205  30.169  30.169
  136    HE1  PHE  16           HE2      PHE  16  -5.901  26.067  26.067
  137    HE2  PHE  16           HE1      PHE  16  -4.188  29.934  29.934
  138   1HZ   PHE  16           HZ       PHE  16  -5.036  27.885  27.885
  139    H    ASN  17           HN       ASN  17  -7.431  28.713  28.713
  140    HA   ASN  17           HA       ASN  17  -7.608  31.546  31.546
  141   1HB   ASN  17           HB2      ASN  17  -6.358  30.688  30.688
  142   2HB   ASN  17           HB3      ASN  17  -7.911  30.173  30.173
  143   1HD2  ASN  17           HD2      ASN  17  -8.755  33.250  33.250
  144   2HD2  ASN  17           HD2      ASN  17  -8.916  31.525  31.525
  145    H    CYS  18           HN       CYS  18  -9.378  28.714  28.714
  146    HA   CYS  18           HA       CYS  18 -11.862  30.231  30.231
  147   1HB   CYS  18           HB2      CYS  18 -12.829  28.486  28.486
  148   2HB   CYS  18           HB3      CYS  18 -11.579  29.465  29.465
  149    H    GLY  19           HN       GLY  19  -9.994  27.358  27.358
  150   1HA   GLY  19           HA1      GLY  19 -10.259  26.301  26.301
  151   2HA   GLY  19           HA2      GLY  19 -11.898  26.908  26.908
  152    H    LYS  20           HN       LYS  20 -10.783  25.515  25.515
  153    HA   LYS  20           HA       LYS  20 -12.542  23.227  23.227
  154   1HB   LYS  20           HB2      LYS  20 -12.826  25.045  25.045
  155   2HB   LYS  20           HB3      LYS  20 -11.716  23.963  23.963
  156   1HG   LYS  20           HG2      LYS  20 -13.299  22.334  22.334
  157   2HG   LYS  20           HG3      LYS  20 -13.847  22.492  22.492
  158   1HD   LYS  20           HD2      LYS  20 -15.724  23.176  23.176
  159   2HD   LYS  20           HD3      LYS  20 -15.013  24.685  24.685
  160   1HE   LYS  20           HE2      LYS  20 -13.759  24.820  24.820
  161   2HE   LYS  20           HE3      LYS  20 -14.609  23.382  23.382
  162   1HZ   LYS  20           HZ1      LYS  20 -15.540  25.992  25.992
  163   2HZ   LYS  20           HZ2      LYS  20 -16.379  24.648  24.648
  164    H    GLU  21           HN       GLU  21 -11.765  21.145  21.145
  165    HA   GLU  21           HA       GLU  21  -8.919  20.940  20.940
  166   1HB   GLU  21           HB2      GLU  21  -9.332  18.566  18.566
  167   2HB   GLU  21           HB3      GLU  21 -10.232  19.650  19.650
  168   1HG   GLU  21           HG2      GLU  21 -12.201  18.729  18.729
  169   2HG   GLU  21           HG3      GLU  21 -11.849  19.055  19.055
  170    HE1  GLU  21           HE2      GLU  21 -10.582  17.167  17.167
  171    H    GLY  22           HN       GLY  22  -7.624  19.872  19.872
  172   1HA   GLY  22           HA1      GLY  22  -7.636  18.296  18.296
  173   2HA   GLY  22           HA2      GLY  22  -9.033  19.155  19.155
  174    H    HIS  23           HN       HIS  23  -7.012  21.412  21.412
  175    HA   HIS  23           HA       HIS  23  -5.012  21.759  21.759
  176   1HB   HIS  23           HB2      HIS  23  -5.785  23.466  23.466
  177   2HB   HIS  23           HB3      HIS  23  -7.083  22.288  22.288
  178    HD1  HIS  23           HD1      HIS  23  -9.254  22.912  22.912
  179    HD2  HIS  23           HD2      HIS  23  -6.453  25.995  25.995
  180    HE1  HIS  23           HE1      HIS  23 -10.453  25.074  25.074
  181    H    ILE  24           HN       ILE  24  -3.841  23.885  23.885
  182    HA   ILE  24           HA       ILE  24  -4.267  24.686  24.686
  183    HB   ILE  24           HB       ILE  24  -1.889  25.469  25.469
  184   1HG1  ILE  24           HG1      ILE  24  -1.889  23.844  23.844
  185   2HG1  ILE  24           HG1      ILE  24  -1.830  25.594  25.594
  186   1HG2  ILE  24           HG2      ILE  24  -2.820  23.193  23.193
  187   2HG2  ILE  24           HG2      ILE  24  -1.998  22.520  22.520
  188   3HG2  ILE  24           HG2      ILE  24  -1.068  23.426  23.426
  189   1HD1  ILE  24           HD1      ILE  24   0.178  24.480  24.480
  190   2HD1  ILE  24           HD1      ILE  24   0.360  23.795  23.795
  191   3HD1  ILE  24           HD1      ILE  24   0.400  25.559  25.559
  192    H    ALA  25           HN       ALA  25  -3.545  27.058  27.058
  193    HA   ALA  25           HA       ALA  25  -5.274  28.726  28.726
  194   1HB   ALA  25           HB2      ALA  25  -2.873  29.249  29.249
  195   2HB   ALA  25           HB3      ALA  25  -3.950  30.538  30.538
  196   3HB   ALA  25           HB1      ALA  25  -4.595  29.247  29.247
  197    H    LYS  26           HN       LYS  26  -1.748  28.080  28.080
  198    HA   LYS  26           HA       LYS  26  -1.310  30.095  30.095
  199   1HB   LYS  26           HB2      LYS  26   0.398  28.845  28.845
  200   2HB   LYS  26           HB3      LYS  26   0.229  27.505  27.505
  201   1HG   LYS  26           HG2      LYS  26   1.784  28.523  28.523
  202   2HG   LYS  26           HG3      LYS  26   0.560  29.713  29.713
  203   1HD   LYS  26           HD2      LYS  26   1.340  30.774  30.774
  204   2HD   LYS  26           HD3      LYS  26   2.814  29.897  29.897
  205   1HE   LYS  26           HE2      LYS  26   3.063  32.116  32.116
  206   2HE   LYS  26           HE3      LYS  26   2.854  31.012  31.012
  207   1HZ   LYS  26           HZ1      LYS  26   0.421  32.206  32.206
  208   2HZ   LYS  26           HZ2      LYS  26   1.393  33.196  33.196
  209    H    ASN  27           HN       ASN  27  -3.002  27.065  27.065
  210    HA   ASN  27           HA       ASN  27  -2.794  27.106  27.106
  211   1HB   ASN  27           HB2      ASN  27  -2.772  24.976  24.976
  212   2HB   ASN  27           HB3      ASN  27  -4.253  24.804  24.804
  213   1HD2  ASN  27           HD2      ASN  27  -0.543  24.495  24.495
  214   2HD2  ASN  27           HD2      ASN  27  -0.766  25.361  25.361
  215    H    CYS  28           HN       CYS  28  -4.485  28.843  28.843
  216    HA   CYS  28           HA       CYS  28  -7.156  27.862  27.862
  217   1HB   CYS  28           HB2      CYS  28  -6.430  29.073  29.073
  218   2HB   CYS  28           HB3      CYS  28  -6.262  30.535  30.535
  219    H    ARG  29           HN       ARG  29  -8.316  28.259  28.259
  220    HA   ARG  29           HA       ARG  29  -7.172  30.008  30.008
  221   1HB   ARG  29           HB2      ARG  29  -8.590  27.703  27.703
  222   2HB   ARG  29           HB3      ARG  29  -9.924  28.831  28.831
  223   1HG   ARG  29           HG2      ARG  29  -7.923  29.925  29.925
  224   2HG   ARG  29           HG3      ARG  29  -7.807  28.198  28.198
  225   1HD   ARG  29           HD2      ARG  29  -9.430  29.058  29.058
  226   2HD   ARG  29           HD3      ARG  29 -10.324  28.150  28.150
  227    HE   ARG  29           HE       ARG  29 -11.235  30.167  30.167
  228   1HH1  ARG  29           HH2      ARG  29  -8.782  30.857  30.857
  229   2HH1  ARG  29           HH2      ARG  29  -9.224  32.525  32.525
  230    HH2  ARG  29           HH1      ARG  29 -11.012  33.391  33.391
  231    H    ALA  30           HN       ALA  30  -8.842  30.662  30.662
  232    HA   ALA  30           HA       ALA  30 -10.226  32.931  32.931
  233   1HB   ALA  30           HB3      ALA  30 -11.416  30.699  30.699
  234   2HB   ALA  30           HB1      ALA  30 -11.598  32.141  32.141
  235   3HB   ALA  30           HB2      ALA  30 -12.208  32.156  32.156
  236    HA   PRO  31           HA       PRO  31  -7.387  34.454  34.454
  237   1HB   PRO  31           HB2      PRO  31  -6.635  36.708  36.708
  238   2HB   PRO  31           HB3      PRO  31  -5.781  35.183  35.183
  239   1HG   PRO  31           HG2      PRO  31  -7.608  36.454  36.454
  240   2HG   PRO  31           HG3      PRO  31  -6.435  35.180  35.180
  241   1HD   PRO  31           HD2      PRO  31  -9.279  34.876  34.876
  242   2HD   PRO  31           HD3      PRO  31  -8.096  33.592  33.592
  243    H    ARG  32           HN       ARG  32  -9.942  36.095  36.095
  244    HA   ARG  32           HA       ARG  32 -10.224  38.330  38.330
  245   1HB   ARG  32           HB2      ARG  32 -11.904  36.684  36.684
  246   2HB   ARG  32           HB3      ARG  32 -12.820  36.935  36.935
  247   1HG   ARG  32           HG2      ARG  32 -12.331  39.445  39.445
  248   2HG   ARG  32           HG3      ARG  32 -11.668  39.090  39.090
  249   1HD   ARG  32           HD2      ARG  32 -13.941  39.685  39.685
  250   2HD   ARG  32           HD3      ARG  32 -13.924  37.936  37.936
  251    HE   ARG  32           HE       ARG  32 -14.534  38.271  38.271
  252   1HH1  ARG  32           HH2      ARG  32 -15.859  39.840  39.840
  253   2HH1  ARG  32           HH2      ARG  32 -17.420  40.098  40.098
  254    HH2  ARG  32           HH1      ARG  32 -17.829  39.368  39.368
  255    H    LYS  33           HN       LYS  33 -11.769  38.939  38.939
  256    HA   LYS  33           HA       LYS  33 -12.319  36.875  36.875
  257   1HB   LYS  33           HB2      LYS  33  -9.773  37.961  37.961
  258   2HB   LYS  33           HB3      LYS  33 -10.662  38.926  38.926
  259   1HG   LYS  33           HG2      LYS  33 -10.392  37.209  37.209
  260   2HG   LYS  33           HG3      LYS  33 -11.579  36.331  36.331
  261   1HD   LYS  33           HD2      LYS  33  -9.223  35.982  35.982
  262   2HD   LYS  33           HD3      LYS  33  -8.656  35.929  35.929
  263   1HE   LYS  33           HE2      LYS  33 -11.003  34.271  34.271
  264   2HE   LYS  33           HE3      LYS  33  -9.359  33.674  33.674
  265   1HZ   LYS  33           HZ1      LYS  33 -10.133  34.828  34.828
  266   2HZ   LYS  33           HZ2      LYS  33 -11.210  33.685  33.685
  267    H    LYS  34           HN       LYS  34 -14.067  37.442  37.442
  268    HA   LYS  34           HA       LYS  34 -14.681  40.155  40.155
  269   1HB   LYS  34           HB2      LYS  34 -15.393  39.512  39.512
  270   2HB   LYS  34           HB3      LYS  34 -16.834  38.994  38.994
  271   1HG   LYS  34           HG2      LYS  34 -17.353  41.239  41.239
  272   2HG   LYS  34           HG3      LYS  34 -16.617  41.343  41.343
  273   1HD   LYS  34           HD2      LYS  34 -15.545  43.066  43.066
  274   2HD   LYS  34           HD3      LYS  34 -14.373  41.764  41.764
  275   1HE   LYS  34           HE2      LYS  34 -15.387  41.015  41.015
  276   2HE   LYS  34           HE3      LYS  34 -16.249  42.540  42.540
  277   1HZ   LYS  34           HZ1      LYS  34 -14.094  42.676  42.676
  278   2HZ   LYS  34           HZ2      LYS  34 -14.125  43.703  43.703
  279    H    GLY  35           HN       GLY  35 -14.717  39.386  39.386
  280   1HA   GLY  35           HA1      GLY  35 -16.442  37.158  37.158
  281   2HA   GLY  35           HA2      GLY  35 -15.434  38.105  38.105
  282    H    CYS  36           HN       CYS  36 -17.498  37.939  37.939
  283    HA   CYS  36           HA       CYS  36 -19.775  39.366  39.366
  284   1HB   CYS  36           HB2      CYS  36 -19.742  37.550  37.550
  285   2HB   CYS  36           HB3      CYS  36 -18.941  38.648  38.648
  286    H    TRP  37           HN       TRP  37 -19.827  41.568  41.568
  287    HA   TRP  37           HA       TRP  37 -17.865  43.185  43.185
  288   1HB   TRP  37           HB2      TRP  37 -19.282  43.319  43.319
  289   2HB   TRP  37           HB3      TRP  37 -19.491  44.805  44.805
  290    HD1  TRP  37           HD1      TRP  37 -16.155  42.961  42.961
  291    HE1  TRP  37           HE1      TRP  37 -14.167  44.297  44.297
  292    HE3  TRP  37           HE3      TRP  37 -19.075  46.421  46.421
  293    HZ2  TRP  37           HZ2      TRP  37 -14.042  46.599  46.599
  294    HZ3  TRP  37           HZ3      TRP  37 -17.941  48.179  48.179
  295    HH2  TRP  37           HH2      TRP  37 -15.513  48.302  48.302
  296    H    LYS  38           HN       LYS  38 -20.471  41.752  41.752
  297    HA   LYS  38           HA       LYS  38 -21.754  44.168  44.168
  298   1HB   LYS  38           HB2      LYS  38 -23.077  42.380  42.380
  299   2HB   LYS  38           HB3      LYS  38 -22.874  41.366  41.366
  300   1HG   LYS  38           HG2      LYS  38 -23.974  44.198  44.198
  301   2HG   LYS  38           HG3      LYS  38 -25.017  42.831  42.831
  302   1HD   LYS  38           HD2      LYS  38 -23.848  41.748  41.748
  303   2HD   LYS  38           HD3      LYS  38 -23.396  43.398  43.398
  304   1HE   LYS  38           HE2      LYS  38 -25.485  43.025  43.025
  305   2HE   LYS  38           HE3      LYS  38 -25.869  44.033  44.033
  306   1HZ   LYS  38           HZ1      LYS  38 -27.243  41.876  41.876
  307   2HZ   LYS  38           HZ2      LYS  38 -26.881  42.267  42.267
  308    H    CYS  39           HN       CYS  39 -20.309  40.977  40.977
  309    HA   CYS  39           HA       CYS  39 -20.236  41.911  41.911
  310   1HB   CYS  39           HB2      CYS  39 -19.878  39.549  39.549
  311   2HB   CYS  39           HB3      CYS  39 -21.416  39.848  39.848
  312    H    GLY  40           HN       GLY  40 -18.420  41.091  41.091
  313   1HA   GLY  40           HA1      GLY  40 -16.236  41.731  41.731
  314   2HA   GLY  40           HA2      GLY  40 -15.944  41.876  41.876
  315    H    LYS  41           HN       LYS  41 -17.670  38.991  38.991
  316    HA   LYS  41           HA       LYS  41 -15.306  37.444  37.444
  317   1HB   LYS  41           HB2      LYS  41 -17.871  37.231  37.231
  318   2HB   LYS  41           HB3      LYS  41 -17.916  36.123  36.123
  319   1HG   LYS  41           HG2      LYS  41 -17.158  34.648  34.648
  320   2HG   LYS  41           HG3      LYS  41 -15.606  35.258  35.258
  321   1HD   LYS  41           HD2      LYS  41 -16.731  37.038  37.038
  322   2HD   LYS  41           HD3      LYS  41 -16.703  35.391  35.391
  323   1HE   LYS  41           HE2      LYS  41 -14.511  35.773  35.773
  324   2HE   LYS  41           HE3      LYS  41 -14.210  35.589  35.589
  325   1HZ   LYS  41           HZ1      LYS  41 -14.425  38.071  38.071
  326   2HZ   LYS  41           HZ2      LYS  41 -13.351  37.682  37.682
  327    H    GLU  42           HN       GLU  42 -13.975  36.690  36.690
  328    HA   GLU  42           HA       GLU  42 -14.934  36.728  36.728
  329   1HB   GLU  42           HB2      GLU  42 -12.587  36.314  36.314
  330   2HB   GLU  42           HB3      GLU  42 -12.691  37.630  37.630
  331   1HG   GLU  42           HG2      GLU  42 -12.414  35.581  35.581
  332   2HG   GLU  42           HG3      GLU  42 -11.618  34.846  34.846
  333    HE1  GLU  42           HE2      GLU  42  -9.858  36.063  36.063
  334    H    GLY  43           HN       GLY  43 -16.349  34.995  34.995
  335   1HA   GLY  43           HA1      GLY  43 -15.490  32.545  32.545
  336   2HA   GLY  43           HA2      GLY  43 -15.694  32.367  32.367
  337    H    HIS  44           HN       HIS  44 -17.915  34.036  34.036
  338    HA   HIS  44           HA       HIS  44 -19.976  32.567  32.567
  339   1HB   HIS  44           HB2      HIS  44 -21.265  32.535  32.535
  340   2HB   HIS  44           HB3      HIS  44 -19.649  32.387  32.387
  341    HD1  HIS  44           HD1      HIS  44 -19.181  33.911  33.911
  342    HD2  HIS  44           HD2      HIS  44 -22.114  35.467  35.467
  343    HE1  HIS  44           HE1      HIS  44 -19.974  36.092  36.092
  344    H    GLN  45           HN       GLN  45 -22.176  33.909  33.909
  345    HA   GLN  45           HA       GLN  45 -21.663  36.714  36.714
  346   1HB   GLN  45           HB2      GLN  45 -22.912  35.152  35.152
  347   2HB   GLN  45           HB3      GLN  45 -22.411  36.832  36.832
  348   1HG   GLN  45           HG2      GLN  45 -20.015  36.014  36.014
  349   2HG   GLN  45           HG3      GLN  45 -20.596  34.383  34.383
  350   1HE2  GLN  45           HE2      GLN  45 -20.044  37.055  37.055
  351   2HE2  GLN  45           HE2      GLN  45 -19.937  37.496  37.496
  352    H    MET  46           HN       MET  46 -24.043  37.557  37.557
  353    HA   MET  46           HA       MET  46 -25.768  37.463  37.463
  354   1HB   MET  46           HB2      MET  46 -25.645  38.620  38.620
  355   2HB   MET  46           HB3      MET  46 -27.107  37.657  37.657
  356   1HG   MET  46           HG2      MET  46 -28.111  39.458  39.458
  357   2HG   MET  46           HG3      MET  46 -27.410  38.839  38.839
  358   1HE   MET  46           HE1      MET  46 -25.419  39.323  39.323
  359   2HE   MET  46           HE2      MET  46 -24.077  39.817  39.817
  360   3HE   MET  46           HE3      MET  46 -24.766  40.975  40.975
  361    H    LYS  47           HN       LYS  47 -25.605  35.293  35.293
  362    HA   LYS  47           HA       LYS  47 -27.940  33.988  33.988
  363   1HB   LYS  47           HB2      LYS  47 -25.703  33.619  33.619
  364   2HB   LYS  47           HB3      LYS  47 -25.432  32.351  32.351
  365   1HG   LYS  47           HG2      LYS  47 -28.194  32.382  32.382
  366   2HG   LYS  47           HG3      LYS  47 -26.964  32.096  32.096
  367   1HD   LYS  47           HD2      LYS  47 -26.613  30.567  30.567
  368   2HD   LYS  47           HD3      LYS  47 -28.029  30.134  30.134
  369   1HE   LYS  47           HE2      LYS  47 -26.314  28.712  28.712
  370   2HE   LYS  47           HE3      LYS  47 -26.451  29.979  29.979
  371   1HZ   LYS  47           HZ1      LYS  47 -24.353  30.626  30.626
  372   2HZ   LYS  47           HZ2      LYS  47 -24.590  30.697  30.697
  373    H    ASP  48           HN       ASP  48 -25.389  33.931  33.931
  374    HA   ASP  48           HA       ASP  48 -27.236  32.630  32.630
  375   1HB   ASP  48           HB2      ASP  48 -25.466  30.983  30.983
  376   2HB   ASP  48           HB3      ASP  48 -24.514  31.400  31.400
  377    HD2  ASP  48           HD2      ASP  48 -27.588  28.977  28.977
  378    H    CYS  49           HN       CYS  49 -26.157  35.289  35.289
  379    HA   CYS  49           HA       CYS  49 -23.835  35.502  35.502
  380   1HB   CYS  49           HB2      CYS  49 -24.297  37.254  37.254
  381   2HB   CYS  49           HB3      CYS  49 -25.897  37.527  37.527
  382    H    THR  50           HN       THR  50 -23.990  34.648  34.648
  383    HA   THR  50           HA       THR  50 -26.363  34.551  34.551
  384    HB   THR  50           HB       THR  50 -24.243  33.140  33.140
  385    HG1  THR  50           HG1      THR  50 -25.853  33.203  33.203
  386   1HG2  THR  50           HG2      THR  50 -23.194  35.806  35.806
  387   2HG2  THR  50           HG2      THR  50 -22.918  34.558  34.558
  388   3HG2  THR  50           HG2      THR  50 -22.302  34.322  34.322
  389    H    GLU  51           HN       GLU  51 -24.354  37.224  37.224
  390    HA   GLU  51           HA       GLU  51 -24.999  38.628  38.628
  391   1HB   GLU  51           HB2      GLU  51 -23.151  38.972  38.972
  392   2HB   GLU  51           HB3      GLU  51 -23.915  40.477  40.477
  393   1HG   GLU  51           HG2      GLU  51 -22.890  38.742  38.742
  394   2HG   GLU  51           HG3      GLU  51 -21.682  39.510  39.510
  395    HE2  GLU  51           HE2      GLU  51 -24.432  40.135  40.135
  396    H    ARG  52           HN       ARG  52 -27.248  38.933  38.933
  397    HA   ARG  52           HA       ARG  52 -28.223  40.652  40.652
  398   1HB   ARG  52           HB2      ARG  52 -30.479  39.485  39.485
  399   2HB   ARG  52           HB3      ARG  52 -29.225  38.491  38.491
  400   1HG   ARG  52           HG2      ARG  52 -29.144  37.057  37.057
  401   2HG   ARG  52           HG3      ARG  52 -29.343  38.346  38.346
  402   1HD   ARG  52           HD2      ARG  52 -31.718  37.711  37.711
  403   2HD   ARG  52           HD3      ARG  52 -31.294  36.532  36.532
  404    HE   ARG  52           HE       ARG  52 -31.400  39.312  39.312
  405   1HH1  ARG  52           HH2      ARG  52 -33.198  36.293  36.293
  406   2HH1  ARG  52           HH2      ARG  52 -34.390  36.678  36.678
  407    HH2  ARG  52           HH1      ARG  52 -34.237  38.758  38.758
  408    H    GLN  53           HN       GLN  53 -27.604  42.326  42.326
  409    HA   GLN  53           HA       GLN  53 -29.543  42.377  42.377
  410   1HB   GLN  53           HB2      GLN  53 -27.959  43.835  43.835
  411   2HB   GLN  53           HB3      GLN  53 -27.184  42.331  42.331
  412   1HG   GLN  53           HG2      GLN  53 -26.219  43.472  43.472
  413   2HG   GLN  53           HG3      GLN  53 -26.944  44.978  44.978
  414   1HE2  GLN  53           HE2      GLN  53 -23.796  43.292  43.292
  415   2HE2  GLN  53           HE2      GLN  53 -24.881  42.329  42.329
  416    H    ALA  54           HN       ALA  54 -30.143  44.741  44.741
  417    HA   ALA  54           HA       ALA  54 -31.306  45.974  45.974
  418   1HB   ALA  54           HB3      ALA  54 -30.950  46.911  46.911
  419   2HB   ALA  54           HB1      ALA  54 -32.033  47.659  47.659
  420   3HB   ALA  54           HB2      ALA  54 -32.330  45.993  45.993
  421    H    ASN  55           HN       ASN  55 -31.022  48.525  48.525
  422    HA   ASN  55           HA       ASN  55 -28.628  49.696  49.696
  423   1HB   ASN  55           HB2      ASN  55 -27.541  49.640  49.640
  424   2HB   ASN  55           HB3      ASN  55 -27.449  48.133  48.133
  425   1HD2  ASN  55           HD2      ASN  55 -29.141  48.293  48.293
  426   2HD2  ASN  55           HD2      ASN  55 -28.165  49.523  49.523

  Start of MODEL   15
    1    H    MET   1           HN       MET   1   1.884   0.000   0.000
    2    HA   MET   1           HA       MET   1   3.017   0.497   0.497
    3   1HB   MET   1           HB2      MET   1   2.959  -1.451  -1.451
    4   2HB   MET   1           HB3      MET   1   2.799  -2.005  -2.005
    5   1HG   MET   1           HG2      MET   1   0.716  -2.855  -2.855
    6   2HG   MET   1           HG3      MET   1   0.170  -1.379  -1.379
    7   1HE   MET   1           HE3      MET   1  -1.196  -2.301  -2.301
    8   2HE   MET   1           HE1      MET   1  -0.585  -1.990  -1.990
    9   3HE   MET   1           HE2      MET   1  -0.974  -3.652  -3.652
   10    H    GLN   2           HN       GLN   2   3.090   1.196   1.196
   11    HA   GLN   2           HA       GLN   2   0.720   1.425   1.425
   12   1HB   GLN   2           HB2      GLN   2   0.916   3.378   3.378
   13   2HB   GLN   2           HB3      GLN   2   1.559   4.199   4.199
   14   1HG   GLN   2           HG2      GLN   2  -1.137   2.768   2.768
   15   2HG   GLN   2           HG3      GLN   2  -0.900   4.504   4.504
   16   1HE2  GLN   2           HE2      GLN   2  -1.021   2.375   2.375
   17   2HE2  GLN   2           HE2      GLN   2  -1.273   1.708   1.708
   18    H    LYS   3           HN       LYS   3   3.784   3.286   3.286
   19    HA   LYS   3           HA       LYS   3   4.993   2.338   2.338
   20   1HB   LYS   3           HB2      LYS   3   3.302   4.684   4.684
   21   2HB   LYS   3           HB3      LYS   3   4.969   5.075   5.075
   22   1HG   LYS   3           HG2      LYS   3   3.999   2.489   2.489
   23   2HG   LYS   3           HG3      LYS   3   3.217   3.919   3.919
   24   1HD   LYS   3           HD2      LYS   3   5.013   4.154   4.154
   25   2HD   LYS   3           HD3      LYS   3   5.923   4.651   4.651
   26   1HE   LYS   3           HE2      LYS   3   5.775   1.768   1.768
   27   2HE   LYS   3           HE3      LYS   3   6.249   2.260   2.260
   28   1HZ   LYS   3           HZ1      LYS   3   8.102   3.454   3.454
   29   2HZ   LYS   3           HZ2      LYS   3   7.580   3.333   3.333
   30    H    GLY   4           HN       GLY   4   4.903   5.380   5.380
   31   1HA   GLY   4           HA1      GLY   4   6.595   5.345   5.345
   32   2HA   GLY   4           HA2      GLY   4   7.756   4.892   4.892
   33    H    ASN   5           HN       ASN   5   7.695   6.431   6.431
   34    HA   ASN   5           HA       ASN   5   8.509   8.900   8.900
   35   1HB   ASN   5           HB2      ASN   5   7.577   7.868   7.868
   36   2HB   ASN   5           HB3      ASN   5   8.142   9.515   9.515
   37   1HD2  ASN   5           HD2      ASN   5  11.530   8.784   8.784
   38   2HD2  ASN   5           HD2      ASN   5  10.250   9.952   9.952
   39    H    PHE   6           HN       PHE   6   6.965  10.089  10.089
   40    HA   PHE   6           HA       PHE   6   4.395  10.591  10.591
   41   1HB   PHE   6           HB2      PHE   6   5.407  10.165  10.165
   42   2HB   PHE   6           HB3      PHE   6   4.258  11.480  11.480
   43    HD1  PHE   6           HD1      PHE   6   4.490   8.087   8.087
   44    HD2  PHE   6           HD2      PHE   6   2.171  10.828  10.828
   45    HE1  PHE   6           HE1      PHE   6   2.597   6.439   6.439
   46    HE2  PHE   6           HE2      PHE   6   0.278   9.180   9.180
   47   1HZ   PHE   6           HZ       PHE   6   0.514   7.005   7.005
   48    H    ARG   7           HN       ARG   7   3.459  12.812  12.812
   49    HA   ARG   7           HA       ARG   7   3.557  14.965  14.965
   50   1HB   ARG   7           HB2      ARG   7   4.984  14.511  14.511
   51   2HB   ARG   7           HB3      ARG   7   6.281  15.192  15.192
   52   1HG   ARG   7           HG2      ARG   7   5.493  17.277  17.277
   53   2HG   ARG   7           HG3      ARG   7   3.996  16.872  16.872
   54   1HD   ARG   7           HD2      ARG   7   2.945  17.078  17.078
   55   2HD   ARG   7           HD3      ARG   7   3.752  15.606  15.606
   56    HE   ARG   7           HE       ARG   7   4.534  18.368  18.368
   57   1HH1  ARG   7           HH2      ARG   7   5.448  14.945  14.945
   58   2HH1  ARG   7           HH2      ARG   7   6.641  15.140  15.140
   59    HH2  ARG   7           HH1      ARG   7   7.013  17.312  17.312
   60    H    ASN   8           HN       ASN   8   4.685  16.823  16.823
   61    HA   ASN   8           HA       ASN   8   5.782  15.963  15.963
   62   1HB   ASN   8           HB2      ASN   8   4.758  18.174  18.174
   63   2HB   ASN   8           HB3      ASN   8   5.887  18.667  18.667
   64   1HD2  ASN   8           HD2      ASN   8   6.679  19.281  19.281
   65   2HD2  ASN   8           HD2      ASN   8   5.153  18.802  18.802
   66    H    GLN   9           HN       GLN   9   7.438  17.952  17.952
   67    HA   GLN   9           HA       GLN   9   9.959  16.885  16.885
   68   1HB   GLN   9           HB2      GLN   9   9.061  19.345  19.345
   69   2HB   GLN   9           HB3      GLN   9  10.569  18.695  18.695
   70   1HG   GLN   9           HG2      GLN   9  10.444  18.675  18.675
   71   2HG   GLN   9           HG3      GLN   9  10.267  20.287  20.287
   72   1HE2  GLN   9           HE2      GLN   9  13.749  20.483  20.483
   73   2HE2  GLN   9           HE2      GLN   9  12.236  20.996  20.996
   74    H    ARG  10           HN       ARG  10   9.872  14.738  14.738
   75    HA   ARG  10           HA       ARG  10   9.053  14.028  14.028
   76   1HB   ARG  10           HB2      ARG  10   9.732  12.403  12.403
   77   2HB   ARG  10           HB3      ARG  10  11.402  12.924  12.924
   78   1HG   ARG  10           HG2      ARG  10  11.387  12.203  12.203
   79   2HG   ARG  10           HG3      ARG  10   9.786  11.538  11.538
   80   1HD   ARG  10           HD2      ARG  10  11.467   9.755   9.755
   81   2HD   ARG  10           HD3      ARG  10  10.691  10.042  10.042
   82    HE   ARG  10           HE       ARG  10  13.035  11.707  11.707
   83   1HH1  ARG  10           HH2      ARG  10  13.513   7.960   7.960
   84   2HH1  ARG  10           HH2      ARG  10  12.079   8.345   8.345
   85    HH2  ARG  10           HH1      ARG  10  15.175   9.653   9.653
   86    H    LYS  11           HN       LYS  11   9.659  14.769  14.769
   87    HA   LYS  11           HA       LYS  11  12.128  16.148  16.148
   88   1HB   LYS  11           HB2      LYS  11  11.355  16.383  16.383
   89   2HB   LYS  11           HB3      LYS  11  10.168  16.914  16.914
   90   1HG   LYS  11           HG2      LYS  11   8.657  15.456  15.456
   91   2HG   LYS  11           HG3      LYS  11   9.707  14.114  14.114
   92   1HD   LYS  11           HD2      LYS  11  10.927  15.177  15.177
   93   2HD   LYS  11           HD3      LYS  11   9.221  15.387  15.387
   94   1HE   LYS  11           HE2      LYS  11  10.034  12.729  12.729
   95   2HE   LYS  11           HE3      LYS  11  10.558  13.066  13.066
   96   1HZ   LYS  11           HZ1      LYS  11   7.843  13.819  13.819
   97   2HZ   LYS  11           HZ2      LYS  11   8.018  12.278  12.278
   98    H    THR  12           HN       THR  12  13.727  14.574  14.574
   99    HA   THR  12           HA       THR  12  14.547  12.968  12.968
  100    HB   THR  12           HB       THR  12  13.578  11.673  11.673
  101    HG1  THR  12           HG1      THR  12  12.109  10.736  10.736
  102   1HG2  THR  12           HG2      THR  12  15.570  10.794  10.794
  103   2HG2  THR  12           HG2      THR  12  14.164   9.703   9.703
  104   3HG2  THR  12           HG2      THR  12  15.108  10.026  10.026
  105    H    VAL  13           HN       VAL  13  15.529  15.295  15.295
  106    HA   VAL  13           HA       VAL  13  17.886  14.094  14.094
  107    HB   VAL  13           HB       VAL  13  18.083  16.019  16.019
  108   1HG1  VAL  13           HG1      VAL  13  15.136  15.317  15.317
  109   2HG1  VAL  13           HG1      VAL  13  15.889  16.185  16.185
  110   3HG1  VAL  13           HG1      VAL  13  16.357  14.504  14.504
  111   1HG2  VAL  13           HG2      VAL  13  17.652  17.699  17.699
  112   2HG2  VAL  13           HG2      VAL  13  16.727  18.043  18.043
  113   3HG2  VAL  13           HG2      VAL  13  15.912  17.327  17.327
  114    H    LYS  14           HN       LYS  14  19.545  16.396  16.396
  115    HA   LYS  14           HA       LYS  14  19.936  16.527  16.527
  116   1HB   LYS  14           HB2      LYS  14  22.298  16.706  16.706
  117   2HB   LYS  14           HB3      LYS  14  21.680  15.293  15.293
  118   1HG   LYS  14           HG2      LYS  14  21.387  17.013  17.013
  119   2HG   LYS  14           HG3      LYS  14  22.602  17.926  17.926
  120   1HD   LYS  14           HD2      LYS  14  23.103  14.982  14.982
  121   2HD   LYS  14           HD3      LYS  14  23.256  16.023  16.023
  122   1HE   LYS  14           HE2      LYS  14  24.652  17.503  17.503
  123   2HE   LYS  14           HE3      LYS  14  24.951  15.891  15.891
  124   1HZ   LYS  14           HZ1      LYS  14  25.674  15.275  15.275
  125   2HZ   LYS  14           HZ2      LYS  14  25.527  16.830  16.830
  126    H    CYS  15           HN       CYS  15  19.316  18.430  18.430
  127    HA   CYS  15           HA       CYS  15  18.712  20.652  20.652
  128   1HB   CYS  15           HB2      CYS  15  17.723  20.247  20.247
  129   2HB   CYS  15           HB3      CYS  15  19.281  20.436  20.436
  130    H    PHE  16           HN       PHE  16  20.225  21.772  21.772
  131    HA   PHE  16           HA       PHE  16  22.959  21.838  21.838
  132   1HB   PHE  16           HB2      PHE  16  21.414  22.042  22.042
  133   2HB   PHE  16           HB3      PHE  16  22.254  23.570  23.570
  134    HD1  PHE  16           HD1      PHE  16  24.835  23.306  23.306
  135    HD2  PHE  16           HD2      PHE  16  22.494  20.347  20.347
  136    HE1  PHE  16           HE1      PHE  16  26.921  22.264  22.264
  137    HE2  PHE  16           HE2      PHE  16  24.581  19.305  19.305
  138   1HZ   PHE  16           HZ       PHE  16  26.770  20.276  20.276
  139    H    ASN  17           HN       ASN  17  20.465  23.380  23.380
  140    HA   ASN  17           HA       ASN  17  21.589  26.042  26.042
  141   1HB   ASN  17           HB2      ASN  17  19.075  25.622  25.622
  142   2HB   ASN  17           HB3      ASN  17  19.016  25.151  25.151
  143   1HD2  ASN  17           HD2      ASN  17  19.256  26.652  26.652
  144   2HD2  ASN  17           HD2      ASN  17  19.184  28.364  28.364
  145    H    CYS  18           HN       CYS  18  20.671  23.423  23.423
  146    HA   CYS  18           HA       CYS  18  22.101  24.880  24.880
  147   1HB   CYS  18           HB2      CYS  18  20.867  23.471  23.471
  148   2HB   CYS  18           HB3      CYS  18  19.829  24.499  24.499
  149    H    GLY  19           HN       GLY  19  21.619  21.756  21.756
  150   1HA   GLY  19           HA1      GLY  19  23.510  20.439  20.439
  151   2HA   GLY  19           HA2      GLY  19  24.299  20.930  20.930
  152    H    LYS  20           HN       LYS  20  20.837  20.141  20.141
  153    HA   LYS  20           HA       LYS  20  21.511  17.654  17.654
  154   1HB   LYS  20           HB2      LYS  20  19.591  19.848  19.848
  155   2HB   LYS  20           HB3      LYS  20  19.029  18.217  18.217
  156   1HG   LYS  20           HG2      LYS  20  21.426  17.941  17.941
  157   2HG   LYS  20           HG3      LYS  20  21.351  19.689  19.689
  158   1HD   LYS  20           HD2      LYS  20  18.815  18.429  18.429
  159   2HD   LYS  20           HD3      LYS  20  20.168  17.866  17.866
  160   1HE   LYS  20           HE2      LYS  20  19.654  19.778  19.778
  161   2HE   LYS  20           HE3      LYS  20  20.777  20.484  20.484
  162   1HZ   LYS  20           HZ1      LYS  20  18.547  20.728  20.728
  163   2HZ   LYS  20           HZ2      LYS  20  17.868  20.743  20.743
  164    H    GLU  21           HN       GLU  21  20.611  15.753  15.753
  165    HA   GLU  21           HA       GLU  21  19.266  15.939  15.939
  166   1HB   GLU  21           HB2      GLU  21  19.560  13.488  13.488
  167   2HB   GLU  21           HB3      GLU  21  21.070  14.286  14.286
  168   1HG   GLU  21           HG2      GLU  21  21.217  13.092  13.092
  169   2HG   GLU  21           HG3      GLU  21  19.721  13.806  13.806
  170    HE2  GLU  21           HE2      GLU  21  19.012  10.730  10.730
  171    H    GLY  22           HN       GLY  22  17.091  15.563  15.563
  172   1HA   GLY  22           HA1      GLY  22  15.263  14.034  14.034
  173   2HA   GLY  22           HA2      GLY  22  15.415  15.188  15.188
  174    H    HIS  23           HN       HIS  23  15.952  17.579  17.579
  175    HA   HIS  23           HA       HIS  23  13.497  17.793  17.793
  176   1HB   HIS  23           HB2      HIS  23  13.060  19.979  19.979
  177   2HB   HIS  23           HB3      HIS  23  13.060  18.723  18.723
  178    HD1  HIS  23           HD1      HIS  23  14.984  18.748  18.748
  179    HD2  HIS  23           HD2      HIS  23  15.140  21.889  21.889
  180    HE1  HIS  23           HE1      HIS  23  16.657  20.437  20.437
  181    H    ILE  24           HN       ILE  24  13.552  19.843  19.843
  182    HA   ILE  24           HA       ILE  24  16.197  19.925  19.925
  183    HB   ILE  24           HB       ILE  24  15.156  20.615  20.615
  184   1HG1  ILE  24           HG1      ILE  24  12.695  21.345  21.345
  185   2HG1  ILE  24           HG1      ILE  24  13.857  22.474  22.474
  186   1HG2  ILE  24           HG2      ILE  24  14.199  18.344  18.344
  187   2HG2  ILE  24           HG2      ILE  24  12.791  19.080  19.080
  188   3HG2  ILE  24           HG2      ILE  24  14.227  18.639  18.639
  189   1HD1  ILE  24           HD1      ILE  24  12.183  20.512  20.512
  190   2HD1  ILE  24           HD1      ILE  24  11.860  22.254  22.254
  191   3HD1  ILE  24           HD1      ILE  24  13.332  21.700  21.700
  192    H    ALA  25           HN       ALA  25  17.080  22.052  22.052
  193    HA   ALA  25           HA       ALA  25  17.256  23.812  23.812
  194   1HB   ALA  25           HB1      ALA  25  17.975  24.055  24.055
  195   2HB   ALA  25           HB2      ALA  25  18.416  25.270  25.270
  196   3HB   ALA  25           HB3      ALA  25  19.047  23.610  23.610
  197    H    LYS  26           HN       LYS  26  15.222  23.788  23.788
  198    HA   LYS  26           HA       LYS  26  14.245  26.385  26.385
  199   1HB   LYS  26           HB2      LYS  26  14.084  24.597  24.597
  200   2HB   LYS  26           HB3      LYS  26  12.596  24.131  24.131
  201   1HG   LYS  26           HG2      LYS  26  13.054  27.070  27.070
  202   2HG   LYS  26           HG3      LYS  26  12.662  26.067  26.067
  203   1HD   LYS  26           HD2      LYS  26  10.476  26.099  26.099
  204   2HD   LYS  26           HD3      LYS  26  10.866  25.298  25.298
  205   1HE   LYS  26           HE2      LYS  26  11.593  27.719  27.719
  206   2HE   LYS  26           HE3      LYS  26  10.621  28.271  28.271
  207   1HZ   LYS  26           HZ1      LYS  26   9.471  27.935  27.935
  208   2HZ   LYS  26           HZ2      LYS  26   8.694  27.363  27.363
  209    H    ASN  27           HN       ASN  27  13.728  23.530  23.530
  210    HA   ASN  27           HA       ASN  27  11.478  24.899  24.899
  211   1HB   ASN  27           HB2      ASN  27  11.346  22.420  22.420
  212   2HB   ASN  27           HB3      ASN  27  11.900  21.950  21.950
  213   1HD2  ASN  27           HD2      ASN  27   8.415  21.731  21.731
  214   2HD2  ASN  27           HD2      ASN  27   9.825  20.870  20.870
  215    H    CYS  28           HN       CYS  28  14.271  25.438  25.438
  216    HA   CYS  28           HA       CYS  28  15.012  23.843  23.843
  217   1HB   CYS  28           HB2      CYS  28  16.724  24.708  24.708
  218   2HB   CYS  28           HB3      CYS  28  16.272  26.355  26.355
  219    H    ARG  29           HN       ARG  29  13.994  24.164  24.164
  220    HA   ARG  29           HA       ARG  29  12.583  26.574  26.574
  221   1HB   ARG  29           HB2      ARG  29  11.965  25.516  25.516
  222   2HB   ARG  29           HB3      ARG  29  11.739  24.396  24.396
  223   1HG   ARG  29           HG2      ARG  29  13.801  23.221  23.221
  224   2HG   ARG  29           HG3      ARG  29  14.307  24.466  24.466
  225   1HD   ARG  29           HD2      ARG  29  12.885  23.728  23.728
  226   2HD   ARG  29           HD3      ARG  29  11.652  23.187  23.187
  227    HE   ARG  29           HE       ARG  29  14.003  21.646  21.646
  228   1HH1  ARG  29           HH2      ARG  29  11.314  21.854  21.854
  229   2HH1  ARG  29           HH2      ARG  29  11.353  20.166  20.166
  230    HH2  ARG  29           HH1      ARG  29  12.972  18.754  18.754
  231    H    ALA  30           HN       ALA  30  15.828  25.895  25.895
  232    HA   ALA  30           HA       ALA  30  16.267  27.736  27.736
  233   1HB   ALA  30           HB2      ALA  30  16.969  25.241  25.241
  234   2HB   ALA  30           HB3      ALA  30  18.263  25.650  25.650
  235   3HB   ALA  30           HB1      ALA  30  18.160  26.499  26.499
  236    HA   PRO  31           HA       PRO  31  17.806  29.815  29.815
  237   1HB   PRO  31           HB2      PRO  31  17.167  32.349  32.349
  238   2HB   PRO  31           HB3      PRO  31  16.087  31.340  31.340
  239   1HG   PRO  31           HG2      PRO  31  15.951  32.024  32.024
  240   2HG   PRO  31           HG3      PRO  31  14.690  31.390  31.390
  241   1HD   PRO  31           HD2      PRO  31  16.207  29.927  29.927
  242   2HD   PRO  31           HD3      PRO  31  15.027  29.272  29.272
  243    H    ARG  32           HN       ARG  32  19.240  31.989  31.989
  244    HA   ARG  32           HA       ARG  32  21.602  31.244  31.244
  245   1HB   ARG  32           HB2      ARG  32  20.500  33.852  33.852
  246   2HB   ARG  32           HB3      ARG  32  22.066  33.888  33.888
  247   1HG   ARG  32           HG2      ARG  32  23.081  32.542  32.542
  248   2HG   ARG  32           HG3      ARG  32  21.584  31.739  31.739
  249   1HD   ARG  32           HD2      ARG  32  22.008  33.170  33.170
  250   2HD   ARG  32           HD3      ARG  32  20.798  34.037  34.037
  251    HE   ARG  32           HE       ARG  32  23.600  34.682  34.682
  252   1HH1  ARG  32           HH2      ARG  32  21.251  37.208  37.208
  253   2HH1  ARG  32           HH2      ARG  32  20.734  35.574  35.574
  254    HH2  ARG  32           HH1      ARG  32  23.341  37.930  37.930
  255    H    LYS  33           HN       LYS  33  22.732  31.701  31.701
  256    HA   LYS  33           HA       LYS  33  21.088  32.918  32.918
  257   1HB   LYS  33           HB2      LYS  33  23.356  30.935  30.935
  258   2HB   LYS  33           HB3      LYS  33  22.961  31.836  31.836
  259   1HG   LYS  33           HG2      LYS  33  21.057  30.630  30.630
  260   2HG   LYS  33           HG3      LYS  33  20.554  30.739  30.739
  261   1HD   LYS  33           HD2      LYS  33  22.834  28.901  28.901
  262   2HD   LYS  33           HD3      LYS  33  21.167  28.383  28.383
  263   1HE   LYS  33           HE2      LYS  33  21.820  29.601  29.601
  264   2HE   LYS  33           HE3      LYS  33  22.685  28.116  28.116
  265   1HZ   LYS  33           HZ1      LYS  33  20.702  27.343  27.343
  266   2HZ   LYS  33           HZ2      LYS  33  20.327  27.279  27.279
  267    H    LYS  34           HN       LYS  34  24.582  32.819  32.819
  268    HA   LYS  34           HA       LYS  34  26.154  34.367  34.367
  269   1HB   LYS  34           HB2      LYS  34  23.815  36.266  36.266
  270   2HB   LYS  34           HB3      LYS  34  25.499  36.716  36.716
  271   1HG   LYS  34           HG2      LYS  34  24.255  34.420  34.420
  272   2HG   LYS  34           HG3      LYS  34  24.218  36.073  36.073
  273   1HD   LYS  34           HD2      LYS  34  26.911  35.231  35.231
  274   2HD   LYS  34           HD3      LYS  34  26.293  34.247  34.247
  275   1HE   LYS  34           HE2      LYS  34  27.354  36.020  36.020
  276   2HE   LYS  34           HE3      LYS  34  25.674  36.516  36.516
  277   1HZ   LYS  34           HZ1      LYS  34  26.607  38.403  38.403
  278   2HZ   LYS  34           HZ2      LYS  34  26.458  37.625  37.625
  279    H    GLY  35           HN       GLY  35  24.295  36.949  36.949
  280   1HA   GLY  35           HA1      GLY  35  24.847  36.179  36.179
  281   2HA   GLY  35           HA2      GLY  35  25.858  37.470  37.470
  282    H    CYS  36           HN       CYS  36  25.117  39.494  39.494
  283    HA   CYS  36           HA       CYS  36  22.757  40.066  40.066
  284   1HB   CYS  36           HB2      CYS  36  24.665  41.600  41.600
  285   2HB   CYS  36           HB3      CYS  36  24.326  41.855  41.855
  286    H    TRP  37           HN       TRP  37  20.645  39.905  39.905
  287    HA   TRP  37           HA       TRP  37  20.152  39.560  39.560
  288   1HB   TRP  37           HB2      TRP  37  19.229  38.071  38.071
  289   2HB   TRP  37           HB3      TRP  37  18.142  39.394  39.394
  290    HD1  TRP  37           HD1      TRP  37  15.824  38.901  38.901
  291    HE1  TRP  37           HE1      TRP  37  14.844  37.892  37.892
  292    HE3  TRP  37           HE3      TRP  37  20.324  37.783  37.783
  293    HZ2  TRP  37           HZ2      TRP  37  16.035  36.765  36.765
  294    HZ3  TRP  37           HZ3      TRP  37  20.327  36.730  36.730
  295    HH2  TRP  37           HH2      TRP  37  18.280  36.221  36.221
  296    H    LYS  38           HN       LYS  38  20.863  42.170  42.170
  297    HA   LYS  38           HA       LYS  38  18.510  43.725  43.725
  298   1HB   LYS  38           HB2      LYS  38  19.506  43.743  43.743
  299   2HB   LYS  38           HB3      LYS  38  20.797  44.709  44.709
  300   1HG   LYS  38           HG2      LYS  38  19.010  46.282  46.282
  301   2HG   LYS  38           HG3      LYS  38  17.817  45.371  45.371
  302   1HD   LYS  38           HD2      LYS  38  18.686  46.054  46.054
  303   2HD   LYS  38           HD3      LYS  38  20.258  46.450  46.450
  304   1HE   LYS  38           HE2      LYS  38  19.085  48.536  48.536
  305   2HE   LYS  38           HE3      LYS  38  19.216  48.370  48.370
  306   1HZ   LYS  38           HZ1      LYS  38  16.816  47.950  47.950
  307   2HZ   LYS  38           HZ2      LYS  38  16.978  48.913  48.913
  308    H    CYS  39           HN       CYS  39  22.097  43.498  43.498
  309    HA   CYS  39           HA       CYS  39  21.876  45.412  45.412
  310   1HB   CYS  39           HB2      CYS  39  24.384  45.590  45.590
  311   2HB   CYS  39           HB3      CYS  39  23.389  46.297  46.297
  312    H    GLY  40           HN       GLY  40  22.779  42.141  42.141
  313   1HA   GLY  40           HA1      GLY  40  22.686  40.313  40.313
  314   2HA   GLY  40           HA2      GLY  40  23.090  41.357  41.357
  315    H    LYS  41           HN       LYS  41  24.943  42.096  42.096
  316    HA   LYS  41           HA       LYS  41  27.315  41.138  41.138
  317   1HB   LYS  41           HB2      LYS  41  26.651  42.817  42.817
  318   2HB   LYS  41           HB3      LYS  41  28.225  42.050  42.050
  319   1HG   LYS  41           HG2      LYS  41  28.375  44.270  44.270
  320   2HG   LYS  41           HG3      LYS  41  28.644  43.043  43.043
  321   1HD   LYS  41           HD2      LYS  41  26.777  43.638  43.638
  322   2HD   LYS  41           HD3      LYS  41  25.786  43.714  43.714
  323   1HE   LYS  41           HE2      LYS  41  27.778  45.888  45.888
  324   2HE   LYS  41           HE3      LYS  41  26.071  45.939  45.939
  325   1HZ   LYS  41           HZ1      LYS  41  25.787  46.853  46.853
  326   2HZ   LYS  41           HZ2      LYS  41  26.162  45.425  45.425
  327    H    GLU  42           HN       GLU  42  28.020  39.082  39.082
  328    HA   GLU  42           HA       GLU  42  26.897  37.333  37.333
  329   1HB   GLU  42           HB2      GLU  42  28.253  35.613  35.613
  330   2HB   GLU  42           HB3      GLU  42  27.496  36.624  36.624
  331   1HG   GLU  42           HG2      GLU  42  29.818  38.012  38.012
  332   2HG   GLU  42           HG3      GLU  42  30.391  36.419  36.419
  333    HE1  GLU  42           HE2      GLU  42  30.292  34.784  34.784
  334    H    GLY  43           HN       GLY  43  27.547  38.413  38.413
  335   1HA   GLY  43           HA1      GLY  43  29.847  37.290  37.290
  336   2HA   GLY  43           HA2      GLY  43  30.209  38.941  38.941
  337    H    HIS  44           HN       HIS  44  28.384  40.616  40.616
  338    HA   HIS  44           HA       HIS  44  27.893  40.173  40.173
  339   1HB   HIS  44           HB2      HIS  44  27.615  42.491  42.491
  340   2HB   HIS  44           HB3      HIS  44  28.916  42.279  42.279
  341    HD1  HIS  44           HD1      HIS  44  28.671  43.479  43.479
  342    HD2  HIS  44           HD2      HIS  44  25.013  43.061  43.061
  343    HE1  HIS  44           HE1      HIS  44  26.957  44.798  44.798
  344    H    GLN  45           HN       GLN  45  25.663  41.168  41.168
  345    HA   GLN  45           HA       GLN  45  23.598  40.238  40.238
  346   1HB   GLN  45           HB2      GLN  45  22.419  39.511  39.511
  347   2HB   GLN  45           HB3      GLN  45  23.562  38.443  38.443
  348   1HG   GLN  45           HG2      GLN  45  25.294  38.926  38.926
  349   2HG   GLN  45           HG3      GLN  45  24.579  40.451  40.451
  350   1HE2  GLN  45           HE2      GLN  45  23.913  37.119  37.119
  351   2HE2  GLN  45           HE2      GLN  45  25.146  37.358  37.358
  352    H    MET  46           HN       MET  46  21.298  40.943  40.943
  353    HA   MET  46           HA       MET  46  21.244  43.675  43.675
  354   1HB   MET  46           HB2      MET  46  19.331  41.931  41.931
  355   2HB   MET  46           HB3      MET  46  19.263  41.942  41.942
  356   1HG   MET  46           HG2      MET  46  19.221  44.657  44.657
  357   2HG   MET  46           HG3      MET  46  17.847  43.664  43.664
  358   1HE   MET  46           HE2      MET  46  16.366  42.486  42.486
  359   2HE   MET  46           HE3      MET  46  17.384  41.794  41.794
  360   3HE   MET  46           HE1      MET  46  16.031  42.872  42.872
  361    H    LYS  47           HN       LYS  47  21.526  41.553  41.553
  362    HA   LYS  47           HA       LYS  47  21.140  43.605  43.605
  363   1HB   LYS  47           HB2      LYS  47  20.899  41.130  41.130
  364   2HB   LYS  47           HB3      LYS  47  22.646  40.998  40.998
  365   1HG   LYS  47           HG2      LYS  47  22.914  42.317  42.317
  366   2HG   LYS  47           HG3      LYS  47  21.303  42.996  42.996
  367   1HD   LYS  47           HD2      LYS  47  20.586  40.404  40.404
  368   2HD   LYS  47           HD3      LYS  47  22.152  40.280  40.280
  369   1HE   LYS  47           HE2      LYS  47  21.555  41.851  41.851
  370   2HE   LYS  47           HE3      LYS  47  20.175  42.445  42.445
  371   1HZ   LYS  47           HZ1      LYS  47  20.388  39.690  39.690
  372   2HZ   LYS  47           HZ2      LYS  47  19.521  40.891  40.891
  373    H    ASP  48           HN       ASP  48  23.730  42.835  42.835
  374    HA   ASP  48           HA       ASP  48  25.455  44.583  44.583
  375   1HB   ASP  48           HB2      ASP  48  26.050  42.014  42.014
  376   2HB   ASP  48           HB3      ASP  48  26.571  42.721  42.721
  377    HD2  ASP  48           HD2      ASP  48  28.753  42.637  42.637
  378    H    CYS  49           HN       CYS  49  23.315  44.896  44.896
  379    HA   CYS  49           HA       CYS  49  24.965  45.807  45.807
  380   1HB   CYS  49           HB2      CYS  49  22.876  44.563  44.563
  381   2HB   CYS  49           HB3      CYS  49  21.945  45.827  45.827
  382    H    THR  50           HN       THR  50  25.936  47.792  47.792
  383    HA   THR  50           HA       THR  50  24.741  49.735  49.735
  384    HB   THR  50           HB       THR  50  27.246  49.174  49.174
  385    HG1  THR  50           HG1      THR  50  26.159  51.846  51.846
  386   1HG2  THR  50           HG2      THR  50  26.804  49.651  49.651
  387   2HG2  THR  50           HG2      THR  50  27.492  51.191  51.191
  388   3HG2  THR  50           HG2      THR  50  28.395  49.674  49.674
  389    H    GLU  51           HN       GLU  51  23.856  48.767  48.767
  390    HA   GLU  51           HA       GLU  51  23.871  51.046  51.046
  391   1HB   GLU  51           HB2      GLU  51  23.239  48.731  48.731
  392   2HB   GLU  51           HB3      GLU  51  21.709  48.896  48.896
  393   1HG   GLU  51           HG2      GLU  51  20.982  49.675  49.675
  394   2HG   GLU  51           HG3      GLU  51  21.639  51.194  51.194
  395    HE1  GLU  51           HE2      GLU  51  24.111  48.957  48.957
  396    H    ARG  52           HN       ARG  52  21.091  49.765  49.765
  397    HA   ARG  52           HA       ARG  52  20.444  52.523  52.523
  398   1HB   ARG  52           HB2      ARG  52  18.679  50.494  50.494
  399   2HB   ARG  52           HB3      ARG  52  17.919  51.618  51.618
  400   1HG   ARG  52           HG2      ARG  52  18.084  53.329  53.329
  401   2HG   ARG  52           HG3      ARG  52  19.795  53.040  53.040
  402   1HD   ARG  52           HD2      ARG  52  19.041  52.538  52.538
  403   2HD   ARG  52           HD3      ARG  52  18.893  50.944  50.944
  404    HE   ARG  52           HE       ARG  52  16.566  51.120  51.120
  405   1HH1  ARG  52           HH2      ARG  52  17.964  54.365  54.365
  406   2HH1  ARG  52           HH2      ARG  52  16.452  55.121  55.121
  407    HH2  ARG  52           HH1      ARG  52  14.471  53.779  53.779
  408    H    GLN  53           HN       GLN  53  18.733  52.621  52.621
  409    HA   GLN  53           HA       GLN  53  18.111  52.109  52.109
  410   1HB   GLN  53           HB2      GLN  53  18.256  49.326  49.326
  411   2HB   GLN  53           HB3      GLN  53  17.899  49.524  49.524
  412   1HG   GLN  53           HG2      GLN  53  15.770  50.195  50.195
  413   2HG   GLN  53           HG3      GLN  53  16.309  51.395  51.395
  414   1HE2  GLN  53           HE2      GLN  53  14.752  49.615  49.615
  415   2HE2  GLN  53           HE2      GLN  53  14.931  51.078  51.078
  416    H    ALA  54           HN       ALA  54  20.348  53.109  53.109
  417    HA   ALA  54           HA       ALA  54  22.103  51.104  51.104
  418   1HB   ALA  54           HB3      ALA  54  22.560  53.556  53.556
  419   2HB   ALA  54           HB1      ALA  54  23.631  53.351  53.351
  420   3HB   ALA  54           HB2      ALA  54  23.551  52.086  52.086
  421    H    ASN  55           HN       ASN  55  21.961  51.028  51.028
  422    HA   ASN  55           HA       ASN  55  20.434  52.728  52.728
  423   1HB   ASN  55           HB2      ASN  55  22.184  50.500  50.500
  424   2HB   ASN  55           HB3      ASN  55  22.661  51.744  51.744
  425   1HD2  ASN  55           HD2      ASN  55  19.030  49.824  49.824
  426   2HD2  ASN  55           HD2      ASN  55  20.078  49.685  49.685

  Start of MODEL   16
    1    H    MET   1           HN       MET   1   1.884   0.000   0.000
    2    HA   MET   1           HA       MET   1   2.927  -0.656  -0.656
    3   1HB   MET   1           HB2      MET   1   0.754  -1.484  -1.484
    4   2HB   MET   1           HB3      MET   1   0.355   0.161   0.161
    5   1HG   MET   1           HG2      MET   1   1.317  -0.617  -0.617
    6   2HG   MET   1           HG3      MET   1   2.710   0.120   0.120
    7   1HE   MET   1           HE2      MET   1   4.273  -0.934  -0.934
    8   2HE   MET   1           HE3      MET   1   4.879  -2.597  -2.597
    9   3HE   MET   1           HE1      MET   1   3.538  -2.261  -2.261
   10    H    GLN   2           HN       GLN   2   0.641   2.146   2.146
   11    HA   GLN   2           HA       GLN   2   2.890   3.905   3.905
   12   1HB   GLN   2           HB2      GLN   2   2.086   2.936   2.936
   13   2HB   GLN   2           HB3      GLN   2   1.203   4.445   4.445
   14   1HG   GLN   2           HG2      GLN   2   3.665   5.258   5.258
   15   2HG   GLN   2           HG3      GLN   2   4.150   3.978   3.978
   16   1HE2  GLN   2           HE2      GLN   2   2.643   7.544   7.544
   17   2HE2  GLN   2           HE2      GLN   2   2.734   7.109   7.109
   18    H    LYS   3           HN       LYS   3   1.376   4.118   4.118
   19    HA   LYS   3           HA       LYS   3  -0.016   6.530   6.530
   20   1HB   LYS   3           HB2      LYS   3  -2.309   5.797   5.797
   21   2HB   LYS   3           HB3      LYS   3  -1.727   5.210   5.210
   22   1HG   LYS   3           HG2      LYS   3  -1.322   3.426   3.426
   23   2HG   LYS   3           HG3      LYS   3  -2.958   3.595   3.595
   24   1HD   LYS   3           HD2      LYS   3  -1.091   3.209   3.209
   25   2HD   LYS   3           HD3      LYS   3  -0.906   1.926   1.926
   26   1HE   LYS   3           HE2      LYS   3  -2.616   1.181   1.181
   27   2HE   LYS   3           HE3      LYS   3  -3.451   1.636   1.636
   28   1HZ   LYS   3           HZ1      LYS   3  -3.204   3.885   3.885
   29   2HZ   LYS   3           HZ2      LYS   3  -3.914   2.661   2.661
   30    H    GLY   4           HN       GLY   4  -0.121   7.500   7.500
   31   1HA   GLY   4           HA1      GLY   4   1.321   6.451   6.451
   32   2HA   GLY   4           HA2      GLY   4   0.173   7.771   7.771
   33    H    ASN   5           HN       ASN   5   0.755   4.367   4.367
   34    HA   ASN   5           HA       ASN   5  -1.536   4.316   4.316
   35   1HB   ASN   5           HB2      ASN   5  -1.958   3.438   3.438
   36   2HB   ASN   5           HB3      ASN   5  -1.575   1.943   1.943
   37   1HD2  ASN   5           HD2      ASN   5  -4.461   1.796   1.796
   38   2HD2  ASN   5           HD2      ASN   5  -2.834   1.252   1.252
   39    H    PHE   6           HN       PHE   6  -1.502   2.256   2.256
   40    HA   PHE   6           HA       PHE   6   1.056   0.841   0.841
   41   1HB   PHE   6           HB2      PHE   6   0.536   2.786   2.786
   42   2HB   PHE   6           HB3      PHE   6  -0.259   1.450   1.450
   43    HD1  PHE   6           HD1      PHE   6   1.427  -0.823  -0.823
   44    HD2  PHE   6           HD2      PHE   6   2.555   3.223   3.223
   45    HE1  PHE   6           HE1      PHE   6   3.635  -1.576  -1.576
   46    HE2  PHE   6           HE2      PHE   6   4.763   2.470   2.470
   47   1HZ   PHE   6           HZ       PHE   6   5.277   0.079   0.079
   48    H    ARG   7           HN       ARG   7  -0.875  -0.449  -0.449
   49    HA   ARG   7           HA       ARG   7  -2.877  -1.650  -1.650
   50   1HB   ARG   7           HB2      ARG   7  -0.849  -2.731  -2.731
   51   2HB   ARG   7           HB3      ARG   7  -2.147  -3.767  -3.767
   52   1HG   ARG   7           HG2      ARG   7  -3.632  -1.586  -1.586
   53   2HG   ARG   7           HG3      ARG   7  -2.291  -1.281  -1.281
   54   1HD   ARG   7           HD2      ARG   7  -3.580  -2.614  -2.614
   55   2HD   ARG   7           HD3      ARG   7  -2.641  -3.874  -3.874
   56    HE   ARG   7           HE       ARG   7  -4.799  -3.587  -3.587
   57   1HH1  ARG   7           HH2      ARG   7  -4.524  -4.135  -4.135
   58   2HH1  ARG   7           HH2      ARG   7  -6.021  -5.001  -5.001
   59    HH2  ARG   7           HH1      ARG   7  -7.326  -5.338  -5.338
   60    H    ASN   8           HN       ASN   8  -3.244  -3.350  -3.350
   61    HA   ASN   8           HA       ASN   8  -2.838  -4.851  -4.851
   62   1HB   ASN   8           HB2      ASN   8   0.045  -5.047  -5.047
   63   2HB   ASN   8           HB3      ASN   8  -0.802  -6.244  -6.244
   64   1HD2  ASN   8           HD2      ASN   8  -0.808  -7.374  -7.374
   65   2HD2  ASN   8           HD2      ASN   8   0.360  -7.001  -7.001
   66    H    GLN   9           HN       GLN   9  -2.627  -4.202  -4.202
   67    HA   GLN   9           HA       GLN   9  -1.883  -3.252  -3.252
   68   1HB   GLN   9           HB2      GLN   9   0.684  -3.751  -3.751
   69   2HB   GLN   9           HB3      GLN   9   0.764  -2.661  -2.661
   70   1HG   GLN   9           HG2      GLN   9  -0.545  -5.412  -5.412
   71   2HG   GLN   9           HG3      GLN   9   1.150  -5.149  -5.149
   72   1HE2  GLN   9           HE2      GLN   9  -1.546  -4.683  -4.683
   73   2HE2  GLN   9           HE2      GLN   9  -1.689  -5.604  -5.604
   74    H    ARG  10           HN       ARG  10  -3.212  -1.373  -1.373
   75    HA   ARG  10           HA       ARG  10  -1.863   0.821   0.821
   76   1HB   ARG  10           HB2      ARG  10  -4.686   0.084   0.084
   77   2HB   ARG  10           HB3      ARG  10  -4.341   1.793   1.793
   78   1HG   ARG  10           HG2      ARG  10  -4.657   1.931   1.931
   79   2HG   ARG  10           HG3      ARG  10  -3.063   1.217   1.217
   80   1HD   ARG  10           HD2      ARG  10  -4.422  -0.201  -0.201
   81   2HD   ARG  10           HD3      ARG  10  -4.267  -1.090  -1.090
   82    HE   ARG  10           HE       ARG  10  -6.555  -0.785  -0.785
   83   1HH1  ARG  10           HH2      ARG  10  -5.506   1.528   1.528
   84   2HH1  ARG  10           HH2      ARG  10  -7.113   2.068   2.068
   85    HH2  ARG  10           HH1      ARG  10  -8.961   1.114   1.114
   86    H    LYS  11           HN       LYS  11  -1.431   2.844   2.844
   87    HA   LYS  11           HA       LYS  11  -1.990   2.914   2.914
   88   1HB   LYS  11           HB2      LYS  11   0.572   2.306   2.306
   89   2HB   LYS  11           HB3      LYS  11   0.659   3.922   3.922
   90   1HG   LYS  11           HG2      LYS  11   0.984   2.850   2.850
   91   2HG   LYS  11           HG3      LYS  11  -0.756   2.643   2.643
   92   1HD   LYS  11           HD2      LYS  11  -0.631   0.392   0.392
   93   2HD   LYS  11           HD3      LYS  11   0.749   0.590   0.590
   94   1HE   LYS  11           HE2      LYS  11   2.306   0.492   0.492
   95   2HE   LYS  11           HE3      LYS  11   1.147   1.039   1.039
   96   1HZ   LYS  11           HZ1      LYS  11   1.790  -1.595  -1.595
   97   2HZ   LYS  11           HZ2      LYS  11   0.632  -1.090  -1.090
   98    H    THR  12           HN       THR  12  -0.368   4.708   4.708
   99    HA   THR  12           HA       THR  12  -1.498   7.179   7.179
  100    HB   THR  12           HB       THR  12   0.857   7.238   7.238
  101    HG1  THR  12           HG1      THR  12  -0.213   9.111   9.111
  102   1HG2  THR  12           HG2      THR  12  -0.113   6.038   6.038
  103   2HG2  THR  12           HG2      THR  12   1.466   6.841   6.841
  104   3HG2  THR  12           HG2      THR  12   1.112   5.367   5.367
  105    H    VAL  13           HN       VAL  13  -3.744   6.388   6.388
  106    HA   VAL  13           HA       VAL  13  -4.430   6.438   6.438
  107    HB   VAL  13           HB       VAL  13  -6.560   5.578   5.578
  108   1HG1  VAL  13           HG1      VAL  13  -4.681   3.989   3.989
  109   2HG1  VAL  13           HG1      VAL  13  -4.338   4.147   4.147
  110   3HG1  VAL  13           HG1      VAL  13  -5.879   3.440   3.440
  111   1HG2  VAL  13           HG2      VAL  13  -6.801   6.903   6.903
  112   2HG2  VAL  13           HG2      VAL  13  -7.143   5.175   5.175
  113   3HG2  VAL  13           HG2      VAL  13  -5.590   5.864   5.864
  114    H    LYS  14           HN       LYS  14  -6.222   7.830   7.830
  115    HA   LYS  14           HA       LYS  14  -6.588  10.186  10.186
  116   1HB   LYS  14           HB2      LYS  14  -6.312  11.625  11.625
  117   2HB   LYS  14           HB3      LYS  14  -4.839  10.798  10.798
  118   1HG   LYS  14           HG2      LYS  14  -4.733   9.663   9.663
  119   2HG   LYS  14           HG3      LYS  14  -6.412   9.171   9.171
  120   1HD   LYS  14           HD2      LYS  14  -7.195  11.147  11.147
  121   2HD   LYS  14           HD3      LYS  14  -5.725  12.035  12.035
  122   1HE   LYS  14           HE2      LYS  14  -4.868   9.800   9.800
  123   2HE   LYS  14           HE3      LYS  14  -6.351  10.322  10.322
  124   1HZ   LYS  14           HZ1      LYS  14  -4.337  11.504  11.504
  125   2HZ   LYS  14           HZ2      LYS  14  -5.446  12.537  12.537
  126    H    CYS  15           HN       CYS  15  -8.712  10.089  10.089
  127    HA   CYS  15           HA       CYS  15 -10.625   8.696   8.696
  128   1HB   CYS  15           HB2      CYS  15 -10.916   9.467   9.467
  129   2HB   CYS  15           HB3      CYS  15 -10.926  11.140  11.140
  130    H    PHE  16           HN       PHE  16 -11.201   8.971   8.971
  131    HA   PHE  16           HA       PHE  16 -10.892  11.570  11.570
  132   1HB   PHE  16           HB2      PHE  16 -10.671   8.881   8.881
  133   2HB   PHE  16           HB3      PHE  16 -12.247   9.294   9.294
  134    HD1  PHE  16           HD2      PHE  16  -8.978  11.103  11.103
  135    HD2  PHE  16           HD1      PHE  16 -12.144   9.721   9.721
  136    HE1  PHE  16           HE2      PHE  16  -7.883  12.158  12.158
  137    HE2  PHE  16           HE1      PHE  16 -11.049  10.775  10.775
  138   1HZ   PHE  16           HZ       PHE  16  -8.932  11.981  11.981
  139    H    ASN  17           HN       ASN  17 -13.103  10.689  10.689
  140    HA   ASN  17           HA       ASN  17 -15.392  11.350  11.350
  141   1HB   ASN  17           HB2      ASN  17 -15.420   9.327   9.327
  142   2HB   ASN  17           HB3      ASN  17 -15.349  10.457  10.457
  143   1HD2  ASN  17           HD2      ASN  17 -18.892   9.558   9.558
  144   2HD2  ASN  17           HD2      ASN  17 -17.412   8.759   8.759
  145    H    CYS  18           HN       CYS  18 -13.505  12.256  12.256
  146    HA   CYS  18           HA       CYS  18 -15.027  14.755  14.755
  147   1HB   CYS  18           HB2      CYS  18 -14.239  14.941  14.941
  148   2HB   CYS  18           HB3      CYS  18 -15.271  13.554  13.554
  149    H    GLY  19           HN       GLY  19 -11.805  13.156  13.156
  150   1HA   GLY  19           HA1      GLY  19 -10.031  14.108  14.108
  151   2HA   GLY  19           HA2      GLY  19 -10.629  15.712  15.712
  152    H    LYS  20           HN       LYS  20 -10.578  13.183  13.183
  153    HA   LYS  20           HA       LYS  20  -8.498  14.728  14.728
  154   1HB   LYS  20           HB2      LYS  20 -10.770  12.998  12.998
  155   2HB   LYS  20           HB3      LYS  20  -9.408  13.362  13.362
  156   1HG   LYS  20           HG2      LYS  20 -10.086  15.857  15.857
  157   2HG   LYS  20           HG3      LYS  20 -11.635  15.097  15.097
  158   1HD   LYS  20           HD2      LYS  20 -10.052  14.551  14.551
  159   2HD   LYS  20           HD3      LYS  20  -9.733  16.228  16.228
  160   1HE   LYS  20           HE2      LYS  20 -12.583  15.171  15.171
  161   2HE   LYS  20           HE3      LYS  20 -11.782  15.671  15.671
  162   1HZ   LYS  20           HZ1      LYS  20 -12.096  17.409  17.409
  163   2HZ   LYS  20           HZ2      LYS  20 -13.021  17.503  17.503
  164    H    GLU  21           HN       GLU  21  -6.538  13.829  13.829
  165    HA   GLU  21           HA       GLU  21  -6.014  11.296  11.296
  166   1HB   GLU  21           HB2      GLU  21  -3.651  11.796  11.796
  167   2HB   GLU  21           HB3      GLU  21  -4.416  13.154  13.154
  168   1HG   GLU  21           HG2      GLU  21  -3.784  14.468  14.468
  169   2HG   GLU  21           HG3      GLU  21  -4.902  13.587  13.587
  170    HE2  GLU  21           HE2      GLU  21  -3.267  13.792  13.792
  171    H    GLY  22           HN       GLY  22  -6.141   9.365   9.365
  172   1HA   GLY  22           HA1      GLY  22  -5.042   8.509   8.509
  173   2HA   GLY  22           HA2      GLY  22  -6.399   9.392   9.392
  174    H    HIS  23           HN       HIS  23  -8.505   8.946   8.946
  175    HA   HIS  23           HA       HIS  23  -8.706   6.022   6.022
  176   1HB   HIS  23           HB2      HIS  23 -11.021   6.235   6.235
  177   2HB   HIS  23           HB3      HIS  23 -10.113   7.215   7.215
  178    HD1  HIS  23           HD1      HIS  23 -10.196   9.875   9.875
  179    HD2  HIS  23           HD2      HIS  23 -12.903   7.605   7.605
  180    HE1  HIS  23           HE1      HIS  23 -11.940  11.514  11.514
  181    H    ILE  24           HN       ILE  24 -10.359   5.157   5.157
  182    HA   ILE  24           HA       ILE  24  -9.815   6.523   6.523
  183    HB   ILE  24           HB       ILE  24 -10.599   4.334   4.334
  184   1HG1  ILE  24           HG1      ILE  24 -10.307   3.317   3.317
  185   2HG1  ILE  24           HG1      ILE  24 -11.854   3.650   3.650
  186   1HG2  ILE  24           HG2      ILE  24  -8.172   4.344   4.344
  187   2HG2  ILE  24           HG2      ILE  24  -8.476   3.179   3.179
  188   3HG2  ILE  24           HG2      ILE  24  -8.249   4.904   4.904
  189   1HD1  ILE  24           HD1      ILE  24 -11.054   2.098   2.098
  190   2HD1  ILE  24           HD1      ILE  24  -9.787   1.572   1.572
  191   3HD1  ILE  24           HD1      ILE  24 -11.503   1.331   1.331
  192    H    ALA  25           HN       ALA  25 -11.642   6.453   6.453
  193    HA   ALA  25           HA       ALA  25 -13.811   7.876   7.876
  194   1HB   ALA  25           HB1      ALA  25 -13.191   6.449   6.449
  195   2HB   ALA  25           HB2      ALA  25 -14.760   7.250   7.250
  196   3HB   ALA  25           HB3      ALA  25 -13.255   8.197   8.197
  197    H    LYS  26           HN       LYS  26 -13.311   4.380   4.380
  198    HA   LYS  26           HA       LYS  26 -16.020   3.675   3.675
  199   1HB   LYS  26           HB2      LYS  26 -14.306   2.333   2.333
  200   2HB   LYS  26           HB3      LYS  26 -13.537   1.962   1.962
  201   1HG   LYS  26           HG2      LYS  26 -15.924   1.137   1.137
  202   2HG   LYS  26           HG3      LYS  26 -16.293   1.130   1.130
  203   1HD   LYS  26           HD2      LYS  26 -13.878  -0.184  -0.184
  204   2HD   LYS  26           HD3      LYS  26 -14.475  -0.659  -0.659
  205   1HE   LYS  26           HE2      LYS  26 -15.453  -2.325  -2.325
  206   2HE   LYS  26           HE3      LYS  26 -16.740  -1.137  -1.137
  207   1HZ   LYS  26           HZ1      LYS  26 -16.279  -1.841  -1.841
  208   2HZ   LYS  26           HZ2      LYS  26 -15.741  -0.308  -0.308
  209    H    ASN  27           HN       ASN  27 -13.505   4.685   4.685
  210    HA   ASN  27           HA       ASN  27 -14.990   3.514   3.514
  211   1HB   ASN  27           HB2      ASN  27 -12.361   3.208   3.208
  212   2HB   ASN  27           HB3      ASN  27 -12.259   4.808   4.808
  213   1HD2  ASN  27           HD2      ASN  27 -13.517   3.851   3.851
  214   2HD2  ASN  27           HD2      ASN  27 -13.609   5.102   5.102
  215    H    CYS  28           HN       CYS  28 -15.481   6.060   6.060
  216    HA   CYS  28           HA       CYS  28 -14.799   8.238   8.238
  217   1HB   CYS  28           HB2      CYS  28 -15.054   8.462   8.462
  218   2HB   CYS  28           HB3      CYS  28 -16.767   8.123   8.123
  219    H    ARG  29           HN       ARG  29 -15.791   8.536   8.536
  220    HA   ARG  29           HA       ARG  29 -18.247   7.252   7.252
  221   1HB   ARG  29           HB2      ARG  29 -16.324   9.011   9.011
  222   2HB   ARG  29           HB3      ARG  29 -17.945   8.837   8.837
  223   1HG   ARG  29           HG2      ARG  29 -17.709   6.376   6.376
  224   2HG   ARG  29           HG3      ARG  29 -16.137   6.484   6.484
  225   1HD   ARG  29           HD2      ARG  29 -15.436   6.357   6.357
  226   2HD   ARG  29           HD3      ARG  29 -15.613   8.096   8.096
  227    HE   ARG  29           HE       ARG  29 -18.045   6.636   6.636
  228   1HH1  ARG  29           HH2      ARG  29 -15.177   8.436   8.436
  229   2HH1  ARG  29           HH2      ARG  29 -15.823   8.798   8.798
  230    HH2  ARG  29           HH1      ARG  29 -18.011   8.011   8.011
  231    H    ALA  30           HN       ALA  30 -17.561   9.958   9.958
  232    HA   ALA  30           HA       ALA  30 -20.124  11.193  11.193
  233   1HB   ALA  30           HB2      ALA  30 -17.437  12.335  12.335
  234   2HB   ALA  30           HB3      ALA  30 -18.495  13.242  13.242
  235   3HB   ALA  30           HB1      ALA  30 -18.977  13.004  13.004
  236    HA   PRO  31           HA       PRO  31 -20.090  10.089  10.089
  237   1HB   PRO  31           HB2      PRO  31 -22.614   9.045   9.045
  238   2HB   PRO  31           HB3      PRO  31 -21.185   8.073   8.073
  239   1HG   PRO  31           HG2      PRO  31 -23.251   8.951   8.951
  240   2HG   PRO  31           HG3      PRO  31 -22.078   7.660   7.660
  241   1HD   PRO  31           HD2      PRO  31 -21.960  10.251  10.251
  242   2HD   PRO  31           HD3      PRO  31 -20.732   9.002   9.002
  243    H    ARG  32           HN       ARG  32 -20.305  11.622  11.622
  244    HA   ARG  32           HA       ARG  32 -21.058  13.402  13.402
  245   1HB   ARG  32           HB2      ARG  32 -23.680  12.262  12.262
  246   2HB   ARG  32           HB3      ARG  32 -23.671  13.764  13.764
  247   1HG   ARG  32           HG2      ARG  32 -22.431  12.579  12.579
  248   2HG   ARG  32           HG3      ARG  32 -22.588  11.079  11.079
  249   1HD   ARG  32           HD2      ARG  32 -25.085  12.701  12.701
  250   2HD   ARG  32           HD3      ARG  32 -24.393  11.773  11.773
  251    HE   ARG  32           HE       ARG  32 -24.950   9.761   9.761
  252   1HH1  ARG  32           HH2      ARG  32 -25.551  12.545  12.545
  253   2HH1  ARG  32           HH2      ARG  32 -26.446  11.627  11.627
  254    HH2  ARG  32           HH1      ARG  32 -26.774   9.279   9.279
  255    H    LYS  33           HN       LYS  33 -19.822  14.048  14.048
  256    HA   LYS  33           HA       LYS  33 -19.581  15.649  15.649
  257   1HB   LYS  33           HB2      LYS  33 -21.786  16.842  16.842
  258   2HB   LYS  33           HB3      LYS  33 -21.252  17.651  17.651
  259   1HG   LYS  33           HG2      LYS  33 -19.046  16.708  16.708
  260   2HG   LYS  33           HG3      LYS  33 -20.065  17.948  17.948
  261   1HD   LYS  33           HD2      LYS  33 -19.743  19.121  19.121
  262   2HD   LYS  33           HD3      LYS  33 -18.323  18.097  18.097
  263   1HE   LYS  33           HE2      LYS  33 -18.432  19.307  19.307
  264   2HE   LYS  33           HE3      LYS  33 -18.642  20.568  20.568
  265   1HZ   LYS  33           HZ1      LYS  33 -16.538  18.647  18.647
  266   2HZ   LYS  33           HZ2      LYS  33 -16.250  19.612  19.612
  267    H    LYS  34           HN       LYS  34 -23.192  15.792  15.792
  268    HA   LYS  34           HA       LYS  34 -23.222  14.881  14.881
  269   1HB   LYS  34           HB2      LYS  34 -24.719  16.982  16.982
  270   2HB   LYS  34           HB3      LYS  34 -25.633  16.054  16.054
  271   1HG   LYS  34           HG2      LYS  34 -23.171  16.631  16.631
  272   2HG   LYS  34           HG3      LYS  34 -23.600  18.112  18.112
  273   1HD   LYS  34           HD2      LYS  34 -25.981  17.787  17.787
  274   2HD   LYS  34           HD3      LYS  34 -25.242  16.594  16.594
  275   1HE   LYS  34           HE2      LYS  34 -25.057  18.541  18.541
  276   2HE   LYS  34           HE3      LYS  34 -23.484  18.488  18.488
  277   1HZ   LYS  34           HZ1      LYS  34 -24.623  19.934  19.934
  278   2HZ   LYS  34           HZ2      LYS  34 -25.764  20.232  20.232
  279    H    GLY  35           HN       GLY  35 -25.752  14.048  14.048
  280   1HA   GLY  35           HA1      GLY  35 -26.074  11.906  11.906
  281   2HA   GLY  35           HA2      GLY  35 -26.347  11.710  11.710
  282    H    CYS  36           HN       CYS  36 -28.456  11.747  11.747
  283    HA   CYS  36           HA       CYS  36 -30.563  12.113  12.113
  284   1HB   CYS  36           HB2      CYS  36 -30.674  11.224  11.224
  285   2HB   CYS  36           HB3      CYS  36 -30.420  12.829  12.829
  286    H    TRP  37           HN       TRP  37 -31.324  13.831  13.831
  287    HA   TRP  37           HA       TRP  37 -30.305  16.475  16.475
  288   1HB   TRP  37           HB2      TRP  37 -30.766  15.107  15.107
  289   2HB   TRP  37           HB3      TRP  37 -32.098  16.244  16.244
  290    HD1  TRP  37           HD1      TRP  37 -31.151  18.953  18.953
  291    HE1  TRP  37           HE1      TRP  37 -29.150  20.273  20.273
  292    HE3  TRP  37           HE3      TRP  37 -28.678  14.841  14.841
  293    HZ2  TRP  37           HZ2      TRP  37 -26.810  19.466  19.466
  294    HZ3  TRP  37           HZ3      TRP  37 -26.542  15.195  15.195
  295    HH2  TRP  37           HH2      TRP  37 -25.604  17.410  17.410
  296    H    LYS  38           HN       LYS  38 -32.520  14.720  14.720
  297    HA   LYS  38           HA       LYS  38 -34.678  16.693  16.693
  298   1HB   LYS  38           HB2      LYS  38 -35.060  14.174  14.174
  299   2HB   LYS  38           HB3      LYS  38 -34.865  13.984  13.984
  300   1HG   LYS  38           HG2      LYS  38 -37.213  14.272  14.272
  301   2HG   LYS  38           HG3      LYS  38 -36.654  15.827  15.827
  302   1HD   LYS  38           HD2      LYS  38 -38.145  16.217  16.217
  303   2HD   LYS  38           HD3      LYS  38 -36.518  16.642  16.642
  304   1HE   LYS  38           HE2      LYS  38 -37.148  13.793  13.793
  305   2HE   LYS  38           HE3      LYS  38 -38.230  14.880  14.880
  306   1HZ   LYS  38           HZ1      LYS  38 -35.786  14.226  14.226
  307   2HZ   LYS  38           HZ2      LYS  38 -36.547  15.599  15.599
  308    H    CYS  39           HN       CYS  39 -32.555  14.889  14.889
  309    HA   CYS  39           HA       CYS  39 -33.339  16.842  16.842
  310   1HB   CYS  39           HB2      CYS  39 -32.363  15.208  15.208
  311   2HB   CYS  39           HB3      CYS  39 -33.807  14.670  14.670
  312    H    GLY  40           HN       GLY  40 -30.788  15.577  15.577
  313   1HA   GLY  40           HA1      GLY  40 -28.849  16.713  16.713
  314   2HA   GLY  40           HA2      GLY  40 -28.991  17.677  17.677
  315    H    LYS  41           HN       LYS  41 -29.531  14.231  14.231
  316    HA   LYS  41           HA       LYS  41 -27.122  14.067  14.067
  317   1HB   LYS  41           HB2      LYS  41 -29.586  13.132  13.132
  318   2HB   LYS  41           HB3      LYS  41 -28.949  11.738  11.738
  319   1HG   LYS  41           HG2      LYS  41 -28.062  11.110  11.110
  320   2HG   LYS  41           HG3      LYS  41 -26.859  12.354  12.354
  321   1HD   LYS  41           HD2      LYS  41 -27.613  13.164  13.164
  322   2HD   LYS  41           HD3      LYS  41 -28.860  13.901  13.901
  323   1HE   LYS  41           HE2      LYS  41 -30.101  12.799  12.799
  324   2HE   LYS  41           HE3      LYS  41 -30.192  11.680  11.680
  325   1HZ   LYS  41           HZ1      LYS  41 -29.495  10.760  10.760
  326   2HZ   LYS  41           HZ2      LYS  41 -28.616  10.274  10.274
  327    H    GLU  42           HN       GLU  42 -25.203  13.474  13.474
  328    HA   GLU  42           HA       GLU  42 -25.112  12.431  12.431
  329   1HB   GLU  42           HB2      GLU  42 -22.659  12.476  12.476
  330   2HB   GLU  42           HB3      GLU  42 -23.392  13.986  13.986
  331   1HG   GLU  42           HG2      GLU  42 -23.498  12.724  12.724
  332   2HG   GLU  42           HG3      GLU  42 -22.174  11.807  11.807
  333    HE2  GLU  42           HE2      GLU  42 -22.239  13.888  13.888
  334    H    GLY  43           HN       GLY  43 -26.244  10.403  10.403
  335   1HA   GLY  43           HA1      GLY  43 -24.668   8.147   8.147
  336   2HA   GLY  43           HA2      GLY  43 -25.639   8.378   8.378
  337    H    HIS  44           HN       HIS  44 -28.094   8.998   8.998
  338    HA   HIS  44           HA       HIS  44 -28.965   6.898   6.898
  339   1HB   HIS  44           HB2      HIS  44 -31.036   6.966   6.966
  340   2HB   HIS  44           HB3      HIS  44 -29.793   7.069   7.069
  341    HD1  HIS  44           HD1      HIS  44 -29.683   9.208   9.208
  342    HD2  HIS  44           HD2      HIS  44 -32.530   9.387   9.387
  343    HE1  HIS  44           HE1      HIS  44 -31.102  11.279  11.279
  344    H    GLN  45           HN       GLN  45 -31.035   7.425   7.425
  345    HA   GLN  45           HA       GLN  45 -30.664  10.092  10.092
  346   1HB   GLN  45           HB2      GLN  45 -31.653   8.882   8.882
  347   2HB   GLN  45           HB3      GLN  45 -29.950   8.732   8.732
  348   1HG   GLN  45           HG2      GLN  45 -30.382   6.565   6.565
  349   2HG   GLN  45           HG3      GLN  45 -32.097   6.719   6.719
  350   1HE2  GLN  45           HE2      GLN  45 -29.434   5.441   5.441
  351   2HE2  GLN  45           HE2      GLN  45 -28.964   6.003   6.003
  352    H    MET  46           HN       MET  46 -32.817  10.542  10.542
  353    HA   MET  46           HA       MET  46 -34.829  10.963  10.963
  354   1HB   MET  46           HB2      MET  46 -36.160  11.617  11.617
  355   2HB   MET  46           HB3      MET  46 -34.535  12.268  12.268
  356   1HG   MET  46           HG2      MET  46 -33.857  10.259  10.259
  357   2HG   MET  46           HG3      MET  46 -35.538   9.766   9.766
  358   1HE   MET  46           HE2      MET  46 -37.319  10.879  10.879
  359   2HE   MET  46           HE3      MET  46 -37.427  12.564  12.564
  360   3HE   MET  46           HE1      MET  46 -37.215  11.245  11.245
  361    H    LYS  47           HN       LYS  47 -34.257   8.285   8.285
  362    HA   LYS  47           HA       LYS  47 -36.827   7.159   7.159
  363   1HB   LYS  47           HB2      LYS  47 -34.772   6.790   6.790
  364   2HB   LYS  47           HB3      LYS  47 -34.433   5.463   5.463
  365   1HG   LYS  47           HG2      LYS  47 -37.296   5.734   5.734
  366   2HG   LYS  47           HG3      LYS  47 -36.193   5.312   5.312
  367   1HD   LYS  47           HD2      LYS  47 -36.162   3.831   3.831
  368   2HD   LYS  47           HD3      LYS  47 -37.251   3.366   3.366
  369   1HE   LYS  47           HE2      LYS  47 -35.142   3.281   3.281
  370   2HE   LYS  47           HE3      LYS  47 -34.206   3.366   3.366
  371   1HZ   LYS  47           HZ1      LYS  47 -35.320   1.090   1.090
  372   2HZ   LYS  47           HZ2      LYS  47 -34.645   1.209   1.209
  373    H    ASP  48           HN       ASP  48 -34.057   7.270   7.270
  374    HA   ASP  48           HA       ASP  48 -35.299   5.164   5.164
  375   1HB   ASP  48           HB2      ASP  48 -32.971   4.666   4.666
  376   2HB   ASP  48           HB3      ASP  48 -32.432   6.217   6.217
  377    HD2  ASP  48           HD2      ASP  48 -32.284   3.004   3.004
  378    H    CYS  49           HN       CYS  49 -35.684   8.286   8.286
  379    HA   CYS  49           HA       CYS  49 -34.881   9.188   9.188
  380   1HB   CYS  49           HB2      CYS  49 -34.610  10.674  10.674
  381   2HB   CYS  49           HB3      CYS  49 -36.345  10.665  10.665
  382    H    THR  50           HN       THR  50 -36.191   8.542   8.542
  383    HA   THR  50           HA       THR  50 -38.925   7.821   7.821
  384    HB   THR  50           HB       THR  50 -37.372   6.669   6.669
  385    HG1  THR  50           HG1      THR  50 -39.842   7.004   7.004
  386   1HG2  THR  50           HG2      THR  50 -37.653   9.348   9.348
  387   2HG2  THR  50           HG2      THR  50 -37.170   7.841   7.841
  388   3HG2  THR  50           HG2      THR  50 -36.139   8.533   8.533
  389    H    GLU  51           HN       GLU  51 -37.453  10.792  10.792
  390    HA   GLU  51           HA       GLU  51 -38.140  12.823  12.823
  391   1HB   GLU  51           HB2      GLU  51 -40.520  11.363  11.363
  392   2HB   GLU  51           HB3      GLU  51 -40.972  12.673  12.673
  393   1HG   GLU  51           HG2      GLU  51 -38.951  13.306  13.306
  394   2HG   GLU  51           HG3      GLU  51 -40.598  13.024  13.024
  395    HE1  GLU  51           HE2      GLU  51 -42.138  14.514  14.514
  396    H    ARG  52           HN       ARG  52 -39.208  14.383  14.383
  397    HA   ARG  52           HA       ARG  52 -40.425  13.512  13.512
  398   1HB   ARG  52           HB2      ARG  52 -38.559  13.681  13.681
  399   2HB   ARG  52           HB3      ARG  52 -38.345  12.332  12.332
  400   1HG   ARG  52           HG2      ARG  52 -37.128  14.748  14.748
  401   2HG   ARG  52           HG3      ARG  52 -36.512  14.446  14.446
  402   1HD   ARG  52           HD2      ARG  52 -36.701  12.118  12.118
  403   2HD   ARG  52           HD3      ARG  52 -35.405  13.277  13.277
  404    HE   ARG  52           HE       ARG  52 -35.725  12.282  12.282
  405   1HH1  ARG  52           HH2      ARG  52 -34.051  11.892  11.892
  406   2HH1  ARG  52           HH2      ARG  52 -32.727  11.009  11.009
  407    HH2  ARG  52           HH1      ARG  52 -32.706  10.566  10.566
  408    H    GLN  53           HN       GLN  53 -41.200  15.590  15.590
  409    HA   GLN  53           HA       GLN  53 -41.000  17.737  17.737
  410   1HB   GLN  53           HB2      GLN  53 -39.596  19.311  19.311
  411   2HB   GLN  53           HB3      GLN  53 -38.721  18.168  18.168
  412   1HG   GLN  53           HG2      GLN  53 -37.961  16.955  16.955
  413   2HG   GLN  53           HG3      GLN  53 -39.468  17.119  17.119
  414   1HE2  GLN  53           HE2      GLN  53 -36.294  19.573  19.573
  415   2HE2  GLN  53           HE2      GLN  53 -36.297  18.262  18.262
  416    H    ALA  54           HN       ALA  54 -41.302  16.474  16.474
  417    HA   ALA  54           HA       ALA  54 -42.751  16.869  16.869
  418   1HB   ALA  54           HB2      ALA  54 -44.294  16.332  16.332
  419   2HB   ALA  54           HB3      ALA  54 -44.579  18.085  18.085
  420   3HB   ALA  54           HB1      ALA  54 -45.030  17.210  17.210
  421    H    ASN  55           HN       ASN  55 -44.117  18.699  18.699
  422    HA   ASN  55           HA       ASN  55 -42.402  20.992  20.992
  423   1HB   ASN  55           HB2      ASN  55 -44.825  20.351  20.351
  424   2HB   ASN  55           HB3      ASN  55 -43.702  21.669  21.669
  425   1HD2  ASN  55           HD2      ASN  55 -40.933  19.580  19.580
  426   2HD2  ASN  55           HD2      ASN  55 -41.337  20.989  20.989

  Start of MODEL   17
    1    H    MET   1           HN       MET   1   1.884   0.000   0.000
    2    HA   MET   1           HA       MET   1   2.807   0.800   0.800
    3   1HB   MET   1           HB2      MET   1   2.030  -2.157  -2.157
    4   2HB   MET   1           HB3      MET   1   3.093  -1.459  -1.459
    5   1HG   MET   1           HG2      MET   1   3.943  -0.702  -0.702
    6   2HG   MET   1           HG3      MET   1   3.842  -2.444  -2.444
    7   1HE   MET   1           HE1      MET   1   4.675  -3.753  -3.753
    8   2HE   MET   1           HE2      MET   1   4.943  -2.977  -2.977
    9   3HE   MET   1           HE3      MET   1   6.329  -3.565  -3.565
   10    H    GLN   2           HN       GLN   2   1.375   2.313   2.313
   11    HA   GLN   2           HA       GLN   2   0.572   1.554   1.554
   12   1HB   GLN   2           HB2      GLN   2  -1.457   1.100   1.100
   13   2HB   GLN   2           HB3      GLN   2  -2.030   2.204   2.204
   14   1HG   GLN   2           HG2      GLN   2  -0.589  -0.041  -0.041
   15   2HG   GLN   2           HG3      GLN   2  -1.877  -0.623  -0.623
   16   1HE2  GLN   2           HE2      GLN   2  -4.172  -0.218  -0.218
   17   2HE2  GLN   2           HE2      GLN   2  -3.421  -1.211  -1.211
   18    H    LYS   3           HN       LYS   3  -0.420   3.405   3.405
   19    HA   LYS   3           HA       LYS   3  -0.513   5.550   5.550
   20   1HB   LYS   3           HB2      LYS   3  -1.527   5.517   5.517
   21   2HB   LYS   3           HB3      LYS   3  -1.149   7.078   7.078
   22   1HG   LYS   3           HG2      LYS   3  -2.550   6.349   6.349
   23   2HG   LYS   3           HG3      LYS   3  -3.092   4.992   4.992
   24   1HD   LYS   3           HD2      LYS   3  -4.766   6.637   6.637
   25   2HD   LYS   3           HD3      LYS   3  -3.770   6.743   6.743
   26   1HE   LYS   3           HE2      LYS   3  -3.127   8.496   8.496
   27   2HE   LYS   3           HE3      LYS   3  -4.435   8.950   8.950
   28   1HZ   LYS   3           HZ1      LYS   3  -2.563   9.948   9.948
   29   2HZ   LYS   3           HZ2      LYS   3  -2.680   8.592   8.592
   30    H    GLY   4           HN       GLY   4   1.737   5.558   5.558
   31   1HA   GLY   4           HA1      GLY   4   3.731   6.212   6.212
   32   2HA   GLY   4           HA2      GLY   4   3.924   6.111   6.111
   33    H    ASN   5           HN       ASN   5   2.515   8.192   8.192
   34    HA   ASN   5           HA       ASN   5   2.064  10.333  10.333
   35   1HB   ASN   5           HB2      ASN   5   4.010  11.772  11.772
   36   2HB   ASN   5           HB3      ASN   5   4.602  10.215  10.215
   37   1HD2  ASN   5           HD2      ASN   5   6.321   9.343   9.343
   38   2HD2  ASN   5           HD2      ASN   5   5.628   8.811   8.811
   39    H    PHE   6           HN       PHE   6   3.000  12.514  12.514
   40    HA   PHE   6           HA       PHE   6   1.157  12.074  12.074
   41   1HB   PHE   6           HB2      PHE   6   1.519  14.548  14.548
   42   2HB   PHE   6           HB3      PHE   6   1.152  14.163  14.163
   43    HD1  PHE   6           HD2      PHE   6   2.928  14.229  14.229
   44    HD2  PHE   6           HD1      PHE   6   3.679  15.393  15.393
   45    HE1  PHE   6           HE2      PHE   6   5.037  15.378  15.378
   46    HE2  PHE   6           HE1      PHE   6   5.788  16.542  16.542
   47   1HZ   PHE   6           HZ       PHE   6   6.442  16.521  16.521
   48    H    ARG   7           HN       ARG   7   3.546  10.475  10.475
   49    HA   ARG   7           HA       ARG   7   5.279  10.037  10.037
   50   1HB   ARG   7           HB2      ARG   7   4.928  10.277  10.277
   51   2HB   ARG   7           HB3      ARG   7   3.422   9.828   9.828
   52   1HG   ARG   7           HG2      ARG   7   2.540  12.057  12.057
   53   2HG   ARG   7           HG3      ARG   7   4.115  12.748  12.748
   54   1HD   ARG   7           HD2      ARG   7   3.928  10.990  10.990
   55   2HD   ARG   7           HD3      ARG   7   2.228  11.336  11.336
   56    HE   ARG   7           HE       ARG   7   3.983  13.709  13.709
   57   1HH1  ARG   7           HH2      ARG   7   1.859  11.555  11.555
   58   2HH1  ARG   7           HH2      ARG   7   1.590  12.703  12.703
   59    HH2  ARG   7           HH1      ARG   7   2.639  14.854  14.854
   60    H    ASN   8           HN       ASN   8   6.590  11.278  11.278
   61    HA   ASN   8           HA       ASN   8   6.963  13.986  13.986
   62   1HB   ASN   8           HB2      ASN   8   7.932  13.142  13.142
   63   2HB   ASN   8           HB3      ASN   8   9.239  12.448  12.448
   64   1HD2  ASN   8           HD2      ASN   8  10.892  15.475  15.475
   65   2HD2  ASN   8           HD2      ASN   8  10.704  13.803  13.803
   66    H    GLN   9           HN       GLN   9   8.712  10.817  10.817
   67    HA   GLN   9           HA       GLN   9   9.601   9.907   9.907
   68   1HB   GLN   9           HB2      GLN   9   8.158  11.905  11.905
   69   2HB   GLN   9           HB3      GLN   9   9.791  12.316  12.316
   70   1HG   GLN   9           HG2      GLN   9   8.936   9.426   9.426
   71   2HG   GLN   9           HG3      GLN   9   8.323  10.549  10.549
   72   1HE2  GLN   9           HE2      GLN   9  12.362   9.656   9.656
   73   2HE2  GLN   9           HE2      GLN   9  11.289   9.439   9.439
   74    H    ARG  10           HN       ARG  10  10.600  13.344  13.344
   75    HA   ARG  10           HA       ARG  10  13.075  13.378  13.378
   76   1HB   ARG  10           HB2      ARG  10  11.622  14.667  14.667
   77   2HB   ARG  10           HB3      ARG  10  13.301  14.456  14.456
   78   1HG   ARG  10           HG2      ARG  10  13.589  15.348  15.348
   79   2HG   ARG  10           HG3      ARG  10  12.116  16.176  16.176
   80   1HD   ARG  10           HD2      ARG  10  13.584  17.734  17.734
   81   2HD   ARG  10           HD3      ARG  10  13.592  16.662  16.662
   82    HE   ARG  10           HE       ARG  10  15.758  15.910  15.910
   83   1HH1  ARG  10           HH2      ARG  10  14.430  17.944  17.944
   84   2HH1  ARG  10           HH2      ARG  10  15.942  18.090  18.090
   85    HH2  ARG  10           HH1      ARG  10  17.881  16.999  16.999
   86    H    LYS  11           HN       LYS  11  11.995  11.842  11.842
   87    HA   LYS  11           HA       LYS  11  14.454  10.265  10.265
   88   1HB   LYS  11           HB2      LYS  11  14.620  10.550  10.550
   89   2HB   LYS  11           HB3      LYS  11  15.031  11.966  11.966
   90   1HG   LYS  11           HG2      LYS  11  13.579  13.045  13.045
   91   2HG   LYS  11           HG3      LYS  11  12.345  12.399  12.399
   92   1HD   LYS  11           HD2      LYS  11  11.592  11.725  11.725
   93   2HD   LYS  11           HD3      LYS  11  12.393  10.285  10.285
   94   1HE   LYS  11           HE2      LYS  11  13.861  10.332  10.332
   95   2HE   LYS  11           HE3      LYS  11  14.377  11.949  11.949
   96   1HZ   LYS  11           HZ1      LYS  11  12.467  12.824  12.824
   97   2HZ   LYS  11           HZ2      LYS  11  12.003  11.319  11.319
   98    H    THR  12           HN       THR  12  11.168  10.803  10.803
   99    HA   THR  12           HA       THR  12   9.542   9.377   9.377
  100    HB   THR  12           HB       THR  12  11.108   7.584   7.584
  101    HG1  THR  12           HG1      THR  12  10.249   9.585   9.585
  102   1HG2  THR  12           HG2      THR  12   9.188   6.582   6.582
  103   2HG2  THR  12           HG2      THR  12   8.131   7.379   7.379
  104   3HG2  THR  12           HG2      THR  12   9.280   6.127   6.127
  105    H    VAL  13           HN       VAL  13  11.871   6.689   6.689
  106    HA   VAL  13           HA       VAL  13  12.088   6.615   6.615
  107    HB   VAL  13           HB       VAL  13  11.717   4.102   4.102
  108   1HG1  VAL  13           HG1      VAL  13   9.907   6.282   6.282
  109   2HG1  VAL  13           HG1      VAL  13   9.052   4.992   4.992
  110   3HG1  VAL  13           HG1      VAL  13   9.824   4.642   4.642
  111   1HG2  VAL  13           HG2      VAL  13  11.838   4.140   4.140
  112   2HG2  VAL  13           HG2      VAL  13  10.464   3.247   3.247
  113   3HG2  VAL  13           HG2      VAL  13  10.216   4.873   4.873
  114    H    LYS  14           HN       LYS  14  13.935   5.311   5.311
  115    HA   LYS  14           HA       LYS  14  15.964   5.113   5.113
  116   1HB   LYS  14           HB2      LYS  14  17.578   5.434   5.434
  117   2HB   LYS  14           HB3      LYS  14  16.674   6.834   6.834
  118   1HG   LYS  14           HG2      LYS  14  15.265   6.838   6.838
  119   2HG   LYS  14           HG3      LYS  14  15.474   5.123   5.123
  120   1HD   LYS  14           HD2      LYS  14  17.575   5.414   5.414
  121   2HD   LYS  14           HD3      LYS  14  17.879   6.943   6.943
  122   1HE   LYS  14           HE2      LYS  14  15.703   7.710   7.710
  123   2HE   LYS  14           HE3      LYS  14  16.162   6.372   6.372
  124   1HZ   LYS  14           HZ1      LYS  14  17.844   8.715   8.715
  125   2HZ   LYS  14           HZ2      LYS  14  17.293   8.309   8.309
  126    H    CYS  15           HN       CYS  15  16.767   3.125   3.125
  127    HA   CYS  15           HA       CYS  15  15.688   0.899   0.899
  128   1HB   CYS  15           HB2      CYS  15  16.203   0.785   0.785
  129   2HB   CYS  15           HB3      CYS  15  17.892   1.146   1.146
  130    H    PHE  16           HN       PHE  16  16.367   0.157   0.157
  131    HA   PHE  16           HA       PHE  16  18.930   1.043   1.043
  132   1HB   PHE  16           HB2      PHE  16  16.318   0.285   0.285
  133   2HB   PHE  16           HB3      PHE  16  17.437  -0.896  -0.896
  134    HD1  PHE  16           HD2      PHE  16  19.804   0.509   0.509
  135    HD2  PHE  16           HD1      PHE  16  15.793   1.876   1.876
  136    HE1  PHE  16           HE2      PHE  16  20.460   2.127   2.127
  137    HE2  PHE  16           HE1      PHE  16  16.449   3.494   3.494
  138   1HZ   PHE  16           HZ       PHE  16  18.774   3.601   3.601
  139    H    ASN  17           HN       ASN  17  18.469  -1.109  -1.109
  140    HA   ASN  17           HA       ASN  17  19.866  -3.265  -3.265
  141   1HB   ASN  17           HB2      ASN  17  17.663  -3.666  -3.666
  142   2HB   ASN  17           HB3      ASN  17  18.629  -3.388  -3.388
  143   1HD2  ASN  17           HD2      ASN  17  20.555  -6.357  -6.357
  144   2HD2  ASN  17           HD2      ASN  17  20.530  -4.712  -4.712
  145    H    CYS  18           HN       CYS  18  19.730  -1.223  -1.223
  146    HA   CYS  18           HA       CYS  18  22.517  -1.948  -1.948
  147   1HB   CYS  18           HB2      CYS  18  22.100  -1.083  -1.083
  148   2HB   CYS  18           HB3      CYS  18  21.170  -2.507  -2.507
  149    H    GLY  19           HN       GLY  19  20.199   0.592   0.592
  150   1HA   GLY  19           HA1      GLY  19  20.827   2.558   2.558
  151   2HA   GLY  19           HA2      GLY  19  22.422   2.467   2.467
  152    H    LYS  20           HN       LYS  20  20.369   1.640   1.640
  153    HA   LYS  20           HA       LYS  20  20.722   4.143   4.143
  154   1HB   LYS  20           HB2      LYS  20  20.594   1.699   1.699
  155   2HB   LYS  20           HB3      LYS  20  18.869   2.000   2.000
  156   1HG   LYS  20           HG2      LYS  20  19.138   3.177   3.177
  157   2HG   LYS  20           HG3      LYS  20  20.112   4.350   4.350
  158   1HD   LYS  20           HD2      LYS  20  21.573   1.846   1.846
  159   2HD   LYS  20           HD3      LYS  20  21.018   2.711   2.711
  160   1HE   LYS  20           HE2      LYS  20  22.218   4.708   4.708
  161   2HE   LYS  20           HE3      LYS  20  22.472   4.154   4.154
  162   1HZ   LYS  20           HZ1      LYS  20  24.490   3.762   3.762
  163   2HZ   LYS  20           HZ2      LYS  20  23.816   2.284   2.284
  164    H    GLU  21           HN       GLU  21  19.341   5.862   5.862
  165    HA   GLU  21           HA       GLU  21  17.031   5.800   5.800
  166   1HB   GLU  21           HB2      GLU  21  16.927   8.227   8.227
  167   2HB   GLU  21           HB3      GLU  21  18.540   7.753   7.753
  168   1HG   GLU  21           HG2      GLU  21  19.342   8.707   8.707
  169   2HG   GLU  21           HG3      GLU  21  18.539   7.453   7.453
  170    HE2  GLU  21           HE2      GLU  21  16.652   8.252   8.252
  171    H    GLY  22           HN       GLY  22  15.164   4.938   4.938
  172   1HA   GLY  22           HA1      GLY  22  13.695   6.022   6.022
  173   2HA   GLY  22           HA2      GLY  22  14.673   4.801   4.801
  174    H    HIS  23           HN       HIS  23  14.812   2.623   2.623
  175    HA   HIS  23           HA       HIS  23  12.012   1.981   1.981
  176   1HB   HIS  23           HB2      HIS  23  12.620  -0.331  -0.331
  177   2HB   HIS  23           HB3      HIS  23  13.034   0.708   0.708
  178    HD1  HIS  23           HD1      HIS  23  15.669   1.352   1.352
  179    HD2  HIS  23           HD2      HIS  23  14.717  -1.810  -1.810
  180    HE1  HIS  23           HE1      HIS  23  17.844   0.083   0.083
  181    H    ILE  24           HN       ILE  24  12.251  -0.293  -0.293
  182    HA   ILE  24           HA       ILE  24  13.681   0.717   0.717
  183    HB   ILE  24           HB       ILE  24  11.878  -0.361  -0.361
  184   1HG1  ILE  24           HG1      ILE  24  10.310  -0.454  -0.454
  185   2HG1  ILE  24           HG1      ILE  24  11.119  -1.855  -1.855
  186   1HG2  ILE  24           HG2      ILE  24  11.994   2.145   2.145
  187   2HG2  ILE  24           HG2      ILE  24  10.343   1.602   1.602
  188   3HG2  ILE  24           HG2      ILE  24  10.896   1.635   1.635
  189   1HD1  ILE  24           HD1      ILE  24   9.837  -1.254  -1.254
  190   2HD1  ILE  24           HD1      ILE  24   8.802  -0.275  -0.275
  191   3HD1  ILE  24           HD1      ILE  24   8.939  -2.030  -2.030
  192    H    ALA  25           HN       ALA  25  14.210  -1.097  -1.097
  193    HA   ALA  25           HA       ALA  25  15.751  -3.012  -3.012
  194   1HB   ALA  25           HB2      ALA  25  16.108  -2.042  -2.042
  195   2HB   ALA  25           HB3      ALA  25  14.773  -3.071  -3.071
  196   3HB   ALA  25           HB1      ALA  25  16.250  -3.815  -3.815
  197    H    LYS  26           HN       LYS  26  12.416  -3.010  -3.010
  198    HA   LYS  26           HA       LYS  26  12.072  -5.807  -5.807
  199   1HB   LYS  26           HB2      LYS  26  10.702  -4.267  -4.267
  200   2HB   LYS  26           HB3      LYS  26  10.011  -3.583  -3.583
  201   1HG   LYS  26           HG2      LYS  26   9.080  -5.788  -5.788
  202   2HG   LYS  26           HG3      LYS  26   9.849  -6.542  -6.542
  203   1HD   LYS  26           HD2      LYS  26   7.732  -6.180  -6.180
  204   2HD   LYS  26           HD3      LYS  26   8.506  -4.684  -4.684
  205   1HE   LYS  26           HE2      LYS  26   7.321  -3.403  -3.403
  206   2HE   LYS  26           HE3      LYS  26   7.268  -4.680  -4.680
  207   1HZ   LYS  26           HZ1      LYS  26   5.349  -5.500  -5.500
  208   2HZ   LYS  26           HZ2      LYS  26   5.767  -5.222  -5.222
  209    H    ASN  27           HN       ASN  27  12.329  -3.330  -3.330
  210    HA   ASN  27           HA       ASN  27  11.064  -5.125  -5.125
  211   1HB   ASN  27           HB2      ASN  27  11.129  -2.182  -2.182
  212   2HB   ASN  27           HB3      ASN  27  11.566  -2.674  -2.674
  213   1HD2  ASN  27           HD2      ASN  27   7.806  -3.490  -3.490
  214   2HD2  ASN  27           HD2      ASN  27   9.181  -3.233  -3.233
  215    H    CYS  28           HN       CYS  28  13.928  -4.955  -4.955
  216    HA   CYS  28           HA       CYS  28  15.513  -4.310  -4.310
  217   1HB   CYS  28           HB2      CYS  28  16.155  -3.577  -3.577
  218   2HB   CYS  28           HB3      CYS  28  16.491  -5.257  -5.257
  219    H    ARG  29           HN       ARG  29  16.166  -5.888  -5.888
  220    HA   ARG  29           HA       ARG  29  15.631  -8.616  -8.616
  221   1HB   ARG  29           HB2      ARG  29  15.670  -9.142  -9.142
  222   2HB   ARG  29           HB3      ARG  29  14.588  -7.795  -7.795
  223   1HG   ARG  29           HG2      ARG  29  16.928  -6.428  -6.428
  224   2HG   ARG  29           HG3      ARG  29  17.225  -7.840  -7.840
  225   1HD   ARG  29           HD2      ARG  29  14.575  -6.370  -6.370
  226   2HD   ARG  29           HD3      ARG  29  15.984  -5.759  -5.759
  227    HE   ARG  29           HE       ARG  29  15.594  -8.608  -8.608
  228   1HH1  ARG  29           HH2      ARG  29  14.534  -5.388  -5.388
  229   2HH1  ARG  29           HH2      ARG  29  14.037  -5.918  -5.918
  230    HH2  ARG  29           HH1      ARG  29  14.284  -8.226  -8.226
  231    H    ALA  30           HN       ALA  30  18.153  -6.458  -6.458
  232    HA   ALA  30           HA       ALA  30  20.264  -7.709  -7.709
  233   1HB   ALA  30           HB3      ALA  30  20.164  -5.403  -5.403
  234   2HB   ALA  30           HB1      ALA  30  20.382  -6.199  -6.199
  235   3HB   ALA  30           HB2      ALA  30  21.650  -6.325  -6.325
  236    HA   PRO  31           HA       PRO  31  21.057 -11.199 -11.199
  237   1HB   PRO  31           HB2      PRO  31  23.730 -11.582 -11.582
  238   2HB   PRO  31           HB3      PRO  31  22.501 -12.063 -12.063
  239   1HG   PRO  31           HG2      PRO  31  24.351  -9.761  -9.761
  240   2HG   PRO  31           HG3      PRO  31  23.433 -10.498 -10.498
  241   1HD   PRO  31           HD2      PRO  31  22.829  -8.039  -8.039
  242   2HD   PRO  31           HD3      PRO  31  21.850  -8.836  -8.836
  243    H    ARG  32           HN       ARG  32  20.432 -10.302 -10.302
  244    HA   ARG  32           HA       ARG  32  22.482  -9.008  -9.008
  245   1HB   ARG  32           HB2      ARG  32  20.816  -8.953  -8.953
  246   2HB   ARG  32           HB3      ARG  32  20.064  -8.475  -8.475
  247   1HG   ARG  32           HG2      ARG  32  19.273 -10.881 -10.881
  248   2HG   ARG  32           HG3      ARG  32  19.896 -11.226 -11.226
  249   1HD   ARG  32           HD2      ARG  32  18.412  -9.348  -9.348
  250   2HD   ARG  32           HD3      ARG  32  17.705  -9.215  -9.215
  251    HE   ARG  32           HE       ARG  32  17.266 -11.380 -11.380
  252   1HH1  ARG  32           HH2      ARG  32  17.031 -10.433 -10.433
  253   2HH1  ARG  32           HH2      ARG  32  15.838 -11.630 -11.630
  254    HH2  ARG  32           HH1      ARG  32  15.065 -13.104 -13.104
  255    H    LYS  33           HN       LYS  33  22.161 -12.164 -12.164
  256    HA   LYS  33           HA       LYS  33  22.652 -14.163 -14.163
  257   1HB   LYS  33           HB2      LYS  33  24.893 -14.326 -14.326
  258   2HB   LYS  33           HB3      LYS  33  24.847 -13.033 -13.033
  259   1HG   LYS  33           HG2      LYS  33  25.151 -11.357 -11.357
  260   2HG   LYS  33           HG3      LYS  33  24.366 -12.272 -12.272
  261   1HD   LYS  33           HD2      LYS  33  26.327 -13.783 -13.783
  262   2HD   LYS  33           HD3      LYS  33  27.104 -12.959 -12.959
  263   1HE   LYS  33           HE2      LYS  33  28.044 -12.087 -12.087
  264   2HE   LYS  33           HE3      LYS  33  27.081 -10.820 -10.820
  265   1HZ   LYS  33           HZ1      LYS  33  26.136 -10.762 -10.762
  266   2HZ   LYS  33           HZ2      LYS  33  25.254 -12.036 -12.036
  267    H    LYS  34           HN       LYS  34  23.848 -14.974 -14.974
  268    HA   LYS  34           HA       LYS  34  22.464 -13.851 -13.851
  269   1HB   LYS  34           HB2      LYS  34  20.999 -15.782 -15.782
  270   2HB   LYS  34           HB3      LYS  34  21.284 -16.410 -16.410
  271   1HG   LYS  34           HG2      LYS  34  19.936 -14.840 -14.840
  272   2HG   LYS  34           HG3      LYS  34  20.481 -13.547 -13.547
  273   1HD   LYS  34           HD2      LYS  34  19.040 -14.370 -14.370
  274   2HD   LYS  34           HD3      LYS  34  18.566 -15.760 -15.760
  275   1HE   LYS  34           HE2      LYS  34  18.041 -12.864 -12.864
  276   2HE   LYS  34           HE3      LYS  34  16.867 -13.877 -13.877
  277   1HZ   LYS  34           HZ1      LYS  34  18.017 -15.118 -15.118
  278   2HZ   LYS  34           HZ2      LYS  34  17.180 -13.764 -13.764
  279    H    GLY  35           HN       GLY  35  24.295 -13.937 -13.937
  280   1HA   GLY  35           HA1      GLY  35  25.827 -14.886 -14.886
  281   2HA   GLY  35           HA2      GLY  35  25.123 -16.456 -16.456
  282    H    CYS  36           HN       CYS  36  27.756 -16.613 -16.613
  283    HA   CYS  36           HA       CYS  36  29.055 -16.033 -16.033
  284   1HB   CYS  36           HB2      CYS  36  30.174 -15.872 -15.872
  285   2HB   CYS  36           HB3      CYS  36  30.069 -17.615 -17.615
  286    H    TRP  37           HN       TRP  37  28.734 -17.340 -17.340
  287    HA   TRP  37           HA       TRP  37  27.824 -20.063 -20.063
  288   1HB   TRP  37           HB2      TRP  37  26.887 -18.287 -18.287
  289   2HB   TRP  37           HB3      TRP  37  28.215 -18.824 -18.824
  290    HD1  TRP  37           HD1      TRP  37  27.787 -22.003 -22.003
  291    HE1  TRP  37           HE1      TRP  37  25.926 -23.510 -23.510
  292    HE3  TRP  37           HE3      TRP  37  25.150 -18.163 -18.163
  293    HZ2  TRP  37           HZ2      TRP  37  23.612 -22.940 -22.940
  294    HZ3  TRP  37           HZ3      TRP  37  23.102 -18.725 -18.725
  295    HH2  TRP  37           HH2      TRP  37  22.323 -21.017 -21.017
  296    H    LYS  38           HN       LYS  38  30.686 -18.777 -18.777
  297    HA   LYS  38           HA       LYS  38  32.128 -20.604 -20.604
  298   1HB   LYS  38           HB2      LYS  38  32.608 -18.081 -18.081
  299   2HB   LYS  38           HB3      LYS  38  33.327 -18.335 -18.335
  300   1HG   LYS  38           HG2      LYS  38  34.951 -19.916 -19.916
  301   2HG   LYS  38           HG3      LYS  38  34.137 -19.949 -19.949
  302   1HD   LYS  38           HD2      LYS  38  34.672 -17.201 -17.201
  303   2HD   LYS  38           HD3      LYS  38  36.123 -18.047 -18.047
  304   1HE   LYS  38           HE2      LYS  38  34.757 -18.519 -18.519
  305   2HE   LYS  38           HE3      LYS  38  36.052 -17.361 -17.361
  306   1HZ   LYS  38           HZ1      LYS  38  36.212 -20.298 -20.298
  307   2HZ   LYS  38           HZ2      LYS  38  37.086 -19.364 -19.364
  308    H    CYS  39           HN       CYS  39  31.725 -19.523 -19.523
  309    HA   CYS  39           HA       CYS  39  33.195 -21.925 -21.925
  310   1HB   CYS  39           HB2      CYS  39  33.443 -20.831 -20.831
  311   2HB   CYS  39           HB3      CYS  39  34.218 -19.965 -19.965
  312    H    GLY  40           HN       GLY  40  30.114 -20.213 -20.213
  313   1HA   GLY  40           HA1      GLY  40  28.067 -21.277 -21.277
  314   2HA   GLY  40           HA2      GLY  40  28.823 -22.524 -22.524
  315    H    LYS  41           HN       LYS  41  30.115 -19.543 -19.543
  316    HA   LYS  41           HA       LYS  41  28.788 -19.659 -19.659
  317   1HB   LYS  41           HB2      LYS  41  31.160 -18.834 -18.834
  318   2HB   LYS  41           HB3      LYS  41  30.405 -17.330 -17.330
  319   1HG   LYS  41           HG2      LYS  41  30.324 -16.682 -16.682
  320   2HG   LYS  41           HG3      LYS  41  29.229 -18.007 -18.007
  321   1HD   LYS  41           HD2      LYS  41  31.695 -19.303 -19.303
  322   2HD   LYS  41           HD3      LYS  41  32.127 -17.757 -17.757
  323   1HE   LYS  41           HE2      LYS  41  29.772 -19.375 -19.375
  324   2HE   LYS  41           HE3      LYS  41  31.404 -19.663 -19.663
  325   1HZ   LYS  41           HZ1      LYS  41  30.875 -18.013 -18.013
  326   2HZ   LYS  41           HZ2      LYS  41  31.229 -16.990 -16.990
  327    H    GLU  42           HN       GLU  42  26.971 -18.652 -18.652
  328    HA   GLU  42           HA       GLU  42  25.553 -17.090 -17.090
  329   1HB   GLU  42           HB2      GLU  42  23.560 -17.550 -17.550
  330   2HB   GLU  42           HB3      GLU  42  24.448 -19.053 -19.053
  331   1HG   GLU  42           HG2      GLU  42  24.659 -19.234 -19.234
  332   2HG   GLU  42           HG3      GLU  42  25.383 -17.642 -17.642
  333    HE1  GLU  42           HE2      GLU  42  22.023 -16.212 -16.212
  334    H    GLY  43           HN       GLY  43  27.608 -15.570 -15.570
  335   1HA   GLY  43           HA1      GLY  43  26.320 -13.493 -13.493
  336   2HA   GLY  43           HA2      GLY  43  27.774 -14.184 -14.184
  337    H    HIS  44           HN       HIS  44  29.773 -14.264 -14.264
  338    HA   HIS  44           HA       HIS  44  30.128 -11.677 -11.677
  339   1HB   HIS  44           HB2      HIS  44  32.400 -12.272 -12.272
  340   2HB   HIS  44           HB3      HIS  44  31.846 -13.015 -13.015
  341    HD1  HIS  44           HD1      HIS  44  31.941 -15.571 -15.571
  342    HD2  HIS  44           HD2      HIS  44  32.854 -14.127 -14.127
  343    HE1  HIS  44           HE1      HIS  44  32.850 -17.559 -17.559
  344    H    GLN  45           HN       GLN  45  31.186 -11.420 -11.420
  345    HA   GLN  45           HA       GLN  45  29.797 -13.215 -13.215
  346   1HB   GLN  45           HB2      GLN  45  29.509 -11.238 -11.238
  347   2HB   GLN  45           HB3      GLN  45  28.629 -11.085 -11.085
  348   1HG   GLN  45           HG2      GLN  45  31.219 -10.002 -10.002
  349   2HG   GLN  45           HG3      GLN  45  30.748  -9.386  -9.386
  350   1HE2  GLN  45           HE2      GLN  45  28.497  -7.051  -7.051
  351   2HE2  GLN  45           HE2      GLN  45  29.463  -7.701  -7.701
  352    H    MET  46           HN       MET  46  30.851 -12.328 -12.328
  353    HA   MET  46           HA       MET  46  33.321 -13.566 -13.566
  354   1HB   MET  46           HB2      MET  46  32.311 -11.554 -11.554
  355   2HB   MET  46           HB3      MET  46  33.382 -12.910 -12.910
  356   1HG   MET  46           HG2      MET  46  31.441 -13.962 -13.962
  357   2HG   MET  46           HG3      MET  46  31.257 -14.257 -14.257
  358   1HE   MET  46           HE3      MET  46  30.897 -11.998 -11.998
  359   2HE   MET  46           HE1      MET  46  29.136 -11.757 -11.757
  360   3HE   MET  46           HE2      MET  46  30.160 -10.553 -10.553
  361    H    LYS  47           HN       LYS  47  32.377 -10.106 -10.106
  362    HA   LYS  47           HA       LYS  47  34.959  -9.080  -9.080
  363   1HB   LYS  47           HB2      LYS  47  32.778  -7.851  -7.851
  364   2HB   LYS  47           HB3      LYS  47  32.663  -7.802  -7.802
  365   1HG   LYS  47           HG2      LYS  47  33.744  -5.778  -5.778
  366   2HG   LYS  47           HG3      LYS  47  35.148  -6.814  -6.814
  367   1HD   LYS  47           HD2      LYS  47  35.585  -5.573  -5.573
  368   2HD   LYS  47           HD3      LYS  47  35.036  -7.128  -7.128
  369   1HE   LYS  47           HE2      LYS  47  33.677  -5.761  -5.761
  370   2HE   LYS  47           HE3      LYS  47  32.628  -5.938  -5.938
  371   1HZ   LYS  47           HZ1      LYS  47  34.216  -3.832  -3.832
  372   2HZ   LYS  47           HZ2      LYS  47  34.007  -3.588  -3.588
  373    H    ASP  48           HN       ASP  48  33.507 -10.781 -10.781
  374    HA   ASP  48           HA       ASP  48  35.747  -9.921  -9.921
  375   1HB   ASP  48           HB2      ASP  48  32.869 -10.576 -10.576
  376   2HB   ASP  48           HB3      ASP  48  34.132 -10.733 -10.733
  377    HD2  ASP  48           HD2      ASP  48  34.631  -9.025  -9.025
  378    H    CYS  49           HN       CYS  49  35.106 -12.225 -12.225
  379    HA   CYS  49           HA       CYS  49  35.148 -14.529 -14.529
  380   1HB   CYS  49           HB2      CYS  49  33.749 -14.540 -14.540
  381   2HB   CYS  49           HB3      CYS  49  35.187 -14.370 -14.370
  382    H    THR  50           HN       THR  50  37.124 -15.011 -15.011
  383    HA   THR  50           HA       THR  50  39.554 -14.156 -14.156
  384    HB   THR  50           HB       THR  50  39.104 -14.108 -14.108
  385    HG1  THR  50           HG1      THR  50  41.271 -14.341 -14.341
  386   1HG2  THR  50           HG2      THR  50  38.407 -16.861 -16.861
  387   2HG2  THR  50           HG2      THR  50  39.926 -16.851 -16.851
  388   3HG2  THR  50           HG2      THR  50  38.492 -16.009 -16.009
  389    H    GLU  51           HN       GLU  51  37.472 -16.572 -16.572
  390    HA   GLU  51           HA       GLU  51  37.657 -18.362 -18.362
  391   1HB   GLU  51           HB2      GLU  51  40.342 -17.125 -17.125
  392   2HB   GLU  51           HB3      GLU  51  40.232 -18.826 -18.826
  393   1HG   GLU  51           HG2      GLU  51  39.393 -18.124 -18.124
  394   2HG   GLU  51           HG3      GLU  51  37.898 -17.842 -17.842
  395    HE1  GLU  51           HE2      GLU  51  40.652 -16.379 -16.379
  396    H    ARG  52           HN       ARG  52  38.942 -20.627 -20.627
  397    HA   ARG  52           HA       ARG  52  39.393 -22.451 -22.451
  398   1HB   ARG  52           HB2      ARG  52  41.239 -20.512 -20.512
  399   2HB   ARG  52           HB3      ARG  52  41.230 -22.211 -22.211
  400   1HG   ARG  52           HG2      ARG  52  41.591 -22.714 -22.714
  401   2HG   ARG  52           HG3      ARG  52  41.883 -20.999 -20.999
  402   1HD   ARG  52           HD2      ARG  52  43.412 -22.275 -22.275
  403   2HD   ARG  52           HD3      ARG  52  43.844 -22.825 -22.825
  404    HE   ARG  52           HE       ARG  52  44.426 -20.227 -20.227
  405   1HH1  ARG  52           HH2      ARG  52  43.648 -21.820 -21.820
  406   2HH1  ARG  52           HH2      ARG  52  44.434 -20.618 -20.618
  407    HH2  ARG  52           HH1      ARG  52  45.495 -18.757 -18.757
  408    H    GLN  53           HN       GLN  53  37.568 -23.221 -23.221
  409    HA   GLN  53           HA       GLN  53  36.889 -21.949 -21.949
  410   1HB   GLN  53           HB2      GLN  53  34.731 -23.058 -23.058
  411   2HB   GLN  53           HB3      GLN  53  35.113 -22.275 -22.275
  412   1HG   GLN  53           HG2      GLN  53  36.192 -24.649 -24.649
  413   2HG   GLN  53           HG3      GLN  53  35.124 -25.223 -25.223
  414   1HE2  GLN  53           HE2      GLN  53  33.736 -24.023 -24.023
  415   2HE2  GLN  53           HE2      GLN  53  35.388 -23.860 -23.860
  416    H    ALA  54           HN       ALA  54  35.707 -23.895 -23.895
  417    HA   ALA  54           HA       ALA  54  36.047 -25.647 -25.647
  418   1HB   ALA  54           HB3      ALA  54  36.332 -26.851 -26.851
  419   2HB   ALA  54           HB1      ALA  54  38.089 -26.653 -26.653
  420   3HB   ALA  54           HB2      ALA  54  37.157 -27.607 -27.607
  421    H    ASN  55           HN       ASN  55  39.284 -24.924 -24.924
  422    HA   ASN  55           HA       ASN  55  41.184 -24.346 -24.346
  423   1HB   ASN  55           HB2      ASN  55  39.652 -23.393 -23.393
  424   2HB   ASN  55           HB3      ASN  55  41.246 -22.862 -22.862
  425   1HD2  ASN  55           HD2      ASN  55  40.210 -20.563 -20.563
  426   2HD2  ASN  55           HD2      ASN  55  41.506 -21.466 -21.466

  Start of MODEL   18
    1    H    MET   1           HN       MET   1   1.884   0.000   0.000
    2    HA   MET   1           HA       MET   1   1.889   0.975   0.975
    3   1HB   MET   1           HB2      MET   1   4.121  -0.231  -0.231
    4   2HB   MET   1           HB3      MET   1   3.939   0.641   0.641
    5   1HG   MET   1           HG2      MET   1   2.850  -1.855  -1.855
    6   2HG   MET   1           HG3      MET   1   4.150  -2.280  -2.280
    7   1HE   MET   1           HE2      MET   1   3.600   0.649   0.649
    8   2HE   MET   1           HE3      MET   1   3.213  -0.751  -0.751
    9   3HE   MET   1           HE1      MET   1   4.663   0.226   0.226
   10    H    GLN   2           HN       GLN   2   1.089  -2.302  -2.302
   11    HA   GLN   2           HA       GLN   2   1.174  -3.303  -3.303
   12   1HB   GLN   2           HB2      GLN   2   1.923  -4.619  -4.619
   13   2HB   GLN   2           HB3      GLN   2   0.229  -4.759  -4.759
   14   1HG   GLN   2           HG2      GLN   2   0.643  -6.747  -6.747
   15   2HG   GLN   2           HG3      GLN   2  -0.119  -5.707  -5.707
   16   1HE2  GLN   2           HE2      GLN   2   3.480  -7.284  -7.284
   17   2HE2  GLN   2           HE2      GLN   2   2.339  -7.789  -7.789
   18    H    LYS   3           HN       LYS   3  -1.274  -3.100  -3.100
   19    HA   LYS   3           HA       LYS   3  -3.452  -2.724  -2.724
   20   1HB   LYS   3           HB2      LYS   3  -2.573  -1.447  -1.447
   21   2HB   LYS   3           HB3      LYS   3  -4.255  -1.936  -1.936
   22   1HG   LYS   3           HG2      LYS   3  -4.841  -0.287  -0.287
   23   2HG   LYS   3           HG3      LYS   3  -3.572  -0.728  -0.728
   24   1HD   LYS   3           HD2      LYS   3  -2.928   0.800   0.800
   25   2HD   LYS   3           HD3      LYS   3  -3.485   1.642   1.642
   26   1HE   LYS   3           HE2      LYS   3  -1.062  -0.220  -0.220
   27   2HE   LYS   3           HE3      LYS   3  -0.973   1.528   1.528
   28   1HZ   LYS   3           HZ1      LYS   3  -1.182  -0.040  -0.040
   29   2HZ   LYS   3           HZ2      LYS   3  -1.095   1.584   1.584
   30    H    GLY   4           HN       GLY   4  -2.740  -4.008  -4.008
   31   1HA   GLY   4           HA1      GLY   4  -4.909  -5.640  -5.640
   32   2HA   GLY   4           HA2      GLY   4  -3.327  -5.955  -5.955
   33    H    ASN   5           HN       ASN   5  -5.404  -7.836  -7.836
   34    HA   ASN   5           HA       ASN   5  -5.433  -9.697  -9.697
   35   1HB   ASN   5           HB2      ASN   5  -2.811  -9.558  -9.558
   36   2HB   ASN   5           HB3      ASN   5  -2.588  -9.536  -9.536
   37   1HD2  ASN   5           HD2      ASN   5  -4.291 -11.244 -11.244
   38   2HD2  ASN   5           HD2      ASN   5  -4.233 -12.830 -12.830
   39    H    PHE   6           HN       PHE   6  -5.347 -10.589 -10.589
   40    HA   PHE   6           HA       PHE   6  -6.090  -8.652  -8.652
   41   1HB   PHE   6           HB2      PHE   6  -5.639 -10.678 -10.678
   42   2HB   PHE   6           HB3      PHE   6  -6.772 -10.955 -10.955
   43    HD1  PHE   6           HD1      PHE   6  -3.068 -11.137 -11.137
   44    HD2  PHE   6           HD2      PHE   6  -6.551 -12.962 -12.962
   45    HE1  PHE   6           HE1      PHE   6  -1.690 -13.083 -13.083
   46    HE2  PHE   6           HE2      PHE   6  -5.173 -14.909 -14.909
   47   1HZ   PHE   6           HZ       PHE   6  -2.759 -14.946 -14.946
   48    H    ARG   7           HN       ARG   7  -5.039  -8.285  -8.285
   49    HA   ARG   7           HA       ARG   7  -2.449  -7.304  -7.304
   50   1HB   ARG   7           HB2      ARG   7  -4.535  -6.938  -6.938
   51   2HB   ARG   7           HB3      ARG   7  -3.112  -7.419  -7.419
   52   1HG   ARG   7           HG2      ARG   7  -1.931  -5.502  -5.502
   53   2HG   ARG   7           HG3      ARG   7  -2.651  -5.380  -5.380
   54   1HD   ARG   7           HD2      ARG   7  -3.558  -3.535  -3.535
   55   2HD   ARG   7           HD3      ARG   7  -4.851  -4.717  -4.717
   56    HE   ARG   7           HE       ARG   7  -4.610  -5.085  -5.085
   57   1HH1  ARG   7           HH2      ARG   7  -1.911  -3.122  -3.122
   58   2HH1  ARG   7           HH2      ARG   7  -1.342  -2.719  -2.719
   59    HH2  ARG   7           HH1      ARG   7  -2.504  -3.572  -3.572
   60    H    ASN   8           HN       ASN   8  -1.153  -9.200  -9.200
   61    HA   ASN   8           HA       ASN   8   0.177 -10.266 -10.266
   62   1HB   ASN   8           HB2      ASN   8  -1.709 -11.654 -11.654
   63   2HB   ASN   8           HB3      ASN   8  -2.059 -12.031 -12.031
   64   1HD2  ASN   8           HD2      ASN   8   1.164 -13.823 -13.823
   65   2HD2  ASN   8           HD2      ASN   8   0.609 -12.241 -12.241
   66    H    GLN   9           HN       GLN   9   2.157 -10.604 -10.604
   67    HA   GLN   9           HA       GLN   9   2.040 -11.725 -11.725
   68   1HB   GLN   9           HB2      GLN   9   3.575  -9.371  -9.371
   69   2HB   GLN   9           HB3      GLN   9   4.356 -10.360 -10.360
   70   1HG   GLN   9           HG2      GLN   9   3.214  -9.100  -9.100
   71   2HG   GLN   9           HG3      GLN   9   1.820 -10.067 -10.067
   72   1HE2  GLN   9           HE2      GLN   9   2.338  -6.261  -6.261
   73   2HE2  GLN   9           HE2      GLN   9   3.678  -7.225  -7.225
   74    H    ARG  10           HN       ARG  10   3.402 -13.469 -13.469
   75    HA   ARG  10           HA       ARG  10   5.676 -13.937 -13.937
   76   1HB   ARG  10           HB2      ARG  10   3.304 -14.851 -14.851
   77   2HB   ARG  10           HB3      ARG  10   3.909 -16.284 -16.284
   78   1HG   ARG  10           HG2      ARG  10   5.662 -16.508 -16.508
   79   2HG   ARG  10           HG3      ARG  10   6.050 -14.800 -14.800
   80   1HD   ARG  10           HD2      ARG  10   4.055 -14.365 -14.365
   81   2HD   ARG  10           HD3      ARG  10   3.859 -16.100 -16.100
   82    HE   ARG  10           HE       ARG  10   5.917 -14.467 -14.467
   83   1HH1  ARG  10           HH2      ARG  10   5.181 -17.733 -17.733
   84   2HH1  ARG  10           HH2      ARG  10   6.320 -18.499 -18.499
   85    HH2  ARG  10           HH1      ARG  10   7.626 -17.153 -17.153
   86    H    LYS  11           HN       LYS  11   3.036 -15.474 -15.474
   87    HA   LYS  11           HA       LYS  11   5.117 -16.898 -16.898
   88   1HB   LYS  11           HB2      LYS  11   2.148 -17.486 -17.486
   89   2HB   LYS  11           HB3      LYS  11   3.326 -18.426 -18.426
   90   1HG   LYS  11           HG2      LYS  11   3.609 -17.889 -17.889
   91   2HG   LYS  11           HG3      LYS  11   2.723 -19.268 -19.268
   92   1HD   LYS  11           HD2      LYS  11   4.642 -20.326 -20.326
   93   2HD   LYS  11           HD3      LYS  11   5.491 -18.819 -18.819
   94   1HE   LYS  11           HE2      LYS  11   5.495 -18.564 -18.564
   95   2HE   LYS  11           HE3      LYS  11   5.064 -20.262 -20.262
   96   1HZ   LYS  11           HZ1      LYS  11   7.454 -20.046 -20.046
   97   2HZ   LYS  11           HZ2      LYS  11   7.077 -20.693 -20.693
   98    H    THR  12           HN       THR  12   2.309 -14.679 -14.679
   99    HA   THR  12           HA       THR  12   1.833 -14.524 -14.524
  100    HB   THR  12           HB       THR  12   1.261 -12.131 -12.131
  101    HG1  THR  12           HG1      THR  12   2.573 -12.784 -12.784
  102   1HG2  THR  12           HG2      THR  12   0.443 -14.392 -14.392
  103   2HG2  THR  12           HG2      THR  12   0.480 -12.891 -12.891
  104   3HG2  THR  12           HG2      THR  12  -0.517 -12.984 -12.984
  105    H    VAL  13           HN       VAL  13   4.815 -13.543 -13.543
  106    HA   VAL  13           HA       VAL  13   5.922 -11.838 -11.838
  107    HB   VAL  13           HB       VAL  13   8.098 -12.846 -12.846
  108   1HG1  VAL  13           HG1      VAL  13   6.265 -11.353 -11.353
  109   2HG1  VAL  13           HG1      VAL  13   6.727 -12.646 -12.646
  110   3HG1  VAL  13           HG1      VAL  13   7.978 -11.603 -11.603
  111   1HG2  VAL  13           HG2      VAL  13   6.414 -15.091 -15.091
  112   2HG2  VAL  13           HG2      VAL  13   8.187 -14.963 -14.963
  113   3HG2  VAL  13           HG2      VAL  13   7.192 -14.532 -14.532
  114    H    LYS  14           HN       LYS  14   7.437 -12.128 -12.128
  115    HA   LYS  14           HA       LYS  14   6.829 -14.588 -14.588
  116   1HB   LYS  14           HB2      LYS  14   6.825 -13.316 -13.316
  117   2HB   LYS  14           HB3      LYS  14   5.710 -12.567 -12.567
  118   1HG   LYS  14           HG2      LYS  14   7.891 -11.138 -11.138
  119   2HG   LYS  14           HG3      LYS  14   8.402 -11.586 -11.586
  120   1HD   LYS  14           HD2      LYS  14   5.816 -10.805 -10.805
  121   2HD   LYS  14           HD3      LYS  14   6.184  -9.773  -9.773
  122   1HE   LYS  14           HE2      LYS  14   8.345  -9.923  -9.923
  123   2HE   LYS  14           HE3      LYS  14   6.854  -9.199  -9.199
  124   1HZ   LYS  14           HZ1      LYS  14   7.465  -7.349  -7.349
  125   2HZ   LYS  14           HZ2      LYS  14   7.347  -8.119  -8.119
  126    H    CYS  15           HN       CYS  15   8.544 -15.814 -15.814
  127    HA   CYS  15           HA       CYS  15  11.123 -14.977 -14.977
  128   1HB   CYS  15           HB2      CYS  15  10.411 -17.284 -17.284
  129   2HB   CYS  15           HB3      CYS  15  10.203 -17.455 -17.455
  130    H    PHE  16           HN       PHE  16  12.276 -13.515 -13.515
  131    HA   PHE  16           HA       PHE  16  11.757 -13.327 -13.327
  132   1HB   PHE  16           HB2      PHE  16  12.615 -11.671 -11.671
  133   2HB   PHE  16           HB3      PHE  16  14.042 -11.831 -11.831
  134    HD1  PHE  16           HD2      PHE  16  10.389 -11.395 -11.395
  135    HD2  PHE  16           HD1      PHE  16  14.344 -10.011 -10.011
  136    HE1  PHE  16           HE2      PHE  16   9.505  -9.618  -9.618
  137    HE2  PHE  16           HE1      PHE  16  13.459  -8.234  -8.234
  138   1HZ   PHE  16           HZ       PHE  16  11.050  -8.059  -8.059
  139    H    ASN  17           HN       ASN  17  13.326 -15.636 -15.636
  140    HA   ASN  17           HA       ASN  17  15.784 -15.434 -15.434
  141   1HB   ASN  17           HB2      ASN  17  15.778 -16.055 -16.055
  142   2HB   ASN  17           HB3      ASN  17  14.960 -17.544 -17.544
  143   1HD2  ASN  17           HD2      ASN  17  18.593 -18.228 -18.228
  144   2HD2  ASN  17           HD2      ASN  17  17.329 -17.637 -17.637
  145    H    CYS  18           HN       CYS  18  12.862 -17.474 -17.474
  146    HA   CYS  18           HA       CYS  18  13.608 -19.089 -19.089
  147   1HB   CYS  18           HB2      CYS  18  12.022 -20.764 -20.764
  148   2HB   CYS  18           HB3      CYS  18  13.386 -20.459 -20.459
  149    H    GLY  19           HN       GLY  19  11.035 -17.186 -17.186
  150   1HA   GLY  19           HA1      GLY  19   9.642 -15.738 -15.738
  151   2HA   GLY  19           HA2      GLY  19   9.713 -16.845 -16.845
  152    H    LYS  20           HN       LYS  20   9.334 -18.039 -18.039
  153    HA   LYS  20           HA       LYS  20   6.541 -18.677 -18.677
  154   1HB   LYS  20           HB2      LYS  20   8.768 -20.360 -20.360
  155   2HB   LYS  20           HB3      LYS  20   7.212 -20.600 -20.600
  156   1HG   LYS  20           HG2      LYS  20   6.178 -20.815 -20.815
  157   2HG   LYS  20           HG3      LYS  20   7.796 -20.758 -20.758
  158   1HD   LYS  20           HD2      LYS  20   7.669 -23.045 -23.045
  159   2HD   LYS  20           HD3      LYS  20   8.185 -22.711 -22.711
  160   1HE   LYS  20           HE2      LYS  20   5.627 -22.472 -22.472
  161   2HE   LYS  20           HE3      LYS  20   5.368 -23.269 -23.269
  162   1HZ   LYS  20           HZ1      LYS  20   7.103 -24.414 -24.414
  163   2HZ   LYS  20           HZ2      LYS  20   5.532 -24.808 -24.808
  164    H    GLU  21           HN       GLU  21   4.980 -18.197 -18.197
  165    HA   GLU  21           HA       GLU  21   5.857 -16.428 -16.428
  166   1HB   GLU  21           HB2      GLU  21   3.477 -15.995 -15.995
  167   2HB   GLU  21           HB3      GLU  21   3.823 -15.973 -15.973
  168   1HG   GLU  21           HG2      GLU  21   3.006 -18.317 -18.317
  169   2HG   GLU  21           HG3      GLU  21   2.701 -18.380 -18.380
  170    HE1  GLU  21           HE2      GLU  21   1.103 -17.066 -17.066
  171    H    GLY  22           HN       GLY  22   5.620 -16.735 -16.735
  172   1HA   GLY  22           HA1      GLY  22   4.524 -18.234 -18.234
  173   2HA   GLY  22           HA2      GLY  22   5.231 -19.561 -19.561
  174    H    HIS  23           HN       HIS  23   7.486 -17.196 -17.196
  175    HA   HIS  23           HA       HIS  23   8.680 -17.061 -17.061
  176   1HB   HIS  23           HB2      HIS  23  10.559 -18.519 -18.519
  177   2HB   HIS  23           HB3      HIS  23   9.088 -19.453 -19.453
  178    HD1  HIS  23           HD1      HIS  23   8.413 -20.100 -20.100
  179    HD2  HIS  23           HD2      HIS  23  12.291 -18.604 -18.604
  180    HE1  HIS  23           HE1      HIS  23   9.729 -20.714 -20.714
  181    H    ILE  24           HN       ILE  24  11.153 -16.302 -16.302
  182    HA   ILE  24           HA       ILE  24  10.999 -14.406 -14.406
  183    HB   ILE  24           HB       ILE  24  12.564 -13.038 -13.038
  184   1HG1  ILE  24           HG1      ILE  24  11.821 -15.030 -15.030
  185   2HG1  ILE  24           HG1      ILE  24  13.410 -14.832 -14.832
  186   1HG2  ILE  24           HG2      ILE  24  10.141 -12.588 -12.588
  187   2HG2  ILE  24           HG2      ILE  24   9.860 -13.597 -13.597
  188   3HG2  ILE  24           HG2      ILE  24  10.816 -12.101 -12.101
  189   1HD1  ILE  24           HD1      ILE  24  13.392 -12.413 -12.413
  190   2HD1  ILE  24           HD1      ILE  24  11.870 -12.757 -12.757
  191   3HD1  ILE  24           HD1      ILE  24  13.366 -13.597 -13.597
  192    H    ALA  25           HN       ALA  25  13.203 -13.764 -13.764
  193    HA   ALA  25           HA       ALA  25  14.483 -16.027 -16.027
  194   1HB   ALA  25           HB2      ALA  25  15.308 -13.105 -13.105
  195   2HB   ALA  25           HB3      ALA  25  16.214 -14.332 -14.332
  196   3HB   ALA  25           HB1      ALA  25  14.538 -13.941 -13.941
  197    H    LYS  26           HN       LYS  26  15.274 -13.824 -13.824
  198    HA   LYS  26           HA       LYS  26  17.753 -15.006 -15.006
  199   1HB   LYS  26           HB2      LYS  26  17.001 -12.749 -12.749
  200   2HB   LYS  26           HB3      LYS  26  15.878 -13.503 -13.503
  201   1HG   LYS  26           HG2      LYS  26  17.703 -14.573 -14.573
  202   2HG   LYS  26           HG3      LYS  26  18.876 -14.074 -14.074
  203   1HD   LYS  26           HD2      LYS  26  18.626 -11.733 -11.733
  204   2HD   LYS  26           HD3      LYS  26  17.206 -12.060 -12.060
  205   1HE   LYS  26           HE2      LYS  26  18.676 -12.100 -12.100
  206   2HE   LYS  26           HE3      LYS  26  19.030 -13.729 -13.729
  207   1HZ   LYS  26           HZ1      LYS  26  21.125 -12.909 -12.909
  208   2HZ   LYS  26           HZ2      LYS  26  20.642 -12.271 -12.271
  209    H    ASN  27           HN       ASN  27  14.487 -16.108 -16.108
  210    HA   ASN  27           HA       ASN  27  15.439 -18.098 -18.098
  211   1HB   ASN  27           HB2      ASN  27  13.269 -16.437 -16.437
  212   2HB   ASN  27           HB3      ASN  27  12.494 -17.783 -17.783
  213   1HD2  ASN  27           HD2      ASN  27  14.227 -18.267 -18.267
  214   2HD2  ASN  27           HD2      ASN  27  14.756 -17.039 -17.039
  215    H    CYS  28           HN       CYS  28  15.819 -18.082 -18.082
  216    HA   CYS  28           HA       CYS  28  13.861 -19.960 -19.960
  217   1HB   CYS  28           HB2      CYS  28  14.661 -18.132 -18.132
  218   2HB   CYS  28           HB3      CYS  28  16.294 -18.762 -18.762
  219    H    ARG  29           HN       ARG  29  14.136 -22.152 -22.152
  220    HA   ARG  29           HA       ARG  29  16.809 -23.022 -23.022
  221   1HB   ARG  29           HB2      ARG  29  14.566 -23.491 -23.491
  222   2HB   ARG  29           HB3      ARG  29  14.354 -24.787 -24.787
  223   1HG   ARG  29           HG2      ARG  29  15.937 -26.066 -26.066
  224   2HG   ARG  29           HG3      ARG  29  17.108 -24.762 -24.762
  225   1HD   ARG  29           HD2      ARG  29  15.872 -23.753 -23.753
  226   2HD   ARG  29           HD3      ARG  29  14.966 -25.250 -25.250
  227    HE   ARG  29           HE       ARG  29  17.696 -24.853 -24.853
  228   1HH1  ARG  29           HH2      ARG  29  15.571 -27.284 -27.284
  229   2HH1  ARG  29           HH2      ARG  29  16.499 -28.625 -28.625
  230    HH2  ARG  29           HH1      ARG  29  18.463 -28.213 -28.213
  231    H    ALA  30           HN       ALA  30  14.918 -22.684 -22.684
  232    HA   ALA  30           HA       ALA  30  14.608 -23.802 -23.802
  233   1HB   ALA  30           HB1      ALA  30  16.949 -22.892 -22.892
  234   2HB   ALA  30           HB2      ALA  30  17.538 -24.487 -24.487
  235   3HB   ALA  30           HB3      ALA  30  16.708 -24.319 -24.319
  236    HA   PRO  31           HA       PRO  31  14.067 -27.905 -27.905
  237   1HB   PRO  31           HB2      PRO  31  11.379 -28.122 -28.122
  238   2HB   PRO  31           HB3      PRO  31  12.059 -27.540 -27.540
  239   1HG   PRO  31           HG2      PRO  31  10.760 -26.000 -26.000
  240   2HG   PRO  31           HG3      PRO  31  11.055 -25.525 -25.525
  241   1HD   PRO  31           HD2      PRO  31  12.528 -24.684 -24.684
  242   2HD   PRO  31           HD3      PRO  31  12.892 -24.302 -24.302
  243    H    ARG  32           HN       ARG  32  14.266 -29.861 -29.861
  244    HA   ARG  32           HA       ARG  32  14.817 -29.829 -29.829
  245   1HB   ARG  32           HB2      ARG  32  14.923 -31.711 -31.711
  246   2HB   ARG  32           HB3      ARG  32  13.576 -32.350 -32.350
  247   1HG   ARG  32           HG2      ARG  32  15.048 -32.141 -32.141
  248   2HG   ARG  32           HG3      ARG  32  16.388 -31.771 -31.771
  249   1HD   ARG  32           HD2      ARG  32  14.699 -34.311 -34.311
  250   2HD   ARG  32           HD3      ARG  32  16.232 -34.220 -34.220
  251    HE   ARG  32           HE       ARG  32  16.785 -33.201 -33.201
  252   1HH1  ARG  32           HH2      ARG  32  15.469 -36.246 -36.246
  253   2HH1  ARG  32           HH2      ARG  32  16.070 -37.189 -37.189
  254    HH2  ARG  32           HH1      ARG  32  17.307 -36.110 -36.110
  255    H    LYS  33           HN       LYS  33  13.638 -30.866 -30.866
  256    HA   LYS  33           HA       LYS  33  10.785 -30.240 -30.240
  257   1HB   LYS  33           HB2      LYS  33  12.602 -29.273 -29.273
  258   2HB   LYS  33           HB3      LYS  33  12.093 -30.694 -30.694
  259   1HG   LYS  33           HG2      LYS  33  10.525 -29.101 -29.101
  260   2HG   LYS  33           HG3      LYS  33   9.647 -29.900 -29.900
  261   1HD   LYS  33           HD2      LYS  33   9.346 -27.571 -27.571
  262   2HD   LYS  33           HD3      LYS  33  10.557 -28.076 -28.076
  263   1HE   LYS  33           HE2      LYS  33  11.376 -26.028 -26.028
  264   2HE   LYS  33           HE3      LYS  33  12.348 -27.312 -27.312
  265   1HZ   LYS  33           HZ1      LYS  33  10.837 -27.270 -27.270
  266   2HZ   LYS  33           HZ2      LYS  33  10.030 -26.006 -26.006
  267    H    LYS  34           HN       LYS  34   9.302 -31.684 -31.684
  268    HA   LYS  34           HA       LYS  34   8.465 -33.671 -33.671
  269   1HB   LYS  34           HB2      LYS  34  11.331 -34.062 -34.062
  270   2HB   LYS  34           HB3      LYS  34  10.469 -35.546 -35.546
  271   1HG   LYS  34           HG2      LYS  34   9.328 -35.482 -35.482
  272   2HG   LYS  34           HG3      LYS  34   8.900 -33.795 -33.795
  273   1HD   LYS  34           HD2      LYS  34  11.036 -33.053 -33.053
  274   2HD   LYS  34           HD3      LYS  34  11.692 -34.677 -34.677
  275   1HE   LYS  34           HE2      LYS  34  10.541 -35.356 -35.356
  276   2HE   LYS  34           HE3      LYS  34   9.168 -34.315 -34.315
  277   1HZ   LYS  34           HZ1      LYS  34  10.125 -32.624 -32.624
  278   2HZ   LYS  34           HZ2      LYS  34  11.620 -32.882 -32.882
  279    H    GLY  35           HN       GLY  35   7.708 -33.262 -33.262
  280   1HA   GLY  35           HA1      GLY  35   9.000 -34.828 -34.828
  281   2HA   GLY  35           HA2      GLY  35   7.549 -33.856 -33.856
  282    H    CYS  36           HN       CYS  36   8.114 -36.679 -36.679
  283    HA   CYS  36           HA       CYS  36   6.864 -38.496 -38.496
  284   1HB   CYS  36           HB2      CYS  36   8.302 -39.017 -39.017
  285   2HB   CYS  36           HB3      CYS  36   6.966 -38.576 -38.576
  286    H    TRP  37           HN       TRP  37   4.760 -38.438 -38.438
  287    HA   TRP  37           HA       TRP  37   2.829 -36.923 -36.923
  288   1HB   TRP  37           HB2      TRP  37   3.026 -37.916 -37.916
  289   2HB   TRP  37           HB3      TRP  37   1.428 -37.686 -37.686
  290    HD1  TRP  37           HD1      TRP  37   1.194 -35.010 -35.010
  291    HE1  TRP  37           HE1      TRP  37   1.858 -32.678 -32.678
  292    HE3  TRP  37           HE3      TRP  37   4.460 -36.875 -36.875
  293    HZ2  TRP  37           HZ2      TRP  37   3.635 -31.892 -31.892
  294    HZ3  TRP  37           HZ3      TRP  37   5.618 -35.258 -35.258
  295    HH2  TRP  37           HH2      TRP  37   5.250 -32.844 -32.844
  296    H    LYS  38           HN       LYS  38   4.125 -39.761 -39.761
  297    HA   LYS  38           HA       LYS  38   1.610 -41.257 -41.257
  298   1HB   LYS  38           HB2      LYS  38   3.724 -42.174 -42.174
  299   2HB   LYS  38           HB3      LYS  38   4.374 -42.385 -42.385
  300   1HG   LYS  38           HG2      LYS  38   1.618 -43.453 -43.453
  301   2HG   LYS  38           HG3      LYS  38   3.057 -44.373 -44.373
  302   1HD   LYS  38           HD2      LYS  38   3.469 -44.919 -44.919
  303   2HD   LYS  38           HD3      LYS  38   3.023 -43.330 -43.330
  304   1HE   LYS  38           HE2      LYS  38   0.915 -45.271 -45.271
  305   2HE   LYS  38           HE3      LYS  38   1.486 -45.348 -45.348
  306   1HZ   LYS  38           HZ1      LYS  38  -0.489 -43.901 -43.901
  307   2HZ   LYS  38           HZ2      LYS  38   0.771 -43.068 -43.068
  308    H    CYS  39           HN       CYS  39   4.453 -40.113 -40.113
  309    HA   CYS  39           HA       CYS  39   2.938 -40.793 -40.793
  310   1HB   CYS  39           HB2      CYS  39   5.157 -40.505 -40.505
  311   2HB   CYS  39           HB3      CYS  39   4.998 -41.895 -41.895
  312    H    GLY  40           HN       GLY  40   4.335 -38.259 -38.259
  313   1HA   GLY  40           HA1      GLY  40   3.528 -36.056 -36.056
  314   2HA   GLY  40           HA2      GLY  40   3.208 -36.237 -36.237
  315    H    LYS  41           HN       LYS  41   6.148 -37.767 -37.767
  316    HA   LYS  41           HA       LYS  41   7.580 -35.706 -35.706
  317   1HB   LYS  41           HB2      LYS  41   7.850 -38.399 -38.399
  318   2HB   LYS  41           HB3      LYS  41   9.071 -37.886 -37.886
  319   1HG   LYS  41           HG2      LYS  41  10.419 -37.635 -37.635
  320   2HG   LYS  41           HG3      LYS  41   9.549 -36.137 -36.137
  321   1HD   LYS  41           HD2      LYS  41   7.884 -38.148 -38.148
  322   2HD   LYS  41           HD3      LYS  41   9.510 -38.597 -38.597
  323   1HE   LYS  41           HE2      LYS  41   9.143 -37.103 -37.103
  324   2HE   LYS  41           HE3      LYS  41   9.634 -35.919 -35.919
  325   1HZ   LYS  41           HZ1      LYS  41   6.888 -36.602 -36.602
  326   2HZ   LYS  41           HZ2      LYS  41   7.581 -35.131 -35.131
  327    H    GLU  42           HN       GLU  42   7.994 -33.797 -33.797
  328    HA   GLU  42           HA       GLU  42   8.288 -33.688 -33.688
  329   1HB   GLU  42           HB2      GLU  42   8.683 -31.279 -31.279
  330   2HB   GLU  42           HB3      GLU  42   7.295 -31.831 -31.831
  331   1HG   GLU  42           HG2      GLU  42   9.588 -32.221 -32.221
  332   2HG   GLU  42           HG3      GLU  42   9.748 -30.623 -30.623
  333    HE1  GLU  42           HE2      GLU  42   7.503 -32.299 -32.299
  334    H    GLY  43           HN       GLY  43  10.084 -35.377 -35.377
  335   1HA   GLY  43           HA1      GLY  43  12.596 -34.067 -34.067
  336   2HA   GLY  43           HA2      GLY  43  12.588 -35.061 -35.061
  337    H    HIS  44           HN       HIS  44  11.612 -37.382 -37.382
  338    HA   HIS  44           HA       HIS  44  13.041 -38.507 -38.507
  339   1HB   HIS  44           HB2      HIS  44  12.765 -40.573 -40.573
  340   2HB   HIS  44           HB3      HIS  44  12.995 -39.418 -39.418
  341    HD1  HIS  44           HD1      HIS  44  11.437 -39.789 -39.789
  342    HD2  HIS  44           HD2      HIS  44   9.724 -40.907 -40.907
  343    HE1  HIS  44           HE1      HIS  44   9.113 -40.691 -40.691
  344    H    GLN  45           HN       GLN  45  11.888 -40.363 -40.363
  345    HA   GLN  45           HA       GLN  45   9.248 -39.352 -39.352
  346   1HB   GLN  45           HB2      GLN  45  11.126 -40.822 -40.822
  347   2HB   GLN  45           HB3      GLN  45   9.690 -39.908 -39.908
  348   1HG   GLN  45           HG2      GLN  45  10.742 -37.804 -37.804
  349   2HG   GLN  45           HG3      GLN  45  12.066 -38.590 -38.590
  350   1HE2  GLN  45           HE2      GLN  45  13.525 -37.589 -37.589
  351   2HE2  GLN  45           HE2      GLN  45  12.981 -36.925 -36.925
  352    H    MET  46           HN       MET  46   7.969 -41.200 -41.200
  353    HA   MET  46           HA       MET  46   7.441 -43.173 -43.173
  354   1HB   MET  46           HB2      MET  46   6.060 -44.147 -44.147
  355   2HB   MET  46           HB3      MET  46   5.920 -42.401 -42.401
  356   1HG   MET  46           HG2      MET  46   7.823 -42.401 -42.401
  357   2HG   MET  46           HG3      MET  46   7.627 -44.140 -44.140
  358   1HE   MET  46           HE1      MET  46   7.359 -41.515 -41.515
  359   2HE   MET  46           HE2      MET  46   6.888 -42.775 -42.775
  360   3HE   MET  46           HE3      MET  46   5.805 -41.396 -41.396
  361    H    LYS  47           HN       LYS  47   9.457 -43.283 -43.283
  362    HA   LYS  47           HA       LYS  47  10.031 -46.032 -46.032
  363   1HB   LYS  47           HB2      LYS  47  10.180 -44.522 -44.522
  364   2HB   LYS  47           HB3      LYS  47  11.702 -43.940 -43.940
  365   1HG   LYS  47           HG2      LYS  47  11.502 -46.893 -46.893
  366   2HG   LYS  47           HG3      LYS  47  11.359 -46.223 -46.223
  367   1HD   LYS  47           HD2      LYS  47  13.592 -45.846 -45.846
  368   2HD   LYS  47           HD3      LYS  47  13.487 -44.810 -44.810
  369   1HE   LYS  47           HE2      LYS  47  14.798 -46.399 -46.399
  370   2HE   LYS  47           HE3      LYS  47  13.295 -47.278 -47.278
  371   1HZ   LYS  47           HZ1      LYS  47  14.206 -47.818 -47.818
  372   2HZ   LYS  47           HZ2      LYS  47  15.503 -47.982 -47.982
  373    H    ASP  48           HN       ASP  48  11.090 -43.232 -43.232
  374    HA   ASP  48           HA       ASP  48  13.332 -44.801 -44.801
  375   1HB   ASP  48           HB2      ASP  48  13.507 -42.338 -42.338
  376   2HB   ASP  48           HB3      ASP  48  13.124 -41.842 -41.842
  377    HD1  ASP  48           HD2      ASP  48  14.501 -42.984 -42.984
  378    H    CYS  49           HN       CYS  49  10.345 -44.740 -44.740
  379    HA   CYS  49           HA       CYS  49  10.261 -43.371 -43.371
  380   1HB   CYS  49           HB2      CYS  49   8.259 -43.515 -43.515
  381   2HB   CYS  49           HB3      CYS  49   8.267 -45.263 -45.263
  382    H    THR  50           HN       THR  50  11.421 -44.241 -44.241
  383    HA   THR  50           HA       THR  50  11.893 -47.101 -47.101
  384    HB   THR  50           HB       THR  50  13.651 -45.305 -45.305
  385    HG1  THR  50           HG1      THR  50  12.742 -47.204 -47.204
  386   1HG2  THR  50           HG2      THR  50  11.785 -44.891 -44.891
  387   2HG2  THR  50           HG2      THR  50  13.537 -44.619 -44.619
  388   3HG2  THR  50           HG2      THR  50  12.592 -43.658 -43.658
  389    H    GLU  51           HN       GLU  51   9.224 -45.370 -45.370
  390    HA   GLU  51           HA       GLU  51   8.662 -47.004 -47.004
  391   1HB   GLU  51           HB2      GLU  51   7.198 -45.256 -45.256
  392   2HB   GLU  51           HB3      GLU  51   8.768 -44.552 -44.552
  393   1HG   GLU  51           HG2      GLU  51   8.004 -43.492 -43.492
  394   2HG   GLU  51           HG3      GLU  51   6.574 -44.501 -44.501
  395    HE1  GLU  51           HE2      GLU  51   5.536 -43.528 -43.528
  396    H    ARG  52           HN       ARG  52   6.256 -47.552 -47.552
  397    HA   ARG  52           HA       ARG  52   4.466 -48.476 -48.476
  398   1HB   ARG  52           HB2      ARG  52   4.146 -46.081 -46.081
  399   2HB   ARG  52           HB3      ARG  52   4.663 -46.717 -46.717
  400   1HG   ARG  52           HG2      ARG  52   2.583 -48.387 -48.387
  401   2HG   ARG  52           HG3      ARG  52   2.045 -46.744 -46.744
  402   1HD   ARG  52           HD2      ARG  52   2.016 -47.020 -47.020
  403   2HD   ARG  52           HD3      ARG  52   3.537 -47.890 -47.890
  404    HE   ARG  52           HE       ARG  52   2.374 -49.941 -49.941
  405   1HH1  ARG  52           HH2      ARG  52   0.143 -47.200 -47.200
  406   2HH1  ARG  52           HH2      ARG  52  -1.277 -48.185 -48.185
  407    HH2  ARG  52           HH1      ARG  52  -1.042 -50.557 -50.557
  408    H    GLN  53           HN       GLN  53   4.447 -50.570 -50.570
  409    HA   GLN  53           HA       GLN  53   5.628 -51.024 -51.024
  410   1HB   GLN  53           HB2      GLN  53   7.019 -51.701 -51.701
  411   2HB   GLN  53           HB3      GLN  53   6.085 -53.167 -53.167
  412   1HG   GLN  53           HG2      GLN  53   6.980 -52.542 -52.542
  413   2HG   GLN  53           HG3      GLN  53   8.347 -52.137 -52.137
  414   1HE2  GLN  53           HE2      GLN  53   7.576 -55.936 -55.936
  415   2HE2  GLN  53           HE2      GLN  53   6.930 -54.522 -54.522
  416    H    ALA  54           HN       ALA  54   4.721 -52.871 -52.871
  417    HA   ALA  54           HA       ALA  54   2.518 -54.241 -54.241
  418   1HB   ALA  54           HB2      ALA  54   2.221 -52.055 -52.055
  419   2HB   ALA  54           HB3      ALA  54   1.341 -53.545 -53.545
  420   3HB   ALA  54           HB1      ALA  54   1.036 -52.737 -52.737
  421    H    ASN  55           HN       ASN  55   3.984 -53.594 -53.594
  422    HA   ASN  55           HA       ASN  55   4.688 -54.930 -54.930
  423   1HB   ASN  55           HB2      ASN  55   6.351 -55.558 -55.558
  424   2HB   ASN  55           HB3      ASN  55   5.309 -56.889 -56.889
  425   1HD2  ASN  55           HD2      ASN  55   7.767 -57.065 -57.065
  426   2HD2  ASN  55           HD2      ASN  55   7.562 -55.644 -55.644

  Start of MODEL   19
    1    H    MET   1           HN       MET   1   1.884   0.000   0.000
    2    HA   MET   1           HA       MET   1   1.475  -0.581  -0.581
    3   1HB   MET   1           HB2      MET   1   2.234   2.119   2.119
    4   2HB   MET   1           HB3      MET   1   3.237   1.547   1.547
    5   1HG   MET   1           HG2      MET   1   0.635   0.934   0.934
    6   2HG   MET   1           HG3      MET   1   0.431   2.471   2.471
    7   1HE   MET   1           HE1      MET   1   1.159   0.554   0.554
    8   2HE   MET   1           HE2      MET   1   1.069   1.824   1.824
    9   3HE   MET   1           HE3      MET   1   2.641   1.112   1.112
   10    H    GLN   2           HN       GLN   2   3.411  -1.366  -1.366
   11    HA   GLN   2           HA       GLN   2   5.627  -1.717  -1.717
   12   1HB   GLN   2           HB2      GLN   2   5.982  -3.954  -3.954
   13   2HB   GLN   2           HB3      GLN   2   4.690  -3.879  -3.879
   14   1HG   GLN   2           HG2      GLN   2   3.017  -3.507  -3.507
   15   2HG   GLN   2           HG3      GLN   2   4.268  -3.369  -3.369
   16   1HE2  GLN   2           HE2      GLN   2   2.610  -6.877  -6.877
   17   2HE2  GLN   2           HE2      GLN   2   1.949  -5.298  -5.298
   18    H    LYS   3           HN       LYS   3   6.904  -0.030  -0.030
   19    HA   LYS   3           HA       LYS   3   8.032   1.150   1.150
   20   1HB   LYS   3           HB2      LYS   3   9.711  -0.249  -0.249
   21   2HB   LYS   3           HB3      LYS   3   9.640  -0.527  -0.527
   22   1HG   LYS   3           HG2      LYS   3   8.303  -2.559  -2.559
   23   2HG   LYS   3           HG3      LYS   3   8.130  -2.239  -2.239
   24   1HD   LYS   3           HD2      LYS   3   9.874  -3.869  -3.869
   25   2HD   LYS   3           HD3      LYS   3  10.695  -2.355  -2.355
   26   1HE   LYS   3           HE2      LYS   3  11.763  -2.370  -2.370
   27   2HE   LYS   3           HE3      LYS   3  10.306  -2.812  -2.812
   28   1HZ   LYS   3           HZ1      LYS   3  10.960  -4.952  -4.952
   29   2HZ   LYS   3           HZ2      LYS   3  11.250  -4.987  -4.987
   30    H    GLY   4           HN       GLY   4   6.016   1.926   1.926
   31   1HA   GLY   4           HA1      GLY   4   4.569   2.138   2.138
   32   2HA   GLY   4           HA2      GLY   4   6.056   2.107   2.107
   33    H    ASN   5           HN       ASN   5   6.635   0.262   0.262
   34    HA   ASN   5           HA       ASN   5   4.757  -1.190  -1.190
   35   1HB   ASN   5           HB2      ASN   5   7.026  -1.359  -1.359
   36   2HB   ASN   5           HB3      ASN   5   7.618  -1.957  -1.957
   37   1HD2  ASN   5           HD2      ASN   5   7.641  -5.021  -5.021
   38   2HD2  ASN   5           HD2      ASN   5   8.561  -3.613  -3.613
   39    H    PHE   6           HN       PHE   6   3.173  -2.540  -2.540
   40    HA   PHE   6           HA       PHE   6   3.405  -3.586  -3.586
   41   1HB   PHE   6           HB2      PHE   6   1.542  -3.613  -3.613
   42   2HB   PHE   6           HB3      PHE   6   1.347  -4.961  -4.961
   43    HD1  PHE   6           HD2      PHE   6   1.069  -4.349  -4.349
   44    HD2  PHE   6           HD1      PHE   6   0.461  -1.606  -1.606
   45    HE1  PHE   6           HE2      PHE   6  -0.332  -2.912  -2.912
   46    HE2  PHE   6           HE1      PHE   6  -0.941  -0.169  -0.169
   47   1HZ   PHE   6           HZ       PHE   6  -1.320  -0.840  -0.840
   48    H    ARG   7           HN       ARG   7   2.990  -5.320  -5.320
   49    HA   ARG   7           HA       ARG   7   5.121  -6.959  -6.959
   50   1HB   ARG   7           HB2      ARG   7   3.953  -9.134  -9.134
   51   2HB   ARG   7           HB3      ARG   7   4.308  -7.977  -7.977
   52   1HG   ARG   7           HG2      ARG   7   1.845  -7.073  -7.073
   53   2HG   ARG   7           HG3      ARG   7   1.648  -8.722  -8.722
   54   1HD   ARG   7           HD2      ARG   7   1.964  -9.641  -9.641
   55   2HD   ARG   7           HD3      ARG   7   2.829  -8.235  -8.235
   56    HE   ARG   7           HE       ARG   7   0.769  -7.116  -7.116
   57   1HH1  ARG   7           HH2      ARG   7   0.225 -10.208 -10.208
   58   2HH1  ARG   7           HH2      ARG   7  -1.484 -10.200 -10.200
   59    HH2  ARG   7           HH1      ARG   7  -2.468  -8.366  -8.366
   60    H    ASN   8           HN       ASN   8   1.583  -6.852  -6.852
   61    HA   ASN   8           HA       ASN   8   1.517  -8.719  -8.719
   62   1HB   ASN   8           HB2      ASN   8  -0.417  -7.180  -7.180
   63   2HB   ASN   8           HB3      ASN   8  -0.590  -7.868  -7.868
   64   1HD2  ASN   8           HD2      ASN   8  -0.324  -4.871  -4.871
   65   2HD2  ASN   8           HD2      ASN   8  -0.259  -6.601  -6.601
   66    H    GLN   9           HN       GLN   9   1.995  -5.111  -5.111
   67    HA   GLN   9           HA       GLN   9   2.982  -3.835  -3.835
   68   1HB   GLN   9           HB2      GLN   9   4.369  -6.441  -6.441
   69   2HB   GLN   9           HB3      GLN   9   4.596  -5.148  -5.148
   70   1HG   GLN   9           HG2      GLN   9   4.940  -4.624  -4.624
   71   2HG   GLN   9           HG3      GLN   9   6.245  -5.330  -5.330
   72   1HE2  GLN   9           HE2      GLN   9   5.573  -1.372  -1.372
   73   2HE2  GLN   9           HE2      GLN   9   4.867  -2.519  -2.519
   74    H    ARG  10           HN       ARG  10   0.870  -3.359  -3.359
   75    HA   ARG  10           HA       ARG  10   0.822  -3.727  -3.727
   76   1HB   ARG  10           HB2      ARG  10  -1.217  -5.133  -5.133
   77   2HB   ARG  10           HB3      ARG  10   0.065  -6.030  -6.030
   78   1HG   ARG  10           HG2      ARG  10  -0.956  -5.447  -5.447
   79   2HG   ARG  10           HG3      ARG  10  -2.272  -4.647  -4.647
   80   1HD   ARG  10           HD2      ARG  10  -3.236  -6.641  -6.641
   81   2HD   ARG  10           HD3      ARG  10  -1.694  -7.455  -7.455
   82    HE   ARG  10           HE       ARG  10  -2.470  -6.817  -6.817
   83   1HH1  ARG  10           HH2      ARG  10  -2.418  -9.254  -9.254
   84   2HH1  ARG  10           HH2      ARG  10  -2.627 -10.586 -10.586
   85    HH2  ARG  10           HH1      ARG  10  -2.818 -10.163 -10.163
   86    H    LYS  11           HN       LYS  11  -1.285  -2.751  -2.751
   87    HA   LYS  11           HA       LYS  11  -2.135  -0.620  -0.620
   88   1HB   LYS  11           HB2      LYS  11  -1.966  -0.992  -0.992
   89   2HB   LYS  11           HB3      LYS  11  -3.190   0.098   0.098
   90   1HG   LYS  11           HG2      LYS  11  -1.419   1.309   1.309
   91   2HG   LYS  11           HG3      LYS  11  -0.206   0.239   0.239
   92   1HD   LYS  11           HD2      LYS  11  -1.760   1.281   1.281
   93   2HD   LYS  11           HD3      LYS  11  -1.328   2.631   2.631
   94   1HE   LYS  11           HE2      LYS  11   0.453   2.316   2.316
   95   2HE   LYS  11           HE3      LYS  11   1.076   1.882   1.882
   96   1HZ   LYS  11           HZ1      LYS  11   0.636  -0.466  -0.466
   97   2HZ   LYS  11           HZ2      LYS  11   0.082  -0.054  -0.054
   98    H    THR  12           HN       THR  12  -3.491  -3.193  -3.193
   99    HA   THR  12           HA       THR  12  -6.149  -2.762  -2.762
  100    HB   THR  12           HB       THR  12  -4.456  -5.293  -5.293
  101    HG1  THR  12           HG1      THR  12  -4.817  -3.528  -3.528
  102   1HG2  THR  12           HG2      THR  12  -7.500  -5.008  -5.008
  103   2HG2  THR  12           HG2      THR  12  -6.566  -6.447  -6.447
  104   3HG2  THR  12           HG2      THR  12  -6.642  -5.959  -5.959
  105    H    VAL  13           HN       VAL  13  -4.095  -4.771  -4.771
  106    HA   VAL  13           HA       VAL  13  -4.489  -5.479  -5.479
  107    HB   VAL  13           HB       VAL  13  -4.935  -3.775  -3.775
  108   1HG1  VAL  13           HG1      VAL  13  -3.400  -2.843  -2.843
  109   2HG1  VAL  13           HG1      VAL  13  -3.494  -1.860  -1.860
  110   3HG1  VAL  13           HG1      VAL  13  -2.779  -3.490  -3.490
  111   1HG2  VAL  13           HG2      VAL  13  -6.997  -2.918  -2.918
  112   2HG2  VAL  13           HG2      VAL  13  -6.025  -1.732  -1.732
  113   3HG2  VAL  13           HG2      VAL  13  -5.851  -1.865  -1.865
  114    H    LYS  14           HN       LYS  14  -6.403  -5.342  -5.342
  115    HA   LYS  14           HA       LYS  14  -8.954  -5.774  -5.774
  116   1HB   LYS  14           HB2      LYS  14  -9.166  -7.876  -7.876
  117   2HB   LYS  14           HB3      LYS  14  -8.293  -7.987  -7.987
  118   1HG   LYS  14           HG2      LYS  14  -6.144  -7.504  -7.504
  119   2HG   LYS  14           HG3      LYS  14  -7.088  -7.666  -7.666
  120   1HD   LYS  14           HD2      LYS  14  -7.838  -9.981  -9.981
  121   2HD   LYS  14           HD3      LYS  14  -6.491  -9.792  -9.792
  122   1HE   LYS  14           HE2      LYS  14  -5.731  -9.212  -9.212
  123   2HE   LYS  14           HE3      LYS  14  -6.356 -10.838 -10.838
  124   1HZ   LYS  14           HZ1      LYS  14  -3.833 -10.219 -10.219
  125   2HZ   LYS  14           HZ2      LYS  14  -4.597 -11.421 -11.421
  126    H    CYS  15           HN       CYS  15 -10.737  -5.174  -5.174
  127    HA   CYS  15           HA       CYS  15 -10.059  -3.670  -3.670
  128   1HB   CYS  15           HB2      CYS  15 -11.505  -2.673  -2.673
  129   2HB   CYS  15           HB3      CYS  15 -12.670  -3.966  -3.966
  130    H    PHE  16           HN       PHE  16 -10.076  -4.686  -4.686
  131    HA   PHE  16           HA       PHE  16 -11.432  -7.217  -7.217
  132   1HB   PHE  16           HB2      PHE  16  -9.090  -6.459  -6.459
  133   2HB   PHE  16           HB3      PHE  16  -9.972  -5.504  -5.504
  134    HD1  PHE  16           HD1      PHE  16  -9.420  -8.973  -8.973
  135    HD2  PHE  16           HD2      PHE  16 -10.814  -6.489  -6.489
  136    HE1  PHE  16           HE1      PHE  16  -9.565 -10.970 -10.970
  137    HE2  PHE  16           HE2      PHE  16 -10.959  -8.486  -8.486
  138   1HZ   PHE  16           HZ       PHE  16 -10.333 -10.703 -10.703
  139    H    ASN  17           HN       ASN  17 -12.751  -4.319  -4.319
  140    HA   ASN  17           HA       ASN  17 -14.233  -4.540  -4.540
  141   1HB   ASN  17           HB2      ASN  17 -13.175  -2.309  -2.309
  142   2HB   ASN  17           HB3      ASN  17 -14.314  -2.283  -2.283
  143   1HD2  ASN  17           HD2      ASN  17 -17.174  -1.488  -1.488
  144   2HD2  ASN  17           HD2      ASN  17 -16.548  -2.147  -2.147
  145    H    CYS  18           HN       CYS  18 -14.597  -4.025  -4.025
  146    HA   CYS  18           HA       CYS  18 -17.376  -4.878  -4.878
  147   1HB   CYS  18           HB2      CYS  18 -17.523  -4.071  -4.071
  148   2HB   CYS  18           HB3      CYS  18 -17.239  -2.843  -2.843
  149    H    GLY  19           HN       GLY  19 -14.147  -5.681  -5.681
  150   1HA   GLY  19           HA1      GLY  19 -13.489  -7.896  -7.896
  151   2HA   GLY  19           HA2      GLY  19 -15.146  -8.345  -8.345
  152    H    LYS  20           HN       LYS  20 -14.684  -5.371  -5.371
  153    HA   LYS  20           HA       LYS  20 -14.439  -6.652  -6.652
  154   1HB   LYS  20           HB2      LYS  20 -15.682  -4.318  -4.318
  155   2HB   LYS  20           HB3      LYS  20 -14.489  -3.776  -3.776
  156   1HG   LYS  20           HG2      LYS  20 -15.409  -5.358  -5.358
  157   2HG   LYS  20           HG3      LYS  20 -16.588  -5.932  -5.932
  158   1HD   LYS  20           HD2      LYS  20 -17.735  -4.306  -4.306
  159   2HD   LYS  20           HD3      LYS  20 -17.440  -3.526  -3.526
  160   1HE   LYS  20           HE2      LYS  20 -16.092  -1.942  -1.942
  161   2HE   LYS  20           HE3      LYS  20 -15.180  -3.136  -3.136
  162   1HZ   LYS  20           HZ1      LYS  20 -17.469  -1.581  -1.581
  163   2HZ   LYS  20           HZ2      LYS  20 -16.249  -2.190  -2.190
  164    H    GLU  21           HN       GLU  21 -12.761  -6.332  -6.332
  165    HA   GLU  21           HA       GLU  21 -10.265  -5.705  -5.705
  166   1HB   GLU  21           HB2      GLU  21  -9.234  -6.689  -6.689
  167   2HB   GLU  21           HB3      GLU  21 -10.497  -7.751  -7.751
  168   1HG   GLU  21           HG2      GLU  21 -11.683  -7.563  -7.563
  169   2HG   GLU  21           HG3      GLU  21 -11.608  -5.813  -5.813
  170    HE2  GLU  21           HE2      GLU  21  -9.923  -6.121  -6.121
  171    H    GLY  22           HN       GLY  22  -8.703  -4.169  -4.169
  172   1HA   GLY  22           HA1      GLY  22  -8.320  -2.532  -2.532
  173   2HA   GLY  22           HA2      GLY  22 -10.001  -2.064  -2.064
  174    H    HIS  23           HN       HIS  23  -9.918  -2.444  -2.444
  175    HA   HIS  23           HA       HIS  23  -8.089  -0.303  -0.303
  176   1HB   HIS  23           HB2      HIS  23  -9.775   1.004   1.004
  177   2HB   HIS  23           HB3      HIS  23 -10.260   0.743   0.743
  178    HD1  HIS  23           HD1      HIS  23 -12.131  -1.237  -1.237
  179    HD2  HIS  23           HD2      HIS  23 -11.653   0.269   0.269
  180    HE1  HIS  23           HE1      HIS  23 -14.222  -1.919  -1.919
  181    H    ILE  24           HN       ILE  24  -8.209  -0.028  -0.028
  182    HA   ILE  24           HA       ILE  24  -8.299  -2.756  -2.756
  183    HB   ILE  24           HB       ILE  24  -6.730  -1.721  -1.721
  184   1HG1  ILE  24           HG1      ILE  24  -6.399   0.346   0.346
  185   2HG1  ILE  24           HG1      ILE  24  -7.151   0.637   0.637
  186   1HG2  ILE  24           HG2      ILE  24  -6.243  -2.746  -2.746
  187   2HG2  ILE  24           HG2      ILE  24  -4.901  -1.748  -1.748
  188   3HG2  ILE  24           HG2      ILE  24  -5.463  -3.154  -3.154
  189   1HD1  ILE  24           HD1      ILE  24  -4.696  -0.591  -0.591
  190   2HD1  ILE  24           HD1      ILE  24  -4.308   0.522   0.522
  191   3HD1  ILE  24           HD1      ILE  24  -5.087   1.140   1.140
  192    H    ALA  25           HN       ALA  25  -8.797  -2.812  -2.812
  193    HA   ALA  25           HA       ALA  25 -11.345  -1.752  -1.752
  194   1HB   ALA  25           HB1      ALA  25  -9.270  -3.144  -3.144
  195   2HB   ALA  25           HB2      ALA  25 -10.664  -2.401  -2.401
  196   3HB   ALA  25           HB3      ALA  25 -10.923  -3.654  -3.654
  197    H    LYS  26           HN       LYS  26  -8.073  -0.630  -0.630
  198    HA   LYS  26           HA       LYS  26  -9.007   1.441   1.441
  199   1HB   LYS  26           HB2      LYS  26  -6.742   0.452   0.452
  200   2HB   LYS  26           HB3      LYS  26  -6.359   1.151   1.151
  201   1HG   LYS  26           HG2      LYS  26  -6.700   3.431   3.431
  202   2HG   LYS  26           HG3      LYS  26  -7.238   2.788   2.788
  203   1HD   LYS  26           HD2      LYS  26  -5.066   2.947   2.947
  204   2HD   LYS  26           HD3      LYS  26  -4.779   1.523   1.523
  205   1HE   LYS  26           HE2      LYS  26  -3.682   2.708   2.708
  206   2HE   LYS  26           HE3      LYS  26  -4.808   4.049   4.049
  207   1HZ   LYS  26           HZ1      LYS  26  -2.863   3.612   3.612
  208   2HZ   LYS  26           HZ2      LYS  26  -2.442   4.450   4.450
  209    H    ASN  27           HN       ASN  27  -8.975   0.989   0.989
  210    HA   ASN  27           HA       ASN  27  -9.324   3.862   3.862
  211   1HB   ASN  27           HB2      ASN  27  -7.514   2.463   2.463
  212   2HB   ASN  27           HB3      ASN  27  -8.876   1.884   1.884
  213   1HD2  ASN  27           HD2      ASN  27  -7.565   5.794   5.794
  214   2HD2  ASN  27           HD2      ASN  27  -7.109   4.737   4.737
  215    H    CYS  28           HN       CYS  28 -11.318   1.786   1.786
  216    HA   CYS  28           HA       CYS  28 -13.067   1.382   1.382
  217   1HB   CYS  28           HB2      CYS  28 -12.795  -0.346  -0.346
  218   2HB   CYS  28           HB3      CYS  28 -13.498   0.751   0.751
  219    H    ARG  29           HN       ARG  29 -14.380   3.033   3.033
  220    HA   ARG  29           HA       ARG  29 -14.768   5.280   5.280
  221   1HB   ARG  29           HB2      ARG  29 -14.547   5.293   5.293
  222   2HB   ARG  29           HB3      ARG  29 -16.167   4.628   4.628
  223   1HG   ARG  29           HG2      ARG  29 -17.139   6.591   6.591
  224   2HG   ARG  29           HG3      ARG  29 -15.576   7.190   7.190
  225   1HD   ARG  29           HD2      ARG  29 -14.976   7.226   7.226
  226   2HD   ARG  29           HD3      ARG  29 -16.705   7.101   7.101
  227    HE   ARG  29           HE       ARG  29 -16.611   9.168   9.168
  228   1HH1  ARG  29           HH2      ARG  29 -14.709   8.554   8.554
  229   2HH1  ARG  29           HH2      ARG  29 -14.461  10.233  10.233
  230    HH2  ARG  29           HH1      ARG  29 -15.396  11.880  11.880
  231    H    ALA  30           HN       ALA  30 -16.118   2.264   2.264
  232    HA   ALA  30           HA       ALA  30 -18.890   2.888   2.888
  233   1HB   ALA  30           HB1      ALA  30 -17.759   0.640   0.640
  234   2HB   ALA  30           HB2      ALA  30 -17.486   0.504   0.504
  235   3HB   ALA  30           HB3      ALA  30 -19.145   0.600   0.600
  236    HA   PRO  31           HA       PRO  31 -19.144   4.279   4.279
  237   1HB   PRO  31           HB2      PRO  31 -21.711   3.616   3.616
  238   2HB   PRO  31           HB3      PRO  31 -21.303   5.021   5.021
  239   1HG   PRO  31           HG2      PRO  31 -22.467   2.448   2.448
  240   2HG   PRO  31           HG3      PRO  31 -22.446   3.986   3.986
  241   1HD   PRO  31           HD2      PRO  31 -20.783   1.712   1.712
  242   2HD   PRO  31           HD3      PRO  31 -20.684   3.287   3.287
  243    H    ARG  32           HN       ARG  32 -20.003   3.631   3.631
  244    HA   ARG  32           HA       ARG  32 -19.750   0.825   0.825
  245   1HB   ARG  32           HB2      ARG  32 -17.375   2.379   2.379
  246   2HB   ARG  32           HB3      ARG  32 -17.802   2.120   2.120
  247   1HG   ARG  32           HG2      ARG  32 -17.929  -0.328  -0.328
  248   2HG   ARG  32           HG3      ARG  32 -17.606  -0.106  -0.106
  249   1HD   ARG  32           HD2      ARG  32 -15.349   0.269   0.269
  250   2HD   ARG  32           HD3      ARG  32 -15.603   1.158   1.158
  251    HE   ARG  32           HE       ARG  32 -15.302  -1.770  -1.770
  252   1HH1  ARG  32           HH2      ARG  32 -16.173   0.930   0.930
  253   2HH1  ARG  32           HH2      ARG  32 -15.945   0.020   0.020
  254    HH2  ARG  32           HH1      ARG  32 -15.255  -2.271  -2.271
  255    H    LYS  33           HN       LYS  33 -19.377   4.030   4.030
  256    HA   LYS  33           HA       LYS  33 -20.577   3.152   3.152
  257   1HB   LYS  33           HB2      LYS  33 -20.099   5.913   5.913
  258   2HB   LYS  33           HB3      LYS  33 -20.739   5.633   5.633
  259   1HG   LYS  33           HG2      LYS  33 -18.722   4.349   4.349
  260   2HG   LYS  33           HG3      LYS  33 -18.095   4.479   4.479
  261   1HD   LYS  33           HD2      LYS  33 -16.957   6.224   6.224
  262   2HD   LYS  33           HD3      LYS  33 -18.303   7.077   7.077
  263   1HE   LYS  33           HE2      LYS  33 -19.511   6.477   6.477
  264   2HE   LYS  33           HE3      LYS  33 -17.861   6.351   6.351
  265   1HZ   LYS  33           HZ1      LYS  33 -18.953   8.735   8.735
  266   2HZ   LYS  33           HZ2      LYS  33 -18.757   8.624   8.624
  267    H    LYS  34           HN       LYS  34 -22.646   4.386   4.386
  268    HA   LYS  34           HA       LYS  34 -24.856   4.426   4.426
  269   1HB   LYS  34           HB2      LYS  34 -24.277   5.677   5.677
  270   2HB   LYS  34           HB3      LYS  34 -25.865   5.651   5.651
  271   1HG   LYS  34           HG2      LYS  34 -25.164   7.663   7.663
  272   2HG   LYS  34           HG3      LYS  34 -24.470   6.626   6.626
  273   1HD   LYS  34           HD2      LYS  34 -22.421   7.442   7.442
  274   2HD   LYS  34           HD3      LYS  34 -22.547   6.675   6.675
  275   1HE   LYS  34           HE2      LYS  34 -24.040   9.251   9.251
  276   2HE   LYS  34           HE3      LYS  34 -22.296   9.389   9.389
  277   1HZ   LYS  34           HZ1      LYS  34 -23.179   7.675   7.675
  278   2HZ   LYS  34           HZ2      LYS  34 -23.695   9.210   9.210
  279    H    GLY  35           HN       GLY  35 -25.200   2.168   2.168
  280   1HA   GLY  35           HA1      GLY  35 -25.715   0.804   0.804
  281   2HA   GLY  35           HA2      GLY  35 -25.244   0.022   0.022
  282    H    CYS  36           HN       CYS  36 -26.914  -1.135  -1.135
  283    HA   CYS  36           HA       CYS  36 -29.493  -1.033  -1.033
  284   1HB   CYS  36           HB2      CYS  36 -28.479  -2.739  -2.739
  285   2HB   CYS  36           HB3      CYS  36 -28.446  -1.603  -1.603
  286    H    TRP  37           HN       TRP  37 -31.102   0.499   0.499
  287    HA   TRP  37           HA       TRP  37 -30.599   2.833   2.833
  288   1HB   TRP  37           HB2      TRP  37 -32.341   2.191   2.191
  289   2HB   TRP  37           HB3      TRP  37 -32.849   3.468   3.468
  290    HD1  TRP  37           HD1      TRP  37 -30.590   5.337   5.337
  291    HE1  TRP  37           HE1      TRP  37 -29.075   6.527   6.527
  292    HE3  TRP  37           HE3      TRP  37 -31.520   2.017   2.017
  293    HZ2  TRP  37           HZ2      TRP  37 -28.449   5.960   5.960
  294    HZ3  TRP  37           HZ3      TRP  37 -30.417   2.408   2.408
  295    HH2  TRP  37           HH2      TRP  37 -28.927   4.298   4.298
  296    H    LYS  38           HN       LYS  38 -31.502  -0.101  -0.101
  297    HA   LYS  38           HA       LYS  38 -33.958   0.691   0.691
  298   1HB   LYS  38           HB2      LYS  38 -33.859  -1.357  -1.357
  299   2HB   LYS  38           HB3      LYS  38 -32.920  -2.128  -2.128
  300   1HG   LYS  38           HG2      LYS  38 -35.653  -0.851  -0.851
  301   2HG   LYS  38           HG3      LYS  38 -35.432  -2.552  -2.552
  302   1HD   LYS  38           HD2      LYS  38 -33.692  -2.437  -2.437
  303   2HD   LYS  38           HD3      LYS  38 -34.615  -1.016  -1.016
  304   1HE   LYS  38           HE2      LYS  38 -36.534  -2.235  -2.235
  305   2HE   LYS  38           HE3      LYS  38 -36.207  -3.459  -3.459
  306   1HZ   LYS  38           HZ1      LYS  38 -35.657  -4.611  -4.611
  307   2HZ   LYS  38           HZ2      LYS  38 -34.193  -3.945  -3.945
  308    H    CYS  39           HN       CYS  39 -30.718  -0.856  -0.856
  309    HA   CYS  39           HA       CYS  39 -31.022  -0.376  -0.376
  310   1HB   CYS  39           HB2      CYS  39 -29.078  -1.972  -1.972
  311   2HB   CYS  39           HB3      CYS  39 -30.613  -2.655  -2.655
  312    H    GLY  40           HN       GLY  40 -29.408   0.509   0.509
  313   1HA   GLY  40           HA1      GLY  40 -28.172   2.438   2.438
  314   2HA   GLY  40           HA2      GLY  40 -27.855   2.522   2.522
  315    H    LYS  41           HN       LYS  41 -27.421  -0.699  -0.699
  316    HA   LYS  41           HA       LYS  41 -24.639  -0.576  -0.576
  317   1HB   LYS  41           HB2      LYS  41 -26.446  -2.511  -2.511
  318   2HB   LYS  41           HB3      LYS  41 -25.924  -2.912  -2.912
  319   1HG   LYS  41           HG2      LYS  41 -23.595  -3.118  -3.118
  320   2HG   LYS  41           HG3      LYS  41 -23.973  -2.476  -2.476
  321   1HD   LYS  41           HD2      LYS  41 -24.993  -4.450  -4.450
  322   2HD   LYS  41           HD3      LYS  41 -25.511  -4.904  -4.904
  323   1HE   LYS  41           HE2      LYS  41 -22.612  -4.967  -4.967
  324   2HE   LYS  41           HE3      LYS  41 -23.663  -6.367  -6.367
  325   1HZ   LYS  41           HZ1      LYS  41 -23.926  -5.676  -5.676
  326   2HZ   LYS  41           HZ2      LYS  41 -22.572  -4.798  -4.798
  327    H    GLU  42           HN       GLU  42 -23.178   0.304   0.304
  328    HA   GLU  42           HA       GLU  42 -23.833   0.746   0.746
  329   1HB   GLU  42           HB2      GLU  42 -21.540   1.667   1.667
  330   2HB   GLU  42           HB3      GLU  42 -22.372   2.276   2.276
  331   1HG   GLU  42           HG2      GLU  42 -21.229   0.127   0.127
  332   2HG   GLU  42           HG3      GLU  42 -20.094   0.307   0.307
  333    HE2  GLU  42           HE2      GLU  42 -19.742   2.455   2.455
  334    H    GLY  43           HN       GLY  43 -24.358  -1.776  -1.776
  335   1HA   GLY  43           HA1      GLY  43 -22.166  -2.945  -2.945
  336   2HA   GLY  43           HA2      GLY  43 -22.627  -3.812  -3.812
  337    H    HIS  44           HN       HIS  44 -25.008  -4.388  -4.388
  338    HA   HIS  44           HA       HIS  44 -25.918  -5.437  -5.437
  339   1HB   HIS  44           HB2      HIS  44 -27.435  -6.731  -6.731
  340   2HB   HIS  44           HB3      HIS  44 -25.910  -6.725  -6.725
  341    HD1  HIS  44           HD1      HIS  44 -25.974  -6.020  -6.020
  342    HD2  HIS  44           HD2      HIS  44 -29.410  -4.854  -4.854
  343    HE1  HIS  44           HE1      HIS  44 -27.582  -5.060  -5.060
  344    H    GLN  45           HN       GLN  45 -28.443  -5.301  -5.301
  345    HA   GLN  45           HA       GLN  45 -29.162  -2.499  -2.499
  346   1HB   GLN  45           HB2      GLN  45 -30.011  -4.233  -4.233
  347   2HB   GLN  45           HB3      GLN  45 -30.212  -2.500  -2.500
  348   1HG   GLN  45           HG2      GLN  45 -27.879  -2.073  -2.073
  349   2HG   GLN  45           HG3      GLN  45 -27.437  -3.728  -3.728
  350   1HE2  GLN  45           HE2      GLN  45 -28.430  -5.072  -5.072
  351   2HE2  GLN  45           HE2      GLN  45 -28.494  -5.397  -5.397
  352    H    MET  46           HN       MET  46 -31.716  -2.246  -2.246
  353    HA   MET  46           HA       MET  46 -32.929  -3.600  -3.600
  354   1HB   MET  46           HB2      MET  46 -33.592  -1.371  -1.371
  355   2HB   MET  46           HB3      MET  46 -34.278  -2.293  -2.293
  356   1HG   MET  46           HG2      MET  46 -35.868  -3.401  -3.401
  357   2HG   MET  46           HG3      MET  46 -35.124  -2.626  -2.626
  358   1HE   MET  46           HE3      MET  46 -37.691  -2.450  -2.450
  359   2HE   MET  46           HE1      MET  46 -38.470  -0.876  -0.876
  360   3HE   MET  46           HE2      MET  46 -38.531  -2.145  -2.145
  361    H    LYS  47           HN       LYS  47 -32.895  -4.219  -4.219
  362    HA   LYS  47           HA       LYS  47 -34.879  -6.220  -6.220
  363   1HB   LYS  47           HB2      LYS  47 -34.056  -4.853  -4.853
  364   2HB   LYS  47           HB3      LYS  47 -32.670  -5.923  -5.923
  365   1HG   LYS  47           HG2      LYS  47 -34.587  -7.820  -7.820
  366   2HG   LYS  47           HG3      LYS  47 -35.566  -6.534  -6.534
  367   1HD   LYS  47           HD2      LYS  47 -34.739  -7.257  -7.257
  368   2HD   LYS  47           HD3      LYS  47 -33.326  -6.314  -6.314
  369   1HE   LYS  47           HE2      LYS  47 -32.344  -8.387  -8.387
  370   2HE   LYS  47           HE3      LYS  47 -32.555  -8.513  -8.513
  371   1HZ   LYS  47           HZ1      LYS  47 -33.441 -10.490 -10.490
  372   2HZ   LYS  47           HZ2      LYS  47 -34.744  -9.629  -9.629
  373    H    ASP  48           HN       ASP  48 -31.577  -6.095  -6.095
  374    HA   ASP  48           HA       ASP  48 -31.575  -9.011  -9.011
  375   1HB   ASP  48           HB2      ASP  48 -29.744  -8.015  -8.015
  376   2HB   ASP  48           HB3      ASP  48 -29.217  -7.068  -7.068
  377    HD2  ASP  48           HD2      ASP  48 -27.088  -9.569  -9.569
  378    H    CYS  49           HN       CYS  49 -32.568  -6.633  -6.633
  379    HA   CYS  49           HA       CYS  49 -30.837  -6.864  -6.864
  380   1HB   CYS  49           HB2      CYS  49 -31.911  -4.723  -4.723
  381   2HB   CYS  49           HB3      CYS  49 -33.500  -5.452  -5.452
  382    H    THR  50           HN       THR  50 -30.896  -8.792  -8.792
  383    HA   THR  50           HA       THR  50 -33.388 -10.292 -10.292
  384    HB   THR  50           HB       THR  50 -30.611 -10.940 -10.940
  385    HG1  THR  50           HG1      THR  50 -32.011 -11.331 -11.331
  386   1HG2  THR  50           HG2      THR  50 -32.875 -12.332 -12.332
  387   2HG2  THR  50           HG2      THR  50 -32.559 -12.950 -12.950
  388   3HG2  THR  50           HG2      THR  50 -31.340 -13.158 -13.158
  389    H    GLU  51           HN       GLU  51 -32.482  -7.626  -7.626
  390    HA   GLU  51           HA       GLU  51 -32.574  -8.371  -8.371
  391   1HB   GLU  51           HB2      GLU  51 -31.914  -6.102  -6.102
  392   2HB   GLU  51           HB3      GLU  51 -33.599  -5.694  -5.694
  393   1HG   GLU  51           HG2      GLU  51 -31.672  -6.581  -6.581
  394   2HG   GLU  51           HG3      GLU  51 -32.121  -4.918  -4.918
  395    HE2  GLU  51           HE2      GLU  51 -33.996  -4.372  -4.372
  396    H    ARG  52           HN       ARG  52 -35.146  -6.839  -6.839
  397    HA   ARG  52           HA       ARG  52 -37.060  -8.155  -8.155
  398   1HB   ARG  52           HB2      ARG  52 -36.943  -5.364  -5.364
  399   2HB   ARG  52           HB3      ARG  52 -38.530  -6.107  -6.107
  400   1HG   ARG  52           HG2      ARG  52 -38.255  -6.630  -6.630
  401   2HG   ARG  52           HG3      ARG  52 -36.677  -5.867  -5.867
  402   1HD   ARG  52           HD2      ARG  52 -38.003  -4.088  -4.088
  403   2HD   ARG  52           HD3      ARG  52 -37.999  -3.778  -3.778
  404    HE   ARG  52           HE       ARG  52 -40.266  -4.796  -4.796
  405   1HH1  ARG  52           HH2      ARG  52 -40.520  -4.225  -4.225
  406   2HH1  ARG  52           HH2      ARG  52 -38.966  -4.191  -4.191
  407    HH2  ARG  52           HH1      ARG  52 -42.475  -4.609  -4.609
  408    H    GLN  53           HN       GLN  53 -37.148 -10.026 -10.026
  409    HA   GLN  53           HA       GLN  53 -39.079  -9.849  -9.849
  410   1HB   GLN  53           HB2      GLN  53 -37.157  -8.719  -8.719
  411   2HB   GLN  53           HB3      GLN  53 -36.303 -10.248 -10.248
  412   1HG   GLN  53           HG2      GLN  53 -37.426 -10.195 -10.195
  413   2HG   GLN  53           HG3      GLN  53 -38.328 -11.323 -11.323
  414   1HE2  GLN  53           HE2      GLN  53 -40.136  -8.181  -8.181
  415   2HE2  GLN  53           HE2      GLN  53 -38.574  -8.811  -8.811
  416    H    ALA  54           HN       ALA  54 -39.997 -11.866 -11.866
  417    HA   ALA  54           HA       ALA  54 -38.694 -13.988 -13.988
  418   1HB   ALA  54           HB3      ALA  54 -41.318 -13.247 -13.247
  419   2HB   ALA  54           HB1      ALA  54 -41.007 -14.775 -14.775
  420   3HB   ALA  54           HB2      ALA  54 -40.820 -14.694 -14.694
  421    H    ASN  55           HN       ASN  55 -38.697 -16.278 -16.278
  422    HA   ASN  55           HA       ASN  55 -36.936 -16.020 -16.020
  423   1HB   ASN  55           HB2      ASN  55 -36.774 -17.794 -17.794
  424   2HB   ASN  55           HB3      ASN  55 -38.221 -18.542 -18.542
  425   1HD2  ASN  55           HD2      ASN  55 -35.944 -20.612 -20.612
  426   2HD2  ASN  55           HD2      ASN  55 -36.984 -20.430 -20.430

  Start of MODEL   20
    1    H    MET   1           HN       MET   1   1.884   0.000   0.000
    2    HA   MET   1           HA       MET   1   1.400   0.423   0.423
    3   1HB   MET   1           HB2      MET   1   3.112   1.720   1.720
    4   2HB   MET   1           HB3      MET   1   4.103   0.278   0.278
    5   1HG   MET   1           HG2      MET   1   3.601   0.586   0.586
    6   2HG   MET   1           HG3      MET   1   3.385   2.256   2.256
    7   1HE   MET   1           HE1      MET   1   5.647  -0.727  -0.727
    8   2HE   MET   1           HE2      MET   1   5.881  -0.627  -0.627
    9   3HE   MET   1           HE3      MET   1   7.226  -0.239  -0.239
   10    H    GLN   2           HN       GLN   2   3.397  -1.726  -1.726
   11    HA   GLN   2           HA       GLN   2   4.366  -3.649  -3.649
   12   1HB   GLN   2           HB2      GLN   2   2.832  -5.469  -5.469
   13   2HB   GLN   2           HB3      GLN   2   1.995  -4.293  -4.293
   14   1HG   GLN   2           HG2      GLN   2   0.857  -3.344  -3.344
   15   2HG   GLN   2           HG3      GLN   2   1.850  -4.267  -4.267
   16   1HE2  GLN   2           HE2      GLN   2  -1.586  -5.753  -5.753
   17   2HE2  GLN   2           HE2      GLN   2  -1.045  -4.115  -4.115
   18    H    LYS   3           HN       LYS   3   4.037  -5.635  -5.635
   19    HA   LYS   3           HA       LYS   3   5.770  -4.542  -4.542
   20   1HB   LYS   3           HB2      LYS   3   4.429  -7.175  -7.175
   21   2HB   LYS   3           HB3      LYS   3   5.097  -6.863  -6.863
   22   1HG   LYS   3           HG2      LYS   3   7.285  -6.195  -6.195
   23   2HG   LYS   3           HG3      LYS   3   6.595  -6.724  -6.724
   24   1HD   LYS   3           HD2      LYS   3   7.816  -8.616  -8.616
   25   2HD   LYS   3           HD3      LYS   3   6.148  -8.999  -8.999
   26   1HE   LYS   3           HE2      LYS   3   7.264  -9.526  -9.526
   27   2HE   LYS   3           HE3      LYS   3   6.632  -7.924  -7.924
   28   1HZ   LYS   3           HZ1      LYS   3   8.852  -7.714  -7.714
   29   2HZ   LYS   3           HZ2      LYS   3   8.933  -7.176  -7.176
   30    H    GLY   4           HN       GLY   4   5.313  -4.673  -4.673
   31   1HA   GLY   4           HA1      GLY   4   3.102  -3.007  -3.007
   32   2HA   GLY   4           HA2      GLY   4   4.194  -3.772  -3.772
   33    H    ASN   5           HN       ASN   5   1.169  -4.127  -4.127
   34    HA   ASN   5           HA       ASN   5   0.612  -6.725  -6.725
   35   1HB   ASN   5           HB2      ASN   5  -1.736  -6.170  -6.170
   36   2HB   ASN   5           HB3      ASN   5  -0.557  -5.680  -5.680
   37   1HD2  ASN   5           HD2      ASN   5  -1.329  -2.308  -2.308
   38   2HD2  ASN   5           HD2      ASN   5  -0.471  -3.644  -3.644
   39    H    PHE   6           HN       PHE   6  -1.349  -7.253  -7.253
   40    HA   PHE   6           HA       PHE   6  -2.305  -5.375  -5.375
   41   1HB   PHE   6           HB2      PHE   6   0.149  -5.536  -5.536
   42   2HB   PHE   6           HB3      PHE   6  -0.064  -7.260  -7.260
   43    HD1  PHE   6           HD1      PHE   6  -2.084  -4.273  -4.273
   44    HD2  PHE   6           HD2      PHE   6  -0.032  -7.772  -7.772
   45    HE1  PHE   6           HE1      PHE   6  -2.810  -3.858  -3.858
   46    HE2  PHE   6           HE2      PHE   6  -0.758  -7.357  -7.357
   47   1HZ   PHE   6           HZ       PHE   6  -2.138  -5.404  -5.404
   48    H    ARG   7           HN       ARG   7  -1.158  -8.818  -8.818
   49    HA   ARG   7           HA       ARG   7  -2.832 -10.029 -10.029
   50   1HB   ARG   7           HB2      ARG   7  -2.752 -12.000 -12.000
   51   2HB   ARG   7           HB3      ARG   7  -1.190 -11.210 -11.210
   52   1HG   ARG   7           HG2      ARG   7  -1.824  -9.922  -9.922
   53   2HG   ARG   7           HG3      ARG   7  -3.256 -10.927 -10.927
   54   1HD   ARG   7           HD2      ARG   7  -1.852 -12.970 -12.970
   55   2HD   ARG   7           HD3      ARG   7  -0.399 -12.015 -12.015
   56    HE   ARG   7           HE       ARG   7  -0.495 -11.431 -11.431
   57   1HH1  ARG   7           HH2      ARG   7  -4.378 -12.436 -12.436
   58   2HH1  ARG   7           HH2      ARG   7  -3.715 -12.510 -12.510
   59    HH2  ARG   7           HH1      ARG   7  -2.982 -11.743 -11.743
   60    H    ASN   8           HN       ASN   8  -5.039 -10.571 -10.571
   61    HA   ASN   8           HA       ASN   8  -6.748 -10.639 -10.639
   62   1HB   ASN   8           HB2      ASN   8  -6.345  -7.949  -7.949
   63   2HB   ASN   8           HB3      ASN   8  -8.028  -8.437  -8.437
   64   1HD2  ASN   8           HD2      ASN   8  -6.353  -6.958  -6.958
   65   2HD2  ASN   8           HD2      ASN   8  -5.807  -6.783  -6.783
   66    H    GLN   9           HN       GLN   9  -7.740 -12.410 -12.410
   67    HA   GLN   9           HA       GLN   9  -9.271 -11.747 -11.747
   68   1HB   GLN   9           HB2      GLN   9  -6.817 -12.967 -12.967
   69   2HB   GLN   9           HB3      GLN   9  -7.881 -14.356 -14.356
   70   1HG   GLN   9           HG2      GLN   9  -7.774 -13.675 -13.675
   71   2HG   GLN   9           HG3      GLN   9  -9.377 -13.286 -13.286
   72   1HE2  GLN   9           HE2      GLN   9  -6.611 -10.326 -10.326
   73   2HE2  GLN   9           HE2      GLN   9  -6.141 -11.963 -11.963
   74    H    ARG  10           HN       ARG  10 -10.759 -13.727 -13.727
   75    HA   ARG  10           HA       ARG  10 -12.521 -14.778 -14.778
   76   1HB   ARG  10           HB2      ARG  10 -11.579 -16.843 -16.843
   77   2HB   ARG  10           HB3      ARG  10 -11.526 -16.841 -16.841
   78   1HG   ARG  10           HG2      ARG  10  -9.239 -15.768 -15.768
   79   2HG   ARG  10           HG3      ARG  10  -9.295 -15.882 -15.882
   80   1HD   ARG  10           HD2      ARG  10  -8.240 -17.897 -17.897
   81   2HD   ARG  10           HD3      ARG  10  -9.877 -18.475 -18.475
   82    HE   ARG  10           HE       ARG  10  -9.329 -18.860 -18.860
   83   1HH1  ARG  10           HH2      ARG  10  -6.375 -16.100 -16.100
   84   2HH1  ARG  10           HH2      ARG  10  -7.251 -16.253 -16.253
   85    HH2  ARG  10           HH1      ARG  10  -6.935 -17.524 -17.524
   86    H    LYS  11           HN       LYS  11 -10.752 -15.788 -15.788
   87    HA   LYS  11           HA       LYS  11 -11.802 -13.743 -13.743
   88   1HB   LYS  11           HB2      LYS  11 -13.401 -15.056 -15.056
   89   2HB   LYS  11           HB3      LYS  11 -13.894 -14.957 -14.957
   90   1HG   LYS  11           HG2      LYS  11 -14.178 -17.241 -17.241
   91   2HG   LYS  11           HG3      LYS  11 -12.533 -17.235 -17.235
   92   1HD   LYS  11           HD2      LYS  11 -12.016 -18.364 -18.364
   93   2HD   LYS  11           HD3      LYS  11 -12.103 -16.798 -16.798
   94   1HE   LYS  11           HE2      LYS  11 -13.511 -18.325 -18.325
   95   2HE   LYS  11           HE3      LYS  11 -14.567 -17.198 -17.198
   96   1HZ   LYS  11           HZ1      LYS  11 -15.214 -19.601 -19.601
   97   2HZ   LYS  11           HZ2      LYS  11 -15.057 -18.847 -18.847
   98    H    THR  12           HN       THR  12 -10.644 -13.659 -13.659
   99    HA   THR  12           HA       THR  12  -9.206 -16.022 -16.022
  100    HB   THR  12           HB       THR  12  -7.870 -13.504 -13.504
  101    HG1  THR  12           HG1      THR  12  -6.720 -15.457 -15.457
  102   1HG2  THR  12           HG2      THR  12  -6.779 -14.200 -14.200
  103   2HG2  THR  12           HG2      THR  12  -6.597 -15.843 -15.843
  104   3HG2  THR  12           HG2      THR  12  -5.733 -14.480 -14.480
  105    H    VAL  13           HN       VAL  13  -9.860 -16.152 -16.152
  106    HA   VAL  13           HA       VAL  13 -10.477 -15.532 -15.532
  107    HB   VAL  13           HB       VAL  13  -8.872 -14.263 -14.263
  108   1HG1  VAL  13           HG1      VAL  13  -8.146 -16.480 -16.480
  109   2HG1  VAL  13           HG1      VAL  13  -7.479 -15.764 -15.764
  110   3HG1  VAL  13           HG1      VAL  13  -6.770 -15.354 -15.354
  111   1HG2  VAL  13           HG2      VAL  13  -8.826 -12.382 -12.382
  112   2HG2  VAL  13           HG2      VAL  13  -7.321 -12.738 -12.738
  113   3HG2  VAL  13           HG2      VAL  13  -7.540 -13.333 -13.333
  114    H    LYS  14           HN       LYS  14 -10.794 -13.289 -13.289
  115    HA   LYS  14           HA       LYS  14 -12.154 -11.365 -11.365
  116   1HB   LYS  14           HB2      LYS  14 -14.205 -11.526 -11.526
  117   2HB   LYS  14           HB3      LYS  14 -13.721 -13.202 -13.202
  118   1HG   LYS  14           HG2      LYS  14 -12.771 -13.097 -13.097
  119   2HG   LYS  14           HG3      LYS  14 -13.412 -11.472 -11.472
  120   1HD   LYS  14           HD2      LYS  14 -15.120 -13.921 -13.921
  121   2HD   LYS  14           HD3      LYS  14 -14.910 -13.279 -13.279
  122   1HE   LYS  14           HE2      LYS  14 -15.638 -11.111 -11.111
  123   2HE   LYS  14           HE3      LYS  14 -16.782 -12.425 -12.425
  124   1HZ   LYS  14           HZ1      LYS  14 -16.024 -11.283 -11.283
  125   2HZ   LYS  14           HZ2      LYS  14 -17.371 -10.866 -10.866
  126    H    CYS  15           HN       CYS  15 -11.819  -9.265  -9.265
  127    HA   CYS  15           HA       CYS  15 -10.014  -8.882  -8.882
  128   1HB   CYS  15           HB2      CYS  15  -9.690  -7.720  -7.720
  129   2HB   CYS  15           HB3      CYS  15 -11.225  -6.899  -6.899
  130    H    PHE  16           HN       PHE  16 -10.843  -8.744  -8.744
  131    HA   PHE  16           HA       PHE  16 -13.598  -7.957  -7.957
  132   1HB   PHE  16           HB2      PHE  16 -11.323  -8.729  -8.729
  133   2HB   PHE  16           HB3      PHE  16 -13.001  -8.567  -8.567
  134    HD1  PHE  16           HD1      PHE  16 -10.589 -10.633 -10.633
  135    HD2  PHE  16           HD2      PHE  16 -14.628 -10.267 -10.267
  136    HE1  PHE  16           HE1      PHE  16 -10.981 -13.048 -13.048
  137    HE2  PHE  16           HE2      PHE  16 -15.020 -12.682 -12.682
  138   1HZ   PHE  16           HZ       PHE  16 -13.192 -14.044 -14.044
  139    H    ASN  17           HN       ASN  17 -11.064  -6.126  -6.126
  140    HA   ASN  17           HA       ASN  17 -11.383  -4.277  -4.277
  141   1HB   ASN  17           HB2      ASN  17  -9.065  -4.904  -4.904
  142   2HB   ASN  17           HB3      ASN  17  -9.473  -4.146  -4.146
  143   1HD2  ASN  17           HD2      ASN  17  -8.686  -0.930  -0.930
  144   2HD2  ASN  17           HD2      ASN  17  -9.036  -2.089  -2.089
  145    H    CYS  18           HN       CYS  18 -11.538  -4.563  -4.563
  146    HA   CYS  18           HA       CYS  18 -12.977  -2.020  -2.020
  147   1HB   CYS  18           HB2      CYS  18 -12.498  -2.032  -2.032
  148   2HB   CYS  18           HB3      CYS  18 -11.062  -1.987  -1.987
  149    H    GLY  19           HN       GLY  19 -13.056  -5.522  -5.522
  150   1HA   GLY  19           HA1      GLY  19 -15.112  -6.694  -6.694
  151   2HA   GLY  19           HA2      GLY  19 -15.958  -5.296  -5.296
  152    H    LYS  20           HN       LYS  20 -13.212  -5.287  -5.287
  153    HA   LYS  20           HA       LYS  20 -14.570  -6.481  -6.481
  154   1HB   LYS  20           HB2      LYS  20 -12.871  -4.382  -4.382
  155   2HB   LYS  20           HB3      LYS  20 -11.739  -5.622  -5.622
  156   1HG   LYS  20           HG2      LYS  20 -12.516  -5.567  -5.567
  157   2HG   LYS  20           HG3      LYS  20 -14.164  -5.831  -5.831
  158   1HD   LYS  20           HD2      LYS  20 -14.704  -3.624  -3.624
  159   2HD   LYS  20           HD3      LYS  20 -13.248  -3.100  -3.100
  160   1HE   LYS  20           HE2      LYS  20 -11.928  -3.418  -3.418
  161   2HE   LYS  20           HE3      LYS  20 -13.353  -4.010  -4.010
  162   1HZ   LYS  20           HZ1      LYS  20 -14.403  -1.833  -1.833
  163   2HZ   LYS  20           HZ2      LYS  20 -13.074  -1.283  -1.283
  164    H    GLU  21           HN       GLU  21 -14.207  -8.456  -8.456
  165    HA   GLU  21           HA       GLU  21 -12.618 -10.259 -10.259
  166   1HB   GLU  21           HB2      GLU  21 -13.623 -12.008 -12.008
  167   2HB   GLU  21           HB3      GLU  21 -14.859 -10.942 -10.942
  168   1HG   GLU  21           HG2      GLU  21 -15.508 -10.325 -10.325
  169   2HG   GLU  21           HG3      GLU  21 -13.873  -9.870  -9.870
  170    HE2  GLU  21           HE2      GLU  21 -16.059 -11.485 -11.485
  171    H    GLY  22           HN       GLY  22 -10.833 -11.517 -11.517
  172   1HA   GLY  22           HA1      GLY  22  -9.531 -12.083 -12.083
  173   2HA   GLY  22           HA2      GLY  22  -9.614 -10.390 -10.390
  174    H    HIS  23           HN       HIS  23  -9.459 -10.554 -10.554
  175    HA   HIS  23           HA       HIS  23  -6.738 -11.088 -11.088
  176   1HB   HIS  23           HB2      HIS  23  -5.797  -8.918  -8.918
  177   2HB   HIS  23           HB3      HIS  23  -6.519  -8.998  -8.998
  178    HD1  HIS  23           HD1      HIS  23  -8.824  -7.670  -7.670
  179    HD2  HIS  23           HD2      HIS  23  -6.817  -6.944  -6.944
  180    HE1  HIS  23           HE1      HIS  23  -9.852  -5.549  -5.549
  181    H    ILE  24           HN       ILE  24  -6.054 -10.304 -10.304
  182    HA   ILE  24           HA       ILE  24  -8.450 -10.487 -10.487
  183    HB   ILE  24           HB       ILE  24  -6.610 -11.142 -11.142
  184   1HG1  ILE  24           HG1      ILE  24  -5.185 -11.987 -11.987
  185   2HG1  ILE  24           HG1      ILE  24  -4.767 -10.527 -10.527
  186   1HG2  ILE  24           HG2      ILE  24  -7.983 -12.728 -12.728
  187   2HG2  ILE  24           HG2      ILE  24  -6.696 -13.548 -13.548
  188   3HG2  ILE  24           HG2      ILE  24  -8.081 -12.831 -12.831
  189   1HD1  ILE  24           HD1      ILE  24  -4.820 -12.314 -12.314
  190   2HD1  ILE  24           HD1      ILE  24  -4.314 -13.378 -13.378
  191   3HD1  ILE  24           HD1      ILE  24  -3.356 -11.932 -11.932
  192    H    ALA  25           HN       ALA  25  -8.200  -9.337  -9.337
  193    HA   ALA  25           HA       ALA  25  -7.932  -6.617  -6.617
  194   1HB   ALA  25           HB1      ALA  25  -8.126  -8.387  -8.387
  195   2HB   ALA  25           HB2      ALA  25  -7.827  -6.643  -6.643
  196   3HB   ALA  25           HB3      ALA  25  -9.297  -7.206  -7.206
  197    H    LYS  26           HN       LYS  26  -5.644  -9.037  -9.037
  198    HA   LYS  26           HA       LYS  26  -3.684  -7.207  -7.207
  199   1HB   LYS  26           HB2      LYS  26  -3.922  -9.654  -9.654
  200   2HB   LYS  26           HB3      LYS  26  -3.221 -10.056 -10.056
  201   1HG   LYS  26           HG2      LYS  26  -1.541  -8.032  -8.032
  202   2HG   LYS  26           HG3      LYS  26  -1.890  -9.137  -9.137
  203   1HD   LYS  26           HD2      LYS  26  -0.314 -10.530 -10.530
  204   2HD   LYS  26           HD3      LYS  26  -1.392 -10.835 -10.835
  205   1HE   LYS  26           HE2      LYS  26   0.702 -10.104 -10.104
  206   2HE   LYS  26           HE3      LYS  26  -0.422  -8.774  -8.774
  207   1HZ   LYS  26           HZ1      LYS  26   0.988  -8.644  -8.644
  208   2HZ   LYS  26           HZ2      LYS  26   2.005  -8.601  -8.601
  209    H    ASN  27           HN       ASN  27  -4.800  -8.231  -8.231
  210    HA   ASN  27           HA       ASN  27  -2.383  -7.076  -7.076
  211   1HB   ASN  27           HB2      ASN  27  -3.199  -9.587  -9.587
  212   2HB   ASN  27           HB3      ASN  27  -4.309  -8.796  -8.796
  213   1HD2  ASN  27           HD2      ASN  27  -2.007  -8.225  -8.225
  214   2HD2  ASN  27           HD2      ASN  27  -3.643  -8.244  -8.244
  215    H    CYS  28           HN       CYS  28  -4.787  -5.646  -5.646
  216    HA   CYS  28           HA       CYS  28  -6.387  -4.999  -4.999
  217   1HB   CYS  28           HB2      CYS  28  -7.366  -5.049  -5.049
  218   2HB   CYS  28           HB3      CYS  28  -6.294  -3.762  -3.762
  219    H    ARG  29           HN       ARG  29  -5.887  -3.426  -3.426
  220    HA   ARG  29           HA       ARG  29  -3.709  -1.647  -1.647
  221   1HB   ARG  29           HB2      ARG  29  -3.300  -1.422  -1.422
  222   2HB   ARG  29           HB3      ARG  29  -3.229  -3.101  -3.101
  223   1HG   ARG  29           HG2      ARG  29  -5.508  -3.507  -3.507
  224   2HG   ARG  29           HG3      ARG  29  -5.744  -1.801  -1.801
  225   1HD   ARG  29           HD2      ARG  29  -3.376  -2.449  -2.449
  226   2HD   ARG  29           HD3      ARG  29  -4.412  -3.841  -3.841
  227    HE   ARG  29           HE       ARG  29  -6.151  -1.784  -1.784
  228   1HH1  ARG  29           HH2      ARG  29  -2.881  -2.425  -2.425
  229   2HH1  ARG  29           HH2      ARG  29  -3.142  -1.611  -1.611
  230    HH2  ARG  29           HH1      ARG  29  -5.275  -0.611  -0.611
  231    H    ALA  30           HN       ALA  30  -7.008  -1.724  -1.724
  232    HA   ALA  30           HA       ALA  30  -8.660  -0.290  -0.290
  233   1HB   ALA  30           HB2      ALA  30  -6.763   0.779   0.779
  234   2HB   ALA  30           HB3      ALA  30  -7.294   2.132   2.132
  235   3HB   ALA  30           HB1      ALA  30  -8.494   1.173   1.173
  236    HA   PRO  31           HA       PRO  31  -7.179   1.189   1.189
  237   1HB   PRO  31           HB2      PRO  31  -9.232   0.189   0.189
  238   2HB   PRO  31           HB3      PRO  31  -7.741  -0.685  -0.685
  239   1HG   PRO  31           HG2      PRO  31 -10.408  -1.125  -1.125
  240   2HG   PRO  31           HG3      PRO  31  -9.038  -2.216  -2.216
  241   1HD   PRO  31           HD2      PRO  31  -9.919  -0.690  -0.690
  242   2HD   PRO  31           HD3      PRO  31  -8.484  -1.691  -1.691
  243    H    ARG  32           HN       ARG  32  -7.313   3.362   3.362
  244    HA   ARG  32           HA       ARG  32  -9.840   4.408   4.408
  245   1HB   ARG  32           HB2      ARG  32  -9.516   4.173   4.173
  246   2HB   ARG  32           HB3      ARG  32  -8.741   5.727   5.727
  247   1HG   ARG  32           HG2      ARG  32 -10.804   6.516   6.516
  248   2HG   ARG  32           HG3      ARG  32 -11.575   4.986   4.986
  249   1HD   ARG  32           HD2      ARG  32 -11.487   5.428   5.428
  250   2HD   ARG  32           HD3      ARG  32 -10.446   6.819   6.819
  251    HE   ARG  32           HE       ARG  32 -13.049   6.961   6.961
  252   1HH1  ARG  32           HH2      ARG  32 -11.201   7.813   7.813
  253   2HH1  ARG  32           HH2      ARG  32 -12.278   9.089   9.089
  254    HH2  ARG  32           HH1      ARG  32 -14.192   9.561   9.561
  255    H    LYS  33           HN       LYS  33  -6.580   5.165   5.165
  256    HA   LYS  33           HA       LYS  33  -6.186   7.683   7.683
  257   1HB   LYS  33           HB2      LYS  33  -3.756   7.025   7.025
  258   2HB   LYS  33           HB3      LYS  33  -4.510   6.619   6.619
  259   1HG   LYS  33           HG2      LYS  33  -4.862   4.463   4.463
  260   2HG   LYS  33           HG3      LYS  33  -3.167   4.846   4.846
  261   1HD   LYS  33           HD2      LYS  33  -3.548   4.690   4.690
  262   2HD   LYS  33           HD3      LYS  33  -5.168   4.114   4.114
  263   1HE   LYS  33           HE2      LYS  33  -4.170   2.045   2.045
  264   2HE   LYS  33           HE3      LYS  33  -3.755   2.417   2.417
  265   1HZ   LYS  33           HZ1      LYS  33  -1.924   3.381   3.381
  266   2HZ   LYS  33           HZ2      LYS  33  -1.909   1.782   1.782
  267    H    LYS  34           HN       LYS  34  -6.358   4.769   4.769
  268    HA   LYS  34           HA       LYS  34  -5.186   5.515   5.515
  269   1HB   LYS  34           HB2      LYS  34  -7.700   3.986   3.986
  270   2HB   LYS  34           HB3      LYS  34  -7.287   4.334   4.334
  271   1HG   LYS  34           HG2      LYS  34  -4.898   3.435   3.435
  272   2HG   LYS  34           HG3      LYS  34  -6.192   2.297   2.297
  273   1HD   LYS  34           HD2      LYS  34  -6.121   3.155   3.155
  274   2HD   LYS  34           HD3      LYS  34  -4.621   2.402   2.402
  275   1HE   LYS  34           HE2      LYS  34  -5.681   0.419   0.419
  276   2HE   LYS  34           HE3      LYS  34  -6.492   0.695   0.695
  277   1HZ   LYS  34           HZ1      LYS  34  -8.143   0.322   0.322
  278   2HZ   LYS  34           HZ2      LYS  34  -8.247   1.897   1.897
  279    H    GLY  35           HN       GLY  35  -8.612   6.378   6.378
  280   1HA   GLY  35           HA1      GLY  35  -8.998   8.105   8.105
  281   2HA   GLY  35           HA2      GLY  35  -9.924   8.066   8.066
  282    H    CYS  36           HN       CYS  36  -9.786  10.532  10.532
  283    HA   CYS  36           HA       CYS  36  -7.343  11.829  11.829
  284   1HB   CYS  36           HB2      CYS  36  -8.912  12.618  12.618
  285   2HB   CYS  36           HB3      CYS  36 -10.067  13.035  13.035
  286    H    TRP  37           HN       TRP  37  -6.729  12.093  12.093
  287    HA   TRP  37           HA       TRP  37  -8.787  12.025  12.025
  288   1HB   TRP  37           HB2      TRP  37  -6.233  10.981  10.981
  289   2HB   TRP  37           HB3      TRP  37  -6.015  12.375  12.375
  290    HD1  TRP  37           HD1      TRP  37  -9.302  11.649  11.649
  291    HE1  TRP  37           HE1      TRP  37  -9.551   9.957   9.957
  292    HE3  TRP  37           HE3      TRP  37  -4.627   9.689   9.689
  293    HZ2  TRP  37           HZ2      TRP  37  -7.804   8.031   8.031
  294    HZ3  TRP  37           HZ3      TRP  37  -3.977   7.907   7.907
  295    HH2  TRP  37           HH2      TRP  37  -5.479   7.076   7.076
  296    H    LYS  38           HN       LYS  38  -8.048  14.298  14.298
  297    HA   LYS  38           HA       LYS  38  -7.536  16.397  16.397
  298   1HB   LYS  38           HB2      LYS  38  -6.032  16.058  16.058
  299   2HB   LYS  38           HB3      LYS  38  -7.369  16.706  16.706
  300   1HG   LYS  38           HG2      LYS  38  -7.254  18.568  18.568
  301   2HG   LYS  38           HG3      LYS  38  -5.571  18.084  18.084
  302   1HD   LYS  38           HD2      LYS  38  -6.034  18.350  18.350
  303   2HD   LYS  38           HD3      LYS  38  -7.209  19.501  19.501
  304   1HE   LYS  38           HE2      LYS  38  -5.574  21.015  21.015
  305   2HE   LYS  38           HE3      LYS  38  -4.744  19.879  19.879
  306   1HZ   LYS  38           HZ1      LYS  38  -3.651  20.726  20.726
  307   2HZ   LYS  38           HZ2      LYS  38  -3.377  19.209  19.209
  308    H    CYS  39           HN       CYS  39  -9.690  15.358  15.358
  309    HA   CYS  39           HA       CYS  39 -11.573  17.410  17.410
  310   1HB   CYS  39           HB2      CYS  39 -12.665  17.110  17.110
  311   2HB   CYS  39           HB3      CYS  39 -11.016  17.691  17.691
  312    H    GLY  40           HN       GLY  40 -10.849  13.976  13.976
  313   1HA   GLY  40           HA1      GLY  40 -11.910  12.316  12.316
  314   2HA   GLY  40           HA2      GLY  40 -13.322  13.334  13.334
  315    H    LYS  41           HN       LYS  41 -11.961  13.260  13.260
  316    HA   LYS  41           HA       LYS  41 -14.313  11.819  11.819
  317   1HB   LYS  41           HB2      LYS  41 -13.364  14.060  14.060
  318   2HB   LYS  41           HB3      LYS  41 -12.217  13.038  13.038
  319   1HG   LYS  41           HG2      LYS  41 -14.087  13.339  13.339
  320   2HG   LYS  41           HG3      LYS  41 -14.186  11.693  11.693
  321   1HD   LYS  41           HD2      LYS  41 -16.328  12.174  12.174
  322   2HD   LYS  41           HD3      LYS  41 -15.645  13.098  13.098
  323   1HE   LYS  41           HE2      LYS  41 -15.623  14.625  14.625
  324   2HE   LYS  41           HE3      LYS  41 -17.241  14.107  14.107
  325   1HZ   LYS  41           HZ1      LYS  41 -16.369  16.288  16.288
  326   2HZ   LYS  41           HZ2      LYS  41 -17.126  15.265  15.265
  327    H    GLU  42           HN       GLU  42 -14.219   9.640   9.640
  328    HA   GLU  42           HA       GLU  42 -11.726   8.325   8.325
  329   1HB   GLU  42           HB2      GLU  42 -13.148   6.248   6.248
  330   2HB   GLU  42           HB3      GLU  42 -13.577   7.322   7.322
  331   1HG   GLU  42           HG2      GLU  42 -15.059   8.060   8.060
  332   2HG   GLU  42           HG3      GLU  42 -15.283   6.355   6.355
  333    HE1  GLU  42           HE2      GLU  42 -15.447   9.049   9.049
  334    H    GLY  43           HN       GLY  43 -10.463   8.287   8.287
  335   1HA   GLY  43           HA1      GLY  43 -10.844   6.872   6.872
  336   2HA   GLY  43           HA2      GLY  43 -11.718   8.335   8.335
  337    H    HIS  44           HN       HIS  44 -10.280  10.418  10.418
  338    HA   HIS  44           HA       HIS  44  -7.714  10.086  10.086
  339   1HB   HIS  44           HB2      HIS  44  -7.807  12.339  12.339
  340   2HB   HIS  44           HB3      HIS  44  -9.433  11.738  11.738
  341    HD1  HIS  44           HD1      HIS  44 -11.191  13.300  13.300
  342    HD2  HIS  44           HD2      HIS  44  -7.663  13.600  13.600
  343    HE1  HIS  44           HE1      HIS  44 -11.599  15.133  15.133
  344    H    GLN  45           HN       GLN  45  -5.967  11.691  11.691
  345    HA   GLN  45           HA       GLN  45  -6.155  11.524  11.524
  346   1HB   GLN  45           HB2      GLN  45  -3.484  11.503  11.503
  347   2HB   GLN  45           HB3      GLN  45  -3.930  10.809  10.809
  348   1HG   GLN  45           HG2      GLN  45  -5.566   9.374   9.374
  349   2HG   GLN  45           HG3      GLN  45  -4.183   9.657   9.657
  350   1HE2  GLN  45           HE2      GLN  45  -3.199   6.566   6.566
  351   2HE2  GLN  45           HE2      GLN  45  -4.122   7.275   7.275
  352    H    MET  46           HN       MET  46  -4.458  13.124  13.124
  353    HA   MET  46           HA       MET  46  -5.253  15.663  15.663
  354   1HB   MET  46           HB2      MET  46  -4.274  14.993  14.993
  355   2HB   MET  46           HB3      MET  46  -2.734  14.645  14.645
  356   1HG   MET  46           HG2      MET  46  -3.192  17.278  17.278
  357   2HG   MET  46           HG3      MET  46  -3.888  17.258  17.258
  358   1HE   MET  46           HE3      MET  46  -2.672  15.463  15.463
  359   2HE   MET  46           HE1      MET  46  -1.464  14.533  14.533
  360   3HE   MET  46           HE2      MET  46  -0.941  15.636  15.636
  361    H    LYS  47           HN       LYS  47  -2.104  14.018  14.018
  362    HA   LYS  47           HA       LYS  47  -0.969  16.164  16.164
  363   1HB   LYS  47           HB2      LYS  47   0.088  13.981  13.981
  364   2HB   LYS  47           HB3      LYS  47  -0.459  13.257  13.257
  365   1HG   LYS  47           HG2      LYS  47   0.982  14.549  14.549
  366   2HG   LYS  47           HG3      LYS  47   1.023  15.876  15.876
  367   1HD   LYS  47           HD2      LYS  47   2.186  13.232  13.232
  368   2HD   LYS  47           HD3      LYS  47   3.099  14.187  14.187
  369   1HE   LYS  47           HE2      LYS  47   2.290  16.074  16.074
  370   2HE   LYS  47           HE3      LYS  47   2.666  14.649  14.649
  371   1HZ   LYS  47           HZ1      LYS  47   4.814  15.200  15.200
  372   2HZ   LYS  47           HZ2      LYS  47   4.703  14.863  14.863
  373    H    ASP  48           HN       ASP  48  -3.641  14.110  14.110
  374    HA   ASP  48           HA       ASP  48  -3.525  15.242  15.242
  375   1HB   ASP  48           HB2      ASP  48  -3.057  12.726  12.726
  376   2HB   ASP  48           HB3      ASP  48  -4.684  12.515  12.515
  377    HD2  ASP  48           HD2      ASP  48  -5.362  11.890  11.890
  378    H    CYS  49           HN       CYS  49  -4.795  16.471  16.471
  379    HA   CYS  49           HA       CYS  49  -7.524  15.639  15.639
  380   1HB   CYS  49           HB2      CYS  49  -6.477  16.579  16.579
  381   2HB   CYS  49           HB3      CYS  49  -6.101  18.067  18.067
  382    H    THR  50           HN       THR  50  -8.767  15.965  15.965
  383    HA   THR  50           HA       THR  50  -8.224  18.294  18.294
  384    HB   THR  50           HB       THR  50  -8.561  15.881  15.881
  385    HG1  THR  50           HG1      THR  50 -10.265  18.163  18.163
  386   1HG2  THR  50           HG2      THR  50 -10.692  15.591  15.591
  387   2HG2  THR  50           HG2      THR  50 -11.514  16.553  16.553
  388   3HG2  THR  50           HG2      THR  50 -10.767  14.994  14.994
  389    H    GLU  51           HN       GLU  51  -9.655  18.077  18.077
  390    HA   GLU  51           HA       GLU  51 -12.227  19.085  19.085
  391   1HB   GLU  51           HB2      GLU  51 -10.997  17.965  17.965
  392   2HB   GLU  51           HB3      GLU  51 -11.236  19.636  19.636
  393   1HG   GLU  51           HG2      GLU  51 -13.646  18.891  18.891
  394   2HG   GLU  51           HG3      GLU  51 -13.220  17.506  17.506
  395    HE1  GLU  51           HE2      GLU  51 -13.986  18.324  18.324
  396    H    ARG  52           HN       ARG  52  -9.514  20.588  20.588
  397    HA   ARG  52           HA       ARG  52  -9.611  22.906  22.906
  398   1HB   ARG  52           HB2      ARG  52 -11.629  23.115  23.115
  399   2HB   ARG  52           HB3      ARG  52 -10.450  23.277  23.277
  400   1HG   ARG  52           HG2      ARG  52 -10.235  25.479  25.479
  401   2HG   ARG  52           HG3      ARG  52  -9.610  25.062  25.062
  402   1HD   ARG  52           HD2      ARG  52 -11.477  25.994  25.994
  403   2HD   ARG  52           HD3      ARG  52 -12.396  24.657  24.657
  404    HE   ARG  52           HE       ARG  52 -12.184  27.376  27.376
  405   1HH1  ARG  52           HH2      ARG  52 -13.230  24.031  24.031
  406   2HH1  ARG  52           HH2      ARG  52 -14.317  24.440  24.440
  407    HH2  ARG  52           HH1      ARG  52 -14.529  26.731  26.731
  408    H    GLN  53           HN       GLN  53  -8.958  22.168  22.168
  409    HA   GLN  53           HA       GLN  53  -6.615  23.567  23.567
  410   1HB   GLN  53           HB2      GLN  53  -8.161  22.065  22.065
  411   2HB   GLN  53           HB3      GLN  53  -6.685  21.123  21.123
  412   1HG   GLN  53           HG2      GLN  53  -6.511  22.784  22.784
  413   2HG   GLN  53           HG3      GLN  53  -5.348  23.161  23.161
  414   1HE2  GLN  53           HE2      GLN  53  -6.456  26.400  26.400
  415   2HE2  GLN  53           HE2      GLN  53  -5.190  25.217  25.217
  416    H    ALA  54           HN       ALA  54  -4.341  22.649  22.649
  417    HA   ALA  54           HA       ALA  54  -2.583  21.498  21.498
  418   1HB   ALA  54           HB3      ALA  54  -4.527  19.547  19.547
  419   2HB   ALA  54           HB1      ALA  54  -3.934  19.187  19.187
  420   3HB   ALA  54           HB2      ALA  54  -2.793  19.257  19.257
  421    H    ASN  55           HN       ASN  55  -1.349  21.111  21.111
  422    HA   ASN  55           HA       ASN  55  -2.465  20.935  20.935
  423   1HB   ASN  55           HB2      ASN  55  -2.601  23.634  23.634
  424   2HB   ASN  55           HB3      ASN  55  -1.472  23.628  23.628
  425   1HD2  ASN  55           HD2      ASN  55  -3.989  23.846  23.846
  426   2HD2  ASN  55           HD2      ASN  55  -2.421  24.292  24.292

  Start of MODEL   21
    1    H    MET   1           HN       MET   1   1.884   0.000   0.000
    2    HA   MET   1           HA       MET   1   3.034   0.457   0.457
    3   1HB   MET   1           HB2      MET   1   2.749  -1.438  -1.438
    4   2HB   MET   1           HB3      MET   1   2.885  -1.988  -1.988
    5   1HG   MET   1           HG2      MET   1   0.934  -3.115  -3.115
    6   2HG   MET   1           HG3      MET   1   0.124  -1.561  -1.561
    7   1HE   MET   1           HE3      MET   1   2.360  -3.757  -3.757
    8   2HE   MET   1           HE1      MET   1   1.026  -4.608  -4.608
    9   3HE   MET   1           HE2      MET   1   2.034  -3.457  -3.457
   10    H    GLN   2           HN       GLN   2  -0.464   0.502   0.502
   11    HA   GLN   2           HA       GLN   2  -1.801   1.441   1.441
   12   1HB   GLN   2           HB2      GLN   2  -0.788   3.483   3.483
   13   2HB   GLN   2           HB3      GLN   2   0.514   3.409   3.409
   14   1HG   GLN   2           HG2      GLN   2  -1.125   5.026   5.026
   15   2HG   GLN   2           HG3      GLN   2  -1.176   3.634   3.634
   16   1HE2  GLN   2           HE2      GLN   2  -4.280   4.485   4.485
   17   2HE2  GLN   2           HE2      GLN   2  -2.684   5.120   5.120
   18    H    LYS   3           HN       LYS   3  -1.745  -0.384  -0.384
   19    HA   LYS   3           HA       LYS   3   0.120  -0.697  -0.697
   20   1HB   LYS   3           HB2      LYS   3  -1.430  -2.444  -2.444
   21   2HB   LYS   3           HB3      LYS   3  -2.805  -1.480  -1.480
   22   1HG   LYS   3           HG2      LYS   3  -1.978  -1.495  -1.495
   23   2HG   LYS   3           HG3      LYS   3  -0.571  -2.418  -2.418
   24   1HD   LYS   3           HD2      LYS   3  -3.371  -3.450  -3.450
   25   2HD   LYS   3           HD3      LYS   3  -2.639  -3.696  -3.696
   26   1HE   LYS   3           HE2      LYS   3  -0.823  -4.379  -4.379
   27   2HE   LYS   3           HE3      LYS   3  -2.287  -5.342  -5.342
   28   1HZ   LYS   3           HZ1      LYS   3  -0.546  -4.988  -4.988
   29   2HZ   LYS   3           HZ2      LYS   3  -0.476  -6.281  -6.281
   30    H    GLY   4           HN       GLY   4  -3.164   0.852   0.852
   31   1HA   GLY   4           HA1      GLY   4  -2.119   2.938   2.938
   32   2HA   GLY   4           HA2      GLY   4  -3.064   1.756   1.756
   33    H    ASN   5           HN       ASN   5  -5.196   2.255   2.255
   34    HA   ASN   5           HA       ASN   5  -6.723   2.989   2.989
   35   1HB   ASN   5           HB2      ASN   5  -7.476   5.250   5.250
   36   2HB   ASN   5           HB3      ASN   5  -5.937   5.239   5.239
   37   1HD2  ASN   5           HD2      ASN   5  -3.893   5.681   5.681
   38   2HD2  ASN   5           HD2      ASN   5  -3.992   5.148   5.148
   39    H    PHE   6           HN       PHE   6  -6.334   3.292   3.292
   40    HA   PHE   6           HA       PHE   6  -8.940   3.216   3.216
   41   1HB   PHE   6           HB2      PHE   6  -6.256   2.276   2.276
   42   2HB   PHE   6           HB3      PHE   6  -7.652   1.666   1.666
   43    HD1  PHE   6           HD1      PHE   6  -9.495   3.847   3.847
   44    HD2  PHE   6           HD2      PHE   6  -5.258   3.956   3.956
   45    HE1  PHE   6           HE1      PHE   6  -9.613   5.982   5.982
   46    HE2  PHE   6           HE2      PHE   6  -5.376   6.090   6.090
   47   1HZ   PHE   6           HZ       PHE   6  -7.552   7.078   7.078
   48    H    ARG   7           HN       ARG   7  -9.844   1.189   1.189
   49    HA   ARG   7           HA       ARG   7 -11.042  -0.611  -0.611
   50   1HB   ARG   7           HB2      ARG   7  -9.729  -2.691  -2.691
   51   2HB   ARG   7           HB3      ARG   7  -8.880  -1.495  -1.495
   52   1HG   ARG   7           HG2      ARG   7  -8.251  -1.695  -1.695
   53   2HG   ARG   7           HG3      ARG   7  -7.604  -2.915  -2.915
   54   1HD   ARG   7           HD2      ARG   7  -7.260  -0.169  -0.169
   55   2HD   ARG   7           HD3      ARG   7  -6.471  -0.401  -0.401
   56    HE   ARG   7           HE       ARG   7  -5.784  -1.727  -1.727
   57   1HH1  ARG   7           HH2      ARG   7  -5.392  -1.754  -1.754
   58   2HH1  ARG   7           HH2      ARG   7  -3.938  -2.695  -2.695
   59    HH2  ARG   7           HH1      ARG   7  -3.060  -3.398  -3.398
   60    H    ASN   8           HN       ASN   8 -10.631  -2.958  -2.958
   61    HA   ASN   8           HA       ASN   8 -10.830  -1.761  -1.761
   62   1HB   ASN   8           HB2      ASN   8 -12.704  -3.331  -3.331
   63   2HB   ASN   8           HB3      ASN   8 -13.123  -2.275  -2.275
   64   1HD2  ASN   8           HD2      ASN   8 -12.729  -6.332  -6.332
   65   2HD2  ASN   8           HD2      ASN   8 -12.327  -5.493  -5.493
   66    H    GLN   9           HN       GLN   9 -10.447  -3.467  -3.467
   67    HA   GLN   9           HA       GLN   9  -9.168  -5.864  -5.864
   68   1HB   GLN   9           HB2      GLN   9  -7.720  -3.557  -3.557
   69   2HB   GLN   9           HB3      GLN   9  -7.451  -4.971  -4.971
   70   1HG   GLN   9           HG2      GLN   9  -7.257  -5.193  -5.193
   71   2HG   GLN   9           HG3      GLN   9  -5.908  -4.556  -4.556
   72   1HE2  GLN   9           HE2      GLN   9  -6.739  -8.531  -8.531
   73   2HE2  GLN   9           HE2      GLN   9  -7.623  -7.312  -7.312
   74    H    ARG  10           HN       ARG  10 -10.753  -7.173  -7.173
   75    HA   ARG  10           HA       ARG  10 -10.713  -7.117  -7.117
   76   1HB   ARG  10           HB2      ARG  10 -12.836  -5.993  -5.993
   77   2HB   ARG  10           HB3      ARG  10 -13.344  -7.658  -7.658
   78   1HG   ARG  10           HG2      ARG  10 -13.044  -8.018  -8.018
   79   2HG   ARG  10           HG3      ARG  10 -12.627  -6.325  -6.325
   80   1HD   ARG  10           HD2      ARG  10 -14.895  -6.138  -6.138
   81   2HD   ARG  10           HD3      ARG  10 -14.965  -5.999  -5.999
   82    HE   ARG  10           HE       ARG  10 -16.038  -8.072  -8.072
   83   1HH1  ARG  10           HH2      ARG  10 -14.343  -7.816  -7.816
   84   2HH1  ARG  10           HH2      ARG  10 -14.990  -9.300  -9.300
   85    HH2  ARG  10           HH1      ARG  10 -16.486 -10.584 -10.584
   86    H    LYS  11           HN       LYS  11 -11.866  -8.799  -8.799
   87    HA   LYS  11           HA       LYS  11 -10.753 -11.267 -11.267
   88   1HB   LYS  11           HB2      LYS  11 -13.240 -10.969 -10.969
   89   2HB   LYS  11           HB3      LYS  11 -13.618 -11.338 -11.338
   90   1HG   LYS  11           HG2      LYS  11 -13.604 -13.488 -13.488
   91   2HG   LYS  11           HG3      LYS  11 -11.947 -13.372 -13.372
   92   1HD   LYS  11           HD2      LYS  11 -12.326 -12.278 -12.278
   93   2HD   LYS  11           HD3      LYS  11 -12.746 -13.975 -13.975
   94   1HE   LYS  11           HE2      LYS  11 -10.458 -14.211 -14.211
   95   2HE   LYS  11           HE3      LYS  11 -10.077 -12.651 -12.651
   96   1HZ   LYS  11           HZ1      LYS  11  -9.335 -14.434 -14.434
   97   2HZ   LYS  11           HZ2      LYS  11 -10.529 -13.626 -13.626
   98    H    THR  12           HN       THR  12 -13.122 -10.355 -10.355
   99    HA   THR  12           HA       THR  12 -11.021 -11.014 -11.014
  100    HB   THR  12           HB       THR  12 -13.952 -11.903 -11.903
  101    HG1  THR  12           HG1      THR  12 -11.273 -13.087 -13.087
  102   1HG2  THR  12           HG2      THR  12 -12.059 -11.595 -11.595
  103   2HG2  THR  12           HG2      THR  12 -12.522 -13.297 -13.297
  104   3HG2  THR  12           HG2      THR  12 -13.775 -12.065 -12.065
  105    H    VAL  13           HN       VAL  13 -14.425 -10.071 -10.071
  106    HA   VAL  13           HA       VAL  13 -13.507  -7.392  -7.392
  107    HB   VAL  13           HB       VAL  13 -14.907  -7.628  -7.628
  108   1HG1  VAL  13           HG1      VAL  13 -12.179  -8.731  -8.731
  109   2HG1  VAL  13           HG1      VAL  13 -12.906  -9.026  -9.026
  110   3HG1  VAL  13           HG1      VAL  13 -12.692  -7.359  -7.359
  111   1HG2  VAL  13           HG2      VAL  13 -15.548 -10.096 -10.096
  112   2HG2  VAL  13           HG2      VAL  13 -15.716  -9.612  -9.612
  113   3HG2  VAL  13           HG2      VAL  13 -14.270 -10.502 -10.502
  114    H    LYS  14           HN       LYS  14 -15.324  -5.843  -5.843
  115    HA   LYS  14           HA       LYS  14 -17.771  -6.844  -6.844
  116   1HB   LYS  14           HB2      LYS  14 -17.792  -5.207  -5.207
  117   2HB   LYS  14           HB3      LYS  14 -16.122  -5.734  -5.734
  118   1HG   LYS  14           HG2      LYS  14 -15.507  -3.804  -3.804
  119   2HG   LYS  14           HG3      LYS  14 -17.181  -3.289  -3.289
  120   1HD   LYS  14           HD2      LYS  14 -16.186  -3.693  -3.693
  121   2HD   LYS  14           HD3      LYS  14 -15.278  -2.478  -2.478
  122   1HE   LYS  14           HE2      LYS  14 -17.142  -1.070  -1.070
  123   2HE   LYS  14           HE3      LYS  14 -18.291  -2.389  -2.389
  124   1HZ   LYS  14           HZ1      LYS  14 -16.921  -1.008  -1.008
  125   2HZ   LYS  14           HZ2      LYS  14 -18.492  -1.418  -1.418
  126    H    CYS  15           HN       CYS  15 -19.559  -6.288  -6.288
  127    HA   CYS  15           HA       CYS  15 -19.306  -4.854  -4.854
  128   1HB   CYS  15           HB2      CYS  15 -20.991  -6.537  -6.537
  129   2HB   CYS  15           HB3      CYS  15 -21.721  -5.709  -5.709
  130    H    PHE  16           HN       PHE  16 -19.037  -2.660  -2.660
  131    HA   PHE  16           HA       PHE  16 -19.698  -0.978  -0.978
  132   1HB   PHE  16           HB2      PHE  16 -17.577  -0.883  -0.883
  133   2HB   PHE  16           HB3      PHE  16 -18.596  -0.371  -0.371
  134    HD1  PHE  16           HD1      PHE  16 -17.710   0.599   0.599
  135    HD2  PHE  16           HD2      PHE  16 -18.925   1.894   1.894
  136    HE1  PHE  16           HE1      PHE  16 -17.451   2.989   2.989
  137    HE2  PHE  16           HE2      PHE  16 -18.666   4.284   4.284
  138   1HZ   PHE  16           HZ       PHE  16 -17.933   4.803   4.803
  139    H    ASN  17           HN       ASN  17 -21.736  -2.359  -2.359
  140    HA   ASN  17           HA       ASN  17 -23.031   0.099   0.099
  141   1HB   ASN  17           HB2      ASN  17 -22.578  -1.865  -1.865
  142   2HB   ASN  17           HB3      ASN  17 -23.795  -2.763  -2.763
  143   1HD2  ASN  17           HD2      ASN  17 -25.405  -1.164  -1.164
  144   2HD2  ASN  17           HD2      ASN  17 -24.125  -2.293  -2.293
  145    H    CYS  18           HN       CYS  18 -23.542  -3.114  -3.114
  146    HA   CYS  18           HA       CYS  18 -26.015  -2.054  -2.054
  147   1HB   CYS  18           HB2      CYS  18 -26.545  -4.412  -4.412
  148   2HB   CYS  18           HB3      CYS  18 -26.415  -4.070  -4.070
  149    H    GLY  19           HN       GLY  19 -22.730  -3.267  -3.267
  150   1HA   GLY  19           HA1      GLY  19 -21.482  -2.723  -2.723
  151   2HA   GLY  19           HA2      GLY  19 -22.946  -2.401  -2.401
  152    H    LYS  20           HN       LYS  20 -22.737  -5.325  -5.325
  153    HA   LYS  20           HA       LYS  20 -22.779  -6.890  -6.890
  154   1HB   LYS  20           HB2      LYS  20 -23.682  -7.416  -7.416
  155   2HB   LYS  20           HB3      LYS  20 -23.476  -8.722  -8.722
  156   1HG   LYS  20           HG2      LYS  20 -24.989  -7.408  -7.408
  157   2HG   LYS  20           HG3      LYS  20 -25.320  -6.308  -6.308
  158   1HD   LYS  20           HD2      LYS  20 -25.647  -9.070  -9.070
  159   2HD   LYS  20           HD3      LYS  20 -26.608  -8.788  -8.788
  160   1HE   LYS  20           HE2      LYS  20 -26.816  -6.523  -6.523
  161   2HE   LYS  20           HE3      LYS  20 -27.253  -8.022  -8.022
  162   1HZ   LYS  20           HZ1      LYS  20 -28.640  -6.639  -6.639
  163   2HZ   LYS  20           HZ2      LYS  20 -29.231  -7.687  -7.687
  164    H    GLU  21           HN       GLU  21 -21.083  -8.136  -8.136
  165    HA   GLU  21           HA       GLU  21 -18.710  -7.933  -7.933
  166   1HB   GLU  21           HB2      GLU  21 -17.660  -9.135  -9.135
  167   2HB   GLU  21           HB3      GLU  21 -18.618  -7.777  -7.777
  168   1HG   GLU  21           HG2      GLU  21 -20.440  -9.946  -9.946
  169   2HG   GLU  21           HG3      GLU  21 -18.961 -10.638 -10.638
  170    HE1  GLU  21           HE2      GLU  21 -18.035  -8.382  -8.382
  171    H    GLY  22           HN       GLY  22 -18.125  -9.317  -9.317
  172   1HA   GLY  22           HA1      GLY  22 -17.815 -11.934 -11.934
  173   2HA   GLY  22           HA2      GLY  22 -19.554 -11.856 -11.856
  174    H    HIS  23           HN       HIS  23 -20.030  -9.696  -9.696
  175    HA   HIS  23           HA       HIS  23 -18.505 -10.413 -10.413
  176   1HB   HIS  23           HB2      HIS  23 -20.442 -10.013 -10.013
  177   2HB   HIS  23           HB3      HIS  23 -20.932 -11.028 -11.028
  178    HD1  HIS  23           HD1      HIS  23 -22.400  -9.891  -9.891
  179    HD2  HIS  23           HD2      HIS  23 -21.663  -7.497  -7.497
  180    HE1  HIS  23           HE1      HIS  23 -24.051  -7.950  -7.950
  181    H    ILE  24           HN       ILE  24 -18.292  -8.592  -8.592
  182    HA   ILE  24           HA       ILE  24 -17.580  -6.180  -6.180
  183    HB   ILE  24           HB       ILE  24 -16.399  -5.626  -5.626
  184   1HG1  ILE  24           HG1      ILE  24 -16.897  -8.522  -8.522
  185   2HG1  ILE  24           HG1      ILE  24 -17.848  -7.204  -7.204
  186   1HG2  ILE  24           HG2      ILE  24 -15.733  -7.916  -7.916
  187   2HG2  ILE  24           HG2      ILE  24 -14.693  -7.599  -7.599
  188   3HG2  ILE  24           HG2      ILE  24 -14.943  -6.331  -6.331
  189   1HD1  ILE  24           HD1      ILE  24 -15.774  -6.133  -6.133
  190   2HD1  ILE  24           HD1      ILE  24 -14.814  -7.480  -7.480
  191   3HD1  ILE  24           HD1      ILE  24 -15.989  -7.777  -7.777
  192    H    ALA  25           HN       ALA  25 -18.098  -4.037  -4.037
  193    HA   ALA  25           HA       ALA  25 -20.836  -3.810  -3.810
  194   1HB   ALA  25           HB1      ALA  25 -18.483  -2.106  -2.106
  195   2HB   ALA  25           HB2      ALA  25 -19.596  -1.505  -1.505
  196   3HB   ALA  25           HB3      ALA  25 -20.178  -1.753  -1.753
  197    H    LYS  26           HN       LYS  26 -18.019  -3.975  -3.975
  198    HA   LYS  26           HA       LYS  26 -19.477  -3.358  -3.358
  199   1HB   LYS  26           HB2      LYS  26 -17.006  -3.215  -3.215
  200   2HB   LYS  26           HB3      LYS  26 -16.920  -4.964  -4.964
  201   1HG   LYS  26           HG2      LYS  26 -18.496  -3.929  -3.929
  202   2HG   LYS  26           HG3      LYS  26 -16.826  -3.397  -3.397
  203   1HD   LYS  26           HD2      LYS  26 -16.229  -5.423  -5.423
  204   2HD   LYS  26           HD3      LYS  26 -16.712  -6.146  -6.146
  205   1HE   LYS  26           HE2      LYS  26 -18.686  -6.962  -6.962
  206   2HE   LYS  26           HE3      LYS  26 -18.989  -5.523  -5.523
  207   1HZ   LYS  26           HZ1      LYS  26 -16.980  -7.589  -7.589
  208   2HZ   LYS  26           HZ2      LYS  26 -18.471  -7.494  -7.494
  209    H    ASN  27           HN       ASN  27 -19.435  -6.134  -6.134
  210    HA   ASN  27           HA       ASN  27 -20.688  -7.673  -7.673
  211   1HB   ASN  27           HB2      ASN  27 -18.521  -8.551  -8.551
  212   2HB   ASN  27           HB3      ASN  27 -19.545  -8.830  -8.830
  213   1HD2  ASN  27           HD2      ASN  27 -21.044 -11.736 -11.736
  214   2HD2  ASN  27           HD2      ASN  27 -20.859 -10.543 -10.543
  215    H    CYS  28           HN       CYS  28 -21.928  -5.586  -5.586
  216    HA   CYS  28           HA       CYS  28 -23.334  -6.975  -6.975
  217   1HB   CYS  28           HB2      CYS  28 -22.770  -4.623  -4.623
  218   2HB   CYS  28           HB3      CYS  28 -23.676  -4.184  -4.184
  219    H    ARG  29           HN       ARG  29 -24.841  -8.500  -8.500
  220    HA   ARG  29           HA       ARG  29 -26.238  -8.080  -8.080
  221   1HB   ARG  29           HB2      ARG  29 -27.076 -10.370 -10.370
  222   2HB   ARG  29           HB3      ARG  29 -25.350 -10.343 -10.343
  223   1HG   ARG  29           HG2      ARG  29 -26.828  -9.740  -9.740
  224   2HG   ARG  29           HG3      ARG  29 -27.380 -11.252 -11.252
  225   1HD   ARG  29           HD2      ARG  29 -25.424 -12.330 -12.330
  226   2HD   ARG  29           HD3      ARG  29 -24.437 -11.003 -11.003
  227    HE   ARG  29           HE       ARG  29 -25.377  -9.939  -9.939
  228   1HH1  ARG  29           HH2      ARG  29 -24.014 -13.142 -13.142
  229   2HH1  ARG  29           HH2      ARG  29 -23.382 -13.340 -13.340
  230    HH2  ARG  29           HH1      ARG  29 -23.704 -11.598 -11.598
  231    H    ALA  30           HN       ALA  30 -26.645  -6.465  -6.465
  232    HA   ALA  30           HA       ALA  30 -29.559  -6.778  -6.778
  233   1HB   ALA  30           HB1      ALA  30 -28.073  -7.704  -7.704
  234   2HB   ALA  30           HB2      ALA  30 -28.168  -5.994  -5.994
  235   3HB   ALA  30           HB3      ALA  30 -29.660  -6.935  -6.935
  236    HA   PRO  31           HA       PRO  31 -28.166  -2.521  -2.521
  237   1HB   PRO  31           HB2      PRO  31 -29.352  -2.174  -2.174
  238   2HB   PRO  31           HB3      PRO  31 -27.679  -2.657  -2.657
  239   1HG   PRO  31           HG2      PRO  31 -30.004  -4.302  -4.302
  240   2HG   PRO  31           HG3      PRO  31 -28.297  -4.641  -4.641
  241   1HD   PRO  31           HD2      PRO  31 -30.044  -5.784  -5.784
  242   2HD   PRO  31           HD3      PRO  31 -28.315  -6.033  -6.033
  243    H    ARG  32           HN       ARG  32 -29.289  -0.520  -0.520
  244    HA   ARG  32           HA       ARG  32 -30.983   0.727   0.727
  245   1HB   ARG  32           HB2      ARG  32 -32.266  -1.365  -1.365
  246   2HB   ARG  32           HB3      ARG  32 -33.355  -0.836  -0.836
  247   1HG   ARG  32           HG2      ARG  32 -33.283   1.454   1.454
  248   2HG   ARG  32           HG3      ARG  32 -31.873   1.173   1.173
  249   1HD   ARG  32           HD2      ARG  32 -33.615   1.184   1.184
  250   2HD   ARG  32           HD3      ARG  32 -33.399  -0.530  -0.530
  251    HE   ARG  32           HE       ARG  32 -35.285   0.060   0.060
  252   1HH1  ARG  32           HH2      ARG  32 -35.090   0.938   0.938
  253   2HH1  ARG  32           HH2      ARG  32 -36.808   1.009   1.009
  254    HH2  ARG  32           HH1      ARG  32 -38.236   0.544   0.544
  255    H    LYS  33           HN       LYS  33 -31.962  -2.689  -2.689
  256    HA   LYS  33           HA       LYS  33 -32.473  -3.650  -3.650
  257   1HB   LYS  33           HB2      LYS  33 -30.763  -1.390  -1.390
  258   2HB   LYS  33           HB3      LYS  33 -31.672  -2.308  -2.308
  259   1HG   LYS  33           HG2      LYS  33 -30.259  -4.079  -4.079
  260   2HG   LYS  33           HG3      LYS  33 -30.425  -4.126  -4.126
  261   1HD   LYS  33           HD2      LYS  33 -28.069  -3.712  -3.712
  262   2HD   LYS  33           HD3      LYS  33 -28.714  -2.353  -2.353
  263   1HE   LYS  33           HE2      LYS  33 -29.366  -1.530  -1.530
  264   2HE   LYS  33           HE3      LYS  33 -27.990  -2.536  -2.536
  265   1HZ   LYS  33           HZ1      LYS  33 -26.600  -1.240  -1.240
  266   2HZ   LYS  33           HZ2      LYS  33 -27.852  -0.456  -0.456
  267    H    LYS  34           HN       LYS  34 -33.913  -3.397  -3.397
  268    HA   LYS  34           HA       LYS  34 -36.333  -2.398  -2.398
  269   1HB   LYS  34           HB2      LYS  34 -35.571  -3.932  -3.932
  270   2HB   LYS  34           HB3      LYS  34 -35.486  -2.440  -2.440
  271   1HG   LYS  34           HG2      LYS  34 -37.706  -3.238  -3.238
  272   2HG   LYS  34           HG3      LYS  34 -37.885  -1.948  -1.948
  273   1HD   LYS  34           HD2      LYS  34 -39.104  -3.542  -3.542
  274   2HD   LYS  34           HD3      LYS  34 -37.524  -4.008  -4.008
  275   1HE   LYS  34           HE2      LYS  34 -37.370  -5.600  -5.600
  276   2HE   LYS  34           HE3      LYS  34 -39.069  -5.268  -5.268
  277   1HZ   LYS  34           HZ1      LYS  34 -39.642  -6.261  -6.261
  278   2HZ   LYS  34           HZ2      LYS  34 -38.133  -6.185  -6.185
  279    H    GLY  35           HN       GLY  35 -37.543  -0.489  -0.489
  280   1HA   GLY  35           HA1      GLY  35 -36.349   1.909   1.909
  281   2HA   GLY  35           HA2      GLY  35 -37.874   1.708   1.708
  282    H    CYS  36           HN       CYS  36 -36.436   3.876   3.876
  283    HA   CYS  36           HA       CYS  36 -34.487   3.451   3.451
  284   1HB   CYS  36           HB2      CYS  36 -34.990   5.597   5.597
  285   2HB   CYS  36           HB3      CYS  36 -36.419   5.771   5.771
  286    H    TRP  37           HN       TRP  37 -34.736   2.364   2.364
  287    HA   TRP  37           HA       TRP  37 -37.413   2.117   2.117
  288   1HB   TRP  37           HB2      TRP  37 -35.561   0.261   0.261
  289   2HB   TRP  37           HB3      TRP  37 -34.992   0.857   0.857
  290    HD1  TRP  37           HD1      TRP  37 -38.782   0.721   0.721
  291    HE1  TRP  37           HE1      TRP  37 -39.968  -1.062  -1.062
  292    HE3  TRP  37           HE3      TRP  37 -34.501  -1.265  -1.265
  293    HZ2  TRP  37           HZ2      TRP  37 -39.004  -3.059  -3.059
  294    HZ3  TRP  37           HZ3      TRP  37 -34.711  -3.128  -3.128
  295    HH2  TRP  37           HH2      TRP  37 -36.865  -4.026  -4.026
  296    H    LYS  38           HN       LYS  38 -35.450   4.603   4.603
  297    HA   LYS  38           HA       LYS  38 -35.343   5.012   5.012
  298   1HB   LYS  38           HB2      LYS  38 -33.257   5.213   5.213
  299   2HB   LYS  38           HB3      LYS  38 -33.969   6.695   6.695
  300   1HG   LYS  38           HG2      LYS  38 -32.478   7.238   7.238
  301   2HG   LYS  38           HG3      LYS  38 -34.129   7.567   7.567
  302   1HD   LYS  38           HD2      LYS  38 -33.980   6.093   6.093
  303   2HD   LYS  38           HD3      LYS  38 -33.519   4.801   4.801
  304   1HE   LYS  38           HE2      LYS  38 -31.148   5.517   5.517
  305   2HE   LYS  38           HE3      LYS  38 -31.577   6.892   6.892
  306   1HZ   LYS  38           HZ1      LYS  38 -31.782   5.570   5.570
  307   2HZ   LYS  38           HZ2      LYS  38 -32.473   4.330   4.330
  308    H    CYS  39           HN       CYS  39 -36.452   6.428   6.428
  309    HA   CYS  39           HA       CYS  39 -38.074   8.285   8.285
  310   1HB   CYS  39           HB2      CYS  39 -38.306   9.532   9.532
  311   2HB   CYS  39           HB3      CYS  39 -36.702   9.519   9.519
  312    H    GLY  40           HN       GLY  40 -38.000   5.539   5.539
  313   1HA   GLY  40           HA1      GLY  40 -39.765   4.058   4.058
  314   2HA   GLY  40           HA2      GLY  40 -40.905   5.296   5.296
  315    H    LYS  41           HN       LYS  41 -38.465   6.392   6.392
  316    HA   LYS  41           HA       LYS  41 -40.503   6.440   6.440
  317   1HB   LYS  41           HB2      LYS  41 -38.572   8.326   8.326
  318   2HB   LYS  41           HB3      LYS  41 -38.208   7.976   7.976
  319   1HG   LYS  41           HG2      LYS  41 -39.832   9.533   9.533
  320   2HG   LYS  41           HG3      LYS  41 -40.936   8.201   8.201
  321   1HD   LYS  41           HD2      LYS  41 -40.888   8.882   8.882
  322   2HD   LYS  41           HD3      LYS  41 -40.084  10.351  10.351
  323   1HE   LYS  41           HE2      LYS  41 -42.302  11.066  11.066
  324   2HE   LYS  41           HE3      LYS  41 -42.115  10.505  10.505
  325   1HZ   LYS  41           HZ1      LYS  41 -43.680   8.960   8.960
  326   2HZ   LYS  41           HZ2      LYS  41 -42.865   8.329   8.329
  327    H    GLU  42           HN       GLU  42 -40.374   5.106   5.106
  328    HA   GLU  42           HA       GLU  42 -38.101   3.378   3.378
  329   1HB   GLU  42           HB2      GLU  42 -39.397   2.174   2.174
  330   2HB   GLU  42           HB3      GLU  42 -40.398   2.499   2.499
  331   1HG   GLU  42           HG2      GLU  42 -40.715   4.777   4.777
  332   2HG   GLU  42           HG3      GLU  42 -40.732   3.415   3.415
  333    HE1  GLU  42           HE2      GLU  42 -42.188   1.580   1.580
  334    H    GLY  43           HN       GLY  43 -36.406   3.493   3.493
  335   1HA   GLY  43           HA1      GLY  43 -36.065   4.150   4.150
  336   2HA   GLY  43           HA2      GLY  43 -36.465   5.756   5.756
  337    H    HIS  44           HN       HIS  44 -35.227   5.832   5.832
  338    HA   HIS  44           HA       HIS  44 -32.422   5.598   5.598
  339   1HB   HIS  44           HB2      HIS  44 -31.946   7.460   7.460
  340   2HB   HIS  44           HB3      HIS  44 -33.267   7.895   7.895
  341    HD1  HIS  44           HD1      HIS  44 -35.607   8.312   8.312
  342    HD2  HIS  44           HD2      HIS  44 -32.625   7.253   7.253
  343    HE1  HIS  44           HE1      HIS  44 -36.564   8.803   8.803
  344    H    GLN  45           HN       GLN  45 -31.035   5.643   5.643
  345    HA   GLN  45           HA       GLN  45 -32.257   3.577   3.577
  346   1HB   GLN  45           HB2      GLN  45 -29.749   2.738   2.738
  347   2HB   GLN  45           HB3      GLN  45 -30.754   2.233   2.233
  348   1HG   GLN  45           HG2      GLN  45 -29.808   4.045   4.045
  349   2HG   GLN  45           HG3      GLN  45 -28.842   4.615   4.615
  350   1HE2  GLN  45           HE2      GLN  45 -27.785   1.331   1.331
  351   2HE2  GLN  45           HE2      GLN  45 -29.305   2.143   2.143
  352    H    MET  46           HN       MET  46 -30.622   3.279   3.279
  353    HA   MET  46           HA       MET  46 -30.919   5.567   5.567
  354   1HB   MET  46           HB2      MET  46 -30.394   3.066   3.066
  355   2HB   MET  46           HB3      MET  46 -28.709   3.520   3.520
  356   1HG   MET  46           HG2      MET  46 -28.726   4.779   4.779
  357   2HG   MET  46           HG3      MET  46 -30.317   5.439   5.439
  358   1HE   MET  46           HE3      MET  46 -28.239   3.353   3.353
  359   2HE   MET  46           HE1      MET  46 -29.205   1.994   1.994
  360   3HE   MET  46           HE2      MET  46 -28.545   1.933   1.933
  361    H    LYS  47           HN       LYS  47 -27.935   4.278   4.278
  362    HA   LYS  47           HA       LYS  47 -26.259   6.344   6.344
  363   1HB   LYS  47           HB2      LYS  47 -25.602   4.087   4.087
  364   2HB   LYS  47           HB3      LYS  47 -25.991   4.688   4.688
  365   1HG   LYS  47           HG2      LYS  47 -24.362   6.587   6.587
  366   2HG   LYS  47           HG3      LYS  47 -23.934   5.898   5.898
  367   1HD   LYS  47           HD2      LYS  47 -23.701   4.356   4.356
  368   2HD   LYS  47           HD3      LYS  47 -22.381   5.287   5.287
  369   1HE   LYS  47           HE2      LYS  47 -22.002   3.773   3.773
  370   2HE   LYS  47           HE3      LYS  47 -23.701   3.385   3.385
  371   1HZ   LYS  47           HZ1      LYS  47 -21.792   1.927   1.927
  372   2HZ   LYS  47           HZ2      LYS  47 -23.381   1.592   1.592
  373    H    ASP  48           HN       ASP  48 -28.874   6.275   6.275
  374    HA   ASP  48           HA       ASP  48 -27.924   8.833   8.833
  375   1HB   ASP  48           HB2      ASP  48 -28.379   6.624   6.624
  376   2HB   ASP  48           HB3      ASP  48 -30.011   7.260   7.260
  377    HD1  ASP  48           HD2      ASP  48 -26.999   7.557   7.557
  378    H    CYS  49           HN       CYS  49 -29.413   8.400   8.400
  379    HA   CYS  49           HA       CYS  49 -32.181   8.847   8.847
  380   1HB   CYS  49           HB2      CYS  49 -31.508   7.537   7.537
  381   2HB   CYS  49           HB3      CYS  49 -30.665   8.924   8.924
  382    H    THR  50           HN       THR  50 -32.772  10.839  10.839
  383    HA   THR  50           HA       THR  50 -31.154  13.152  13.152
  384    HB   THR  50           HB       THR  50 -32.677  14.168  14.168
  385    HG1  THR  50           HG1      THR  50 -34.354  11.972  11.972
  386   1HG2  THR  50           HG2      THR  50 -31.688  11.550  11.550
  387   2HG2  THR  50           HG2      THR  50 -33.387  11.549  11.549
  388   3HG2  THR  50           HG2      THR  50 -32.252  12.753  12.753
  389    H    GLU  51           HN       GLU  51 -33.215  11.491  11.491
  390    HA   GLU  51           HA       GLU  51 -34.483  13.823  13.823
  391   1HB   GLU  51           HB2      GLU  51 -35.076  11.081  11.081
  392   2HB   GLU  51           HB3      GLU  51 -34.621  11.374  11.374
  393   1HG   GLU  51           HG2      GLU  51 -36.253  13.585  13.585
  394   2HG   GLU  51           HG3      GLU  51 -37.042  12.202  12.202
  395    HE1  GLU  51           HE2      GLU  51 -36.401  10.290  10.290
  396    H    ARG  52           HN       ARG  52 -31.766  14.266  14.266
  397    HA   ARG  52           HA       ARG  52 -29.971  14.492  14.492
  398   1HB   ARG  52           HB2      ARG  52 -32.188  15.294  15.294
  399   2HB   ARG  52           HB3      ARG  52 -30.496  15.591  15.591
  400   1HG   ARG  52           HG2      ARG  52 -30.464  16.719  16.719
  401   2HG   ARG  52           HG3      ARG  52 -32.206  16.775  16.775
  402   1HD   ARG  52           HD2      ARG  52 -32.079  18.194  18.194
  403   2HD   ARG  52           HD3      ARG  52 -30.392  17.813  17.813
  404    HE   ARG  52           HE       ARG  52 -31.448  19.763  19.763
  405   1HH1  ARG  52           HH2      ARG  52 -28.640  17.815  17.815
  406   2HH1  ARG  52           HH2      ARG  52 -27.505  18.829  18.829
  407    HH2  ARG  52           HH1      ARG  52 -28.299  20.754  20.754
  408    H    GLN  53           HN       GLN  53 -31.076  11.733  11.733
  409    HA   GLN  53           HA       GLN  53 -30.783   9.844   9.844
  410   1HB   GLN  53           HB2      GLN  53 -28.415  11.086  11.086
  411   2HB   GLN  53           HB3      GLN  53 -28.835  10.958  10.958
  412   1HG   GLN  53           HG2      GLN  53 -28.006   8.842   8.842
  413   2HG   GLN  53           HG3      GLN  53 -29.466   8.414   8.414
  414   1HE2  GLN  53           HE2      GLN  53 -25.942   9.175   9.175
  415   2HE2  GLN  53           HE2      GLN  53 -26.284   9.918   9.918
  416    H    ALA  54           HN       ALA  54 -31.440   8.578   8.578
  417    HA   ALA  54           HA       ALA  54 -32.922   8.229   8.229
  418   1HB   ALA  54           HB3      ALA  54 -30.735   8.931   8.931
  419   2HB   ALA  54           HB1      ALA  54 -31.507  10.510  10.510
  420   3HB   ALA  54           HB2      ALA  54 -32.211   9.037   9.037
  421    H    ASN  55           HN       ASN  55 -34.910   8.797   8.797
  422    HA   ASN  55           HA       ASN  55 -35.806  11.262  11.262
  423   1HB   ASN  55           HB2      ASN  55 -38.062  10.325  10.325
  424   2HB   ASN  55           HB3      ASN  55 -36.989   9.053   9.053
  425   1HD2  ASN  55           HD2      ASN  55 -38.942   8.871   8.871
  426   2HD2  ASN  55           HD2      ASN  55 -38.935  10.282  10.282

  Start of MODEL   22
    1    H    MET   1           HN       MET   1   1.884   0.000   0.000
    2    HA   MET   1           HA       MET   1   3.080   0.323   0.323
    3   1HB   MET   1           HB2      MET   1   2.396  -2.126  -2.126
    4   2HB   MET   1           HB3      MET   1   1.066  -1.688  -1.688
    5   1HG   MET   1           HG2      MET   1   2.635  -0.858  -0.858
    6   2HG   MET   1           HG3      MET   1   3.999  -1.119  -1.119
    7   1HE   MET   1           HE2      MET   1   5.100  -3.244  -3.244
    8   2HE   MET   1           HE3      MET   1   3.681  -3.857  -3.857
    9   3HE   MET   1           HE1      MET   1   4.477  -4.876  -4.876
   10    H    GLN   2           HN       GLN   2  -0.371   0.050   0.050
   11    HA   GLN   2           HA       GLN   2  -0.255   2.647   2.647
   12   1HB   GLN   2           HB2      GLN   2   0.500   0.431   0.431
   13   2HB   GLN   2           HB3      GLN   2  -0.971   1.175   1.175
   14   1HG   GLN   2           HG2      GLN   2   1.578   2.704   2.704
   15   2HG   GLN   2           HG3      GLN   2   1.116   2.243   2.243
   16   1HE2  GLN   2           HE2      GLN   2  -0.009   3.618   3.618
   17   2HE2  GLN   2           HE2      GLN   2  -0.928   4.965   4.965
   18    H    LYS   3           HN       LYS   3  -1.899  -0.550  -0.550
   19    HA   LYS   3           HA       LYS   3  -4.442   0.574   0.574
   20   1HB   LYS   3           HB2      LYS   3  -5.221  -1.772  -1.772
   21   2HB   LYS   3           HB3      LYS   3  -3.963  -1.588  -1.588
   22   1HG   LYS   3           HG2      LYS   3  -2.818  -2.056  -2.056
   23   2HG   LYS   3           HG3      LYS   3  -3.930  -3.335  -3.335
   24   1HD   LYS   3           HD2      LYS   3  -1.799  -2.358  -2.358
   25   2HD   LYS   3           HD3      LYS   3  -1.434  -3.571  -3.571
   26   1HE   LYS   3           HE2      LYS   3  -3.376  -4.956  -4.956
   27   2HE   LYS   3           HE3      LYS   3  -3.577  -3.776  -3.776
   28   1HZ   LYS   3           HZ1      LYS   3  -0.912  -4.953  -4.953
   29   2HZ   LYS   3           HZ2      LYS   3  -2.043  -5.845  -5.845
   30    H    GLY   4           HN       GLY   4  -2.524  -0.423  -0.423
   31   1HA   GLY   4           HA1      GLY   4  -4.689   0.633   0.633
   32   2HA   GLY   4           HA2      GLY   4  -3.886  -0.878  -0.878
   33    H    ASN   5           HN       ASN   5  -3.993   1.949   1.949
   34    HA   ASN   5           HA       ASN   5  -1.234   2.708   2.708
   35   1HB   ASN   5           HB2      ASN   5  -3.750   3.805   3.805
   36   2HB   ASN   5           HB3      ASN   5  -2.236   4.264   4.264
   37   1HD2  ASN   5           HD2      ASN   5  -3.100   5.396   5.396
   38   2HD2  ASN   5           HD2      ASN   5  -3.807   3.989   3.989
   39    H    PHE   6           HN       PHE   6   0.022   1.103   1.103
   40    HA   PHE   6           HA       PHE   6  -0.715  -0.447  -0.447
   41   1HB   PHE   6           HB2      PHE   6   1.828   0.762   0.762
   42   2HB   PHE   6           HB3      PHE   6   1.967   0.007   0.007
   43    HD1  PHE   6           HD2      PHE   6   0.275  -2.329  -2.329
   44    HD2  PHE   6           HD1      PHE   6   2.790  -0.638  -0.638
   45    HE1  PHE   6           HE2      PHE   6   0.492  -4.577  -4.577
   46    HE2  PHE   6           HE1      PHE   6   3.008  -2.885  -2.885
   47   1HZ   PHE   6           HZ       PHE   6   1.856  -4.828  -4.828
   48    H    ARG   7           HN       ARG   7   0.356  -0.365  -0.365
   49    HA   ARG   7           HA       ARG   7   0.217   2.369   2.369
   50   1HB   ARG   7           HB2      ARG   7  -1.898   0.834   0.834
   51   2HB   ARG   7           HB3      ARG   7  -0.897   0.052   0.052
   52   1HG   ARG   7           HG2      ARG   7  -0.532   2.227   2.227
   53   2HG   ARG   7           HG3      ARG   7  -1.459   3.054   3.054
   54   1HD   ARG   7           HD2      ARG   7  -3.002   2.728   2.728
   55   2HD   ARG   7           HD3      ARG   7  -3.433   1.506   1.506
   56    HE   ARG   7           HE       ARG   7  -2.149   1.046   1.046
   57   1HH1  ARG   7           HH2      ARG   7  -3.042  -0.342  -0.342
   58   2HH1  ARG   7           HH2      ARG   7  -2.940  -1.979  -1.979
   59    HH2  ARG   7           HH1      ARG   7  -2.336  -2.410  -2.410
   60    H    ASN   8           HN       ASN   8   2.557   2.377   2.377
   61    HA   ASN   8           HA       ASN   8   4.543   1.885   1.885
   62   1HB   ASN   8           HB2      ASN   8   4.752   1.837   1.837
   63   2HB   ASN   8           HB3      ASN   8   3.478   2.956   2.956
   64   1HD2  ASN   8           HD2      ASN   8   2.749  -0.468  -0.468
   65   2HD2  ASN   8           HD2      ASN   8   4.295  -0.072  -0.072
   66    H    GLN   9           HN       GLN   9   5.520   0.102   0.102
   67    HA   GLN   9           HA       GLN   9   4.362  -2.465  -2.465
   68   1HB   GLN   9           HB2      GLN   9   6.486  -1.569  -1.569
   69   2HB   GLN   9           HB3      GLN   9   7.192  -2.739  -2.739
   70   1HG   GLN   9           HG2      GLN   9   4.732  -3.177  -3.177
   71   2HG   GLN   9           HG3      GLN   9   6.319  -3.874  -3.874
   72   1HE2  GLN   9           HE2      GLN   9   5.926  -6.569  -6.569
   73   2HE2  GLN   9           HE2      GLN   9   6.866  -5.711  -5.711
   74    H    ARG  10           HN       ARG  10   4.070  -2.607  -2.607
   75    HA   ARG  10           HA       ARG  10   6.310  -2.075  -2.075
   76   1HB   ARG  10           HB2      ARG  10   4.733  -2.683  -2.683
   77   2HB   ARG  10           HB3      ARG  10   4.032  -1.496  -1.496
   78   1HG   ARG  10           HG2      ARG  10   2.503  -3.010  -3.010
   79   2HG   ARG  10           HG3      ARG  10   3.543  -4.395  -4.395
   80   1HD   ARG  10           HD2      ARG  10   1.796  -4.657  -4.657
   81   2HD   ARG  10           HD3      ARG  10   3.142  -4.033  -4.033
   82    HE   ARG  10           HE       ARG  10   1.901  -2.103  -2.103
   83   1HH1  ARG  10           HH2      ARG  10   0.571  -3.671  -3.671
   84   2HH1  ARG  10           HH2      ARG  10  -0.755  -2.566  -2.566
   85    HH2  ARG  10           HH1      ARG  10  -0.982  -0.795  -0.795
   86    H    LYS  11           HN       LYS  11   6.786  -3.833  -3.833
   87    HA   LYS  11           HA       LYS  11   7.930  -5.738  -5.738
   88   1HB   LYS  11           HB2      LYS  11   6.495  -7.395  -7.395
   89   2HB   LYS  11           HB3      LYS  11   5.335  -6.095  -6.095
   90   1HG   LYS  11           HG2      LYS  11   5.414  -7.023  -7.023
   91   2HG   LYS  11           HG3      LYS  11   5.774  -8.504  -8.504
   92   1HD   LYS  11           HD2      LYS  11   3.692  -7.556  -7.556
   93   2HD   LYS  11           HD3      LYS  11   3.255  -6.892  -6.892
   94   1HE   LYS  11           HE2      LYS  11   2.763  -8.954  -8.954
   95   2HE   LYS  11           HE3      LYS  11   4.146  -9.722  -9.722
   96   1HZ   LYS  11           HZ1      LYS  11   1.517  -9.168  -9.168
   97   2HZ   LYS  11           HZ2      LYS  11   2.258 -10.609 -10.609
   98    H    THR  12           HN       THR  12   8.273  -4.526  -4.526
   99    HA   THR  12           HA       THR  12   8.137  -6.525  -6.525
  100    HB   THR  12           HB       THR  12   8.232  -4.192  -4.192
  101    HG1  THR  12           HG1      THR  12   9.604  -4.975  -4.975
  102   1HG2  THR  12           HG2      THR  12  10.176  -4.017  -4.017
  103   2HG2  THR  12           HG2      THR  12  10.920  -3.444  -3.444
  104   3HG2  THR  12           HG2      THR  12   9.421  -2.691  -2.691
  105    H    VAL  13           HN       VAL  13   9.318  -8.292  -8.292
  106    HA   VAL  13           HA       VAL  13  12.058  -8.310  -8.310
  107    HB   VAL  13           HB       VAL  13  11.791 -10.452 -10.452
  108   1HG1  VAL  13           HG1      VAL  13  11.005  -8.177  -8.177
  109   2HG1  VAL  13           HG1      VAL  13   9.429  -9.004  -9.004
  110   3HG1  VAL  13           HG1      VAL  13  10.827  -9.738  -9.738
  111   1HG2  VAL  13           HG2      VAL  13   9.347 -10.548 -10.548
  112   2HG2  VAL  13           HG2      VAL  13  10.214 -11.861 -11.861
  113   3HG2  VAL  13           HG2      VAL  13   9.013 -10.887 -10.887
  114    H    LYS  14           HN       LYS  14  13.396  -9.969  -9.969
  115    HA   LYS  14           HA       LYS  14  12.172 -10.946 -10.946
  116   1HB   LYS  14           HB2      LYS  14  13.894 -10.126 -10.126
  117   2HB   LYS  14           HB3      LYS  14  13.506  -8.783  -8.783
  118   1HG   LYS  14           HG2      LYS  14  15.411  -9.382  -9.382
  119   2HG   LYS  14           HG3      LYS  14  15.787 -10.760 -10.760
  120   1HD   LYS  14           HD2      LYS  14  15.632  -8.024  -8.024
  121   2HD   LYS  14           HD3      LYS  14  17.050  -8.427  -8.427
  122   1HE   LYS  14           HE2      LYS  14  16.183 -10.527 -10.527
  123   2HE   LYS  14           HE3      LYS  14  16.761  -9.038  -9.038
  124   1HZ   LYS  14           HZ1      LYS  14  18.570 -10.638 -10.638
  125   2HZ   LYS  14           HZ2      LYS  14  18.814  -9.259  -9.259
  126    H    CYS  15           HN       CYS  15  12.438 -13.101 -13.101
  127    HA   CYS  15           HA       CYS  15  13.917 -14.525 -14.525
  128   1HB   CYS  15           HB2      CYS  15  11.912 -15.452 -15.452
  129   2HB   CYS  15           HB3      CYS  15  12.601 -15.393 -15.393
  130    H    PHE  16           HN       PHE  16  16.137 -14.610 -14.610
  131    HA   PHE  16           HA       PHE  16  17.569 -14.119 -14.119
  132   1HB   PHE  16           HB2      PHE  16  18.006 -13.311 -13.311
  133   2HB   PHE  16           HB3      PHE  16  18.654 -14.920 -14.920
  134    HD1  PHE  16           HD2      PHE  16  19.031 -11.974 -11.974
  135    HD2  PHE  16           HD1      PHE  16  20.898 -15.317 -15.317
  136    HE1  PHE  16           HE2      PHE  16  21.255 -11.216 -11.216
  137    HE2  PHE  16           HE1      PHE  16  23.122 -14.559 -14.559
  138   1HZ   PHE  16           HZ       PHE  16  23.273 -12.518 -12.518
  139    H    ASN  17           HN       ASN  17  15.952 -16.732 -16.732
  140    HA   ASN  17           HA       ASN  17  18.180 -18.572 -18.572
  141   1HB   ASN  17           HB2      ASN  17  16.372 -18.878 -18.878
  142   2HB   ASN  17           HB3      ASN  17  15.245 -19.249 -19.249
  143   1HD2  ASN  17           HD2      ASN  17  16.103 -22.582 -22.582
  144   2HD2  ASN  17           HD2      ASN  17  14.953 -21.302 -21.302
  145    H    CYS  18           HN       CYS  18  14.940 -17.611 -17.611
  146    HA   CYS  18           HA       CYS  18  15.541 -19.169 -19.169
  147   1HB   CYS  18           HB2      CYS  18  13.124 -19.045 -19.045
  148   2HB   CYS  18           HB3      CYS  18  13.510 -19.908 -19.908
  149    H    GLY  19           HN       GLY  19  14.710 -15.992 -15.992
  150   1HA   GLY  19           HA1      GLY  19  15.479 -13.988 -13.988
  151   2HA   GLY  19           HA2      GLY  19  15.495 -14.720 -14.720
  152    H    LYS  20           HN       LYS  20  12.750 -15.260 -15.260
  153    HA   LYS  20           HA       LYS  20  11.125 -13.627 -13.627
  154   1HB   LYS  20           HB2      LYS  20  10.851 -16.270 -16.270
  155   2HB   LYS  20           HB3      LYS  20   9.780 -15.516 -15.516
  156   1HG   LYS  20           HG2      LYS  20   9.323 -14.185 -14.185
  157   2HG   LYS  20           HG3      LYS  20   9.382 -15.899 -15.899
  158   1HD   LYS  20           HD2      LYS  20   7.119 -15.611 -15.611
  159   2HD   LYS  20           HD3      LYS  20   7.792 -16.163 -16.163
  160   1HE   LYS  20           HE2      LYS  20   8.190 -13.442 -13.442
  161   2HE   LYS  20           HE3      LYS  20   6.730 -13.472 -13.472
  162   1HZ   LYS  20           HZ1      LYS  20   5.782 -13.705 -13.705
  163   2HZ   LYS  20           HZ2      LYS  20   6.110 -15.288 -15.288
  164    H    GLU  21           HN       GLU  21  10.001 -11.875 -11.875
  165    HA   GLU  21           HA       GLU  21  10.676 -11.032 -11.032
  166   1HB   GLU  21           HB2      GLU  21   9.440  -8.959  -8.959
  167   2HB   GLU  21           HB3      GLU  21  10.653  -9.399  -9.399
  168   1HG   GLU  21           HG2      GLU  21   9.076  -9.524  -9.524
  169   2HG   GLU  21           HG3      GLU  21   8.203 -10.745 -10.745
  170    HE2  GLU  21           HE2      GLU  21   7.157  -7.718  -7.718
  171    H    GLY  22           HN       GLY  22   9.437 -11.202 -11.202
  172   1HA   GLY  22           HA1      GLY  22   6.904 -10.938 -10.938
  173   2HA   GLY  22           HA2      GLY  22   6.808 -12.474 -12.474
  174    H    HIS  23           HN       HIS  23   9.320 -13.632 -13.632
  175    HA   HIS  23           HA       HIS  23   8.980 -13.738 -13.738
  176   1HB   HIS  23           HB2      HIS  23   9.097 -16.118 -16.118
  177   2HB   HIS  23           HB3      HIS  23   7.824 -15.646 -15.646
  178    HD1  HIS  23           HD1      HIS  23   8.462 -15.775 -15.775
  179    HD2  HIS  23           HD2      HIS  23  11.066 -17.718 -17.718
  180    HE1  HIS  23           HE1      HIS  23   9.857 -17.378 -17.378
  181    H    ILE  24           HN       ILE  24  10.975 -14.964 -14.964
  182    HA   ILE  24           HA       ILE  24  13.322 -13.789 -13.789
  183    HB   ILE  24           HB       ILE  24  14.337 -14.238 -14.238
  184   1HG1  ILE  24           HG1      ILE  24  11.442 -14.523 -14.523
  185   2HG1  ILE  24           HG1      ILE  24  12.540 -15.878 -15.878
  186   1HG2  ILE  24           HG2      ILE  24  13.098 -12.073 -12.073
  187   2HG2  ILE  24           HG2      ILE  24  12.120 -12.324 -12.324
  188   3HG2  ILE  24           HG2      ILE  24  13.881 -12.103 -12.103
  189   1HD1  ILE  24           HD1      ILE  24  13.410 -13.512 -13.512
  190   2HD1  ILE  24           HD1      ILE  24  12.257 -14.684 -14.684
  191   3HD1  ILE  24           HD1      ILE  24  13.867 -15.226 -15.226
  192    H    ALA  25           HN       ALA  25  15.407 -15.095 -15.095
  193    HA   ALA  25           HA       ALA  25  15.080 -17.525 -17.525
  194   1HB   ALA  25           HB3      ALA  25  17.351 -16.117 -16.117
  195   2HB   ALA  25           HB1      ALA  25  17.574 -17.759 -17.759
  196   3HB   ALA  25           HB2      ALA  25  17.124 -16.425 -16.425
  197    H    LYS  26           HN       LYS  26  15.523 -16.694 -16.694
  198    HA   LYS  26           HA       LYS  26  15.841 -19.369 -19.369
  199   1HB   LYS  26           HB2      LYS  26  16.600 -17.357 -17.357
  200   2HB   LYS  26           HB3      LYS  26  14.928 -16.947 -16.947
  201   1HG   LYS  26           HG2      LYS  26  15.772 -19.749 -19.749
  202   2HG   LYS  26           HG3      LYS  26  16.429 -18.473 -18.473
  203   1HD   LYS  26           HD2      LYS  26  14.388 -17.969 -17.969
  204   2HD   LYS  26           HD3      LYS  26  13.510 -18.225 -18.225
  205   1HE   LYS  26           HE2      LYS  26  12.825 -19.979 -19.979
  206   2HE   LYS  26           HE3      LYS  26  13.845 -20.732 -20.732
  207   1HZ   LYS  26           HZ1      LYS  26  15.699 -20.161 -20.161
  208   2HZ   LYS  26           HZ2      LYS  26  14.450 -20.212 -20.212
  209    H    ASN  27           HN       ASN  27  13.132 -17.521 -17.521
  210    HA   ASN  27           HA       ASN  27  11.334 -19.417 -19.417
  211   1HB   ASN  27           HB2      ASN  27  10.951 -16.885 -16.885
  212   2HB   ASN  27           HB3      ASN  27  10.616 -16.817 -16.817
  213   1HD2  ASN  27           HD2      ASN  27   7.949 -18.429 -18.429
  214   2HD2  ASN  27           HD2      ASN  27   9.589 -18.052 -18.052
  215    H    CYS  28           HN       CYS  28  13.151 -19.655 -19.655
  216    HA   CYS  28           HA       CYS  28  11.352 -19.623 -19.623
  217   1HB   CYS  28           HB2      CYS  28  13.784 -19.209 -19.209
  218   2HB   CYS  28           HB3      CYS  28  14.116 -20.860 -20.860
  219    H    ARG  29           HN       ARG  29   9.743 -21.140 -21.140
  220    HA   ARG  29           HA       ARG  29   9.898 -23.541 -23.541
  221   1HB   ARG  29           HB2      ARG  29   7.791 -22.121 -22.121
  222   2HB   ARG  29           HB3      ARG  29   7.887 -22.971 -22.971
  223   1HG   ARG  29           HG2      ARG  29   6.859 -24.772 -24.772
  224   2HG   ARG  29           HG3      ARG  29   8.154 -24.940 -24.940
  225   1HD   ARG  29           HD2      ARG  29   6.037 -22.826 -22.826
  226   2HD   ARG  29           HD3      ARG  29   5.645 -24.500 -24.500
  227    HE   ARG  29           HE       ARG  29   8.017 -24.278 -24.278
  228   1HH1  ARG  29           HH2      ARG  29   5.205 -22.123 -22.123
  229   2HH1  ARG  29           HH2      ARG  29   5.489 -21.530 -21.530
  230    HH2  ARG  29           HH1      ARG  29   7.369 -22.350 -22.350
  231    H    ALA  30           HN       ALA  30  11.468 -22.608 -22.608
  232    HA   ALA  30           HA       ALA  30  11.194 -25.239 -25.239
  233   1HB   ALA  30           HB1      ALA  30  10.819 -22.795 -22.795
  234   2HB   ALA  30           HB2      ALA  30  12.566 -22.997 -22.997
  235   3HB   ALA  30           HB3      ALA  30  11.420 -24.207 -24.207
  236    HA   PRO  31           HA       PRO  31  15.295 -26.054 -26.054
  237   1HB   PRO  31           HB2      PRO  31  16.060 -27.823 -27.823
  238   2HB   PRO  31           HB3      PRO  31  15.086 -28.279 -28.279
  239   1HG   PRO  31           HG2      PRO  31  14.250 -27.893 -27.893
  240   2HG   PRO  31           HG3      PRO  31  13.416 -28.741 -28.741
  241   1HD   PRO  31           HD2      PRO  31  12.797 -26.132 -26.132
  242   2HD   PRO  31           HD3      PRO  31  12.039 -26.932 -26.932
  243    H    ARG  32           HN       ARG  32  15.523 -26.093 -26.093
  244    HA   ARG  32           HA       ARG  32  17.609 -24.093 -24.093
  245   1HB   ARG  32           HB2      ARG  32  18.415 -24.977 -24.977
  246   2HB   ARG  32           HB3      ARG  32  18.625 -26.057 -26.057
  247   1HG   ARG  32           HG2      ARG  32  15.983 -26.358 -26.358
  248   2HG   ARG  32           HG3      ARG  32  17.315 -26.681 -26.681
  249   1HD   ARG  32           HD2      ARG  32  17.288 -27.908 -27.908
  250   2HD   ARG  32           HD3      ARG  32  16.371 -28.646 -28.646
  251    HE   ARG  32           HE       ARG  32  19.315 -28.490 -28.490
  252   1HH1  ARG  32           HH2      ARG  32  16.529 -29.251 -29.251
  253   2HH1  ARG  32           HH2      ARG  32  17.450 -30.212 -30.212
  254    HH2  ARG  32           HH1      ARG  32  19.801 -30.497 -30.497
  255    H    LYS  33           HN       LYS  33  14.630 -25.066 -25.066
  256    HA   LYS  33           HA       LYS  33  13.893 -22.482 -22.482
  257   1HB   LYS  33           HB2      LYS  33  15.833 -23.521 -23.521
  258   2HB   LYS  33           HB3      LYS  33  14.297 -23.357 -23.357
  259   1HG   LYS  33           HG2      LYS  33  14.995 -21.070 -21.070
  260   2HG   LYS  33           HG3      LYS  33  16.075 -21.286 -21.286
  261   1HD   LYS  33           HD2      LYS  33  14.372 -19.861 -19.861
  262   2HD   LYS  33           HD3      LYS  33  13.947 -21.441 -21.441
  263   1HE   LYS  33           HE2      LYS  33  12.468 -21.686 -21.686
  264   2HE   LYS  33           HE3      LYS  33  12.682 -19.958 -19.958
  265   1HZ   LYS  33           HZ1      LYS  33  11.266 -21.386 -21.386
  266   2HZ   LYS  33           HZ2      LYS  33  10.803 -20.056 -20.056
  267    H    LYS  34           HN       LYS  34  13.818 -25.546 -25.546
  268    HA   LYS  34           HA       LYS  34  11.459 -26.520 -26.520
  269   1HB   LYS  34           HB2      LYS  34   9.866 -25.865 -25.865
  270   2HB   LYS  34           HB3      LYS  34  10.236 -24.620 -24.620
  271   1HG   LYS  34           HG2      LYS  34  10.618 -23.354 -23.354
  272   2HG   LYS  34           HG3      LYS  34  12.209 -24.081 -24.081
  273   1HD   LYS  34           HD2      LYS  34  11.339 -25.968 -25.968
  274   2HD   LYS  34           HD3      LYS  34   9.875 -25.031 -25.031
  275   1HE   LYS  34           HE2      LYS  34  12.257 -23.373 -23.373
  276   2HE   LYS  34           HE3      LYS  34  12.277 -24.791 -24.791
  277   1HZ   LYS  34           HZ1      LYS  34  10.850 -22.553 -22.553
  278   2HZ   LYS  34           HZ2      LYS  34  10.528 -24.004 -24.004
  279    H    GLY  35           HN       GLY  35  10.872 -28.491 -28.491
  280   1HA   GLY  35           HA1      GLY  35  11.207 -29.543 -29.543
  281   2HA   GLY  35           HA2      GLY  35  12.900 -29.403 -29.403
  282    H    CYS  36           HN       CYS  36  11.419 -31.887 -31.887
  283    HA   CYS  36           HA       CYS  36  10.631 -33.096 -33.096
  284   1HB   CYS  36           HB2      CYS  36  10.138 -33.897 -33.897
  285   2HB   CYS  36           HB3      CYS  36  11.802 -34.426 -34.426
  286    H    TRP  37           HN       TRP  37  11.911 -33.395 -33.395
  287    HA   TRP  37           HA       TRP  37  14.789 -33.552 -33.552
  288   1HB   TRP  37           HB2      TRP  37  13.663 -32.049 -32.049
  289   2HB   TRP  37           HB3      TRP  37  13.224 -33.494 -33.494
  290    HD1  TRP  37           HD1      TRP  37  16.707 -32.905 -32.905
  291    HE1  TRP  37           HE1      TRP  37  18.615 -32.952 -32.952
  292    HE3  TRP  37           HE3      TRP  37  13.598 -33.296 -33.296
  293    HZ2  TRP  37           HZ2      TRP  37  18.611 -33.143 -33.143
  294    HZ3  TRP  37           HZ3      TRP  37  14.632 -33.407 -33.407
  295    HH2  TRP  37           HH2      TRP  37  17.047 -33.337 -33.337
  296    H    LYS  38           HN       LYS  38  12.529 -35.681 -35.681
  297    HA   LYS  38           HA       LYS  38  13.618 -37.822 -37.822
  298   1HB   LYS  38           HB2      LYS  38  11.094 -37.297 -37.297
  299   2HB   LYS  38           HB3      LYS  38  11.140 -37.997 -37.997
  300   1HG   LYS  38           HG2      LYS  38  12.377 -39.521 -39.521
  301   2HG   LYS  38           HG3      LYS  38  10.635 -39.524 -39.524
  302   1HD   LYS  38           HD2      LYS  38  10.730 -40.600 -40.600
  303   2HD   LYS  38           HD3      LYS  38  12.405 -40.154 -40.154
  304   1HE   LYS  38           HE2      LYS  38  12.968 -42.215 -42.215
  305   2HE   LYS  38           HE3      LYS  38  12.508 -41.654 -41.654
  306   1HZ   LYS  38           HZ1      LYS  38  10.186 -42.396 -42.396
  307   2HZ   LYS  38           HZ2      LYS  38  11.246 -43.631 -43.631
  308    H    CYS  39           HN       CYS  39  12.901 -36.819 -36.819
  309    HA   CYS  39           HA       CYS  39  14.613 -39.026 -39.026
  310   1HB   CYS  39           HB2      CYS  39  13.590 -38.719 -38.719
  311   2HB   CYS  39           HB3      CYS  39  12.438 -39.171 -39.171
  312    H    GLY  40           HN       GLY  40  14.187 -35.545 -35.545
  313   1HA   GLY  40           HA1      GLY  40  16.003 -34.074 -34.074
  314   2HA   GLY  40           HA2      GLY  40  16.831 -35.140 -35.140
  315    H    LYS  41           HN       LYS  41  13.779 -35.291 -35.291
  316    HA   LYS  41           HA       LYS  41  14.373 -33.462 -33.462
  317   1HB   LYS  41           HB2      LYS  41  13.151 -35.772 -35.772
  318   2HB   LYS  41           HB3      LYS  41  11.727 -34.847 -34.847
  319   1HG   LYS  41           HG2      LYS  41  11.628 -33.769 -33.769
  320   2HG   LYS  41           HG3      LYS  41  13.370 -33.692 -33.692
  321   1HD   LYS  41           HD2      LYS  41  12.259 -36.454 -36.454
  322   2HD   LYS  41           HD3      LYS  41  11.725 -35.429 -35.429
  323   1HE   LYS  41           HE2      LYS  41  14.068 -34.901 -34.901
  324   2HE   LYS  41           HE3      LYS  41  14.654 -35.804 -35.804
  325   1HZ   LYS  41           HZ1      LYS  41  14.766 -37.420 -37.420
  326   2HZ   LYS  41           HZ2      LYS  41  13.225 -37.698 -37.698
  327    H    GLU  42           HN       GLU  42  14.224 -31.302 -31.302
  328    HA   GLU  42           HA       GLU  42  12.429 -30.292 -30.292
  329   1HB   GLU  42           HB2      GLU  42  13.310 -28.065 -28.065
  330   2HB   GLU  42           HB3      GLU  42  14.573 -29.194 -29.194
  331   1HG   GLU  42           HG2      GLU  42  15.474 -29.121 -29.121
  332   2HG   GLU  42           HG3      GLU  42  13.941 -29.539 -29.539
  333    HE2  GLU  42           HE2      GLU  42  15.115 -25.988 -25.988
  334    H    GLY  43           HN       GLY  43  10.269 -30.031 -30.031
  335   1HA   GLY  43           HA1      GLY  43   8.987 -28.467 -28.467
  336   2HA   GLY  43           HA2      GLY  43   9.292 -29.837 -29.837
  337    H    HIS  44           HN       HIS  44   9.210 -31.764 -31.764
  338    HA   HIS  44           HA       HIS  44   6.368 -31.568 -31.568
  339   1HB   HIS  44           HB2      HIS  44   5.873 -33.733 -33.733
  340   2HB   HIS  44           HB3      HIS  44   6.839 -33.074 -33.074
  341    HD1  HIS  44           HD1      HIS  44   8.875 -34.389 -34.389
  342    HD2  HIS  44           HD2      HIS  44   7.424 -35.532 -35.532
  343    HE1  HIS  44           HE1      HIS  44  10.225 -36.441 -36.441
  344    H    GLN  45           HN       GLN  45   6.053 -33.825 -33.825
  345    HA   GLN  45           HA       GLN  45   8.288 -34.095 -34.095
  346   1HB   GLN  45           HB2      GLN  45   6.019 -32.282 -32.282
  347   2HB   GLN  45           HB3      GLN  45   6.463 -33.408 -33.408
  348   1HG   GLN  45           HG2      GLN  45   8.399 -32.297 -32.297
  349   2HG   GLN  45           HG3      GLN  45   8.845 -32.215 -32.215
  350   1HE2  GLN  45           HE2      GLN  45   6.518 -30.854 -30.854
  351   2HE2  GLN  45           HE2      GLN  45   6.529 -29.229 -29.229
  352    H    MET  46           HN       MET  46   7.071 -35.243 -35.243
  353    HA   MET  46           HA       MET  46   6.604 -37.758 -37.758
  354   1HB   MET  46           HB2      MET  46   5.065 -37.720 -37.720
  355   2HB   MET  46           HB3      MET  46   6.791 -37.440 -37.440
  356   1HG   MET  46           HG2      MET  46   6.517 -35.243 -35.243
  357   2HG   MET  46           HG3      MET  46   5.272 -34.969 -34.969
  358   1HE   MET  46           HE3      MET  46   6.293 -35.402 -35.402
  359   2HE   MET  46           HE1      MET  46   4.847 -35.673 -35.673
  360   3HE   MET  46           HE2      MET  46   5.647 -37.048 -37.048
  361    H    LYS  47           HN       LYS  47   4.188 -35.101 -35.101
  362    HA   LYS  47           HA       LYS  47   1.842 -36.378 -36.378
  363   1HB   LYS  47           HB2      LYS  47   2.562 -33.843 -33.843
  364   2HB   LYS  47           HB3      LYS  47   2.341 -34.190 -34.190
  365   1HG   LYS  47           HG2      LYS  47   0.172 -35.166 -35.166
  366   2HG   LYS  47           HG3      LYS  47   0.307 -33.426 -33.426
  367   1HD   LYS  47           HD2      LYS  47   0.479 -34.924 -34.924
  368   2HD   LYS  47           HD3      LYS  47  -1.064 -35.066 -35.066
  369   1HE   LYS  47           HE2      LYS  47  -1.631 -32.895 -32.895
  370   2HE   LYS  47           HE3      LYS  47  -0.052 -32.293 -32.293
  371   1HZ   LYS  47           HZ1      LYS  47   0.511 -33.540 -33.540
  372   2HZ   LYS  47           HZ2      LYS  47  -1.003 -33.030 -33.030
  373    H    ASP  48           HN       ASP  48   4.150 -35.932 -35.932
  374    HA   ASP  48           HA       ASP  48   2.801 -38.194 -38.194
  375   1HB   ASP  48           HB2      ASP  48   3.486 -35.497 -35.497
  376   2HB   ASP  48           HB3      ASP  48   3.572 -36.904 -36.904
  377    HD2  ASP  48           HD2      ASP  48   0.925 -34.802 -34.802
  378    H    CYS  49           HN       CYS  49   5.087 -38.436 -38.436
  379    HA   CYS  49           HA       CYS  49   7.403 -38.248 -38.248
  380   1HB   CYS  49           HB2      CYS  49   7.561 -37.575 -37.575
  381   2HB   CYS  49           HB3      CYS  49   7.165 -39.210 -39.210
  382    H    THR  50           HN       THR  50   7.623 -39.884 -39.884
  383    HA   THR  50           HA       THR  50   6.418 -42.453 -42.453
  384    HB   THR  50           HB       THR  50   6.468 -41.267 -41.267
  385    HG1  THR  50           HG1      THR  50   6.472 -43.693 -43.693
  386   1HG2  THR  50           HG2      THR  50   9.454 -41.770 -41.770
  387   2HG2  THR  50           HG2      THR  50   8.722 -41.692 -41.692
  388   3HG2  THR  50           HG2      THR  50   8.650 -40.278 -40.278
  389    H    GLU  51           HN       GLU  51   9.088 -41.065 -41.065
  390    HA   GLU  51           HA       GLU  51  10.613 -42.039 -42.039
  391   1HB   GLU  51           HB2      GLU  51   9.155 -44.196 -44.196
  392   2HB   GLU  51           HB3      GLU  51  10.320 -44.699 -44.699
  393   1HG   GLU  51           HG2      GLU  51  11.941 -45.131 -45.131
  394   2HG   GLU  51           HG3      GLU  51  11.597 -43.671 -43.671
  395    HE1  GLU  51           HE2      GLU  51   8.694 -45.541 -45.541
  396    H    ARG  52           HN       ARG  52  10.796 -43.751 -43.751
  397    HA   ARG  52           HA       ARG  52  12.318 -43.802 -43.802
  398   1HB   ARG  52           HB2      ARG  52  11.961 -41.140 -41.140
  399   2HB   ARG  52           HB3      ARG  52  13.653 -41.234 -41.234
  400   1HG   ARG  52           HG2      ARG  52  14.075 -41.049 -41.049
  401   2HG   ARG  52           HG3      ARG  52  13.631 -42.742 -42.742
  402   1HD   ARG  52           HD2      ARG  52  12.283 -41.654 -41.654
  403   2HD   ARG  52           HD3      ARG  52  11.194 -41.970 -41.970
  404    HE   ARG  52           HE       ARG  52  12.062 -39.468 -39.468
  405   1HH1  ARG  52           HH2      ARG  52  10.906 -40.795 -40.795
  406   2HH1  ARG  52           HH2      ARG  52  10.281 -39.280 -39.280
  407    HH2  ARG  52           HH1      ARG  52  10.487 -37.338 -37.338
  408    H    GLN  53           HN       GLN  53  13.545 -45.576 -45.576
  409    HA   GLN  53           HA       GLN  53  16.178 -44.892 -44.892
  410   1HB   GLN  53           HB2      GLN  53  14.794 -44.832 -44.832
  411   2HB   GLN  53           HB3      GLN  53  14.611 -46.565 -46.565
  412   1HG   GLN  53           HG2      GLN  53  16.526 -46.329 -46.329
  413   2HG   GLN  53           HG3      GLN  53  17.191 -46.678 -46.678
  414   1HE2  GLN  53           HE2      GLN  53  19.281 -43.964 -43.964
  415   2HE2  GLN  53           HE2      GLN  53  19.032 -45.668 -45.668
  416    H    ALA  54           HN       ALA  54  16.116 -46.015 -46.015
  417    HA   ALA  54           HA       ALA  54  15.347 -48.676 -48.676
  418   1HB   ALA  54           HB1      ALA  54  17.291 -46.857 -46.857
  419   2HB   ALA  54           HB2      ALA  54  17.087 -48.557 -48.557
  420   3HB   ALA  54           HB3      ALA  54  15.699 -47.443 -47.443
  421    H    ASN  55           HN       ASN  55  18.694 -47.310 -47.310
  422    HA   ASN  55           HA       ASN  55  19.408 -49.917 -49.917
  423   1HB   ASN  55           HB2      ASN  55  20.711 -48.091 -48.091
  424   2HB   ASN  55           HB3      ASN  55  21.713 -48.209 -48.209
  425   1HD2  ASN  55           HD2      ASN  55  23.100 -50.902 -50.902
  426   2HD2  ASN  55           HD2      ASN  55  23.186 -49.198 -49.198

  Start of MODEL   23
    1    H    MET   1           HN       MET   1   1.884   0.000   0.000
    2    HA   MET   1           HA       MET   1   1.490   0.608   0.608
    3   1HB   MET   1           HB2      MET   1   3.364   1.545   1.545
    4   2HB   MET   1           HB3      MET   1   4.047  -0.067  -0.067
    5   1HG   MET   1           HG2      MET   1   3.468   0.984   0.984
    6   2HG   MET   1           HG3      MET   1   4.790   1.743   1.743
    7   1HE   MET   1           HE1      MET   1   6.470   0.987   0.987
    8   2HE   MET   1           HE2      MET   1   6.759  -0.696  -0.696
    9   3HE   MET   1           HE3      MET   1   5.245   0.121   0.121
   10    H    GLN   2           HN       GLN   2   2.163  -0.722  -0.722
   11    HA   GLN   2           HA       GLN   2   3.303  -3.218  -3.218
   12   1HB   GLN   2           HB2      GLN   2   1.399  -4.719  -4.719
   13   2HB   GLN   2           HB3      GLN   2   1.154  -3.825  -3.825
   14   1HG   GLN   2           HG2      GLN   2  -0.859  -3.182  -3.182
   15   2HG   GLN   2           HG3      GLN   2   0.013  -2.154  -2.154
   16   1HE2  GLN   2           HE2      GLN   2  -1.419  -5.862  -5.862
   17   2HE2  GLN   2           HE2      GLN   2  -1.067  -5.503  -5.503
   18    H    LYS   3           HN       LYS   3   3.165  -4.522  -4.522
   19    HA   LYS   3           HA       LYS   3   2.066  -3.360  -3.360
   20   1HB   LYS   3           HB2      LYS   3   3.706  -1.566  -1.566
   21   2HB   LYS   3           HB3      LYS   3   5.009  -2.737  -2.737
   22   1HG   LYS   3           HG2      LYS   3   4.970  -1.827  -1.827
   23   2HG   LYS   3           HG3      LYS   3   4.168  -3.376  -3.376
   24   1HD   LYS   3           HD2      LYS   3   2.435  -1.007  -1.007
   25   2HD   LYS   3           HD3      LYS   3   3.101  -1.077  -1.077
   26   1HE   LYS   3           HE2      LYS   3   2.108  -3.710  -3.710
   27   2HE   LYS   3           HE3      LYS   3   0.860  -2.538  -2.538
   28   1HZ   LYS   3           HZ1      LYS   3   2.086  -3.109  -3.109
   29   2HZ   LYS   3           HZ2      LYS   3   0.510  -2.921  -2.921
   30    H    GLY   4           HN       GLY   4   1.647  -5.798  -5.798
   31   1HA   GLY   4           HA1      GLY   4   2.660  -7.389  -7.389
   32   2HA   GLY   4           HA2      GLY   4   3.783  -7.613  -7.613
   33    H    ASN   5           HN       ASN   5   0.174  -7.295  -7.295
   34    HA   ASN   5           HA       ASN   5  -0.515  -8.681  -8.681
   35   1HB   ASN   5           HB2      ASN   5  -1.859  -8.481  -8.481
   36   2HB   ASN   5           HB3      ASN   5  -2.639  -9.287  -9.287
   37   1HD2  ASN   5           HD2      ASN   5  -3.490  -6.413  -6.413
   38   2HD2  ASN   5           HD2      ASN   5  -3.324  -8.137  -8.137
   39    H    PHE   6           HN       PHE   6   0.281 -10.731 -10.731
   40    HA   PHE   6           HA       PHE   6  -0.383 -12.941 -12.941
   41   1HB   PHE   6           HB2      PHE   6   2.461 -11.821 -11.821
   42   2HB   PHE   6           HB3      PHE   6   2.227 -13.544 -13.544
   43    HD1  PHE   6           HD2      PHE   6   0.304 -14.021 -14.021
   44    HD2  PHE   6           HD1      PHE   6   2.886 -10.659 -10.659
   45    HE1  PHE   6           HE2      PHE   6   0.039 -13.676 -13.676
   46    HE2  PHE   6           HE1      PHE   6   2.622 -10.314 -10.314
   47   1HZ   PHE   6           HZ       PHE   6   1.201 -11.826 -11.826
   48    H    ARG   7           HN       ARG   7   1.924 -11.700 -11.700
   49    HA   ARG   7           HA       ARG   7   2.129 -14.095 -14.095
   50   1HB   ARG   7           HB2      ARG   7   3.468 -11.834 -11.834
   51   2HB   ARG   7           HB3      ARG   7   2.238 -11.395 -11.395
   52   1HG   ARG   7           HG2      ARG   7   3.067 -12.816 -12.816
   53   2HG   ARG   7           HG3      ARG   7   3.282 -14.123 -14.123
   54   1HD   ARG   7           HD2      ARG   7   5.174 -11.862 -11.862
   55   2HD   ARG   7           HD3      ARG   7   5.345 -12.660 -12.660
   56    HE   ARG   7           HE       ARG   7   5.990 -13.786 -13.786
   57   1HH1  ARG   7           HH2      ARG   7   5.042 -14.618 -14.618
   58   2HH1  ARG   7           HH2      ARG   7   5.711 -16.213 -16.213
   59    HH2  ARG   7           HH1      ARG   7   6.784 -16.940 -16.940
   60    H    ASN   8           HN       ASN   8   0.172 -15.154 -15.154
   61    HA   ASN   8           HA       ASN   8  -1.844 -15.472 -15.472
   62   1HB   ASN   8           HB2      ASN   8  -2.078 -14.732 -14.732
   63   2HB   ASN   8           HB3      ASN   8  -0.711 -15.760 -15.760
   64   1HD2  ASN   8           HD2      ASN   8  -0.238 -12.010 -12.010
   65   2HD2  ASN   8           HD2      ASN   8  -1.767 -12.788 -12.788
   66    H    GLN   9           HN       GLN   9  -3.162 -14.139 -14.139
   67    HA   GLN   9           HA       GLN   9  -3.485 -11.380 -11.380
   68   1HB   GLN   9           HB2      GLN   9  -4.651 -13.254 -13.254
   69   2HB   GLN   9           HB3      GLN   9  -5.315 -11.646 -11.646
   70   1HG   GLN   9           HG2      GLN   9  -3.221 -10.588 -10.588
   71   2HG   GLN   9           HG3      GLN   9  -2.327 -12.086 -12.086
   72   1HE2  GLN   9           HE2      GLN   9  -2.763 -13.824 -13.824
   73   2HE2  GLN   9           HE2      GLN   9  -3.232 -13.479 -13.479
   74    H    ARG  10           HN       ARG  10  -5.654 -14.302 -14.302
   75    HA   ARG  10           HA       ARG  10  -7.900 -13.175 -13.175
   76   1HB   ARG  10           HB2      ARG  10  -6.804 -15.827 -15.827
   77   2HB   ARG  10           HB3      ARG  10  -7.527 -15.693 -15.693
   78   1HG   ARG  10           HG2      ARG  10  -9.138 -14.591 -14.591
   79   2HG   ARG  10           HG3      ARG  10  -8.948 -16.333 -16.333
   80   1HD   ARG  10           HD2      ARG  10  -9.608 -16.062 -16.062
   81   2HD   ARG  10           HD3      ARG  10 -10.275 -14.530 -14.530
   82    HE   ARG  10           HE       ARG  10 -12.037 -15.705 -15.705
   83   1HH1  ARG  10           HH2      ARG  10  -9.253 -17.885 -17.885
   84   2HH1  ARG  10           HH2      ARG  10 -10.120 -19.254 -19.254
   85    HH2  ARG  10           HH1      ARG  10 -12.428 -19.011 -19.011
   86    H    LYS  11           HN       LYS  11  -5.423 -14.800 -14.800
   87    HA   LYS  11           HA       LYS  11  -6.474 -13.229 -13.229
   88   1HB   LYS  11           HB2      LYS  11  -5.486 -14.878 -14.878
   89   2HB   LYS  11           HB3      LYS  11  -6.443 -15.696 -15.696
   90   1HG   LYS  11           HG2      LYS  11  -4.264 -15.958 -15.958
   91   2HG   LYS  11           HG3      LYS  11  -3.408 -15.400 -15.400
   92   1HD   LYS  11           HD2      LYS  11  -5.393 -17.616 -17.616
   93   2HD   LYS  11           HD3      LYS  11  -3.941 -18.027 -18.027
   94   1HE   LYS  11           HE2      LYS  11  -3.792 -16.524 -16.524
   95   2HE   LYS  11           HE3      LYS  11  -3.897 -18.273 -18.273
   96   1HZ   LYS  11           HZ1      LYS  11  -1.608 -16.746 -16.746
   97   2HZ   LYS  11           HZ2      LYS  11  -1.728 -18.362 -18.362
   98    H    THR  12           HN       THR  12  -5.464 -11.325 -11.325
   99    HA   THR  12           HA       THR  12  -2.546 -11.288 -11.288
  100    HB   THR  12           HB       THR  12  -4.675  -9.153  -9.153
  101    HG1  THR  12           HG1      THR  12  -3.616  -9.531  -9.531
  102   1HG2  THR  12           HG2      THR  12  -1.622  -9.078  -9.078
  103   2HG2  THR  12           HG2      THR  12  -2.617  -7.983  -7.983
  104   3HG2  THR  12           HG2      THR  12  -2.721  -7.921  -7.921
  105    H    VAL  13           HN       VAL  13  -5.073  -9.250  -9.250
  106    HA   VAL  13           HA       VAL  13  -3.655  -9.684  -9.684
  107    HB   VAL  13           HB       VAL  13  -3.757  -7.200  -7.200
  108   1HG1  VAL  13           HG1      VAL  13  -1.900  -8.446  -8.446
  109   2HG1  VAL  13           HG1      VAL  13  -1.694  -6.761  -6.761
  110   3HG1  VAL  13           HG1      VAL  13  -1.609  -8.088  -8.088
  111   1HG2  VAL  13           HG2      VAL  13  -5.330  -6.804  -6.804
  112   2HG2  VAL  13           HG2      VAL  13  -3.980  -5.660  -5.660
  113   3HG2  VAL  13           HG2      VAL  13  -3.888  -6.943  -6.943
  114    H    LYS  14           HN       LYS  14  -4.981  -9.104  -9.104
  115    HA   LYS  14           HA       LYS  14  -7.831  -9.047  -9.047
  116   1HB   LYS  14           HB2      LYS  14  -8.305 -10.608 -10.608
  117   2HB   LYS  14           HB3      LYS  14  -6.725 -11.161 -11.161
  118   1HG   LYS  14           HG2      LYS  14  -5.650  -9.976  -9.976
  119   2HG   LYS  14           HG3      LYS  14  -7.193  -9.304  -9.304
  120   1HD   LYS  14           HD2      LYS  14  -7.172 -11.135 -11.135
  121   2HD   LYS  14           HD3      LYS  14  -7.912 -11.904 -11.904
  122   1HE   LYS  14           HE2      LYS  14  -4.917 -11.871 -11.871
  123   2HE   LYS  14           HE3      LYS  14  -5.668 -12.861 -12.861
  124   1HZ   LYS  14           HZ1      LYS  14  -5.748 -13.203 -13.203
  125   2HZ   LYS  14           HZ2      LYS  14  -5.676 -14.339 -14.339
  126    H    CYS  15           HN       CYS  15  -9.069  -7.415  -7.415
  127    HA   CYS  15           HA       CYS  15  -7.654  -5.370  -5.370
  128   1HB   CYS  15           HB2      CYS  15  -9.113  -4.748  -4.748
  129   2HB   CYS  15           HB3      CYS  15 -10.484  -5.513  -5.513
  130    H    PHE  16           HN       PHE  16  -7.491  -5.491  -5.491
  131    HA   PHE  16           HA       PHE  16  -9.360  -7.151  -7.151
  132   1HB   PHE  16           HB2      PHE  16  -6.638  -6.224  -6.224
  133   2HB   PHE  16           HB3      PHE  16  -7.463  -5.522  -5.522
  134    HD1  PHE  16           HD1      PHE  16  -7.310  -8.833  -8.833
  135    HD2  PHE  16           HD2      PHE  16  -7.385  -6.733  -6.733
  136    HE1  PHE  16           HE1      PHE  16  -7.085 -11.003 -11.003
  137    HE2  PHE  16           HE2      PHE  16  -7.160  -8.904  -8.904
  138   1HZ   PHE  16           HZ       PHE  16  -7.013 -11.013 -11.013
  139    H    ASN  17           HN       ASN  17  -9.704  -4.163  -4.163
  140    HA   ASN  17           HA       ASN  17 -10.605  -2.901  -2.901
  141   1HB   ASN  17           HB2      ASN  17  -9.316  -1.696  -1.696
  142   2HB   ASN  17           HB3      ASN  17 -10.780  -1.824  -1.824
  143   1HD2  ASN  17           HD2      ASN  17 -12.709   0.482   0.482
  144   2HD2  ASN  17           HD2      ASN  17 -12.776  -0.955  -0.955
  145    H    CYS  18           HN       CYS  18 -11.767  -4.131  -4.131
  146    HA   CYS  18           HA       CYS  18 -14.514  -3.761  -3.761
  147   1HB   CYS  18           HB2      CYS  18 -15.135  -4.053  -4.053
  148   2HB   CYS  18           HB3      CYS  18 -14.205  -2.611  -2.611
  149    H    GLY  19           HN       GLY  19 -12.085  -6.030  -6.030
  150   1HA   GLY  19           HA1      GLY  19 -11.985  -8.271  -8.271
  151   2HA   GLY  19           HA2      GLY  19 -13.720  -8.269  -8.269
  152    H    LYS  20           HN       LYS  20 -12.370  -6.734  -6.734
  153    HA   LYS  20           HA       LYS  20 -13.349  -9.028  -9.028
  154   1HB   LYS  20           HB2      LYS  20 -14.315  -6.412  -6.412
  155   2HB   LYS  20           HB3      LYS  20 -13.285  -6.474  -6.474
  156   1HG   LYS  20           HG2      LYS  20 -15.374  -8.611  -8.611
  157   2HG   LYS  20           HG3      LYS  20 -15.725  -7.195  -7.195
  158   1HD   LYS  20           HD2      LYS  20 -13.353  -8.168  -8.168
  159   2HD   LYS  20           HD3      LYS  20 -14.218  -9.633  -9.633
  160   1HE   LYS  20           HE2      LYS  20 -15.163  -9.247  -9.247
  161   2HE   LYS  20           HE3      LYS  20 -16.291  -8.330  -8.330
  162   1HZ   LYS  20           HZ1      LYS  20 -14.500  -6.443  -6.443
  163   2HZ   LYS  20           HZ2      LYS  20 -14.191  -7.328  -7.328
  164    H    GLU  21           HN       GLU  21 -12.076  -9.767  -9.767
  165    HA   GLU  21           HA       GLU  21  -9.324  -8.991  -8.991
  166   1HB   GLU  21           HB2      GLU  21  -8.865 -10.954 -10.954
  167   2HB   GLU  21           HB3      GLU  21  -9.947 -11.390 -11.390
  168   1HG   GLU  21           HG2      GLU  21 -11.205 -10.486 -10.486
  169   2HG   GLU  21           HG3      GLU  21 -10.445 -12.065 -12.065
  170    HE2  GLU  21           HE2      GLU  21 -13.099 -12.047 -12.047
  171    H    GLY  22           HN       GLY  22  -7.998  -8.220  -8.220
  172   1HA   GLY  22           HA1      GLY  22  -8.009  -7.765  -7.765
  173   2HA   GLY  22           HA2      GLY  22  -9.574  -7.015  -7.015
  174    H    HIS  23           HN       HIS  23  -7.872  -6.412  -6.412
  175    HA   HIS  23           HA       HIS  23  -6.126  -4.378  -4.378
  176   1HB   HIS  23           HB2      HIS  23  -7.325  -2.410  -2.410
  177   2HB   HIS  23           HB3      HIS  23  -8.300  -3.301  -3.301
  178    HD1  HIS  23           HD1      HIS  23 -10.253  -4.889  -4.889
  179    HD2  HIS  23           HD2      HIS  23  -8.694  -1.662  -1.662
  180    HE1  HIS  23           HE1      HIS  23 -11.934  -4.402  -4.402
  181    H    ILE  24           HN       ILE  24  -5.915  -2.784  -2.784
  182    HA   ILE  24           HA       ILE  24  -5.765  -4.715  -4.715
  183    HB   ILE  24           HB       ILE  24  -3.751  -3.247  -3.247
  184   1HG1  ILE  24           HG1      ILE  24  -3.976  -2.585  -2.585
  185   2HG1  ILE  24           HG1      ILE  24  -3.990  -1.464  -1.464
  186   1HG2  ILE  24           HG2      ILE  24  -3.897  -5.687  -5.687
  187   2HG2  ILE  24           HG2      ILE  24  -3.190  -4.964  -4.964
  188   3HG2  ILE  24           HG2      ILE  24  -2.328  -4.851  -4.851
  189   1HD1  ILE  24           HD1      ILE  24  -1.644  -2.443  -2.443
  190   2HD1  ILE  24           HD1      ILE  24  -1.668  -3.111  -3.111
  191   3HD1  ILE  24           HD1      ILE  24  -1.761  -1.351  -1.351
  192    H    ALA  25           HN       ALA  25  -5.689  -3.588  -3.588
  193    HA   ALA  25           HA       ALA  25  -7.966  -2.042  -2.042
  194   1HB   ALA  25           HB2      ALA  25  -6.030  -3.315  -3.315
  195   2HB   ALA  25           HB3      ALA  25  -6.049  -1.611  -1.611
  196   3HB   ALA  25           HB1      ALA  25  -7.554  -2.560  -2.560
  197    H    LYS  26           HN       LYS  26  -4.517  -1.143  -1.143
  198    HA   LYS  26           HA       LYS  26  -4.891   1.589   1.589
  199   1HB   LYS  26           HB2      LYS  26  -2.719   0.401   0.401
  200   2HB   LYS  26           HB3      LYS  26  -2.739   0.223   0.223
  201   1HG   LYS  26           HG2      LYS  26  -1.892   2.309   2.309
  202   2HG   LYS  26           HG3      LYS  26  -3.262   2.996   2.996
  203   1HD   LYS  26           HD2      LYS  26  -1.184   1.669   1.669
  204   2HD   LYS  26           HD3      LYS  26  -0.698   3.157   3.157
  205   1HE   LYS  26           HE2      LYS  26  -3.391   3.364   3.364
  206   2HE   LYS  26           HE3      LYS  26  -2.174   2.950   2.950
  207   1HZ   LYS  26           HZ1      LYS  26  -0.843   4.866   4.866
  208   2HZ   LYS  26           HZ2      LYS  26  -2.171   5.314   5.314
  209    H    ASN  27           HN       ASN  27  -5.494  -0.451  -0.451
  210    HA   ASN  27           HA       ASN  27  -5.789   1.894   1.894
  211   1HB   ASN  27           HB2      ASN  27  -4.780  -0.505  -0.505
  212   2HB   ASN  27           HB3      ASN  27  -6.463  -0.925  -0.925
  213   1HD2  ASN  27           HD2      ASN  27  -5.345   0.137   0.137
  214   2HD2  ASN  27           HD2      ASN  27  -5.191  -1.178  -1.178
  215    H    CYS  28           HN       CYS  28  -7.582   0.860   0.860
  216    HA   CYS  28           HA       CYS  28 -10.047   0.257   0.257
  217   1HB   CYS  28           HB2      CYS  28  -9.330  -0.833  -0.833
  218   2HB   CYS  28           HB3      CYS  28  -9.623   0.702   0.702
  219    H    ARG  29           HN       ARG  29 -11.411   1.861   1.861
  220    HA   ARG  29           HA       ARG  29 -10.841   4.534   4.534
  221   1HB   ARG  29           HB2      ARG  29 -11.212   3.904   3.904
  222   2HB   ARG  29           HB3      ARG  29 -12.891   3.588   3.588
  223   1HG   ARG  29           HG2      ARG  29 -13.318   5.788   5.788
  224   2HG   ARG  29           HG3      ARG  29 -12.395   6.142   6.142
  225   1HD   ARG  29           HD2      ARG  29 -11.034   5.756   5.756
  226   2HD   ARG  29           HD3      ARG  29 -11.662   7.316   7.316
  227    HE   ARG  29           HE       ARG  29 -10.018   6.203   6.203
  228   1HH1  ARG  29           HH2      ARG  29  -9.783   7.767   7.767
  229   2HH1  ARG  29           HH2      ARG  29  -8.204   8.413   8.413
  230    HH2  ARG  29           HH1      ARG  29  -7.136   7.981   7.981
  231    H    ALA  30           HN       ALA  30 -12.575   2.052   2.052
  232    HA   ALA  30           HA       ALA  30 -15.138   3.206   3.206
  233   1HB   ALA  30           HB1      ALA  30 -14.292   0.726   0.726
  234   2HB   ALA  30           HB2      ALA  30 -13.899   1.159   1.159
  235   3HB   ALA  30           HB3      ALA  30 -15.577   1.284   1.284
  236    HA   PRO  31           HA       PRO  31 -14.313   5.831   5.831
  237   1HB   PRO  31           HB2      PRO  31 -16.734   5.911   5.911
  238   2HB   PRO  31           HB3      PRO  31 -16.376   6.837   6.837
  239   1HG   PRO  31           HG2      PRO  31 -18.014   4.391   4.391
  240   2HG   PRO  31           HG3      PRO  31 -17.988   5.553   5.553
  241   1HD   PRO  31           HD2      PRO  31 -16.779   2.952   2.952
  242   2HD   PRO  31           HD3      PRO  31 -16.656   4.159   4.159
  243    H    ARG  32           HN       ARG  32 -12.974   3.647   3.647
  244    HA   ARG  32           HA       ARG  32 -12.090   2.549   2.549
  245   1HB   ARG  32           HB2      ARG  32 -13.509   4.704   4.704
  246   2HB   ARG  32           HB3      ARG  32 -13.381   3.261   3.261
  247   1HG   ARG  32           HG2      ARG  32 -10.944   3.200   3.200
  248   2HG   ARG  32           HG3      ARG  32 -11.005   4.508   4.508
  249   1HD   ARG  32           HD2      ARG  32 -10.933   6.057   6.057
  250   2HD   ARG  32           HD3      ARG  32 -12.354   5.369   5.369
  251    HE   ARG  32           HE       ARG  32  -9.569   4.889   4.889
  252   1HH1  ARG  32           HH2      ARG  32 -12.853   3.567   3.567
  253   2HH1  ARG  32           HH2      ARG  32 -12.534   2.584   2.584
  254    HH2  ARG  32           HH1      ARG  32 -10.348   2.614   2.614
  255    H    LYS  33           HN       LYS  33 -15.474   3.048   3.048
  256    HA   LYS  33           HA       LYS  33 -17.112   1.634   1.634
  257   1HB   LYS  33           HB2      LYS  33 -16.974   0.932   0.932
  258   2HB   LYS  33           HB3      LYS  33 -15.653  -0.163  -0.163
  259   1HG   LYS  33           HG2      LYS  33 -17.624  -1.531  -1.531
  260   2HG   LYS  33           HG3      LYS  33 -17.217  -1.380  -1.380
  261   1HD   LYS  33           HD2      LYS  33 -18.845   0.708   0.708
  262   2HD   LYS  33           HD3      LYS  33 -19.451  -0.015  -0.015
  263   1HE   LYS  33           HE2      LYS  33 -19.541  -2.233  -2.233
  264   2HE   LYS  33           HE3      LYS  33 -19.578  -1.079  -1.079
  265   1HZ   LYS  33           HZ1      LYS  33 -21.482   0.011   0.011
  266   2HZ   LYS  33           HZ2      LYS  33 -21.517  -1.265  -1.265
  267    H    LYS  34           HN       LYS  34 -17.664  -0.142  -0.142
  268    HA   LYS  34           HA       LYS  34 -17.317  -1.497  -1.497
  269   1HB   LYS  34           HB2      LYS  34 -14.960  -2.041  -2.041
  270   2HB   LYS  34           HB3      LYS  34 -14.761  -2.475  -2.475
  271   1HG   LYS  34           HG2      LYS  34 -17.344  -3.248  -3.248
  272   2HG   LYS  34           HG3      LYS  34 -15.903  -4.152  -4.152
  273   1HD   LYS  34           HD2      LYS  34 -15.819  -5.205  -5.205
  274   2HD   LYS  34           HD3      LYS  34 -16.176  -3.734  -3.734
  275   1HE   LYS  34           HE2      LYS  34 -18.516  -4.022  -4.022
  276   2HE   LYS  34           HE3      LYS  34 -18.385  -5.038  -5.038
  277   1HZ   LYS  34           HZ1      LYS  34 -18.170  -6.860  -6.860
  278   2HZ   LYS  34           HZ2      LYS  34 -17.071  -6.183  -6.183
  279    H    GLY  35           HN       GLY  35 -16.028  -1.700  -1.700
  280   1HA   GLY  35           HA1      GLY  35 -14.663  -0.774  -0.774
  281   2HA   GLY  35           HA2      GLY  35 -14.344   0.606   0.606
  282    H    CYS  36           HN       CYS  36 -15.924  -0.380  -0.380
  283    HA   CYS  36           HA       CYS  36 -18.297   1.157   1.157
  284   1HB   CYS  36           HB2      CYS  36 -18.027  -0.824  -0.824
  285   2HB   CYS  36           HB3      CYS  36 -16.955   0.121   0.121
  286    H    TRP  37           HN       TRP  37 -18.313   3.378   3.378
  287    HA   TRP  37           HA       TRP  37 -16.009   4.778   4.778
  288   1HB   TRP  37           HB2      TRP  37 -17.937   5.223   5.223
  289   2HB   TRP  37           HB3      TRP  37 -17.879   6.603   6.603
  290    HD1  TRP  37           HD1      TRP  37 -16.424   8.289   8.289
  291    HE1  TRP  37           HE1      TRP  37 -14.006   8.367   8.367
  292    HE3  TRP  37           HE3      TRP  37 -15.324   3.398   3.398
  293    HZ2  TRP  37           HZ2      TRP  37 -11.952   6.418   6.418
  294    HZ3  TRP  37           HZ3      TRP  37 -13.091   2.566   2.566
  295    HH2  TRP  37           HH2      TRP  37 -11.432   3.988   3.988
  296    H    LYS  38           HN       LYS  38 -18.383   3.303   3.303
  297    HA   LYS  38           HA       LYS  38 -19.290   5.618   5.618
  298   1HB   LYS  38           HB2      LYS  38 -20.949   4.009   4.009
  299   2HB   LYS  38           HB3      LYS  38 -20.445   2.825   2.825
  300   1HG   LYS  38           HG2      LYS  38 -21.812   3.767   3.767
  301   2HG   LYS  38           HG3      LYS  38 -20.926   5.274   5.274
  302   1HD   LYS  38           HD2      LYS  38 -22.950   4.605   4.605
  303   2HD   LYS  38           HD3      LYS  38 -23.528   5.168   5.168
  304   1HE   LYS  38           HE2      LYS  38 -22.407   7.272   7.272
  305   2HE   LYS  38           HE3      LYS  38 -21.337   6.684   6.684
  306   1HZ   LYS  38           HZ1      LYS  38 -24.215   7.314   7.314
  307   2HZ   LYS  38           HZ2      LYS  38 -22.979   7.928   7.928
  308    H    CYS  39           HN       CYS  39 -17.801   2.338   2.338
  309    HA   CYS  39           HA       CYS  39 -17.059   3.002   3.002
  310   1HB   CYS  39           HB2      CYS  39 -16.605   0.553   0.553
  311   2HB   CYS  39           HB3      CYS  39 -18.286   0.996   0.996
  312    H    GLY  40           HN       GLY  40 -15.991   2.448   2.448
  313   1HA   GLY  40           HA1      GLY  40 -13.936   3.067   3.067
  314   2HA   GLY  40           HA2      GLY  40 -13.252   3.074   3.074
  315    H    LYS  41           HN       LYS  41 -15.200   0.276   0.276
  316    HA   LYS  41           HA       LYS  41 -12.839  -1.365  -1.365
  317   1HB   LYS  41           HB2      LYS  41 -15.288  -1.611  -1.611
  318   2HB   LYS  41           HB3      LYS  41 -15.518  -2.604  -2.604
  319   1HG   LYS  41           HG2      LYS  41 -14.626  -4.132  -4.132
  320   2HG   LYS  41           HG3      LYS  41 -13.226  -3.695  -3.695
  321   1HD   LYS  41           HD2      LYS  41 -13.641  -1.834  -1.834
  322   2HD   LYS  41           HD3      LYS  41 -13.460  -3.489  -3.489
  323   1HE   LYS  41           HE2      LYS  41 -11.419  -3.498  -3.498
  324   2HE   LYS  41           HE3      LYS  41 -11.490  -1.763  -1.763
  325   1HZ   LYS  41           HZ1      LYS  41 -10.623  -1.989  -1.989
  326   2HZ   LYS  41           HZ2      LYS  41 -11.625  -3.200  -3.200
  327    H    GLU  42           HN       GLU  42 -11.785  -1.943  -1.943
  328    HA   GLU  42           HA       GLU  42 -13.075  -1.523  -1.523
  329   1HB   GLU  42           HB2      GLU  42 -10.870  -2.198  -2.198
  330   2HB   GLU  42           HB3      GLU  42 -10.716  -0.933  -0.933
  331   1HG   GLU  42           HG2      GLU  42 -10.542  -3.277  -3.277
  332   2HG   GLU  42           HG3      GLU  42  -9.698  -3.708  -3.708
  333    HE1  GLU  42           HE2      GLU  42  -9.861  -1.301  -1.301
  334    H    GLY  43           HN       GLY  43 -14.839  -3.097  -3.097
  335   1HA   GLY  43           HA1      GLY  43 -14.228  -5.583  -5.583
  336   2HA   GLY  43           HA2      GLY  43 -14.509  -5.811  -5.811
  337    H    HIS  44           HN       HIS  44 -16.554  -4.548  -4.548
  338    HA   HIS  44           HA       HIS  44 -18.719  -5.357  -5.357
  339   1HB   HIS  44           HB2      HIS  44 -20.106  -5.156  -5.156
  340   2HB   HIS  44           HB3      HIS  44 -18.627  -5.955  -5.955
  341    HD1  HIS  44           HD1      HIS  44 -17.077  -4.718  -4.718
  342    HD2  HIS  44           HD2      HIS  44 -20.476  -2.529  -2.529
  343    HE1  HIS  44           HE1      HIS  44 -17.221  -2.747  -2.747
  344    H    GLN  45           HN       GLN  45 -20.646  -3.875  -3.875
  345    HA   GLN  45           HA       GLN  45 -19.647  -1.162  -1.162
  346   1HB   GLN  45           HB2      GLN  45 -21.386  -2.953  -2.953
  347   2HB   GLN  45           HB3      GLN  45 -21.791  -1.248  -1.248
  348   1HG   GLN  45           HG2      GLN  45 -19.524  -0.646  -0.646
  349   2HG   GLN  45           HG3      GLN  45 -18.977  -2.300  -2.300
  350   1HE2  GLN  45           HE2      GLN  45 -21.399  -1.171  -1.171
  351   2HE2  GLN  45           HE2      GLN  45 -21.327  -0.262  -0.262
  352    H    MET  46           HN       MET  46 -21.984   0.252   0.252
  353    HA   MET  46           HA       MET  46 -22.878   0.593   0.593
  354   1HB   MET  46           HB2      MET  46 -23.311   1.723   1.723
  355   2HB   MET  46           HB3      MET  46 -24.848   1.615   1.615
  356   1HG   MET  46           HG2      MET  46 -22.711   2.623   2.623
  357   2HG   MET  46           HG3      MET  46 -22.908   3.626   3.626
  358   1HE   MET  46           HE1      MET  46 -24.549   5.320   5.320
  359   2HE   MET  46           HE2      MET  46 -25.681   4.073   4.073
  360   3HE   MET  46           HE3      MET  46 -26.225   5.292   5.292
  361    H    LYS  47           HN       LYS  47 -24.188  -1.292  -1.292
  362    HA   LYS  47           HA       LYS  47 -26.710  -1.775  -1.775
  363   1HB   LYS  47           HB2      LYS  47 -25.886  -2.020  -2.020
  364   2HB   LYS  47           HB3      LYS  47 -25.332  -3.608  -3.608
  365   1HG   LYS  47           HG2      LYS  47 -28.129  -2.875  -2.875
  366   2HG   LYS  47           HG3      LYS  47 -27.856  -3.125  -3.125
  367   1HD   LYS  47           HD2      LYS  47 -27.465  -5.387  -5.387
  368   2HD   LYS  47           HD3      LYS  47 -26.629  -5.189  -5.189
  369   1HE   LYS  47           HE2      LYS  47 -29.653  -4.881  -4.881
  370   2HE   LYS  47           HE3      LYS  47 -28.879  -6.381  -6.381
  371   1HZ   LYS  47           HZ1      LYS  47 -29.372  -5.341  -5.341
  372   2HZ   LYS  47           HZ2      LYS  47 -27.805  -4.941  -4.941
  373    H    ASP  48           HN       ASP  48 -23.509  -2.933  -2.933
  374    HA   ASP  48           HA       ASP  48 -24.726  -5.056  -5.056
  375   1HB   ASP  48           HB2      ASP  48 -22.291  -4.958  -4.958
  376   2HB   ASP  48           HB3      ASP  48 -22.027  -5.691  -5.691
  377    HD2  ASP  48           HD2      ASP  48 -22.906  -8.204  -8.204
  378    H    CYS  49           HN       CYS  49 -23.932  -2.007  -2.007
  379    HA   CYS  49           HA       CYS  49 -21.874  -2.205  -2.205
  380   1HB   CYS  49           HB2      CYS  49 -21.876  -0.309  -0.309
  381   2HB   CYS  49           HB3      CYS  49 -23.448   0.197   0.197
  382    H    THR  50           HN       THR  50 -22.525  -3.008  -3.008
  383    HA   THR  50           HA       THR  50 -25.262  -2.732  -2.732
  384    HB   THR  50           HB       THR  50 -23.864  -4.795  -4.795
  385    HG1  THR  50           HG1      THR  50 -24.372  -4.713  -4.713
  386   1HG2  THR  50           HG2      THR  50 -21.813  -3.114  -3.114
  387   2HG2  THR  50           HG2      THR  50 -22.504  -3.492  -3.492
  388   3HG2  THR  50           HG2      THR  50 -21.927  -4.805  -4.805
  389    H    GLU  51           HN       GLU  51 -22.793  -0.538  -0.538
  390    HA   GLU  51           HA       GLU  51 -22.816   0.486   0.486
  391   1HB   GLU  51           HB2      GLU  51 -21.190   0.925   0.925
  392   2HB   GLU  51           HB3      GLU  51 -22.336   2.163   2.163
  393   1HG   GLU  51           HG2      GLU  51 -21.528   3.586   3.586
  394   2HG   GLU  51           HG3      GLU  51 -21.845   2.424   2.424
  395    HE1  GLU  51           HE2      GLU  51 -19.031   1.363   1.363
  396    H    ARG  52           HN       ARG  52 -24.455   1.680   1.680
  397    HA   ARG  52           HA       ARG  52 -25.952   3.569   3.569
  398   1HB   ARG  52           HB2      ARG  52 -25.425   3.494   3.494
  399   2HB   ARG  52           HB3      ARG  52 -26.668   2.269   2.269
  400   1HG   ARG  52           HG2      ARG  52 -28.054   4.061   4.061
  401   2HG   ARG  52           HG3      ARG  52 -28.070   4.160   4.160
  402   1HD   ARG  52           HD2      ARG  52 -25.907   5.581   5.581
  403   2HD   ARG  52           HD3      ARG  52 -27.483   6.318   6.318
  404    HE   ARG  52           HE       ARG  52 -26.819   5.604   5.604
  405   1HH1  ARG  52           HH2      ARG  52 -25.123   7.451   7.451
  406   2HH1  ARG  52           HH2      ARG  52 -24.258   8.432   8.432
  407    HH2  ARG  52           HH1      ARG  52 -24.600   8.089   8.089
  408    H    GLN  53           HN       GLN  53 -27.080   2.596   2.596
  409    HA   GLN  53           HA       GLN  53 -29.515   1.360   1.360
  410   1HB   GLN  53           HB2      GLN  53 -27.269  -0.298  -0.298
  411   2HB   GLN  53           HB3      GLN  53 -28.832  -0.573  -0.573
  412   1HG   GLN  53           HG2      GLN  53 -29.549  -0.498  -0.498
  413   2HG   GLN  53           HG3      GLN  53 -27.929  -1.153  -1.153
  414   1HE2  GLN  53           HE2      GLN  53 -30.782  -3.693  -3.693
  415   2HE2  GLN  53           HE2      GLN  53 -30.757  -2.231  -2.231
  416    H    ALA  54           HN       ALA  54 -30.958   2.404   2.404
  417    HA   ALA  54           HA       ALA  54 -31.871   3.372   3.372
  418   1HB   ALA  54           HB2      ALA  54 -30.011   1.378   1.378
  419   2HB   ALA  54           HB3      ALA  54 -30.690   2.626   2.626
  420   3HB   ALA  54           HB1      ALA  54 -31.775   1.547   1.547
  421    H    ASN  55           HN       ASN  55 -31.614   5.222   5.222
  422    HA   ASN  55           HA       ASN  55 -29.158   6.248   6.248
  423   1HB   ASN  55           HB2      ASN  55 -28.937   8.147   8.147
  424   2HB   ASN  55           HB3      ASN  55 -28.837   6.620   6.620
  425   1HD2  ASN  55           HD2      ASN  55 -31.622   9.371   9.371
  426   2HD2  ASN  55           HD2      ASN  55 -30.275   9.616   9.616

  Start of MODEL   24
    1    H    MET   1           HN       MET   1   1.884   0.000   0.000
    2    HA   MET   1           HA       MET   1   1.328  -0.101  -0.101
    3   1HB   MET   1           HB2      MET   1   3.444   1.478   1.478
    4   2HB   MET   1           HB3      MET   1   3.545   1.247   1.247
    5   1HG   MET   1           HG2      MET   1   2.348   3.214   3.214
    6   2HG   MET   1           HG3      MET   1   0.975   2.147   2.147
    7   1HE   MET   1           HE2      MET   1   2.838   5.094   5.094
    8   2HE   MET   1           HE3      MET   1   1.111   5.287   5.287
    9   3HE   MET   1           HE1      MET   1   1.698   5.607   5.607
   10    H    GLN   2           HN       GLN   2   1.626  -2.375  -2.375
   11    HA   GLN   2           HA       GLN   2   3.365  -3.938  -3.938
   12   1HB   GLN   2           HB2      GLN   2   1.760  -4.740  -4.740
   13   2HB   GLN   2           HB3      GLN   2   2.676  -3.985  -3.985
   14   1HG   GLN   2           HG2      GLN   2   4.533  -5.611  -5.611
   15   2HG   GLN   2           HG3      GLN   2   3.087  -6.581  -6.581
   16   1HE2  GLN   2           HE2      GLN   2   3.157  -6.710  -6.710
   17   2HE2  GLN   2           HE2      GLN   2   2.121  -6.677  -6.677
   18    H    LYS   3           HN       LYS   3   4.152  -2.218  -2.218
   19    HA   LYS   3           HA       LYS   3   6.685  -1.427  -1.427
   20   1HB   LYS   3           HB2      LYS   3   6.542  -4.179  -4.179
   21   2HB   LYS   3           HB3      LYS   3   7.588  -3.228  -3.228
   22   1HG   LYS   3           HG2      LYS   3   7.919  -2.736  -2.736
   23   2HG   LYS   3           HG3      LYS   3   8.378  -4.339  -4.339
   24   1HD   LYS   3           HD2      LYS   3  10.386  -3.288  -3.288
   25   2HD   LYS   3           HD3      LYS   3   9.600  -2.914  -2.914
   26   1HE   LYS   3           HE2      LYS   3   9.828  -0.704  -0.704
   27   2HE   LYS   3           HE3      LYS   3   8.747  -0.889  -0.889
   28   1HZ   LYS   3           HZ1      LYS   3  10.489  -0.897  -0.897
   29   2HZ   LYS   3           HZ2      LYS   3  11.471  -1.770  -1.770
   30    H    GLY   4           HN       GLY   4   8.020  -0.637  -0.637
   31   1HA   GLY   4           HA1      GLY   4   6.378   1.057   1.057
   32   2HA   GLY   4           HA2      GLY   4   8.078   0.726   0.726
   33    H    ASN   5           HN       ASN   5   8.184   0.401   0.401
   34    HA   ASN   5           HA       ASN   5   7.313  -2.049  -2.049
   35   1HB   ASN   5           HB2      ASN   5   5.537   0.326   0.326
   36   2HB   ASN   5           HB3      ASN   5   5.877  -0.669  -0.669
   37   1HD2  ASN   5           HD2      ASN   5   2.814  -1.838  -1.838
   38   2HD2  ASN   5           HD2      ASN   5   3.367  -0.304  -0.304
   39    H    PHE   6           HN       PHE   6   9.374  -2.252  -2.252
   40    HA   PHE   6           HA       PHE   6  11.081  -1.882  -1.882
   41   1HB   PHE   6           HB2      PHE   6   8.718  -0.544  -0.544
   42   2HB   PHE   6           HB3      PHE   6  10.305  -0.396  -0.396
   43    HD1  PHE   6           HD1      PHE   6  11.569  -2.901  -2.901
   44    HD2  PHE   6           HD2      PHE   6   7.426  -2.123  -2.123
   45    HE1  PHE   6           HE1      PHE   6  11.276  -5.141  -5.141
   46    HE2  PHE   6           HE2      PHE   6   7.132  -4.363  -4.363
   47   1HZ   PHE   6           HZ       PHE   6   9.060  -5.845  -5.845
   48    H    ARG   7           HN       ARG   7   9.564   1.252   1.252
   49    HA   ARG   7           HA       ARG   7  11.980   2.545   2.545
   50   1HB   ARG   7           HB2      ARG   7  10.736   4.616   4.616
   51   2HB   ARG   7           HB3      ARG   7  10.941   3.328   3.328
   52   1HG   ARG   7           HG2      ARG   7   8.469   3.025   3.025
   53   2HG   ARG   7           HG3      ARG   7   8.514   4.536   4.536
   54   1HD   ARG   7           HD2      ARG   7   9.464   2.343   2.343
   55   2HD   ARG   7           HD3      ARG   7   7.886   1.961   1.961
   56    HE   ARG   7           HE       ARG   7   8.400   3.862   3.862
   57   1HH1  ARG   7           HH2      ARG   7   6.482   3.596   3.596
   58   2HH1  ARG   7           HH2      ARG   7   5.264   4.701   4.701
   59    HH2  ARG   7           HH1      ARG   7   5.467   5.703   5.703
   60    H    ASN   8           HN       ASN   8  12.352   3.539   3.539
   61    HA   ASN   8           HA       ASN   8  10.474   5.022   5.022
   62   1HB   ASN   8           HB2      ASN   8   9.880   3.612   3.612
   63   2HB   ASN   8           HB3      ASN   8   9.418   2.763   2.763
   64   1HD2  ASN   8           HD2      ASN   8  12.059   0.334   0.334
   65   2HD2  ASN   8           HD2      ASN   8  11.164   1.336   1.336
   66    H    GLN   9           HN       GLN   9  11.542   6.120   6.120
   67    HA   GLN   9           HA       GLN   9  13.717   5.117   5.117
   68   1HB   GLN   9           HB2      GLN   9  15.601   6.354   6.354
   69   2HB   GLN   9           HB3      GLN   9  14.911   5.239   5.239
   70   1HG   GLN   9           HG2      GLN   9  13.542   7.819   7.819
   71   2HG   GLN   9           HG3      GLN   9  15.272   8.043   8.043
   72   1HE2  GLN   9           HE2      GLN   9  15.249   7.186   7.186
   73   2HE2  GLN   9           HE2      GLN   9  15.818   8.168   8.168
   74    H    ARG  10           HN       ARG  10  14.518   6.657   6.657
   75    HA   ARG  10           HA       ARG  10  14.430   8.389   8.389
   76   1HB   ARG  10           HB2      ARG  10  13.038   9.913   9.913
   77   2HB   ARG  10           HB3      ARG  10  13.809  10.634  10.634
   78   1HG   ARG  10           HG2      ARG  10  15.458   8.779   8.779
   79   2HG   ARG  10           HG3      ARG  10  15.098  10.373  10.373
   80   1HD   ARG  10           HD2      ARG  10  15.861  10.913  10.913
   81   2HD   ARG  10           HD3      ARG  10  16.926   9.596   9.596
   82    HE   ARG  10           HE       ARG  10  16.988  11.344  11.344
   83   1HH1  ARG  10           HH2      ARG  10  17.743  11.585  11.585
   84   2HH1  ARG  10           HH2      ARG  10  18.943  12.813  12.813
   85    HH2  ARG  10           HH1      ARG  10  19.414  13.610  13.610
   86    H    LYS  11           HN       LYS  11  11.402   8.696   8.696
   87    HA   LYS  11           HA       LYS  11   9.260   8.633   8.633
   88   1HB   LYS  11           HB2      LYS  11  10.376   6.997   6.997
   89   2HB   LYS  11           HB3      LYS  11   8.673   7.409   7.409
   90   1HG   LYS  11           HG2      LYS  11   8.510   6.444   6.444
   91   2HG   LYS  11           HG3      LYS  11  10.198   5.983   5.983
   92   1HD   LYS  11           HD2      LYS  11   8.828   5.033   5.033
   93   2HD   LYS  11           HD3      LYS  11   7.928   4.527   4.527
   94   1HE   LYS  11           HE2      LYS  11  10.947   4.155   4.155
   95   2HE   LYS  11           HE3      LYS  11   9.833   2.962   2.962
   96   1HZ   LYS  11           HZ1      LYS  11  10.649   3.082   3.082
   97   2HZ   LYS  11           HZ2      LYS  11   9.330   2.272   2.272
   98    H    THR  12           HN       THR  12   7.706   9.983   9.983
   99    HA   THR  12           HA       THR  12   8.867  12.221  12.221
  100    HB   THR  12           HB       THR  12   6.037  11.503  11.503
  101    HG1  THR  12           HG1      THR  12   8.007  11.945  11.945
  102   1HG2  THR  12           HG2      THR  12   6.986  13.674  13.674
  103   2HG2  THR  12           HG2      THR  12   6.451  14.319  14.319
  104   3HG2  THR  12           HG2      THR  12   5.332  13.355  13.355
  105    H    VAL  13           HN       VAL  13   7.979   9.175   9.175
  106    HA   VAL  13           HA       VAL  13   6.358   9.454   9.454
  107    HB   VAL  13           HB       VAL  13   7.628   7.591   7.591
  108   1HG1  VAL  13           HG1      VAL  13   7.159   7.401   7.401
  109   2HG1  VAL  13           HG1      VAL  13   7.362   6.012   6.012
  110   3HG1  VAL  13           HG1      VAL  13   5.970   7.103   7.103
  111   1HG2  VAL  13           HG2      VAL  13   9.854   8.684   8.684
  112   2HG2  VAL  13           HG2      VAL  13   9.731   6.975   6.975
  113   3HG2  VAL  13           HG2      VAL  13   9.509   7.436   7.436
  114    H    LYS  14           HN       LYS  14   6.830   9.653   9.653
  115    HA   LYS  14           HA       LYS  14   9.041  11.537  11.537
  116   1HB   LYS  14           HB2      LYS  14   7.682  12.868  12.868
  117   2HB   LYS  14           HB3      LYS  14   6.743  12.587  12.587
  118   1HG   LYS  14           HG2      LYS  14   6.050  10.410  10.410
  119   2HG   LYS  14           HG3      LYS  14   6.211  11.720  11.720
  120   1HD   LYS  14           HD2      LYS  14   4.761  12.502  12.502
  121   2HD   LYS  14           HD3      LYS  14   3.967  11.220  11.220
  122   1HE   LYS  14           HE2      LYS  14   4.863  13.171  13.171
  123   2HE   LYS  14           HE3      LYS  14   4.073  14.044  14.044
  124   1HZ   LYS  14           HZ1      LYS  14   2.693  12.957  12.957
  125   2HZ   LYS  14           HZ2      LYS  14   2.072  13.035  13.035
  126    H    CYS  15           HN       CYS  15  10.411  11.069  11.069
  127    HA   CYS  15           HA       CYS  15  10.118   8.501   8.501
  128   1HB   CYS  15           HB2      CYS  15  12.300   9.335   9.335
  129   2HB   CYS  15           HB3      CYS  15  12.155  10.695  10.695
  130    H    PHE  16           HN       PHE  16   8.833   8.127   8.127
  131    HA   PHE  16           HA       PHE  16   7.975  10.376  10.376
  132   1HB   PHE  16           HB2      PHE  16   6.736   8.153   8.153
  133   2HB   PHE  16           HB3      PHE  16   7.437   7.418   7.418
  134    HD1  PHE  16           HD2      PHE  16   5.143  10.076  10.076
  135    HD2  PHE  16           HD1      PHE  16   6.500   7.779   7.779
  136    HE1  PHE  16           HE2      PHE  16   3.227  10.927  10.927
  137    HE2  PHE  16           HE1      PHE  16   4.583   8.630   8.630
  138   1HZ   PHE  16           HZ       PHE  16   2.970  10.194  10.194
  139    H    ASN  17           HN       ASN  17  10.849   9.025   9.025
  140    HA   ASN  17           HA       ASN  17  10.904   8.451   8.451
  141   1HB   ASN  17           HB2      ASN  17  11.898   6.804   6.804
  142   2HB   ASN  17           HB3      ASN  17  13.134   8.005   8.005
  143   1HD2  ASN  17           HD2      ASN  17  14.949   6.121   6.121
  144   2HD2  ASN  17           HD2      ASN  17  14.612   6.362   6.362
  145    H    CYS  18           HN       CYS  18  12.592  10.228  10.228
  146    HA   CYS  18           HA       CYS  18  13.865  11.919  11.919
  147   1HB   CYS  18           HB2      CYS  18  15.285  12.690  12.690
  148   2HB   CYS  18           HB3      CYS  18  15.457  10.994  10.994
  149    H    GLY  19           HN       GLY  19  11.557  11.775  11.775
  150   1HA   GLY  19           HA1      GLY  19   9.753  13.274  13.274
  151   2HA   GLY  19           HA2      GLY  19  10.712  14.517  14.517
  152    H    LYS  20           HN       LYS  20  12.893  13.097  13.097
  153    HA   LYS  20           HA       LYS  20  12.638  15.240  15.240
  154   1HB   LYS  20           HB2      LYS  20  14.628  12.971  12.971
  155   2HB   LYS  20           HB3      LYS  20  14.732  14.222  14.222
  156   1HG   LYS  20           HG2      LYS  20  14.442  15.008  15.008
  157   2HG   LYS  20           HG3      LYS  20  16.010  14.510  14.510
  158   1HD   LYS  20           HD2      LYS  20  15.949  16.265  16.265
  159   2HD   LYS  20           HD3      LYS  20  14.319  16.712  16.712
  160   1HE   LYS  20           HE2      LYS  20  15.134  17.366  17.366
  161   2HE   LYS  20           HE3      LYS  20  16.764  16.902  16.902
  162   1HZ   LYS  20           HZ1      LYS  20  15.604  18.720  18.720
  163   2HZ   LYS  20           HZ2      LYS  20  15.670  19.369  19.369
  164    H    GLU  21           HN       GLU  21  12.116  15.099  15.099
  165    HA   GLU  21           HA       GLU  21  10.585  12.728  12.728
  166   1HB   GLU  21           HB2      GLU  21   9.563  14.056  14.056
  167   2HB   GLU  21           HB3      GLU  21   9.579  15.008  15.008
  168   1HG   GLU  21           HG2      GLU  21  10.651  16.644  16.644
  169   2HG   GLU  21           HG3      GLU  21  12.054  15.598  15.598
  170    HE2  GLU  21           HE2      GLU  21  12.485  15.061  15.061
  171    H    GLY  22           HN       GLY  22  11.047  11.328  11.328
  172   1HA   GLY  22           HA1      GLY  22  12.293  11.311  11.311
  173   2HA   GLY  22           HA2      GLY  22  13.694  11.746  11.746
  174    H    HIS  23           HN       HIS  23  12.161   9.997   9.997
  175    HA   HIS  23           HA       HIS  23  12.595   7.371   7.371
  176   1HB   HIS  23           HB2      HIS  23  14.302   6.696   6.696
  177   2HB   HIS  23           HB3      HIS  23  14.869   8.098   8.098
  178    HD1  HIS  23           HD1      HIS  23  14.874  10.432  10.432
  179    HD2  HIS  23           HD2      HIS  23  14.221   6.986   6.986
  180    HE1  HIS  23           HE1      HIS  23  15.268  11.109  11.109
  181    H    ILE  24           HN       ILE  24  12.024   5.662   5.662
  182    HA   ILE  24           HA       ILE  24   9.772   6.729   6.729
  183    HB   ILE  24           HB       ILE  24   9.181   4.270   4.270
  184   1HG1  ILE  24           HG1      ILE  24  11.207   3.982   3.982
  185   2HG1  ILE  24           HG1      ILE  24  11.521   3.500   3.500
  186   1HG2  ILE  24           HG2      ILE  24   8.706   6.209   6.209
  187   2HG2  ILE  24           HG2      ILE  24   9.073   4.720   4.720
  188   3HG2  ILE  24           HG2      ILE  24   7.767   4.728   4.728
  189   1HD1  ILE  24           HD1      ILE  24   9.098   2.499   2.499
  190   2HD1  ILE  24           HD1      ILE  24  10.663   1.651   1.651
  191   3HD1  ILE  24           HD1      ILE  24   9.759   1.855   1.855
  192    H    ALA  25           HN       ALA  25   9.368   5.750   5.750
  193    HA   ALA  25           HA       ALA  25  11.600   6.183   6.183
  194   1HB   ALA  25           HB2      ALA  25   8.844   4.997   4.997
  195   2HB   ALA  25           HB3      ALA  25  10.020   5.090   5.090
  196   3HB   ALA  25           HB1      ALA  25   9.469   6.578   6.578
  197    H    LYS  26           HN       LYS  26  10.121   3.223   3.223
  198    HA   LYS  26           HA       LYS  26  11.666   1.426   1.426
  199   1HB   LYS  26           HB2      LYS  26   9.514   0.893   0.893
  200   2HB   LYS  26           HB3      LYS  26  10.327   1.005   1.005
  201   1HG   LYS  26           HG2      LYS  26  11.650  -0.758  -0.758
  202   2HG   LYS  26           HG3      LYS  26  10.099  -1.319  -1.319
  203   1HD   LYS  26           HD2      LYS  26  12.310  -0.411  -0.411
  204   2HD   LYS  26           HD3      LYS  26  12.201  -2.064  -2.064
  205   1HE   LYS  26           HE2      LYS  26  10.171  -2.474  -2.474
  206   2HE   LYS  26           HE3      LYS  26   9.737  -0.777  -0.777
  207   1HZ   LYS  26           HZ1      LYS  26  10.483  -1.472  -1.472
  208   2HZ   LYS  26           HZ2      LYS  26  11.620  -0.465  -0.465
  209    H    ASN  27           HN       ASN  27  12.402   3.568   3.568
  210    HA   ASN  27           HA       ASN  27  14.789   2.000   2.000
  211   1HB   ASN  27           HB2      ASN  27  13.195   2.675   2.675
  212   2HB   ASN  27           HB3      ASN  27  13.663   4.338   4.338
  213   1HD2  ASN  27           HD2      ASN  27  16.018   1.764   1.764
  214   2HD2  ASN  27           HD2      ASN  27  14.467   1.358   1.358
  215    H    CYS  28           HN       CYS  28  14.058   4.000   4.000
  216    HA   CYS  28           HA       CYS  28  15.578   6.333   6.333
  217   1HB   CYS  28           HB2      CYS  28  13.681   6.309   6.309
  218   2HB   CYS  28           HB3      CYS  28  14.570   5.231   5.231
  219    H    ARG  29           HN       ARG  29  17.797   6.387   6.387
  220    HA   ARG  29           HA       ARG  29  19.238   4.148   4.148
  221   1HB   ARG  29           HB2      ARG  29  20.076   6.796   6.796
  222   2HB   ARG  29           HB3      ARG  29  21.248   5.593   5.593
  223   1HG   ARG  29           HG2      ARG  29  20.269   3.923   3.923
  224   2HG   ARG  29           HG3      ARG  29  18.947   5.001   5.001
  225   1HD   ARG  29           HD2      ARG  29  20.483   5.217   5.217
  226   2HD   ARG  29           HD3      ARG  29  20.729   6.662   6.662
  227    HE   ARG  29           HE       ARG  29  22.502   4.601   4.601
  228   1HH1  ARG  29           HH2      ARG  29  22.062   6.790   6.790
  229   2HH1  ARG  29           HH2      ARG  29  23.747   6.831   6.831
  230    HH2  ARG  29           HH1      ARG  29  25.296   5.568   5.568
  231    H    ALA  30           HN       ALA  30  17.823   6.653   6.653
  232    HA   ALA  30           HA       ALA  30  19.574   8.025   8.025
  233   1HB   ALA  30           HB2      ALA  30  16.970   6.655   6.655
  234   2HB   ALA  30           HB3      ALA  30  17.850   7.604   7.604
  235   3HB   ALA  30           HB1      ALA  30  17.291   8.384   8.384
  236    HA   PRO  31           HA       PRO  31  21.894   4.646   4.646
  237   1HB   PRO  31           HB2      PRO  31  24.219   6.031   6.031
  238   2HB   PRO  31           HB3      PRO  31  23.838   5.187   5.187
  239   1HG   PRO  31           HG2      PRO  31  23.788   8.092   8.092
  240   2HG   PRO  31           HG3      PRO  31  23.831   7.267   7.267
  241   1HD   PRO  31           HD2      PRO  31  21.551   8.507   8.507
  242   2HD   PRO  31           HD3      PRO  31  21.569   7.583   7.583
  243    H    ARG  32           HN       ARG  32  19.995   5.337   5.337
  244    HA   ARG  32           HA       ARG  32  19.425   5.995   5.995
  245   1HB   ARG  32           HB2      ARG  32  20.740   3.749   3.749
  246   2HB   ARG  32           HB3      ARG  32  22.032   4.709   4.709
  247   1HG   ARG  32           HG2      ARG  32  20.250   5.648   5.648
  248   2HG   ARG  32           HG3      ARG  32  19.198   4.369   4.369
  249   1HD   ARG  32           HD2      ARG  32  21.732   3.149   3.149
  250   2HD   ARG  32           HD3      ARG  32  21.357   4.204   4.204
  251    HE   ARG  32           HE       ARG  32  18.965   2.947   2.947
  252   1HH1  ARG  32           HH2      ARG  32  22.256   1.641   1.641
  253   2HH1  ARG  32           HH2      ARG  32  21.758   0.114   0.114
  254    HH2  ARG  32           HH1      ARG  32  19.431  -0.280  -0.280
  255    H    LYS  33           HN       LYS  33  19.598   8.299   8.299
  256    HA   LYS  33           HA       LYS  33  21.729   9.313   9.313
  257   1HB   LYS  33           HB2      LYS  33  22.220  11.145  11.145
  258   2HB   LYS  33           HB3      LYS  33  22.930   9.567   9.567
  259   1HG   LYS  33           HG2      LYS  33  21.937   9.503   9.503
  260   2HG   LYS  33           HG3      LYS  33  20.372   9.471   9.471
  261   1HD   LYS  33           HD2      LYS  33  20.343  11.368  11.368
  262   2HD   LYS  33           HD3      LYS  33  20.468  12.016  12.016
  263   1HE   LYS  33           HE2      LYS  33  22.558  12.883  12.883
  264   2HE   LYS  33           HE3      LYS  33  23.110  11.449  11.449
  265   1HZ   LYS  33           HZ1      LYS  33  21.162  13.137  13.137
  266   2HZ   LYS  33           HZ2      LYS  33  22.684  13.704  13.704
  267    H    LYS  34           HN       LYS  34  18.871   9.995   9.995
  268    HA   LYS  34           HA       LYS  34  18.118  12.386  12.386
  269   1HB   LYS  34           HB2      LYS  34  16.861  10.231  10.231
  270   2HB   LYS  34           HB3      LYS  34  15.723  11.097  11.097
  271   1HG   LYS  34           HG2      LYS  34  15.698  12.487  12.487
  272   2HG   LYS  34           HG3      LYS  34  16.992  13.250  13.250
  273   1HD   LYS  34           HD2      LYS  34  17.920  13.001  13.001
  274   2HD   LYS  34           HD3      LYS  34  18.600  11.648  11.648
  275   1HE   LYS  34           HE2      LYS  34  17.052  10.085  10.085
  276   2HE   LYS  34           HE3      LYS  34  16.015  11.366  11.366
  277   1HZ   LYS  34           HZ1      LYS  34  18.734  11.534  11.534
  278   2HZ   LYS  34           HZ2      LYS  34  17.958  10.189  10.189
  279    H    GLY  35           HN       GLY  35  16.007   9.618   9.618
  280   1HA   GLY  35           HA1      GLY  35  16.634   9.620   9.620
  281   2HA   GLY  35           HA2      GLY  35  15.197  10.562  10.562
  282    H    CYS  36           HN       CYS  36  13.356   9.402   9.402
  283    HA   CYS  36           HA       CYS  36  13.153   6.767   6.767
  284   1HB   CYS  36           HB2      CYS  36  11.348   8.380   8.380
  285   2HB   CYS  36           HB3      CYS  36  11.106   8.517   8.517
  286    H    TRP  37           HN       TRP  37  13.642   4.981   4.981
  287    HA   TRP  37           HA       TRP  37  13.933   5.341   5.341
  288   1HB   TRP  37           HB2      TRP  37  15.639   4.219   4.219
  289   2HB   TRP  37           HB3      TRP  37  14.536   2.858   2.858
  290    HD1  TRP  37           HD1      TRP  37  14.023   3.857   3.857
  291    HE1  TRP  37           HE1      TRP  37  15.581   2.690   2.690
  292    HE3  TRP  37           HE3      TRP  37  17.478   2.193   2.193
  293    HZ2  TRP  37           HZ2      TRP  37  18.030   1.235   1.235
  294    HZ3  TRP  37           HZ3      TRP  37  19.422   0.907   0.907
  295    HH2  TRP  37           HH2      TRP  37  19.728   0.422   0.422
  296    H    LYS  38           HN       LYS  38  11.319   5.134   5.134
  297    HA   LYS  38           HA       LYS  38  10.138   2.863   2.863
  298   1HB   LYS  38           HB2      LYS  38  10.112   3.026   3.026
  299   2HB   LYS  38           HB3      LYS  38   8.927   4.299   4.299
  300   1HG   LYS  38           HG2      LYS  38   7.401   2.597   2.597
  301   2HG   LYS  38           HG3      LYS  38   7.901   2.383   2.383
  302   1HD   LYS  38           HD2      LYS  38   9.414   0.602   0.602
  303   2HD   LYS  38           HD3      LYS  38   9.387   1.001   1.001
  304   1HE   LYS  38           HE2      LYS  38   6.732   0.335   0.335
  305   2HE   LYS  38           HE3      LYS  38   7.872  -0.991  -0.991
  306   1HZ   LYS  38           HZ1      LYS  38   6.852   0.667   0.667
  307   2HZ   LYS  38           HZ2      LYS  38   6.695  -0.943  -0.943
  308    H    CYS  39           HN       CYS  39   9.718   6.348   6.348
  309    HA   CYS  39           HA       CYS  39   7.735   6.485   6.485
  310   1HB   CYS  39           HB2      CYS  39   7.070   8.643   8.643
  311   2HB   CYS  39           HB3      CYS  39   6.773   7.224   7.224
  312    H    GLY  40           HN       GLY  40  10.915   7.462   7.462
  313   1HA   GLY  40           HA1      GLY  40  12.619   8.220   8.220
  314   2HA   GLY  40           HA2      GLY  40  11.447   8.781   8.781
  315    H    LYS  41           HN       LYS  41  10.780   9.510   9.510
  316    HA   LYS  41           HA       LYS  41  11.067  12.314  12.314
  317   1HB   LYS  41           HB2      LYS  41   9.182  11.088  11.088
  318   2HB   LYS  41           HB3      LYS  41  10.302  11.156  11.156
  319   1HG   LYS  41           HG2      LYS  41  10.258  13.502  13.502
  320   2HG   LYS  41           HG3      LYS  41   9.847  13.684  13.684
  321   1HD   LYS  41           HD2      LYS  41   7.632  12.315  12.315
  322   2HD   LYS  41           HD3      LYS  41   8.061  13.250  13.250
  323   1HE   LYS  41           HE2      LYS  41   7.187  15.124  15.124
  324   2HE   LYS  41           HE3      LYS  41   8.287  14.991  14.991
  325   1HZ   LYS  41           HZ1      LYS  41   5.637  13.669  13.669
  326   2HZ   LYS  41           HZ2      LYS  41   6.034  14.869  14.869
  327    H    GLU  42           HN       GLU  42  13.053  13.224  13.224
  328    HA   GLU  42           HA       GLU  42  15.139  12.035  12.035
  329   1HB   GLU  42           HB2      GLU  42  16.496  13.880  13.880
  330   2HB   GLU  42           HB3      GLU  42  15.448  13.331  13.331
  331   1HG   GLU  42           HG2      GLU  42  13.837  15.240  15.240
  332   2HG   GLU  42           HG3      GLU  42  15.415  15.915  15.915
  333    HE1  GLU  42           HE2      GLU  42  16.364  15.096  15.096
  334    H    GLY  43           HN       GLY  43  13.799  12.032  12.032
  335   1HA   GLY  43           HA1      GLY  43  14.820  14.050  14.050
  336   2HA   GLY  43           HA2      GLY  43  13.117  14.312  14.312
  337    H    HIS  44           HN       HIS  44  11.657  12.271  12.271
  338    HA   HIS  44           HA       HIS  44  12.273  11.140  11.140
  339   1HB   HIS  44           HB2      HIS  44  10.032  10.530  10.530
  340   2HB   HIS  44           HB3      HIS  44  10.009  12.035  12.035
  341    HD1  HIS  44           HD1      HIS  44   8.401  11.936  11.936
  342    HD2  HIS  44           HD2      HIS  44  10.237   8.227   8.227
  343    HE1  HIS  44           HE1      HIS  44   7.435  10.329  10.329
  344    H    GLN  45           HN       GLN  45  11.845   8.698   8.698
  345    HA   GLN  45           HA       GLN  45  13.057   7.296   7.296
  346   1HB   GLN  45           HB2      GLN  45  13.324   6.407   6.407
  347   2HB   GLN  45           HB3      GLN  45  14.306   5.940   5.940
  348   1HG   GLN  45           HG2      GLN  45  15.751   7.612   7.612
  349   2HG   GLN  45           HG3      GLN  45  14.494   8.780   8.780
  350   1HE2  GLN  45           HE2      GLN  45  13.629   9.531   9.531
  351   2HE2  GLN  45           HE2      GLN  45  13.165   9.576   9.576
  352    H    MET  46           HN       MET  46  12.609   4.764   4.764
  353    HA   MET  46           HA       MET  46   9.919   4.418   4.418
  354   1HB   MET  46           HB2      MET  46  11.953   2.315   2.315
  355   2HB   MET  46           HB3      MET  46  10.477   1.991   1.991
  356   1HG   MET  46           HG2      MET  46  11.461   2.477   2.477
  357   2HG   MET  46           HG3      MET  46  12.110   3.989   3.989
  358   1HE   MET  46           HE3      MET  46  12.571   0.462   0.462
  359   2HE   MET  46           HE1      MET  46  12.648   0.084   0.084
  360   3HE   MET  46           HE2      MET  46  14.100  -0.092  -0.092
  361    H    LYS  47           HN       LYS  47  11.950   3.561   3.561
  362    HA   LYS  47           HA       LYS  47   9.859   2.529   2.529
  363   1HB   LYS  47           HB2      LYS  47  12.283   2.200   2.200
  364   2HB   LYS  47           HB3      LYS  47  12.410   3.869   3.869
  365   1HG   LYS  47           HG2      LYS  47  10.185   2.518   2.518
  366   2HG   LYS  47           HG3      LYS  47  11.687   1.649   1.649
  367   1HD   LYS  47           HD2      LYS  47  11.882   4.618   4.618
  368   2HD   LYS  47           HD3      LYS  47  10.902   3.819   3.819
  369   1HE   LYS  47           HE2      LYS  47  13.750   2.973   2.973
  370   2HE   LYS  47           HE3      LYS  47  13.352   4.028   4.028
  371   1HZ   LYS  47           HZ1      LYS  47  12.304   2.291   2.291
  372   2HZ   LYS  47           HZ2      LYS  47  12.031   1.400   1.400
  373    H    ASP  48           HN       ASP  48  10.558   5.769   5.769
  374    HA   ASP  48           HA       ASP  48   8.568   6.687   6.687
  375   1HB   ASP  48           HB2      ASP  48  11.130   7.469   7.469
  376   2HB   ASP  48           HB3      ASP  48  10.666   8.564   8.564
  377    HD2  ASP  48           HD2      ASP  48   8.905   9.945   9.945
  378    H    CYS  49           HN       CYS  49   8.039   5.655   5.655
  379    HA   CYS  49           HA       CYS  49   7.977   7.826   7.826
  380   1HB   CYS  49           HB2      CYS  49   8.277   5.572   5.572
  381   2HB   CYS  49           HB3      CYS  49   6.782   5.039   5.039
  382    H    THR  50           HN       THR  50   6.584   9.516   9.516
  383    HA   THR  50           HA       THR  50   4.054   8.923   8.923
  384    HB   THR  50           HB       THR  50   5.571  10.766  10.766
  385    HG1  THR  50           HG1      THR  50   3.723  12.099  12.099
  386   1HG2  THR  50           HG2      THR  50   6.095  11.376  11.376
  387   2HG2  THR  50           HG2      THR  50   4.696  12.446  12.446
  388   3HG2  THR  50           HG2      THR  50   6.141  12.609  12.609
  389    H    GLU  51           HN       GLU  51   4.987   8.448   8.448
  390    HA   GLU  51           HA       GLU  51   2.404   8.742   8.742
  391   1HB   GLU  51           HB2      GLU  51   2.954  11.131  11.131
  392   2HB   GLU  51           HB3      GLU  51   4.441  10.775  10.775
  393   1HG   GLU  51           HG2      GLU  51   2.489   9.442   9.442
  394   2HG   GLU  51           HG3      GLU  51   1.677  10.915  10.915
  395    HE1  GLU  51           HE2      GLU  51   4.827   9.984   9.984
  396    H    ARG  52           HN       ARG  52   2.279   6.921   6.921
  397    HA   ARG  52           HA       ARG  52   4.324   6.499   6.499
  398   1HB   ARG  52           HB2      ARG  52   4.346   5.048   5.048
  399   2HB   ARG  52           HB3      ARG  52   3.870   3.920   3.920
  400   1HG   ARG  52           HG2      ARG  52   6.267   5.765   5.765
  401   2HG   ARG  52           HG3      ARG  52   6.416   4.214   4.214
  402   1HD   ARG  52           HD2      ARG  52   5.291   4.579   4.579
  403   2HD   ARG  52           HD3      ARG  52   6.951   4.134   4.134
  404    HE   ARG  52           HE       ARG  52   5.529   2.245   2.245
  405   1HH1  ARG  52           HH2      ARG  52   5.383   3.331   3.331
  406   2HH1  ARG  52           HH2      ARG  52   4.841   1.799   1.799
  407    HH2  ARG  52           HH1      ARG  52   4.514  -0.014  -0.014
  408    H    GLN  53           HN       GLN  53   1.514   4.941   4.941
  409    HA   GLN  53           HA       GLN  53  -0.322   4.032   4.032
  410   1HB   GLN  53           HB2      GLN  53   0.193   6.023   6.023
  411   2HB   GLN  53           HB3      GLN  53  -1.116   4.875   4.875
  412   1HG   GLN  53           HG2      GLN  53  -2.325   6.461   6.461
  413   2HG   GLN  53           HG3      GLN  53  -1.645   5.670   5.670
  414   1HE2  GLN  53           HE2      GLN  53  -0.984   8.208   8.208
  415   2HE2  GLN  53           HE2      GLN  53  -0.159   9.305   9.305
  416    H    ALA  54           HN       ALA  54  -1.348   2.623   2.623
  417    HA   ALA  54           HA       ALA  54  -1.189   0.802   0.802
  418   1HB   ALA  54           HB3      ALA  54   0.547   2.714   2.714
  419   2HB   ALA  54           HB1      ALA  54   1.418   1.162   1.162
  420   3HB   ALA  54           HB2      ALA  54  -0.195   1.299   1.299
  421    H    ASN  55           HN       ASN  55   0.239  -1.243  -1.243
  422    HA   ASN  55           HA       ASN  55   2.487  -1.709  -1.709
  423   1HB   ASN  55           HB2      ASN  55   1.665  -2.990  -2.990
  424   2HB   ASN  55           HB3      ASN  55   0.885  -1.421  -1.421
  425   1HD2  ASN  55           HD2      ASN  55  -2.343  -2.635  -2.635
  426   2HD2  ASN  55           HD2      ASN  55  -1.221  -1.353  -1.353

  Start of MODEL   25
    1    H    MET   1           HN       MET   1   1.884   0.000   0.000
    2    HA   MET   1           HA       MET   1   3.115   0.149   0.149
    3   1HB   MET   1           HB2      MET   1   0.827  -1.628  -1.628
    4   2HB   MET   1           HB3      MET   1   2.136  -1.235  -1.235
    5   1HG   MET   1           HG2      MET   1   2.788  -2.284  -2.284
    6   2HG   MET   1           HG3      MET   1   2.285  -3.408  -3.408
    7   1HE   MET   1           HE1      MET   1   3.283  -3.885  -3.885
    8   2HE   MET   1           HE2      MET   1   3.724  -2.352  -2.352
    9   3HE   MET   1           HE3      MET   1   4.971  -3.584  -3.584
   10    H    GLN   2           HN       GLN   2  -0.333   0.480   0.480
   11    HA   GLN   2           HA       GLN   2  -1.253   1.814   1.814
   12   1HB   GLN   2           HB2      GLN   2  -0.980   4.201   4.201
   13   2HB   GLN   2           HB3      GLN   2  -0.903   3.352   3.352
   14   1HG   GLN   2           HG2      GLN   2   1.460   3.618   3.618
   15   2HG   GLN   2           HG3      GLN   2   1.648   3.943   3.943
   16   1HE2  GLN   2           HE2      GLN   2   1.901   7.075   7.075
   17   2HE2  GLN   2           HE2      GLN   2   2.609   5.497   5.497
   18    H    LYS   3           HN       LYS   3  -0.576   3.924   3.924
   19    HA   LYS   3           HA       LYS   3   0.459   4.481   4.481
   20   1HB   LYS   3           HB2      LYS   3   2.814   3.076   3.076
   21   2HB   LYS   3           HB3      LYS   3   2.916   3.937   3.937
   22   1HG   LYS   3           HG2      LYS   3   2.168   6.029   6.029
   23   2HG   LYS   3           HG3      LYS   3   1.918   5.188   5.188
   24   1HD   LYS   3           HD2      LYS   3   4.644   5.050   5.050
   25   2HD   LYS   3           HD3      LYS   3   4.185   6.523   6.523
   26   1HE   LYS   3           HE2      LYS   3   3.499   4.926   4.926
   27   2HE   LYS   3           HE3      LYS   3   4.471   3.726   3.726
   28   1HZ   LYS   3           HZ1      LYS   3   5.913   4.858   4.858
   29   2HZ   LYS   3           HZ2      LYS   3   6.306   5.454   5.454
   30    H    GLY   4           HN       GLY   4   1.912   1.204   1.204
   31   1HA   GLY   4           HA1      GLY   4   1.734  -0.715  -0.715
   32   2HA   GLY   4           HA2      GLY   4   0.157  -0.181  -0.181
   33    H    ASN   5           HN       ASN   5   1.176  -1.509  -1.509
   34    HA   ASN   5           HA       ASN   5   1.633   0.340   0.340
   35   1HB   ASN   5           HB2      ASN   5   3.964  -0.190  -0.190
   36   2HB   ASN   5           HB3      ASN   5   3.937   0.438   0.438
   37   1HD2  ASN   5           HD2      ASN   5   4.686  -2.641  -2.641
   38   2HD2  ASN   5           HD2      ASN   5   3.819  -1.148  -1.148
   39    H    PHE   6           HN       PHE   6   1.883  -0.840  -0.840
   40    HA   PHE   6           HA       PHE   6   0.851  -3.558  -3.558
   41   1HB   PHE   6           HB2      PHE   6   0.330  -3.066  -3.066
   42   2HB   PHE   6           HB3      PHE   6  -0.514  -2.048  -2.048
   43    HD1  PHE   6           HD2      PHE   6   2.171  -2.162  -2.162
   44    HD2  PHE   6           HD1      PHE   6  -0.009   0.306   0.306
   45    HE1  PHE   6           HE2      PHE   6   3.092  -0.120  -0.120
   46    HE2  PHE   6           HE1      PHE   6   0.912   2.348   2.348
   47   1HZ   PHE   6           HZ       PHE   6   2.452   2.111   2.111
   48    H    ARG   7           HN       ARG   7   1.525  -5.042  -5.042
   49    HA   ARG   7           HA       ARG   7   3.061  -6.167  -6.167
   50   1HB   ARG   7           HB2      ARG   7   3.646  -3.507  -3.507
   51   2HB   ARG   7           HB3      ARG   7   5.201  -4.135  -4.135
   52   1HG   ARG   7           HG2      ARG   7   4.916  -6.084  -6.084
   53   2HG   ARG   7           HG3      ARG   7   3.366  -5.447  -5.447
   54   1HD   ARG   7           HD2      ARG   7   4.631  -3.284  -3.284
   55   2HD   ARG   7           HD3      ARG   7   6.112  -4.190  -4.190
   56    HE   ARG   7           HE       ARG   7   4.119  -5.477  -5.477
   57   1HH1  ARG   7           HH2      ARG   7   7.020  -3.453  -3.453
   58   2HH1  ARG   7           HH2      ARG   7   7.488  -3.746  -3.746
   59    HH2  ARG   7           HH1      ARG   7   6.130  -5.165  -5.165
   60    H    ASN   8           HN       ASN   8   4.033  -7.713  -7.713
   61    HA   ASN   8           HA       ASN   8   5.403  -6.976  -6.976
   62   1HB   ASN   8           HB2      ASN   8   4.300  -9.351  -9.351
   63   2HB   ASN   8           HB3      ASN   8   6.006  -9.694  -9.694
   64   1HD2  ASN   8           HD2      ASN   8   5.735 -10.368 -10.368
   65   2HD2  ASN   8           HD2      ASN   8   6.482 -10.622 -10.622
   66    H    GLN   9           HN       GLN   9   6.381  -8.607  -8.607
   67    HA   GLN   9           HA       GLN   9   8.675  -7.121  -7.121
   68   1HB   GLN   9           HB2      GLN   9   9.488  -8.312  -8.312
   69   2HB   GLN   9           HB3      GLN   9   9.189  -9.856  -9.856
   70   1HG   GLN   9           HG2      GLN   9  11.580  -9.231  -9.231
   71   2HG   GLN   9           HG3      GLN   9  10.842  -9.333  -9.333
   72   1HE2  GLN   9           HE2      GLN   9  11.826  -6.163  -6.163
   73   2HE2  GLN   9           HE2      GLN   9  11.479  -7.815  -7.815
   74    H    ARG  10           HN       ARG  10   7.659  -7.170  -7.170
   75    HA   ARG  10           HA       ARG  10   7.432  -7.854  -7.854
   76   1HB   ARG  10           HB2      ARG  10   9.788  -9.351  -9.351
   77   2HB   ARG  10           HB3      ARG  10   8.946 -10.226 -10.226
   78   1HG   ARG  10           HG2      ARG  10   9.076  -7.415  -7.415
   79   2HG   ARG  10           HG3      ARG  10  10.682  -7.962  -7.962
   80   1HD   ARG  10           HD2      ARG  10  10.457  -8.415  -8.415
   81   2HD   ARG  10           HD3      ARG  10  10.327  -9.970  -9.970
   82    HE   ARG  10           HE       ARG  10   7.704  -9.222  -9.222
   83   1HH1  ARG  10           HH2      ARG  10  10.238  -9.216  -9.216
   84   2HH1  ARG  10           HH2      ARG  10   9.131  -9.461  -9.461
   85    HH2  ARG  10           HH1      ARG  10   6.788  -9.653  -9.653
   86    H    LYS  11           HN       LYS  11   5.784  -9.008  -9.008
   87    HA   LYS  11           HA       LYS  11   4.083 -10.400 -10.400
   88   1HB   LYS  11           HB2      LYS  11   5.887 -11.934 -11.934
   89   2HB   LYS  11           HB3      LYS  11   6.085 -12.425 -12.425
   90   1HG   LYS  11           HG2      LYS  11   3.490 -12.985 -12.985
   91   2HG   LYS  11           HG3      LYS  11   3.773 -12.987 -12.987
   92   1HD   LYS  11           HD2      LYS  11   5.596 -14.572 -14.572
   93   2HD   LYS  11           HD3      LYS  11   4.045 -15.233 -15.233
   94   1HE   LYS  11           HE2      LYS  11   5.767 -14.105 -14.105
   95   2HE   LYS  11           HE3      LYS  11   6.306 -15.602 -15.602
   96   1HZ   LYS  11           HZ1      LYS  11   3.615 -15.165 -15.165
   97   2HZ   LYS  11           HZ2      LYS  11   4.810 -16.042 -16.042
   98    H    THR  12           HN       THR  12   2.703  -9.345  -9.345
   99    HA   THR  12           HA       THR  12   2.441 -10.810 -10.810
  100    HB   THR  12           HB       THR  12   1.962  -7.818  -7.818
  101    HG1  THR  12           HG1      THR  12   4.240  -8.761  -8.761
  102   1HG2  THR  12           HG2      THR  12   0.958  -9.083  -9.083
  103   2HG2  THR  12           HG2      THR  12   2.643  -9.358  -9.358
  104   3HG2  THR  12           HG2      THR  12   2.015  -7.699  -7.699
  105    H    VAL  13           HN       VAL  13   0.761  -8.650  -8.650
  106    HA   VAL  13           HA       VAL  13  -1.579 -10.374 -10.374
  107    HB   VAL  13           HB       VAL  13  -2.800  -8.055  -8.055
  108   1HG1  VAL  13           HG1      VAL  13  -2.063  -9.595  -9.595
  109   2HG1  VAL  13           HG1      VAL  13  -2.497  -7.903  -7.903
  110   3HG1  VAL  13           HG1      VAL  13  -3.644  -8.960  -8.960
  111   1HG2  VAL  13           HG2      VAL  13  -0.237  -7.273  -7.273
  112   2HG2  VAL  13           HG2      VAL  13  -0.829  -6.667  -6.667
  113   3HG2  VAL  13           HG2      VAL  13  -1.704  -6.266  -6.266
  114    H    LYS  14           HN       LYS  14  -3.138 -10.158 -10.158
  115    HA   LYS  14           HA       LYS  14  -1.605  -9.569  -9.569
  116   1HB   LYS  14           HB2      LYS  14  -2.644 -11.417 -11.417
  117   2HB   LYS  14           HB3      LYS  14  -2.010 -12.001 -12.001
  118   1HG   LYS  14           HG2      LYS  14  -4.452 -11.380 -11.380
  119   2HG   LYS  14           HG3      LYS  14  -4.885 -11.512 -11.512
  120   1HD   LYS  14           HD2      LYS  14  -3.349 -13.792 -13.792
  121   2HD   LYS  14           HD3      LYS  14  -4.094 -13.642 -13.642
  122   1HE   LYS  14           HE2      LYS  14  -5.868 -13.285 -13.285
  123   2HE   LYS  14           HE3      LYS  14  -5.320 -14.908 -14.908
  124   1HZ   LYS  14           HZ1      LYS  14  -7.450 -13.795 -13.795
  125   2HZ   LYS  14           HZ2      LYS  14  -6.578 -14.967 -14.967
  126    H    CYS  15           HN       CYS  15  -2.349  -7.830  -7.830
  127    HA   CYS  15           HA       CYS  15  -4.673  -6.513  -6.513
  128   1HB   CYS  15           HB2      CYS  15  -2.853  -5.350  -5.350
  129   2HB   CYS  15           HB3      CYS  15  -2.997  -6.319  -6.319
  130    H    PHE  16           HN       PHE  16  -6.758  -7.210  -7.210
  131    HA   PHE  16           HA       PHE  16  -7.272  -9.206  -9.206
  132   1HB   PHE  16           HB2      PHE  16  -9.266  -7.697  -7.697
  133   2HB   PHE  16           HB3      PHE  16  -9.408  -9.340  -9.340
  134    HD1  PHE  16           HD1      PHE  16  -7.376 -10.916 -10.916
  135    HD2  PHE  16           HD2      PHE  16  -8.746  -7.435  -7.435
  136    HE1  PHE  16           HE1      PHE  16  -6.410 -11.775 -11.775
  137    HE2  PHE  16           HE2      PHE  16  -7.780  -8.294  -8.294
  138   1HZ   PHE  16           HZ       PHE  16  -6.624 -10.453 -10.453
  139    H    ASN  17           HN       ASN  17  -6.681  -6.089  -6.089
  140    HA   ASN  17           HA       ASN  17  -9.097  -5.517  -5.517
  141   1HB   ASN  17           HB2      ASN  17  -7.890  -3.835  -3.835
  142   2HB   ASN  17           HB3      ASN  17  -6.700  -3.661  -3.661
  143   1HD2  ASN  17           HD2      ASN  17  -8.587  -1.043  -1.043
  144   2HD2  ASN  17           HD2      ASN  17  -7.114  -1.606  -1.606
  145    H    CYS  18           HN       CYS  18  -5.477  -5.678  -5.678
  146    HA   CYS  18           HA       CYS  18  -5.754  -5.684  -5.684
  147   1HB   CYS  18           HB2      CYS  18  -3.293  -5.280  -5.280
  148   2HB   CYS  18           HB3      CYS  18  -4.265  -3.989  -3.989
  149    H    GLY  19           HN       GLY  19  -4.549  -7.447  -7.447
  150   1HA   GLY  19           HA1      GLY  19  -4.607  -9.793  -9.793
  151   2HA   GLY  19           HA2      GLY  19  -4.401  -9.889  -9.889
  152    H    LYS  20           HN       LYS  20  -2.467  -7.554  -7.554
  153    HA   LYS  20           HA       LYS  20  -0.127  -9.242  -9.242
  154   1HB   LYS  20           HB2      LYS  20  -0.667  -6.618  -6.618
  155   2HB   LYS  20           HB3      LYS  20   0.380  -6.433  -6.433
  156   1HG   LYS  20           HG2      LYS  20   1.932  -6.637  -6.637
  157   2HG   LYS  20           HG3      LYS  20   1.870  -8.273  -8.273
  158   1HD   LYS  20           HD2      LYS  20   1.385  -8.927  -8.927
  159   2HD   LYS  20           HD3      LYS  20  -0.216  -8.268  -8.268
  160   1HE   LYS  20           HE2      LYS  20   2.155  -6.707  -6.707
  161   2HE   LYS  20           HE3      LYS  20   0.837  -7.365  -7.365
  162   1HZ   LYS  20           HZ1      LYS  20   0.501  -5.002  -5.002
  163   2HZ   LYS  20           HZ2      LYS  20  -0.700  -5.922  -5.922
  164    H    GLU  21           HN       GLU  21   1.294  -9.781  -9.781
  165    HA   GLU  21           HA       GLU  21   0.182  -9.405  -9.405
  166   1HB   GLU  21           HB2      GLU  21   1.783 -11.111 -11.111
  167   2HB   GLU  21           HB3      GLU  21   0.970 -11.650 -11.650
  168   1HG   GLU  21           HG2      GLU  21   3.113 -10.331 -10.331
  169   2HG   GLU  21           HG3      GLU  21   3.828 -10.869 -10.869
  170    HE2  GLU  21           HE2      GLU  21   3.355 -11.709 -11.709
  171    H    GLY  22           HN       GLY  22   0.949  -7.971  -7.971
  172   1HA   GLY  22           HA1      GLY  22   3.263  -7.175  -7.175
  173   2HA   GLY  22           HA2      GLY  22   3.317  -6.397  -6.397
  174    H    HIS  23           HN       HIS  23   0.251  -6.054  -6.054
  175    HA   HIS  23           HA       HIS  23   0.013  -4.124  -4.124
  176   1HB   HIS  23           HB2      HIS  23  -0.569  -2.299  -2.299
  177   2HB   HIS  23           HB3      HIS  23   0.959  -2.928  -2.928
  178    HD1  HIS  23           HD1      HIS  23   0.873  -4.363  -4.363
  179    HD2  HIS  23           HD2      HIS  23  -2.649  -2.319  -2.319
  180    HE1  HIS  23           HE1      HIS  23  -0.556  -4.314  -4.314
  181    H    ILE  24           HN       ILE  24  -2.348  -3.254  -3.254
  182    HA   ILE  24           HA       ILE  24  -4.081  -5.529  -5.529
  183    HB   ILE  24           HB       ILE  24  -5.484  -4.808  -4.808
  184   1HG1  ILE  24           HG1      ILE  24  -3.576  -2.470  -2.470
  185   2HG1  ILE  24           HG1      ILE  24  -5.262  -2.401  -2.401
  186   1HG2  ILE  24           HG2      ILE  24  -2.667  -5.505  -5.505
  187   2HG2  ILE  24           HG2      ILE  24  -3.378  -4.707  -4.707
  188   3HG2  ILE  24           HG2      ILE  24  -4.127  -6.180  -6.180
  189   1HD1  ILE  24           HD1      ILE  24  -5.660  -3.667  -3.667
  190   2HD1  ILE  24           HD1      ILE  24  -4.069  -2.978  -2.978
  191   3HD1  ILE  24           HD1      ILE  24  -5.421  -1.904  -1.904
  192    H    ALA  25           HN       ALA  25  -6.455  -4.830  -4.830
  193    HA   ALA  25           HA       ALA  25  -6.471  -3.282  -3.282
  194   1HB   ALA  25           HB3      ALA  25  -8.092  -5.098  -5.098
  195   2HB   ALA  25           HB1      ALA  25  -8.827  -3.919  -3.919
  196   3HB   ALA  25           HB2      ALA  25  -8.856  -3.625  -3.625
  197    H    LYS  26           HN       LYS  26  -7.128  -2.507  -2.507
  198    HA   LYS  26           HA       LYS  26  -8.205   0.037   0.037
  199   1HB   LYS  26           HB2      LYS  26  -8.406  -1.304  -1.304
  200   2HB   LYS  26           HB3      LYS  26  -6.721  -0.970  -0.970
  201   1HG   LYS  26           HG2      LYS  26  -8.096   1.514   1.514
  202   2HG   LYS  26           HG3      LYS  26  -8.973   0.676   0.676
  203   1HD   LYS  26           HD2      LYS  26  -7.459   1.562   1.562
  204   2HD   LYS  26           HD3      LYS  26  -6.327   0.378   0.378
  205   1HE   LYS  26           HE2      LYS  26  -5.337   1.931   1.931
  206   2HE   LYS  26           HE3      LYS  26  -6.704   3.025   3.025
  207   1HZ   LYS  26           HZ1      LYS  26  -4.606   3.588   3.588
  208   2HZ   LYS  26           HZ2      LYS  26  -6.046   3.782   3.782
  209    H    ASN  27           HN       ASN  27  -4.992  -1.247  -1.247
  210    HA   ASN  27           HA       ASN  27  -3.956   1.476   1.476
  211   1HB   ASN  27           HB2      ASN  27  -2.968  -0.621  -0.621
  212   2HB   ASN  27           HB3      ASN  27  -2.134  -0.933  -0.933
  213   1HD2  ASN  27           HD2      ASN  27  -0.733   1.780   1.780
  214   2HD2  ASN  27           HD2      ASN  27  -1.887   0.532   0.532
  215    H    CYS  28           HN       CYS  28  -5.512   0.053   0.053
  216    HA   CYS  28           HA       CYS  28  -3.495  -0.569  -0.569
  217   1HB   CYS  28           HB2      CYS  28  -5.661  -1.879  -1.879
  218   2HB   CYS  28           HB3      CYS  28  -6.498  -0.500  -0.500
  219    H    ARG  29           HN       ARG  29  -5.122   0.475   0.475
  220    HA   ARG  29           HA       ARG  29  -5.902   2.998   2.998
  221   1HB   ARG  29           HB2      ARG  29  -2.977   2.875   2.875
  222   2HB   ARG  29           HB3      ARG  29  -3.404   3.887   3.887
  223   1HG   ARG  29           HG2      ARG  29  -5.101   4.288   4.288
  224   2HG   ARG  29           HG3      ARG  29  -3.417   4.725   4.725
  225   1HD   ARG  29           HD2      ARG  29  -4.481   6.718   6.718
  226   2HD   ARG  29           HD3      ARG  29  -3.613   6.080   6.080
  227    HE   ARG  29           HE       ARG  29  -6.068   4.892   4.892
  228   1HH1  ARG  29           HH2      ARG  29  -5.128   8.260   8.260
  229   2HH1  ARG  29           HH2      ARG  29  -6.506   8.914   8.914
  230    HH2  ARG  29           HH1      ARG  29  -8.114   7.421   7.421
  231    H    ALA  30           HN       ALA  30  -3.925   0.518   0.518
  232    HA   ALA  30           HA       ALA  30  -4.904   1.473   1.473
  233   1HB   ALA  30           HB2      ALA  30  -2.219   0.607   0.607
  234   2HB   ALA  30           HB3      ALA  30  -2.737  -0.057  -0.057
  235   3HB   ALA  30           HB1      ALA  30  -2.668   1.705   1.705
  236    HA   PRO  31           HA       PRO  31  -6.787  -2.524  -2.524
  237   1HB   PRO  31           HB2      PRO  31  -9.205  -1.938  -1.938
  238   2HB   PRO  31           HB3      PRO  31  -8.871  -1.734  -1.734
  239   1HG   PRO  31           HG2      PRO  31  -9.088   0.330   0.330
  240   2HG   PRO  31           HG3      PRO  31  -9.181   0.522   0.522
  241   1HD   PRO  31           HD2      PRO  31  -6.949   1.167   1.167
  242   2HD   PRO  31           HD3      PRO  31  -7.002   1.250   1.250
  243    H    ARG  32           HN       ARG  32  -8.082  -4.038  -4.038
  244    HA   ARG  32           HA       ARG  32  -6.284  -4.405  -4.405
  245   1HB   ARG  32           HB2      ARG  32  -7.828  -6.189  -6.189
  246   2HB   ARG  32           HB3      ARG  32  -7.676  -6.222  -6.222
  247   1HG   ARG  32           HG2      ARG  32  -9.849  -4.438  -4.438
  248   2HG   ARG  32           HG3      ARG  32 -10.077  -6.098  -6.098
  249   1HD   ARG  32           HD2      ARG  32  -9.310  -6.493  -6.493
  250   2HD   ARG  32           HD3      ARG  32 -10.113  -4.942  -4.942
  251    HE   ARG  32           HE       ARG  32 -12.159  -6.008  -6.008
  252   1HH1  ARG  32           HH2      ARG  32  -9.571  -8.110  -8.110
  253   2HH1  ARG  32           HH2      ARG  32 -10.637  -9.429  -9.429
  254    HH2  ARG  32           HH1      ARG  32 -12.981  -9.194  -9.194
  255    H    LYS  33           HN       LYS  33  -7.102  -4.644  -4.644
  256    HA   LYS  33           HA       LYS  33  -9.140  -2.722  -2.722
  257   1HB   LYS  33           HB2      LYS  33  -6.237  -2.173  -2.173
  258   2HB   LYS  33           HB3      LYS  33  -7.210  -1.837  -1.837
  259   1HG   LYS  33           HG2      LYS  33  -8.642  -0.875  -0.875
  260   2HG   LYS  33           HG3      LYS  33  -6.994  -0.287  -0.287
  261   1HD   LYS  33           HD2      LYS  33  -8.465  -0.093  -0.093
  262   2HD   LYS  33           HD3      LYS  33  -8.844   1.059   1.059
  263   1HE   LYS  33           HE2      LYS  33  -7.109   2.183   2.183
  264   2HE   LYS  33           HE3      LYS  33  -6.208   1.350   1.350
  265   1HZ   LYS  33           HZ1      LYS  33  -6.554   0.371   0.371
  266   2HZ   LYS  33           HZ2      LYS  33  -5.185   0.999   0.999
  267    H    LYS  34           HN       LYS  34  -9.350  -5.441  -5.441
  268    HA   LYS  34           HA       LYS  34  -9.933  -5.853  -5.853
  269   1HB   LYS  34           HB2      LYS  34  -8.125  -7.534  -7.534
  270   2HB   LYS  34           HB3      LYS  34  -7.676  -5.842  -5.842
  271   1HG   LYS  34           HG2      LYS  34  -7.102  -6.511  -6.511
  272   2HG   LYS  34           HG3      LYS  34  -6.686  -7.981  -7.981
  273   1HD   LYS  34           HD2      LYS  34  -5.445  -6.344  -6.344
  274   2HD   LYS  34           HD3      LYS  34  -5.534  -5.198  -5.198
  275   1HE   LYS  34           HE2      LYS  34  -3.409  -6.373  -6.373
  276   2HE   LYS  34           HE3      LYS  34  -4.421  -6.900  -6.900
  277   1HZ   LYS  34           HZ1      LYS  34  -3.304  -8.493  -8.493
  278   2HZ   LYS  34           HZ2      LYS  34  -4.223  -8.986  -8.986
  279    H    GLY  35           HN       GLY  35  -8.651  -7.372  -7.372
  280   1HA   GLY  35           HA1      GLY  35 -10.719  -8.565  -8.565
  281   2HA   GLY  35           HA2      GLY  35 -10.521  -9.606  -9.606
  282    H    CYS  36           HN       CYS  36  -9.779 -11.505 -11.505
  283    HA   CYS  36           HA       CYS  36  -7.946 -11.517 -11.517
  284   1HB   CYS  36           HB2      CYS  36  -9.564 -13.330 -13.330
  285   2HB   CYS  36           HB3      CYS  36  -8.605 -13.745 -13.745
  286    H    TRP  37           HN       TRP  37  -5.797 -10.978 -10.978
  287    HA   TRP  37           HA       TRP  37  -4.540 -10.991 -10.991
  288   1HB   TRP  37           HB2      TRP  37  -4.479  -9.129  -9.129
  289   2HB   TRP  37           HB3      TRP  37  -3.166 -10.104 -10.104
  290    HD1  TRP  37           HD1      TRP  37  -1.985 -10.897 -10.897
  291    HE1  TRP  37           HE1      TRP  37  -0.577  -9.137  -9.137
  292    HE3  TRP  37           HE3      TRP  37  -3.709  -6.802  -6.802
  293    HZ2  TRP  37           HZ2      TRP  37  -0.347  -6.295  -6.295
  294    HZ3  TRP  37           HZ3      TRP  37  -2.842  -4.572  -4.572
  295    HH2  TRP  37           HH2      TRP  37  -1.218  -4.281  -4.281
  296    H    LYS  38           HN       LYS  38  -5.318 -13.401 -13.401
  297    HA   LYS  38           HA       LYS  38  -2.622 -14.538 -14.538
  298   1HB   LYS  38           HB2      LYS  38  -4.162 -14.342 -14.342
  299   2HB   LYS  38           HB3      LYS  38  -5.118 -15.615 -15.615
  300   1HG   LYS  38           HG2      LYS  38  -3.613 -16.819 -16.819
  301   2HG   LYS  38           HG3      LYS  38  -2.865 -16.924 -16.924
  302   1HD   LYS  38           HD2      LYS  38  -1.094 -16.316 -16.316
  303   2HD   LYS  38           HD3      LYS  38  -1.490 -14.846 -14.846
  304   1HE   LYS  38           HE2      LYS  38  -3.209 -14.568 -14.568
  305   2HE   LYS  38           HE3      LYS  38  -1.986 -15.547 -15.547
  306   1HZ   LYS  38           HZ1      LYS  38  -1.802 -12.809 -12.809
  307   2HZ   LYS  38           HZ2      LYS  38  -0.929 -13.580 -13.580
  308    H    CYS  39           HN       CYS  39  -5.989 -15.123 -15.123
  309    HA   CYS  39           HA       CYS  39  -4.901 -17.308 -17.308
  310   1HB   CYS  39           HB2      CYS  39  -7.276 -18.013 -18.013
  311   2HB   CYS  39           HB3      CYS  39  -6.637 -18.124 -18.124
  312    H    GLY  40           HN       GLY  40  -6.260 -14.074 -14.074
  313   1HA   GLY  40           HA1      GLY  40  -6.140 -12.589 -12.589
  314   2HA   GLY  40           HA2      GLY  40  -6.008 -13.916 -13.916
  315    H    LYS  41           HN       LYS  41  -8.407 -14.979 -14.979
  316    HA   LYS  41           HA       LYS  41 -10.437 -14.208 -14.208
  317   1HB   LYS  41           HB2      LYS  41  -9.971 -16.352 -16.352
  318   2HB   LYS  41           HB3      LYS  41 -11.528 -15.631 -15.631
  319   1HG   LYS  41           HG2      LYS  41 -10.686 -16.366 -16.366
  320   2HG   LYS  41           HG3      LYS  41 -11.496 -17.504 -17.504
  321   1HD   LYS  41           HD2      LYS  41 -13.450 -16.622 -16.622
  322   2HD   LYS  41           HD3      LYS  41 -13.095 -15.228 -15.228
  323   1HE   LYS  41           HE2      LYS  41 -12.720 -13.910 -13.910
  324   2HE   LYS  41           HE3      LYS  41 -11.604 -15.069 -15.069
  325   1HZ   LYS  41           HZ1      LYS  41 -13.345 -16.162 -16.162
  326   2HZ   LYS  41           HZ2      LYS  41 -14.512 -15.566 -15.566
  327    H    GLU  42           HN       GLU  42 -12.100 -12.752 -12.752
  328    HA   GLU  42           HA       GLU  42 -11.790 -11.086 -11.086
  329   1HB   GLU  42           HB2      GLU  42 -12.943  -9.371  -9.371
  330   2HB   GLU  42           HB3      GLU  42 -11.771 -10.086 -10.086
  331   1HG   GLU  42           HG2      GLU  42 -13.587 -11.566 -11.566
  332   2HG   GLU  42           HG3      GLU  42 -14.747 -10.772 -10.772
  333    HE1  GLU  42           HE2      GLU  42 -14.412  -8.330  -8.330
  334    H    GLY  43           HN       GLY  43 -13.408 -10.823 -10.823
  335   1HA   GLY  43           HA1      GLY  43 -15.962 -10.963 -10.963
  336   2HA   GLY  43           HA2      GLY  43 -15.707 -12.648 -12.648
  337    H    HIS  44           HN       HIS  44 -13.259 -13.142 -13.142
  338    HA   HIS  44           HA       HIS  44 -14.264 -12.857 -12.857
  339   1HB   HIS  44           HB2      HIS  44 -13.308 -14.967 -14.967
  340   2HB   HIS  44           HB3      HIS  44 -14.241 -15.168 -15.168
  341    HD1  HIS  44           HD1      HIS  44 -13.075 -16.466 -16.466
  342    HD2  HIS  44           HD2      HIS  44 -10.372 -14.502 -14.502
  343    HE1  HIS  44           HE1      HIS  44 -10.742 -17.146 -17.146
  344    H    GLN  45           HN       GLN  45 -12.191 -13.290 -13.290
  345    HA   GLN  45           HA       GLN  45 -10.090 -11.545 -11.545
  346   1HB   GLN  45           HB2      GLN  45 -11.268 -11.536 -11.536
  347   2HB   GLN  45           HB3      GLN  45  -9.910 -10.562 -10.562
  348   1HG   GLN  45           HG2      GLN  45 -11.443  -9.577  -9.577
  349   2HG   GLN  45           HG3      GLN  45 -12.777 -10.409 -10.409
  350   1HE2  GLN  45           HE2      GLN  45 -12.786  -8.437  -8.437
  351   2HE2  GLN  45           HE2      GLN  45 -13.035 -10.037 -10.037
  352    H    MET  46           HN       MET  46  -8.101 -11.691 -11.691
  353    HA   MET  46           HA       MET  46  -7.139 -14.260 -14.260
  354   1HB   MET  46           HB2      MET  46  -6.131 -11.764 -11.764
  355   2HB   MET  46           HB3      MET  46  -6.037 -12.578 -12.578
  356   1HG   MET  46           HG2      MET  46  -5.055 -14.156 -14.156
  357   2HG   MET  46           HG3      MET  46  -4.093 -12.755 -12.755
  358   1HE   MET  46           HE2      MET  46  -2.731 -12.446 -12.446
  359   2HE   MET  46           HE3      MET  46  -2.571 -13.177 -13.177
  360   3HE   MET  46           HE1      MET  46  -1.764 -13.924 -13.924
  361    H    LYS  47           HN       LYS  47  -8.730 -12.596 -12.596
  362    HA   LYS  47           HA       LYS  47  -8.226 -14.654 -14.654
  363   1HB   LYS  47           HB2      LYS  47  -8.783 -12.256 -12.256
  364   2HB   LYS  47           HB3      LYS  47 -10.438 -12.583 -12.583
  365   1HG   LYS  47           HG2      LYS  47 -10.159 -14.637 -14.637
  366   2HG   LYS  47           HG3      LYS  47  -8.908 -13.611 -13.611
  367   1HD   LYS  47           HD2      LYS  47 -11.488 -12.231 -12.231
  368   2HD   LYS  47           HD3      LYS  47 -11.570 -13.432 -13.432
  369   1HE   LYS  47           HE2      LYS  47  -9.474 -11.212 -11.212
  370   2HE   LYS  47           HE3      LYS  47 -10.998 -11.067 -11.067
  371   1HZ   LYS  47           HZ1      LYS  47 -10.152 -12.274 -12.274
  372   2HZ   LYS  47           HZ2      LYS  47  -9.722 -13.505 -13.505
  373    H    ASP  48           HN       ASP  48 -10.345 -14.373 -14.373
  374    HA   ASP  48           HA       ASP  48 -11.869 -16.630 -16.630
  375   1HB   ASP  48           HB2      ASP  48 -12.792 -14.170 -14.170
  376   2HB   ASP  48           HB3      ASP  48 -12.996 -15.269 -15.269
  377    HD1  ASP  48           HD2      ASP  48 -14.550 -17.325 -17.325
  378    H    CYS  49           HN       CYS  49  -9.199 -16.184 -16.184
  379    HA   CYS  49           HA       CYS  49  -9.856 -17.273 -17.273
  380   1HB   CYS  49           HB2      CYS  49  -8.021 -15.687 -15.687
  381   2HB   CYS  49           HB3      CYS  49  -7.188 -16.712 -16.712
  382    H    THR  50           HN       THR  50 -10.476 -19.411 -19.411
  383    HA   THR  50           HA       THR  50  -9.358 -21.271 -21.271
  384    HB   THR  50           HB       THR  50 -11.865 -21.053 -21.053
  385    HG1  THR  50           HG1      THR  50 -10.284 -23.461 -23.461
  386   1HG2  THR  50           HG2      THR  50 -10.832 -21.653 -21.653
  387   2HG2  THR  50           HG2      THR  50 -12.045 -22.839 -22.839
  388   3HG2  THR  50           HG2      THR  50 -12.454 -21.107 -21.107
  389    H    GLU  51           HN       GLU  51  -8.131 -19.976 -19.976
  390    HA   GLU  51           HA       GLU  51  -7.689 -22.030 -22.030
  391   1HB   GLU  51           HB2      GLU  51  -6.015 -20.664 -20.664
  392   2HB   GLU  51           HB3      GLU  51  -7.067 -19.510 -19.510
  393   1HG   GLU  51           HG2      GLU  51  -4.959 -18.805 -18.805
  394   2HG   GLU  51           HG3      GLU  51  -5.467 -19.837 -19.837
  395    HE2  GLU  51           HE2      GLU  51  -2.271 -20.158 -20.158
  396    H    ARG  52           HN       ARG  52  -6.510 -21.581 -21.581
  397    HA   ARG  52           HA       ARG  52  -4.094 -22.744 -22.744
  398   1HB   ARG  52           HB2      ARG  52  -4.726 -23.610 -23.610
  399   2HB   ARG  52           HB3      ARG  52  -4.986 -21.897 -21.897
  400   1HG   ARG  52           HG2      ARG  52  -7.338 -22.135 -22.135
  401   2HG   ARG  52           HG3      ARG  52  -7.243 -23.833 -23.833
  402   1HD   ARG  52           HD2      ARG  52  -7.886 -24.018 -24.018
  403   2HD   ARG  52           HD3      ARG  52  -6.144 -24.065 -24.065
  404    HE   ARG  52           HE       ARG  52  -7.932 -21.822 -21.822
  405   1HH1  ARG  52           HH2      ARG  52  -4.589 -22.897 -22.897
  406   2HH1  ARG  52           HH2      ARG  52  -3.910 -21.606 -21.606
  407    HH2  ARG  52           HH1      ARG  52  -5.368 -19.984 -19.984
  408    H    GLN  53           HN       GLN  53  -7.289 -24.262 -24.262
  409    HA   GLN  53           HA       GLN  53  -6.142 -26.545 -26.545
  410   1HB   GLN  53           HB2      GLN  53  -6.689 -26.634 -26.634
  411   2HB   GLN  53           HB3      GLN  53  -7.495 -27.916 -27.916
  412   1HG   GLN  53           HG2      GLN  53  -5.085 -28.122 -28.122
  413   2HG   GLN  53           HG3      GLN  53  -4.543 -27.378 -27.378
  414   1HE2  GLN  53           HE2      GLN  53  -4.680 -31.196 -31.196
  415   2HE2  GLN  53           HE2      GLN  53  -4.135 -30.072 -30.072
  416    H    ALA  54           HN       ALA  54  -9.048 -25.734 -25.734
  417    HA   ALA  54           HA       ALA  54 -10.761 -25.358 -25.358
  418   1HB   ALA  54           HB2      ALA  54 -10.280 -28.170 -28.170
  419   2HB   ALA  54           HB3      ALA  54 -11.999 -27.706 -27.706
  420   3HB   ALA  54           HB1      ALA  54 -11.008 -27.495 -27.495
  421    H    ASN  55           HN       ASN  55 -13.116 -25.321 -25.321
  422    HA   ASN  55           HA       ASN  55 -13.192 -23.894 -23.894
  423   1HB   ASN  55           HB2      ASN  55 -15.722 -24.207 -24.207
  424   2HB   ASN  55           HB3      ASN  55 -14.940 -23.590 -23.590
  425   1HD2  ASN  55           HD2      ASN  55 -16.028 -26.127 -26.127
  426   2HD2  ASN  55           HD2      ASN  55 -15.422 -24.521 -24.521

  Start of MODEL   26
    1    H    MET   1           HN       MET   1   1.884   0.000   0.000
    2    HA   MET   1           HA       MET   1   2.974  -0.580  -0.580
    3   1HB   MET   1           HB2      MET   1   0.593  -1.416  -1.416
    4   2HB   MET   1           HB3      MET   1   0.570   0.105   0.105
    5   1HG   MET   1           HG2      MET   1   1.585  -1.268  -1.268
    6   2HG   MET   1           HG3      MET   1   3.005  -0.632  -0.632
    7   1HE   MET   1           HE1      MET   1   2.141  -3.002  -3.002
    8   2HE   MET   1           HE2      MET   1   3.343  -4.219  -4.219
    9   3HE   MET   1           HE3      MET   1   1.618  -4.480  -4.480
   10    H    GLN   2           HN       GLN   2   0.489   2.029   2.029
   11    HA   GLN   2           HA       GLN   2   2.022   3.626   3.626
   12   1HB   GLN   2           HB2      GLN   2  -0.454   3.855   3.855
   13   2HB   GLN   2           HB3      GLN   2   0.045   4.625   4.625
   14   1HG   GLN   2           HG2      GLN   2   1.525   5.947   5.947
   15   2HG   GLN   2           HG3      GLN   2  -0.080   5.745   5.745
   16   1HE2  GLN   2           HE2      GLN   2   1.822   7.087   7.087
   17   2HE2  GLN   2           HE2      GLN   2   0.658   8.219   8.219
   18    H    LYS   3           HN       LYS   3   1.529   3.973   3.973
   19    HA   LYS   3           HA       LYS   3   3.581   5.899   5.899
   20   1HB   LYS   3           HB2      LYS   3   1.498   5.306   5.306
   21   2HB   LYS   3           HB3      LYS   3   2.640   4.244   4.244
   22   1HG   LYS   3           HG2      LYS   3   4.144   6.089   6.089
   23   2HG   LYS   3           HG3      LYS   3   3.255   7.180   7.180
   24   1HD   LYS   3           HD2      LYS   3   1.321   6.173   6.173
   25   2HD   LYS   3           HD3      LYS   3   2.745   6.473   6.473
   26   1HE   LYS   3           HE2      LYS   3   1.685   8.573   8.573
   27   2HE   LYS   3           HE3      LYS   3   2.848   8.786   8.786
   28   1HZ   LYS   3           HZ1      LYS   3   0.967   8.043   8.043
   29   2HZ   LYS   3           HZ2      LYS   3  -0.050   8.250   8.250
   30    H    GLY   4           HN       GLY   4   5.688   5.684   5.684
   31   1HA   GLY   4           HA1      GLY   4   7.348   3.822   3.822
   32   2HA   GLY   4           HA2      GLY   4   7.609   4.614   4.614
   33    H    ASN   5           HN       ASN   5   6.469   3.617   3.617
   34    HA   ASN   5           HA       ASN   5   5.451   1.051   1.051
   35   1HB   ASN   5           HB2      ASN   5   8.420   1.265   1.265
   36   2HB   ASN   5           HB3      ASN   5   7.709   0.257   0.257
   37   1HD2  ASN   5           HD2      ASN   5   6.491  -2.279  -2.279
   38   2HD2  ASN   5           HD2      ASN   5   6.258  -1.457  -1.457
   39    H    PHE   6           HN       PHE   6   4.108   1.262   1.262
   40    HA   PHE   6           HA       PHE   6   5.219   1.704   1.704
   41   1HB   PHE   6           HB2      PHE   6   4.707   4.008   4.008
   42   2HB   PHE   6           HB3      PHE   6   3.152   3.774   3.774
   43    HD1  PHE   6           HD1      PHE   6   6.650   3.289   3.289
   44    HD2  PHE   6           HD2      PHE   6   2.940   5.286   5.286
   45    HE1  PHE   6           HE1      PHE   6   7.522   4.383   4.383
   46    HE2  PHE   6           HE2      PHE   6   3.812   6.381   6.381
   47   1HZ   PHE   6           HZ       PHE   6   6.092   5.917   5.917
   48    H    ARG   7           HN       ARG   7   3.358   1.877   1.877
   49    HA   ARG   7           HA       ARG   7   1.777  -0.269  -0.269
   50   1HB   ARG   7           HB2      ARG   7   2.189   1.705   1.705
   51   2HB   ARG   7           HB3      ARG   7   0.516   2.007   2.007
   52   1HG   ARG   7           HG2      ARG   7   1.105  -0.873  -0.873
   53   2HG   ARG   7           HG3      ARG   7   1.420   0.065   0.065
   54   1HD   ARG   7           HD2      ARG   7  -1.061   1.035   1.035
   55   2HD   ARG   7           HD3      ARG   7  -1.143  -0.713  -0.713
   56    HE   ARG   7           HE       ARG   7  -0.180  -0.408  -0.408
   57   1HH1  ARG   7           HH2      ARG   7  -2.840   1.250   1.250
   58   2HH1  ARG   7           HH2      ARG   7  -3.734   1.532   1.532
   59    HH2  ARG   7           HH1      ARG   7  -2.843   0.768   0.768
   60    H    ASN   8           HN       ASN   8   0.990   3.145   3.145
   61    HA   ASN   8           HA       ASN   8  -0.474   3.977   3.977
   62   1HB   ASN   8           HB2      ASN   8  -0.252   1.230   1.230
   63   2HB   ASN   8           HB3      ASN   8  -1.916   1.755   1.755
   64   1HD2  ASN   8           HD2      ASN   8  -1.286   4.376   4.376
   65   2HD2  ASN   8           HD2      ASN   8  -2.294   3.874   3.874
   66    H    GLN   9           HN       GLN   9  -2.060   4.900   4.900
   67    HA   GLN   9           HA       GLN   9  -3.520   3.762   3.762
   68   1HB   GLN   9           HB2      GLN   9  -5.366   5.527   5.527
   69   2HB   GLN   9           HB3      GLN   9  -3.837   6.052   6.052
   70   1HG   GLN   9           HG2      GLN   9  -3.831   5.576   5.576
   71   2HG   GLN   9           HG3      GLN   9  -4.821   6.918   6.918
   72   1HE2  GLN   9           HE2      GLN   9  -0.935   7.444   7.444
   73   2HE2  GLN   9           HE2      GLN   9  -1.952   6.249   6.249
   74    H    ARG  10           HN       ARG  10  -4.082   3.514   3.514
   75    HA   ARG  10           HA       ARG  10  -5.380   2.265   2.265
   76   1HB   ARG  10           HB2      ARG  10  -5.430   0.712   0.712
   77   2HB   ARG  10           HB3      ARG  10  -6.506   0.212   0.212
   78   1HG   ARG  10           HG2      ARG  10  -4.079   0.598   0.598
   79   2HG   ARG  10           HG3      ARG  10  -3.568  -0.057  -0.057
   80   1HD   ARG  10           HD2      ARG  10  -5.915  -1.441  -1.441
   81   2HD   ARG  10           HD3      ARG  10  -4.425  -1.587  -1.587
   82    HE   ARG  10           HE       ARG  10  -3.447  -2.813  -2.813
   83   1HH1  ARG  10           HH2      ARG  10  -6.628  -1.572  -1.572
   84   2HH1  ARG  10           HH2      ARG  10  -6.730  -2.562  -2.562
   85    HH2  ARG  10           HH1      ARG  10  -4.927  -4.051  -4.051
   86    H    LYS  11           HN       LYS  11  -7.503   2.503   2.503
   87    HA   LYS  11           HA       LYS  11  -9.668   2.971   2.971
   88   1HB   LYS  11           HB2      LYS  11  -9.932   2.915   2.915
   89   2HB   LYS  11           HB3      LYS  11 -11.068   2.403   2.403
   90   1HG   LYS  11           HG2      LYS  11  -8.983   0.697   0.697
   91   2HG   LYS  11           HG3      LYS  11  -8.760   0.920   0.920
   92   1HD   LYS  11           HD2      LYS  11 -11.595   0.520   0.520
   93   2HD   LYS  11           HD3      LYS  11 -10.624  -0.798  -0.798
   94   1HE   LYS  11           HE2      LYS  11 -10.120   0.157   0.157
   95   2HE   LYS  11           HE3      LYS  11 -11.525  -0.843  -0.843
   96   1HZ   LYS  11           HZ1      LYS  11  -9.098  -1.854  -1.854
   97   2HZ   LYS  11           HZ2      LYS  11 -10.217  -2.646  -2.646
   98    H    THR  12           HN       THR  12 -10.377   4.967   4.967
   99    HA   THR  12           HA       THR  12  -9.070   7.243   7.243
  100    HB   THR  12           HB       THR  12 -11.308   6.888   6.888
  101    HG1  THR  12           HG1      THR  12  -9.400   6.220   6.220
  102   1HG2  THR  12           HG2      THR  12 -10.103   9.299   9.299
  103   2HG2  THR  12           HG2      THR  12  -9.900   9.248   9.248
  104   3HG2  THR  12           HG2      THR  12 -11.530   9.169   9.169
  105    H    VAL  13           HN       VAL  13 -12.539   7.413   7.413
  106    HA   VAL  13           HA       VAL  13 -13.215   7.304   7.304
  107    HB   VAL  13           HB       VAL  13 -14.024   9.621   9.621
  108   1HG1  VAL  13           HG1      VAL  13 -11.759   8.920   8.920
  109   2HG1  VAL  13           HG1      VAL  13 -11.062   9.558   9.558
  110   3HG1  VAL  13           HG1      VAL  13 -11.913  10.650  10.650
  111   1HG2  VAL  13           HG2      VAL  13 -14.255   9.970   9.970
  112   2HG2  VAL  13           HG2      VAL  13 -13.368  11.280  11.280
  113   3HG2  VAL  13           HG2      VAL  13 -12.482  10.056  10.056
  114    H    LYS  14           HN       LYS  14 -15.685   8.623   8.623
  115    HA   LYS  14           HA       LYS  14 -17.066   6.855   6.855
  116   1HB   LYS  14           HB2      LYS  14 -19.027   7.285   7.285
  117   2HB   LYS  14           HB3      LYS  14 -17.687   6.790   6.790
  118   1HG   LYS  14           HG2      LYS  14 -17.216   9.183   9.183
  119   2HG   LYS  14           HG3      LYS  14 -18.547   9.685   9.685
  120   1HD   LYS  14           HD2      LYS  14 -20.166   8.982   8.982
  121   2HD   LYS  14           HD3      LYS  14 -19.209   7.630   7.630
  122   1HE   LYS  14           HE2      LYS  14 -18.133  10.360  10.360
  123   2HE   LYS  14           HE3      LYS  14 -19.607   9.906   9.906
  124   1HZ   LYS  14           HZ1      LYS  14 -18.527   8.247   8.247
  125   2HZ   LYS  14           HZ2      LYS  14 -17.464   7.916   7.916
  126    H    CYS  15           HN       CYS  15 -18.056   7.551   7.551
  127    HA   CYS  15           HA       CYS  15 -17.715  10.314  10.314
  128   1HB   CYS  15           HB2      CYS  15 -17.258   8.624   8.624
  129   2HB   CYS  15           HB3      CYS  15 -18.878   7.973   7.973
  130    H    PHE  16           HN       PHE  16 -19.203  11.831  11.831
  131    HA   PHE  16           HA       PHE  16 -21.806  10.965  10.965
  132   1HB   PHE  16           HB2      PHE  16 -20.548  13.750  13.750
  133   2HB   PHE  16           HB3      PHE  16 -21.963  13.398  13.398
  134    HD1  PHE  16           HD1      PHE  16 -21.687  11.951  11.951
  135    HD2  PHE  16           HD2      PHE  16 -18.380  13.547  13.547
  136    HE1  PHE  16           HE1      PHE  16 -20.220  11.580  11.580
  137    HE2  PHE  16           HE2      PHE  16 -16.913  13.176  13.176
  138   1HZ   PHE  16           HZ       PHE  16 -17.850  12.197  12.197
  139    H    ASN  17           HN       ASN  17 -20.645  11.199  11.199
  140    HA   ASN  17           HA       ASN  17 -22.739  12.893  12.893
  141   1HB   ASN  17           HB2      ASN  17 -20.238  12.785  12.785
  142   2HB   ASN  17           HB3      ASN  17 -20.723  11.311  11.311
  143   1HD2  ASN  17           HD2      ASN  17 -22.190  12.875  12.875
  144   2HD2  ASN  17           HD2      ASN  17 -21.529  11.463  11.463
  145    H    CYS  18           HN       CYS  18 -21.351   9.549   9.549
  146    HA   CYS  18           HA       CYS  18 -23.889   8.723   8.723
  147   1HB   CYS  18           HB2      CYS  18 -22.638   6.633   6.633
  148   2HB   CYS  18           HB3      CYS  18 -22.071   8.093   8.093
  149    H    GLY  19           HN       GLY  19 -21.704   8.353   8.353
  150   1HA   GLY  19           HA1      GLY  19 -22.567   7.807   7.807
  151   2HA   GLY  19           HA2      GLY  19 -23.814   6.830   6.830
  152    H    LYS  20           HN       LYS  20 -20.970   6.283   6.283
  153    HA   LYS  20           HA       LYS  20 -20.574   3.775   3.775
  154   1HB   LYS  20           HB2      LYS  20 -20.615   4.554   4.554
  155   2HB   LYS  20           HB3      LYS  20 -18.979   4.037   4.037
  156   1HG   LYS  20           HG2      LYS  20 -19.629   1.855   1.855
  157   2HG   LYS  20           HG3      LYS  20 -21.233   2.343   2.343
  158   1HD   LYS  20           HD2      LYS  20 -21.726   2.892   2.892
  159   2HD   LYS  20           HD3      LYS  20 -20.205   2.119   2.119
  160   1HE   LYS  20           HE2      LYS  20 -21.718   0.335   0.335
  161   2HE   LYS  20           HE3      LYS  20 -21.135   0.084   0.084
  162   1HZ   LYS  20           HZ1      LYS  20 -23.666   0.110   0.110
  163   2HZ   LYS  20           HZ2      LYS  20 -23.111   0.934   0.934
  164    H    GLU  21           HN       GLU  21 -18.401   3.026   3.026
  165    HA   GLU  21           HA       GLU  21 -16.780   5.300   5.300
  166   1HB   GLU  21           HB2      GLU  21 -15.952   3.977   3.977
  167   2HB   GLU  21           HB3      GLU  21 -17.631   3.487   3.487
  168   1HG   GLU  21           HG2      GLU  21 -16.940   1.533   1.533
  169   2HG   GLU  21           HG3      GLU  21 -15.264   2.013   2.013
  170    HE2  GLU  21           HE2      GLU  21 -15.712  -0.490  -0.490
  171    H    GLY  22           HN       GLY  22 -14.474   5.341   5.341
  172   1HA   GLY  22           HA1      GLY  22 -12.564   4.093   4.093
  173   2HA   GLY  22           HA2      GLY  22 -13.620   3.479   3.479
  174    H    HIS  23           HN       HIS  23 -14.476   6.704   6.704
  175    HA   HIS  23           HA       HIS  23 -12.543   8.143   8.143
  176   1HB   HIS  23           HB2      HIS  23 -13.499   8.532   8.532
  177   2HB   HIS  23           HB3      HIS  23 -13.396   6.796   6.796
  178    HD1  HIS  23           HD1      HIS  23 -15.678   5.492   5.492
  179    HD2  HIS  23           HD2      HIS  23 -16.082   9.558   9.558
  180    HE1  HIS  23           HE1      HIS  23 -18.125   5.839   5.839
  181    H    ILE  24           HN       ILE  24 -13.514  10.424  10.424
  182    HA   ILE  24           HA       ILE  24 -15.522  11.038  11.038
  183    HB   ILE  24           HB       ILE  24 -14.491  13.303  13.303
  184   1HG1  ILE  24           HG1      ILE  24 -12.178  12.042  12.042
  185   2HG1  ILE  24           HG1      ILE  24 -13.417  12.980  12.980
  186   1HG2  ILE  24           HG2      ILE  24 -13.124  10.815  10.815
  187   2HG2  ILE  24           HG2      ILE  24 -12.267  12.366  12.366
  188   3HG2  ILE  24           HG2      ILE  24 -13.859  12.140  12.140
  189   1HD1  ILE  24           HD1      ILE  24 -11.925  14.077  14.077
  190   2HD1  ILE  24           HD1      ILE  24 -11.298  14.250  14.250
  191   3HD1  ILE  24           HD1      ILE  24 -12.862  14.976  14.976
  192    H    ALA  25           HN       ALA  25 -16.854  13.063  13.063
  193    HA   ALA  25           HA       ALA  25 -18.256  12.576  12.576
  194   1HB   ALA  25           HB1      ALA  25 -18.089  15.062  15.062
  195   2HB   ALA  25           HB2      ALA  25 -19.347  14.754  14.754
  196   3HB   ALA  25           HB3      ALA  25 -19.211  13.695  13.695
  197    H    LYS  26           HN       LYS  26 -15.555  14.823  14.823
  198    HA   LYS  26           HA       LYS  26 -15.683  16.239  16.239
  199   1HB   LYS  26           HB2      LYS  26 -14.506  16.850  16.850
  200   2HB   LYS  26           HB3      LYS  26 -13.201  15.807  15.807
  201   1HG   LYS  26           HG2      LYS  26 -12.436  17.740  17.740
  202   2HG   LYS  26           HG3      LYS  26 -13.511  17.246  17.246
  203   1HD   LYS  26           HD2      LYS  26 -14.997  18.708  18.708
  204   2HD   LYS  26           HD3      LYS  26 -13.628  19.654  19.654
  205   1HE   LYS  26           HE2      LYS  26 -15.689  18.359  18.359
  206   2HE   LYS  26           HE3      LYS  26 -15.708  20.044  20.044
  207   1HZ   LYS  26           HZ1      LYS  26 -14.235  20.461  20.461
  208   2HZ   LYS  26           HZ2      LYS  26 -13.141  19.442  19.442
  209    H    ASN  27           HN       ASN  27 -14.697  13.003  13.003
  210    HA   ASN  27           HA       ASN  27 -13.311  12.865  12.865
  211   1HB   ASN  27           HB2      ASN  27 -12.484  11.994  11.994
  212   2HB   ASN  27           HB3      ASN  27 -13.008  10.519  10.519
  213   1HD2  ASN  27           HD2      ASN  27  -9.701  12.628  12.628
  214   2HD2  ASN  27           HD2      ASN  27 -10.864  13.287  13.287
  215    H    CYS  28           HN       CYS  28 -16.278  12.783  12.783
  216    HA   CYS  28           HA       CYS  28 -17.007  10.019  10.019
  217   1HB   CYS  28           HB2      CYS  28 -18.354  11.793  11.793
  218   2HB   CYS  28           HB3      CYS  28 -18.801  12.438  12.438
  219    H    ARG  29           HN       ARG  29 -16.858   8.932   8.932
  220    HA   ARG  29           HA       ARG  29 -16.512  10.426  10.426
  221   1HB   ARG  29           HB2      ARG  29 -15.289   8.291   8.291
  222   2HB   ARG  29           HB3      ARG  29 -16.806   7.415   7.415
  223   1HG   ARG  29           HG2      ARG  29 -17.209   7.734   7.734
  224   2HG   ARG  29           HG3      ARG  29 -16.081   9.071   9.071
  225   1HD   ARG  29           HD2      ARG  29 -14.231   7.347   7.347
  226   2HD   ARG  29           HD3      ARG  29 -15.429   6.110   6.110
  227    HE   ARG  29           HE       ARG  29 -15.121   6.482   6.482
  228   1HH1  ARG  29           HH2      ARG  29 -14.090   9.389   9.389
  229   2HH1  ARG  29           HH2      ARG  29 -13.519  10.192  10.192
  230    HH2  ARG  29           HH1      ARG  29 -13.692   9.085   9.085
  231    H    ALA  30           HN       ALA  30 -19.214   9.819   9.819
  232    HA   ALA  30           HA       ALA  30 -20.980   8.748   8.748
  233   1HB   ALA  30           HB2      ALA  30 -21.103   8.867   8.867
  234   2HB   ALA  30           HB3      ALA  30 -21.853  10.453  10.453
  235   3HB   ALA  30           HB1      ALA  30 -22.595   8.976   8.976
  236    HA   PRO  31           HA       PRO  31 -21.913  12.355  12.355
  237   1HB   PRO  31           HB2      PRO  31 -24.444  11.835  11.835
  238   2HB   PRO  31           HB3      PRO  31 -23.007  11.170  11.170
  239   1HG   PRO  31           HG2      PRO  31 -24.974   9.826   9.826
  240   2HG   PRO  31           HG3      PRO  31 -23.799   9.108   9.108
  241   1HD   PRO  31           HD2      PRO  31 -23.610   9.289   9.289
  242   2HD   PRO  31           HD3      PRO  31 -22.386   8.677   8.677
  243    H    ARG  32           HN       ARG  32 -23.782  14.076  14.076
  244    HA   ARG  32           HA       ARG  32 -24.104  15.160  15.160
  245   1HB   ARG  32           HB2      ARG  32 -25.209  17.049  17.049
  246   2HB   ARG  32           HB3      ARG  32 -23.682  16.612  16.612
  247   1HG   ARG  32           HG2      ARG  32 -25.687  14.965  14.965
  248   2HG   ARG  32           HG3      ARG  32 -26.338  16.591  16.591
  249   1HD   ARG  32           HD2      ARG  32 -24.554  17.488  17.488
  250   2HD   ARG  32           HD3      ARG  32 -23.486  16.146  16.146
  251    HE   ARG  32           HE       ARG  32 -25.867  15.263  15.263
  252   1HH1  ARG  32           HH2      ARG  32 -22.684  16.748  16.748
  253   2HH1  ARG  32           HH2      ARG  32 -22.538  16.218  16.218
  254    HH2  ARG  32           HH1      ARG  32 -24.308  14.934  14.934
  255    H    LYS  33           HN       LYS  33 -25.394  12.927  12.927
  256    HA   LYS  33           HA       LYS  33 -28.031  12.727  12.727
  257   1HB   LYS  33           HB2      LYS  33 -26.479  10.975  10.975
  258   2HB   LYS  33           HB3      LYS  33 -27.068  11.632  11.632
  259   1HG   LYS  33           HG2      LYS  33 -29.455  11.287  11.287
  260   2HG   LYS  33           HG3      LYS  33 -28.721  10.371  10.371
  261   1HD   LYS  33           HD2      LYS  33 -28.699   8.543   8.543
  262   2HD   LYS  33           HD3      LYS  33 -27.552   9.352   9.352
  263   1HE   LYS  33           HE2      LYS  33 -30.518   9.950   9.950
  264   2HE   LYS  33           HE3      LYS  33 -29.848   8.514   8.514
  265   1HZ   LYS  33           HZ1      LYS  33 -29.209   9.853   9.853
  266   2HZ   LYS  33           HZ2      LYS  33 -28.134  10.577  10.577
  267    H    LYS  34           HN       LYS  34 -29.897  13.735  13.735
  268    HA   LYS  34           HA       LYS  34 -30.152  14.920  14.920
  269   1HB   LYS  34           HB2      LYS  34 -29.530  16.601  16.601
  270   2HB   LYS  34           HB3      LYS  34 -30.749  17.191  17.191
  271   1HG   LYS  34           HG2      LYS  34 -28.639  16.231  16.231
  272   2HG   LYS  34           HG3      LYS  34 -27.847  17.084  17.084
  273   1HD   LYS  34           HD2      LYS  34 -28.922  19.139  19.139
  274   2HD   LYS  34           HD3      LYS  34 -30.226  18.359  18.359
  275   1HE   LYS  34           HE2      LYS  34 -28.675  17.745  17.745
  276   2HE   LYS  34           HE3      LYS  34 -27.320  18.413  18.413
  277   1HZ   LYS  34           HZ1      LYS  34 -28.572  20.592  20.592
  278   2HZ   LYS  34           HZ2      LYS  34 -29.622  19.920  19.920
  279    H    GLY  35           HN       GLY  35 -31.579  15.620  15.620
  280   1HA   GLY  35           HA1      GLY  35 -33.928  14.042  14.042
  281   2HA   GLY  35           HA2      GLY  35 -34.177  15.776  15.776
  282    H    CYS  36           HN       CYS  36 -35.350  13.792  13.792
  283    HA   CYS  36           HA       CYS  36 -34.012  13.553  13.553
  284   1HB   CYS  36           HB2      CYS  36 -36.111  12.384  12.384
  285   2HB   CYS  36           HB3      CYS  36 -36.997  13.863  13.863
  286    H    TRP  37           HN       TRP  37 -33.206  15.167  15.167
  287    HA   TRP  37           HA       TRP  37 -34.368  17.820  17.820
  288   1HB   TRP  37           HB2      TRP  37 -31.780  16.878  16.878
  289   2HB   TRP  37           HB3      TRP  37 -32.144  17.457  17.457
  290    HD1  TRP  37           HD1      TRP  37 -32.038  20.077  20.077
  291    HE1  TRP  37           HE1      TRP  37 -31.634  22.217  22.217
  292    HE3  TRP  37           HE3      TRP  37 -32.322  17.663  17.663
  293    HZ2  TRP  37           HZ2      TRP  37 -31.482  22.650  22.650
  294    HZ3  TRP  37           HZ3      TRP  37 -32.034  19.018  19.018
  295    HH2  TRP  37           HH2      TRP  37 -31.627  21.428  21.428
  296    H    LYS  38           HN       LYS  38 -35.488  15.211  15.211
  297    HA   LYS  38           HA       LYS  38 -35.783  16.374  16.374
  298   1HB   LYS  38           HB2      LYS  38 -34.890  13.983  13.983
  299   2HB   LYS  38           HB3      LYS  38 -36.541  13.566  13.566
  300   1HG   LYS  38           HG2      LYS  38 -36.288  15.162  15.162
  301   2HG   LYS  38           HG3      LYS  38 -35.510  13.594  13.594
  302   1HD   LYS  38           HD2      LYS  38 -38.056  13.214  13.214
  303   2HD   LYS  38           HD3      LYS  38 -38.336  14.210  14.210
  304   1HE   LYS  38           HE2      LYS  38 -36.701  12.398  12.398
  305   2HE   LYS  38           HE3      LYS  38 -37.279  11.391  11.391
  306   1HZ   LYS  38           HZ1      LYS  38 -38.961  11.043  11.043
  307   2HZ   LYS  38           HZ2      LYS  38 -39.586  12.402  12.402
  308    H    CYS  39           HN       CYS  39 -37.572  15.031  15.031
  309    HA   CYS  39           HA       CYS  39 -39.996  16.190  16.190
  310   1HB   CYS  39           HB2      CYS  39 -41.187  14.742  14.742
  311   2HB   CYS  39           HB3      CYS  39 -40.357  13.900  13.900
  312    H    GLY  40           HN       GLY  40 -37.615  16.252  16.252
  313   1HA   GLY  40           HA1      GLY  40 -37.257  18.132  18.132
  314   2HA   GLY  40           HA2      GLY  40 -38.922  18.630  18.630
  315    H    LYS  41           HN       LYS  41 -38.522  15.223  15.223
  316    HA   LYS  41           HA       LYS  41 -39.909  15.474  15.474
  317   1HB   LYS  41           HB2      LYS  41 -38.938  13.235  13.235
  318   2HB   LYS  41           HB3      LYS  41 -39.323  12.882  12.882
  319   1HG   LYS  41           HG2      LYS  41 -41.356  14.585  14.585
  320   2HG   LYS  41           HG3      LYS  41 -41.163  13.022  13.022
  321   1HD   LYS  41           HD2      LYS  41 -41.172  12.299  12.299
  322   2HD   LYS  41           HD3      LYS  41 -42.244  13.684  13.684
  323   1HE   LYS  41           HE2      LYS  41 -42.543  11.347  11.347
  324   2HE   LYS  41           HE3      LYS  41 -43.407  11.463  11.463
  325   1HZ   LYS  41           HZ1      LYS  41 -43.640  13.846  13.846
  326   2HZ   LYS  41           HZ2      LYS  41 -44.256  12.536  12.536
  327    H    GLU  42           HN       GLU  42 -39.079  15.731  15.731
  328    HA   GLU  42           HA       GLU  42 -36.229  15.754  15.754
  329   1HB   GLU  42           HB2      GLU  42 -36.636  16.694  16.694
  330   2HB   GLU  42           HB3      GLU  42 -37.619  17.527  17.527
  331   1HG   GLU  42           HG2      GLU  42 -39.412  15.635  15.635
  332   2HG   GLU  42           HG3      GLU  42 -38.469  15.582  15.582
  333    HE2  GLU  42           HE2      GLU  42 -41.130  18.193  18.193
  334    H    GLY  43           HN       GLY  43 -36.652  13.217  13.217
  335   1HA   GLY  43           HA1      GLY  43 -36.063  11.792  11.792
  336   2HA   GLY  43           HA2      GLY  43 -37.537  11.302  11.302
  337    H    HIS  44           HN       HIS  44 -37.362  10.730  10.730
  338    HA   HIS  44           HA       HIS  44 -35.107   9.000   9.000
  339   1HB   HIS  44           HB2      HIS  44 -36.265   8.091   8.091
  340   2HB   HIS  44           HB3      HIS  44 -37.474   8.428   8.428
  341    HD1  HIS  44           HD1      HIS  44 -39.369  10.019  10.019
  342    HD2  HIS  44           HD2      HIS  44 -36.291   9.957   9.957
  343    HE1  HIS  44           HE1      HIS  44 -40.229  11.335  11.335
  344    H    GLN  45           HN       GLN  45 -33.937   8.957   8.957
  345    HA   GLN  45           HA       GLN  45 -33.370  11.728  11.728
  346   1HB   GLN  45           HB2      GLN  45 -31.048  10.642  10.642
  347   2HB   GLN  45           HB3      GLN  45 -31.371  11.087  11.087
  348   1HG   GLN  45           HG2      GLN  45 -32.059   8.752   8.752
  349   2HG   GLN  45           HG3      GLN  45 -31.812   8.293   8.293
  350   1HE2  GLN  45           HE2      GLN  45 -28.263   8.332   8.332
  351   2HE2  GLN  45           HE2      GLN  45 -29.662   8.567   8.567
  352    H    MET  46           HN       MET  46 -32.025  11.624  11.624
  353    HA   MET  46           HA       MET  46 -33.912  10.943  10.943
  354   1HB   MET  46           HB2      MET  46 -31.167  11.971  11.971
  355   2HB   MET  46           HB3      MET  46 -31.327  10.876  10.876
  356   1HG   MET  46           HG2      MET  46 -33.255  12.151  12.151
  357   2HG   MET  46           HG3      MET  46 -33.258  13.181  13.181
  358   1HE   MET  46           HE3      MET  46 -32.332  12.629  12.629
  359   2HE   MET  46           HE1      MET  46 -30.923  13.642  13.642
  360   3HE   MET  46           HE2      MET  46 -30.690  12.048  12.048
  361    H    LYS  47           HN       LYS  47 -31.018   9.127   9.127
  362    HA   LYS  47           HA       LYS  47 -31.258   7.060   7.060
  363   1HB   LYS  47           HB2      LYS  47 -29.233   7.778   7.778
  364   2HB   LYS  47           HB3      LYS  47 -29.946   6.801   6.801
  365   1HG   LYS  47           HG2      LYS  47 -29.755   4.787   4.787
  366   2HG   LYS  47           HG3      LYS  47 -29.579   5.644   5.644
  367   1HD   LYS  47           HD2      LYS  47 -27.348   5.174   5.174
  368   2HD   LYS  47           HD3      LYS  47 -27.402   6.643   6.643
  369   1HE   LYS  47           HE2      LYS  47 -28.082   5.046   5.046
  370   2HE   LYS  47           HE3      LYS  47 -27.455   3.766   3.766
  371   1HZ   LYS  47           HZ1      LYS  47 -25.338   5.009   5.009
  372   2HZ   LYS  47           HZ2      LYS  47 -25.924   6.160   6.160
  373    H    ASP  48           HN       ASP  48 -33.047   7.920   7.920
  374    HA   ASP  48           HA       ASP  48 -34.155   5.224   5.224
  375   1HB   ASP  48           HB2      ASP  48 -33.448   7.167   7.167
  376   2HB   ASP  48           HB3      ASP  48 -35.099   6.605   6.605
  377    HD2  ASP  48           HD2      ASP  48 -33.958   5.162   5.162
  378    H    CYS  49           HN       CYS  49 -34.686   7.865   7.865
  379    HA   CYS  49           HA       CYS  49 -37.329   8.579   8.579
  380   1HB   CYS  49           HB2      CYS  49 -35.821  10.314  10.314
  381   2HB   CYS  49           HB3      CYS  49 -35.725   9.491   9.491
  382    H    THR  50           HN       THR  50 -38.928   7.079   7.079
  383    HA   THR  50           HA       THR  50 -38.695   5.191   5.191
  384    HB   THR  50           HB       THR  50 -41.018   4.596   4.596
  385    HG1  THR  50           HG1      THR  50 -41.415   6.978   6.978
  386   1HG2  THR  50           HG2      THR  50 -38.861   3.957   3.957
  387   2HG2  THR  50           HG2      THR  50 -39.314   5.295   5.295
  388   3HG2  THR  50           HG2      THR  50 -40.413   3.911   3.911
  389    H    GLU  51           HN       GLU  51 -39.402   8.497   8.497
  390    HA   GLU  51           HA       GLU  51 -39.786   8.694   8.694
  391   1HB   GLU  51           HB2      GLU  51 -42.188   7.561   7.561
  392   2HB   GLU  51           HB3      GLU  51 -42.561   9.128   9.128
  393   1HG   GLU  51           HG2      GLU  51 -41.105   8.208   8.208
  394   2HG   GLU  51           HG3      GLU  51 -41.524   6.647   6.647
  395    HE1  GLU  51           HE2      GLU  51 -43.140   9.657   9.657
  396    H    ARG  52           HN       ARG  52 -42.271   9.962   9.962
  397    HA   ARG  52           HA       ARG  52 -40.729  12.292  12.292
  398   1HB   ARG  52           HB2      ARG  52 -42.695  12.255  12.255
  399   2HB   ARG  52           HB3      ARG  52 -43.133  13.446  13.446
  400   1HG   ARG  52           HG2      ARG  52 -40.240  13.455  13.455
  401   2HG   ARG  52           HG3      ARG  52 -41.255  13.813  13.813
  402   1HD   ARG  52           HD2      ARG  52 -41.692  15.210  15.210
  403   2HD   ARG  52           HD3      ARG  52 -40.510  15.804  15.804
  404    HE   ARG  52           HE       ARG  52 -42.710  15.568  15.568
  405   1HH1  ARG  52           HH2      ARG  52 -42.317  17.022  17.022
  406   2HH1  ARG  52           HH2      ARG  52 -43.581  18.183  18.183
  407    HH2  ARG  52           HH1      ARG  52 -44.778  18.211  18.211
  408    H    GLN  53           HN       GLN  53 -42.793  14.033  14.033
  409    HA   GLN  53           HA       GLN  53 -43.528  12.763  12.763
  410   1HB   GLN  53           HB2      GLN  53 -44.632  14.905  14.905
  411   2HB   GLN  53           HB3      GLN  53 -43.037  15.179  15.179
  412   1HG   GLN  53           HG2      GLN  53 -43.914  16.408  16.408
  413   2HG   GLN  53           HG3      GLN  53 -44.914  15.060  15.060
  414   1HE2  GLN  53           HE2      GLN  53 -46.388  17.867  17.867
  415   2HE2  GLN  53           HE2      GLN  53 -44.700  17.490  17.490
  416    H    ALA  54           HN       ALA  54 -44.613  10.907  10.907
  417    HA   ALA  54           HA       ALA  54 -47.417  11.209  11.209
  418   1HB   ALA  54           HB1      ALA  54 -46.413  12.044  12.044
  419   2HB   ALA  54           HB2      ALA  54 -47.053  10.408  10.408
  420   3HB   ALA  54           HB3      ALA  54 -48.106  11.668  11.668
  421    H    ASN  55           HN       ASN  55 -48.543   9.102   9.102
  422    HA   ASN  55           HA       ASN  55 -48.657   6.971   6.971
  423   1HB   ASN  55           HB2      ASN  55 -46.310   6.949   6.949
  424   2HB   ASN  55           HB3      ASN  55 -47.103   5.480   5.480
  425   1HD2  ASN  55           HD2      ASN  55 -48.743   7.947   7.947
  426   2HD2  ASN  55           HD2      ASN  55 -47.252   8.273   8.273

  Start of MODEL   27
    1    H    MET   1           HN       MET   1   1.884   0.000   0.000
    2    HA   MET   1           HA       MET   1   1.568   0.719   0.719
    3   1HB   MET   1           HB2      MET   1   3.628   0.703   0.703
    4   2HB   MET   1           HB3      MET   1   4.185  -0.430  -0.430
    5   1HG   MET   1           HG2      MET   1   5.016   1.596   1.596
    6   2HG   MET   1           HG3      MET   1   3.503   1.459   1.459
    7   1HE   MET   1           HE2      MET   1   1.920   2.777   2.777
    8   2HE   MET   1           HE3      MET   1   1.317   4.043   4.043
    9   3HE   MET   1           HE1      MET   1   2.650   4.400   4.400
   10    H    GLN   2           HN       GLN   2   0.260  -0.979  -0.979
   11    HA   GLN   2           HA       GLN   2  -0.126  -2.865  -2.865
   12   1HB   GLN   2           HB2      GLN   2   2.709  -2.336  -2.336
   13   2HB   GLN   2           HB3      GLN   2   2.400  -4.061  -4.061
   14   1HG   GLN   2           HG2      GLN   2   2.085  -3.217  -3.217
   15   2HG   GLN   2           HG3      GLN   2   0.512  -3.667  -3.667
   16   1HE2  GLN   2           HE2      GLN   2   0.856  -0.133  -0.133
   17   2HE2  GLN   2           HE2      GLN   2   1.671  -1.613  -1.613
   18    H    LYS   3           HN       LYS   3   0.037  -5.340  -5.340
   19    HA   LYS   3           HA       LYS   3   0.030  -6.066  -6.066
   20   1HB   LYS   3           HB2      LYS   3  -0.827  -8.159  -8.159
   21   2HB   LYS   3           HB3      LYS   3  -1.586  -6.906  -6.906
   22   1HG   LYS   3           HG2      LYS   3  -0.415  -7.477  -7.477
   23   2HG   LYS   3           HG3      LYS   3   0.965  -8.104  -8.104
   24   1HD   LYS   3           HD2      LYS   3  -0.106 -10.040 -10.040
   25   2HD   LYS   3           HD3      LYS   3  -0.571 -10.020 -10.020
   26   1HE   LYS   3           HE2      LYS   3  -2.539  -8.443  -8.443
   27   2HE   LYS   3           HE3      LYS   3  -2.260  -9.778  -9.778
   28   1HZ   LYS   3           HZ1      LYS   3  -3.214  -9.895  -9.895
   29   2HZ   LYS   3           HZ2      LYS   3  -3.811 -10.654 -10.654
   30    H    GLY   4           HN       GLY   4   1.143  -8.388  -8.388
   31   1HA   GLY   4           HA1      GLY   4   3.841  -7.938  -7.938
   32   2HA   GLY   4           HA2      GLY   4   3.063  -9.509  -9.509
   33    H    ASN   5           HN       ASN   5   5.545  -7.889  -7.889
   34    HA   ASN   5           HA       ASN   5   5.164  -9.292  -9.292
   35   1HB   ASN   5           HB2      ASN   5   6.975  -7.651  -7.651
   36   2HB   ASN   5           HB3      ASN   5   5.416  -6.939  -6.939
   37   1HD2  ASN   5           HD2      ASN   5   6.431  -5.039  -5.039
   38   2HD2  ASN   5           HD2      ASN   5   5.115  -5.740  -5.740
   39    H    PHE   6           HN       PHE   6   6.154 -11.306 -11.306
   40    HA   PHE   6           HA       PHE   6   7.817 -12.727 -12.727
   41   1HB   PHE   6           HB2      PHE   6   8.982 -10.709 -10.709
   42   2HB   PHE   6           HB3      PHE   6   9.785 -10.399 -10.399
   43    HD1  PHE   6           HD2      PHE   6  11.054 -12.393 -12.393
   44    HD2  PHE   6           HD1      PHE   6   9.868 -12.273 -12.273
   45    HE1  PHE   6           HE2      PHE   6  12.776 -14.133 -14.133
   46    HE2  PHE   6           HE1      PHE   6  11.590 -14.013 -14.013
   47   1HZ   PHE   6           HZ       PHE   6  13.023 -14.923 -14.923
   48    H    ARG   7           HN       ARG   7   8.835  -9.717  -9.717
   49    HA   ARG   7           HA       ARG   7   8.620 -11.280 -11.280
   50   1HB   ARG   7           HB2      ARG   7  10.800 -10.410 -10.410
   51   2HB   ARG   7           HB3      ARG   7  11.018 -11.340 -11.340
   52   1HG   ARG   7           HG2      ARG   7  12.281  -9.455  -9.455
   53   2HG   ARG   7           HG3      ARG   7  10.733  -8.978  -8.978
   54   1HD   ARG   7           HD2      ARG   7  10.507  -7.263  -7.263
   55   2HD   ARG   7           HD3      ARG   7  10.902  -8.290  -8.290
   56    HE   ARG   7           HE       ARG   7  12.750  -6.572  -6.572
   57   1HH1  ARG   7           HH2      ARG   7  12.516  -9.418  -9.418
   58   2HH1  ARG   7           HH2      ARG   7  14.151  -9.295  -9.295
   59    HH2  ARG   7           HH1      ARG   7  15.538  -7.518  -7.518
   60    H    ASN   8           HN       ASN   8   8.762  -9.748  -9.748
   61    HA   ASN   8           HA       ASN   8   8.176  -7.013  -7.013
   62   1HB   ASN   8           HB2      ASN   8   5.975  -8.544  -8.544
   63   2HB   ASN   8           HB3      ASN   8   6.162  -8.460  -8.460
   64   1HD2  ASN   8           HD2      ASN   8   5.595  -4.940  -4.940
   65   2HD2  ASN   8           HD2      ASN   8   6.521  -6.255  -6.255
   66    H    GLN   9           HN       GLN   9   7.985  -9.646  -9.646
   67    HA   GLN   9           HA       GLN   9   8.799  -9.832  -9.832
   68   1HB   GLN   9           HB2      GLN   9  10.691  -7.666  -7.666
   69   2HB   GLN   9           HB3      GLN   9  10.826  -8.338  -8.338
   70   1HG   GLN   9           HG2      GLN   9  10.917  -9.952  -9.952
   71   2HG   GLN   9           HG3      GLN   9  12.312  -9.512  -9.512
   72   1HE2  GLN   9           HE2      GLN   9  11.744 -11.800 -11.800
   73   2HE2  GLN   9           HE2      GLN   9  12.447 -10.281 -10.281
   74    H    ARG  10           HN       ARG  10   8.181  -9.154  -9.154
   75    HA   ARG  10           HA       ARG  10   6.317  -7.137  -7.137
   76   1HB   ARG  10           HB2      ARG  10   6.983  -9.201  -9.201
   77   2HB   ARG  10           HB3      ARG  10   7.809  -7.930  -7.930
   78   1HG   ARG  10           HG2      ARG  10   4.880  -7.736  -7.736
   79   2HG   ARG  10           HG3      ARG  10   5.389  -8.378  -8.378
   80   1HD   ARG  10           HD2      ARG  10   6.614  -6.190  -6.190
   81   2HD   ARG  10           HD3      ARG  10   5.935  -5.560  -5.560
   82    HE   ARG  10           HE       ARG  10   3.904  -6.665  -6.665
   83   1HH1  ARG  10           HH2      ARG  10   5.797  -3.770  -3.770
   84   2HH1  ARG  10           HH2      ARG  10   4.660  -2.683  -2.683
   85    HH2  ARG  10           HH1      ARG  10   2.672  -3.564  -3.564
   86    H    LYS  11           HN       LYS  11   9.600  -7.256  -7.256
   87    HA   LYS  11           HA       LYS  11  10.008  -4.480  -4.480
   88   1HB   LYS  11           HB2      LYS  11   9.234  -5.366  -5.366
   89   2HB   LYS  11           HB3      LYS  11  10.654  -4.342  -4.342
   90   1HG   LYS  11           HG2      LYS  11   9.207  -2.834  -2.834
   91   2HG   LYS  11           HG3      LYS  11   7.843  -3.721  -3.721
   92   1HD   LYS  11           HD2      LYS  11   9.880  -2.469  -2.469
   93   2HD   LYS  11           HD3      LYS  11   8.606  -1.487  -1.487
   94   1HE   LYS  11           HE2      LYS  11   7.407  -2.185  -2.185
   95   2HE   LYS  11           HE3      LYS  11   7.114  -3.614  -3.614
   96   1HZ   LYS  11           HZ1      LYS  11   8.533  -4.841  -4.841
   97   2HZ   LYS  11           HZ2      LYS  11   9.597  -3.632  -3.632
   98    H    THR  12           HN       THR  12  11.181  -7.260  -7.260
   99    HA   THR  12           HA       THR  12  13.901  -6.568  -6.568
  100    HB   THR  12           HB       THR  12  12.851  -9.373  -9.373
  101    HG1  THR  12           HG1      THR  12  11.685  -8.456  -8.456
  102   1HG2  THR  12           HG2      THR  12  15.285  -7.823  -7.823
  103   2HG2  THR  12           HG2      THR  12  14.542  -8.416  -8.416
  104   3HG2  THR  12           HG2      THR  12  14.995  -9.565  -9.565
  105    H    VAL  13           HN       VAL  13  14.511  -6.157  -6.157
  106    HA   VAL  13           HA       VAL  13  13.814  -7.831  -7.831
  107    HB   VAL  13           HB       VAL  13  15.685  -6.629  -6.629
  108   1HG1  VAL  13           HG1      VAL  13  13.321  -5.407  -5.407
  109   2HG1  VAL  13           HG1      VAL  13  14.549  -4.253  -4.253
  110   3HG1  VAL  13           HG1      VAL  13  13.825  -5.418  -5.418
  111   1HG2  VAL  13           HG2      VAL  13  16.399  -6.023  -6.023
  112   2HG2  VAL  13           HG2      VAL  13  17.342  -5.813  -5.813
  113   3HG2  VAL  13           HG2      VAL  13  16.217  -4.539  -4.539
  114    H    LYS  14           HN       LYS  14  15.667  -8.922  -8.922
  115    HA   LYS  14           HA       LYS  14  17.422 -10.391 -10.391
  116   1HB   LYS  14           HB2      LYS  14  16.890 -12.471 -12.471
  117   2HB   LYS  14           HB3      LYS  14  15.382 -11.720 -11.720
  118   1HG   LYS  14           HG2      LYS  14  14.936 -10.972 -10.972
  119   2HG   LYS  14           HG3      LYS  14  16.538 -11.450 -11.450
  120   1HD   LYS  14           HD2      LYS  14  15.663 -13.836 -13.836
  121   2HD   LYS  14           HD3      LYS  14  14.128 -13.146 -13.146
  122   1HE   LYS  14           HE2      LYS  14  14.904 -14.344 -14.344
  123   2HE   LYS  14           HE3      LYS  14  15.204 -12.657 -12.657
  124   1HZ   LYS  14           HZ1      LYS  14  17.313 -14.310 -14.310
  125   2HZ   LYS  14           HZ2      LYS  14  17.113 -14.306 -14.306
  126    H    CYS  15           HN       CYS  15  19.514 -10.681 -10.681
  127    HA   CYS  15           HA       CYS  15  20.198  -9.173  -9.173
  128   1HB   CYS  15           HB2      CYS  15  21.514  -8.898  -8.898
  129   2HB   CYS  15           HB3      CYS  15  21.904 -10.606 -10.606
  130    H    PHE  16           HN       PHE  16  20.103 -10.173 -10.173
  131    HA   PHE  16           HA       PHE  16  20.201 -13.055 -13.055
  132   1HB   PHE  16           HB2      PHE  16  19.102 -10.813 -10.813
  133   2HB   PHE  16           HB3      PHE  16  20.215 -11.607 -11.607
  134    HD1  PHE  16           HD2      PHE  16  19.935 -14.406 -14.406
  135    HD2  PHE  16           HD1      PHE  16  16.937 -11.404 -11.404
  136    HE1  PHE  16           HE2      PHE  16  18.188 -16.129 -16.129
  137    HE2  PHE  16           HE1      PHE  16  15.190 -13.128 -13.128
  138   1HZ   PHE  16           HZ       PHE  16  15.836 -15.470 -15.470
  139    H    ASN  17           HN       ASN  17  22.595 -10.946 -10.946
  140    HA   ASN  17           HA       ASN  17  24.259 -11.879 -11.879
  141   1HB   ASN  17           HB2      ASN  17  24.209  -9.419  -9.419
  142   2HB   ASN  17           HB3      ASN  17  24.949  -9.918  -9.918
  143   1HD2  ASN  17           HD2      ASN  17  28.141 -10.707 -10.707
  144   2HD2  ASN  17           HD2      ASN  17  26.990 -11.105 -11.105
  145    H    CYS  18           HN       CYS  18  23.924 -11.825 -11.825
  146    HA   CYS  18           HA       CYS  18  26.098 -13.777 -13.777
  147   1HB   CYS  18           HB2      CYS  18  26.199 -13.180 -13.180
  148   2HB   CYS  18           HB3      CYS  18  26.611 -11.870 -11.870
  149    H    GLY  19           HN       GLY  19  22.713 -12.944 -12.944
  150   1HA   GLY  19           HA1      GLY  19  21.026 -14.596 -14.596
  151   2HA   GLY  19           HA2      GLY  19  22.201 -15.811 -15.811
  152    H    LYS  20           HN       LYS  20  22.219 -12.602 -12.602
  153    HA   LYS  20           HA       LYS  20  21.172 -13.875 -13.875
  154   1HB   LYS  20           HB2      LYS  20  23.611 -12.377 -12.377
  155   2HB   LYS  20           HB3      LYS  20  22.658 -11.615 -11.615
  156   1HG   LYS  20           HG2      LYS  20  23.307 -14.598 -14.598
  157   2HG   LYS  20           HG3      LYS  20  24.288 -13.411 -13.411
  158   1HD   LYS  20           HD2      LYS  20  22.289 -12.721 -12.721
  159   2HD   LYS  20           HD3      LYS  20  21.322 -13.927 -13.927
  160   1HE   LYS  20           HE2      LYS  20  21.932 -15.277 -15.277
  161   2HE   LYS  20           HE3      LYS  20  23.409 -15.499 -15.499
  162   1HZ   LYS  20           HZ1      LYS  20  22.967 -13.717 -13.717
  163   2HZ   LYS  20           HZ2      LYS  20  24.165 -14.796 -14.796
  164    H    GLU  21           HN       GLU  21  19.548 -12.829 -12.829
  165    HA   GLU  21           HA       GLU  21  18.171 -10.837 -10.837
  166   1HB   GLU  21           HB2      GLU  21  16.370 -11.148 -11.148
  167   2HB   GLU  21           HB3      GLU  21  16.936 -12.700 -12.700
  168   1HG   GLU  21           HG2      GLU  21  18.094 -13.188 -13.188
  169   2HG   GLU  21           HG3      GLU  21  18.160 -11.505 -11.505
  170    HE1  GLU  21           HE2      GLU  21  14.600 -13.320 -13.320
  171    H    GLY  22           HN       GLY  22  17.684  -8.684  -8.684
  172   1HA   GLY  22           HA1      GLY  22  17.765  -7.133  -7.133
  173   2HA   GLY  22           HA2      GLY  22  19.375  -7.743  -7.743
  174    H    HIS  23           HN       HIS  23  18.940  -7.780  -7.780
  175    HA   HIS  23           HA       HIS  23  19.238  -5.091  -5.091
  176   1HB   HIS  23           HB2      HIS  23  21.549  -4.807  -4.807
  177   2HB   HIS  23           HB3      HIS  23  21.388  -5.431  -5.431
  178    HD1  HIS  23           HD1      HIS  23  21.863  -8.128  -8.128
  179    HD2  HIS  23           HD2      HIS  23  23.238  -6.254  -6.254
  180    HE1  HIS  23           HE1      HIS  23  23.600  -9.696  -9.696
  181    H    ILE  24           HN       ILE  24  20.286  -4.967  -4.967
  182    HA   ILE  24           HA       ILE  24  19.286  -7.347  -7.347
  183    HB   ILE  24           HB       ILE  24  18.672  -5.876  -5.876
  184   1HG1  ILE  24           HG1      ILE  24  19.632  -3.602  -3.602
  185   2HG1  ILE  24           HG1      ILE  24  20.418  -4.168  -4.168
  186   1HG2  ILE  24           HG2      ILE  24  17.569  -5.014  -5.014
  187   2HG2  ILE  24           HG2      ILE  24  16.819  -4.665  -4.665
  188   3HG2  ILE  24           HG2      ILE  24  16.987  -6.349  -6.349
  189   1HD1  ILE  24           HD1      ILE  24  18.170  -3.723  -3.723
  190   2HD1  ILE  24           HD1      ILE  24  17.698  -2.833  -2.833
  191   3HD1  ILE  24           HD1      ILE  24  19.104  -2.298  -2.298
  192    H    ALA  25           HN       ALA  25  20.331  -7.531  -7.531
  193    HA   ALA  25           HA       ALA  25  23.069  -7.930  -7.930
  194   1HB   ALA  25           HB2      ALA  25  21.373  -7.777  -7.777
  195   2HB   ALA  25           HB3      ALA  25  23.040  -8.397  -8.397
  196   3HB   ALA  25           HB1      ALA  25  21.742  -9.236  -9.236
  197    H    LYS  26           HN       LYS  26  21.154  -5.202  -5.202
  198    HA   LYS  26           HA       LYS  26  23.348  -3.862  -3.862
  199   1HB   LYS  26           HB2      LYS  26  20.934  -3.527  -3.527
  200   2HB   LYS  26           HB3      LYS  26  20.709  -2.723  -2.723
  201   1HG   LYS  26           HG2      LYS  26  21.269  -0.819  -0.819
  202   2HG   LYS  26           HG3      LYS  26  22.920  -1.378  -1.378
  203   1HD   LYS  26           HD2      LYS  26  22.967  -2.309  -2.309
  204   2HD   LYS  26           HD3      LYS  26  21.221  -2.300  -2.300
  205   1HE   LYS  26           HE2      LYS  26  22.824   0.276   0.276
  206   2HE   LYS  26           HE3      LYS  26  22.510  -0.447  -0.447
  207   1HZ   LYS  26           HZ1      LYS  26  20.374   0.302   0.302
  208   2HZ   LYS  26           HZ2      LYS  26  20.812   1.212   1.212
  209    H    ASN  27           HN       ASN  27  22.325  -4.410  -4.410
  210    HA   ASN  27           HA       ASN  27  23.925  -2.140  -2.140
  211   1HB   ASN  27           HB2      ASN  27  21.453  -3.308  -3.308
  212   2HB   ASN  27           HB3      ASN  27  22.646  -3.532  -3.532
  213   1HD2  ASN  27           HD2      ASN  27  22.045  -0.344  -0.344
  214   2HD2  ASN  27           HD2      ASN  27  22.169  -2.052  -2.052
  215    H    CYS  28           HN       CYS  28  24.642  -5.050  -5.050
  216    HA   CYS  28           HA       CYS  28  25.805  -6.176  -6.176
  217   1HB   CYS  28           HB2      CYS  28  24.671  -7.552  -7.552
  218   2HB   CYS  28           HB3      CYS  28  26.059  -7.213  -7.213
  219    H    ARG  29           HN       ARG  29  27.794  -5.460  -5.460
  220    HA   ARG  29           HA       ARG  29  29.370  -3.931  -3.931
  221   1HB   ARG  29           HB2      ARG  29  30.872  -3.637  -3.637
  222   2HB   ARG  29           HB3      ARG  29  29.206  -3.237  -3.237
  223   1HG   ARG  29           HG2      ARG  29  28.846  -5.381  -5.381
  224   2HG   ARG  29           HG3      ARG  29  30.389  -5.994  -5.994
  225   1HD   ARG  29           HD2      ARG  29  30.056  -3.612  -3.612
  226   2HD   ARG  29           HD3      ARG  29  30.441  -5.242  -5.242
  227    HE   ARG  29           HE       ARG  29  32.249  -3.362  -3.362
  228   1HH1  ARG  29           HH2      ARG  29  31.694  -6.723  -6.723
  229   2HH1  ARG  29           HH2      ARG  29  33.365  -7.163  -7.163
  230    HH2  ARG  29           HH1      ARG  29  34.970  -5.511  -5.511
  231    H    ALA  30           HN       ALA  30  28.904  -7.175  -7.175
  232    HA   ALA  30           HA       ALA  30  31.708  -7.756  -7.756
  233   1HB   ALA  30           HB2      ALA  30  30.147  -8.744  -8.744
  234   2HB   ALA  30           HB3      ALA  30  30.405 -10.083 -10.083
  235   3HB   ALA  30           HB1      ALA  30  31.800  -9.201  -9.201
  236    HA   PRO  31           HA       PRO  31  29.215  -8.917  -8.917
  237   1HB   PRO  31           HB2      PRO  31  31.042  -8.238  -8.238
  238   2HB   PRO  31           HB3      PRO  31  29.820  -7.131  -7.131
  239   1HG   PRO  31           HG2      PRO  31  32.716  -7.188  -7.188
  240   2HG   PRO  31           HG3      PRO  31  31.574  -5.878  -5.878
  241   1HD   PRO  31           HD2      PRO  31  32.639  -7.596  -7.596
  242   2HD   PRO  31           HD3      PRO  31  31.411  -6.363  -6.363
  243    H    ARG  32           HN       ARG  32  32.711  -9.451  -9.451
  244    HA   ARG  32           HA       ARG  32  33.854 -11.217 -11.217
  245   1HB   ARG  32           HB2      ARG  32  31.648 -12.371 -12.371
  246   2HB   ARG  32           HB3      ARG  32  32.785 -13.478 -13.478
  247   1HG   ARG  32           HG2      ARG  32  34.651 -12.538 -12.538
  248   2HG   ARG  32           HG3      ARG  32  33.798 -11.052 -11.052
  249   1HD   ARG  32           HD2      ARG  32  33.984 -12.483 -12.483
  250   2HD   ARG  32           HD3      ARG  32  32.305 -12.259 -12.259
  251    HE   ARG  32           HE       ARG  32  32.148 -14.546 -14.546
  252   1HH1  ARG  32           HH2      ARG  32  35.570 -13.645 -13.645
  253   2HH1  ARG  32           HH2      ARG  32  36.134 -15.280 -15.280
  254    HH2  ARG  32           HH1      ARG  32  34.542 -17.061 -17.061
  255    H    LYS  33           HN       LYS  33  33.540 -11.085 -11.085
  256    HA   LYS  33           HA       LYS  33  32.470 -13.411 -13.411
  257   1HB   LYS  33           HB2      LYS  33  30.323 -12.252 -12.252
  258   2HB   LYS  33           HB3      LYS  33  30.810 -10.923 -10.923
  259   1HG   LYS  33           HG2      LYS  33  30.180 -12.051 -12.051
  260   2HG   LYS  33           HG3      LYS  33  31.176 -13.427 -13.427
  261   1HD   LYS  33           HD2      LYS  33  28.517 -12.979 -12.979
  262   2HD   LYS  33           HD3      LYS  33  28.563 -13.733 -13.733
  263   1HE   LYS  33           HE2      LYS  33  29.091 -15.713 -15.713
  264   2HE   LYS  33           HE3      LYS  33  30.592 -15.023 -15.023
  265   1HZ   LYS  33           HZ1      LYS  33  29.050 -15.891 -15.891
  266   2HZ   LYS  33           HZ2      LYS  33  29.524 -14.352 -14.352
  267    H    LYS  34           HN       LYS  34  34.837 -13.078 -13.078
  268    HA   LYS  34           HA       LYS  34  35.780 -10.979 -10.979
  269   1HB   LYS  34           HB2      LYS  34  37.640 -12.404 -12.404
  270   2HB   LYS  34           HB3      LYS  34  37.151 -12.707 -12.707
  271   1HG   LYS  34           HG2      LYS  34  35.595 -14.556 -14.556
  272   2HG   LYS  34           HG3      LYS  34  36.977 -14.495 -14.495
  273   1HD   LYS  34           HD2      LYS  34  37.235 -14.879 -14.879
  274   2HD   LYS  34           HD3      LYS  34  37.124 -16.217 -16.217
  275   1HE   LYS  34           HE2      LYS  34  39.232 -14.033 -14.033
  276   2HE   LYS  34           HE3      LYS  34  39.504 -15.468 -15.468
  277   1HZ   LYS  34           HZ1      LYS  34  39.294 -15.247 -15.247
  278   2HZ   LYS  34           HZ2      LYS  34  40.236 -16.235 -16.235
  279    H    GLY  35           HN       GLY  35  36.602 -11.295 -11.295
  280   1HA   GLY  35           HA1      GLY  35  36.038 -12.403 -12.403
  281   2HA   GLY  35           HA2      GLY  35  34.363 -12.415 -12.415
  282    H    CYS  36           HN       CYS  36  34.425 -11.298 -11.298
  283    HA   CYS  36           HA       CYS  36  35.208  -8.549  -8.549
  284   1HB   CYS  36           HB2      CYS  36  35.344  -9.999  -9.999
  285   2HB   CYS  36           HB3      CYS  36  33.593 -10.020 -10.020
  286    H    TRP  37           HN       TRP  37  33.965  -7.026  -7.026
  287    HA   TRP  37           HA       TRP  37  31.164  -7.632  -7.632
  288   1HB   TRP  37           HB2      TRP  37  32.964  -6.686  -6.686
  289   2HB   TRP  37           HB3      TRP  37  32.533  -5.149  -5.149
  290    HD1  TRP  37           HD1      TRP  37  30.789  -8.064  -8.064
  291    HE1  TRP  37           HE1      TRP  37  28.674  -7.184  -7.184
  292    HE3  TRP  37           HE3      TRP  37  30.995  -3.313  -3.313
  293    HZ2  TRP  37           HZ2      TRP  37  27.355  -4.657  -4.657
  294    HZ3  TRP  37           HZ3      TRP  37  29.256  -1.702  -1.702
  295    HH2  TRP  37           HH2      TRP  37  27.480  -2.308  -2.308
  296    H    LYS  38           HN       LYS  38  32.641  -6.787  -6.787
  297    HA   LYS  38           HA       LYS  38  31.022  -4.403  -4.403
  298   1HB   LYS  38           HB2      LYS  38  33.579  -4.453  -4.453
  299   2HB   LYS  38           HB3      LYS  38  33.248  -5.465  -5.465
  300   1HG   LYS  38           HG2      LYS  38  31.658  -3.681  -3.681
  301   2HG   LYS  38           HG3      LYS  38  32.136  -2.662  -2.662
  302   1HD   LYS  38           HD2      LYS  38  33.622  -1.901  -1.901
  303   2HD   LYS  38           HD3      LYS  38  34.603  -3.151  -3.151
  304   1HE   LYS  38           HE2      LYS  38  33.491  -4.742  -4.742
  305   2HE   LYS  38           HE3      LYS  38  33.095  -3.250  -3.250
  306   1HZ   LYS  38           HZ1      LYS  38  35.360  -4.376  -4.376
  307   2HZ   LYS  38           HZ2      LYS  38  35.343  -2.757  -2.757
  308    H    CYS  39           HN       CYS  39  31.859  -7.710  -7.710
  309    HA   CYS  39           HA       CYS  39  29.518  -7.534  -7.534
  310   1HB   CYS  39           HB2      CYS  39  30.507  -9.516  -9.516
  311   2HB   CYS  39           HB3      CYS  39  31.424  -8.030  -8.030
  312    H    GLY  40           HN       GLY  40  31.006  -9.013  -9.013
  313   1HA   GLY  40           HA1      GLY  40  29.719 -10.065 -10.065
  314   2HA   GLY  40           HA2      GLY  40  28.560 -10.577 -10.577
  315    H    LYS  41           HN       LYS  41  31.313 -11.149 -11.149
  316    HA   LYS  41           HA       LYS  41  31.204 -13.917 -13.917
  317   1HB   LYS  41           HB2      LYS  41  32.224 -12.203 -12.203
  318   2HB   LYS  41           HB3      LYS  41  33.694 -12.786 -12.786
  319   1HG   LYS  41           HG2      LYS  41  33.463 -14.572 -14.572
  320   2HG   LYS  41           HG3      LYS  41  32.296 -15.145 -15.145
  321   1HD   LYS  41           HD2      LYS  41  31.083 -13.213 -13.213
  322   2HD   LYS  41           HD3      LYS  41  31.802 -14.559 -14.559
  323   1HE   LYS  41           HE2      LYS  41  29.764 -15.544 -15.544
  324   2HE   LYS  41           HE3      LYS  41  30.557 -15.968 -15.968
  325   1HZ   LYS  41           HZ1      LYS  41  28.282 -14.446 -14.446
  326   2HZ   LYS  41           HZ2      LYS  41  29.158 -14.626 -14.626
  327    H    GLU  42           HN       GLU  42  31.672 -14.921 -14.921
  328    HA   GLU  42           HA       GLU  42  33.616 -13.783 -13.783
  329   1HB   GLU  42           HB2      GLU  42  33.043 -15.728 -15.728
  330   2HB   GLU  42           HB3      GLU  42  31.631 -14.825 -14.825
  331   1HG   GLU  42           HG2      GLU  42  32.237 -16.906 -16.906
  332   2HG   GLU  42           HG3      GLU  42  32.127 -17.609 -17.609
  333    HE1  GLU  42           HE2      GLU  42  29.992 -17.753 -17.753
  334    H    GLY  43           HN       GLY  43  35.602 -13.865 -13.865
  335   1HA   GLY  43           HA1      GLY  43  37.151 -16.166 -16.166
  336   2HA   GLY  43           HA2      GLY  43  36.573 -16.174 -16.174
  337    H    HIS  44           HN       HIS  44  36.614 -13.654 -13.654
  338    HA   HIS  44           HA       HIS  44  39.433 -13.014 -13.014
  339   1HB   HIS  44           HB2      HIS  44  39.134 -11.849 -11.849
  340   2HB   HIS  44           HB3      HIS  44  38.230 -13.343 -13.343
  341    HD1  HIS  44           HD1      HIS  44  35.951 -13.059 -13.059
  342    HD2  HIS  44           HD2      HIS  44  37.247  -9.607  -9.607
  343    HE1  HIS  44           HE1      HIS  44  34.112 -11.319 -11.319
  344    H    GLN  45           HN       GLN  45  40.120 -10.692 -10.692
  345    HA   GLN  45           HA       GLN  45  38.397  -9.381  -9.381
  346   1HB   GLN  45           HB2      GLN  45  41.291  -8.647  -8.647
  347   2HB   GLN  45           HB3      GLN  45  40.345  -8.380  -8.380
  348   1HG   GLN  45           HG2      GLN  45  40.175 -11.075 -11.075
  349   2HG   GLN  45           HG3      GLN  45  41.661 -10.910 -10.910
  350   1HE2  GLN  45           HE2      GLN  45  43.504  -9.314  -9.314
  351   2HE2  GLN  45           HE2      GLN  45  43.196  -9.185  -9.185
  352    H    MET  46           HN       MET  46  38.727  -6.823  -6.823
  353    HA   MET  46           HA       MET  46  37.612  -5.948  -5.948
  354   1HB   MET  46           HB2      MET  46  38.138  -3.647  -3.647
  355   2HB   MET  46           HB3      MET  46  37.377  -4.721  -4.721
  356   1HG   MET  46           HG2      MET  46  39.132  -4.036  -4.036
  357   2HG   MET  46           HG3      MET  46  39.966  -5.346  -5.346
  358   1HE   MET  46           HE1      MET  46  41.477  -3.744  -3.744
  359   2HE   MET  46           HE2      MET  46  42.785  -3.557  -3.557
  360   3HE   MET  46           HE3      MET  46  41.973  -2.119  -2.119
  361    H    LYS  47           HN       LYS  47  41.033  -5.943  -5.943
  362    HA   LYS  47           HA       LYS  47  41.998  -4.378  -4.378
  363   1HB   LYS  47           HB2      LYS  47  43.043  -4.930  -4.930
  364   2HB   LYS  47           HB3      LYS  47  43.646  -6.378  -6.378
  365   1HG   LYS  47           HG2      LYS  47  44.041  -3.759  -3.759
  366   2HG   LYS  47           HG3      LYS  47  45.028  -4.059  -4.059
  367   1HD   LYS  47           HD2      LYS  47  45.457  -6.422  -6.422
  368   2HD   LYS  47           HD3      LYS  47  44.936  -5.604  -5.604
  369   1HE   LYS  47           HE2      LYS  47  47.158  -4.567  -4.567
  370   2HE   LYS  47           HE3      LYS  47  47.446  -5.542  -5.542
  371   1HZ   LYS  47           HZ1      LYS  47  47.094  -3.759  -3.759
  372   2HZ   LYS  47           HZ2      LYS  47  45.744  -3.289  -3.289
  373    H    ASP  48           HN       ASP  48  40.885  -7.662  -7.662
  374    HA   ASP  48           HA       ASP  48  42.198  -8.241  -8.241
  375   1HB   ASP  48           HB2      ASP  48  42.231  -9.718  -9.718
  376   2HB   ASP  48           HB3      ASP  48  40.917 -10.481 -10.481
  377    HD2  ASP  48           HD2      ASP  48  44.675 -10.920 -10.920
  378    H    CYS  49           HN       CYS  49  39.511  -6.839  -6.839
  379    HA   CYS  49           HA       CYS  49  37.467  -8.614  -8.614
  380   1HB   CYS  49           HB2      CYS  49  36.919  -6.904  -6.904
  381   2HB   CYS  49           HB3      CYS  49  37.496  -5.632  -5.632
  382    H    THR  50           HN       THR  50  37.346  -5.390  -5.390
  383    HA   THR  50           HA       THR  50  37.462  -4.607  -4.607
  384    HB   THR  50           HB       THR  50  39.009  -7.076  -7.076
  385    HG1  THR  50           HG1      THR  50  40.828  -5.684  -5.684
  386   1HG2  THR  50           HG2      THR  50  38.622  -5.150  -5.150
  387   2HG2  THR  50           HG2      THR  50  39.441  -4.077  -4.077
  388   3HG2  THR  50           HG2      THR  50  40.340  -5.404  -5.404
  389    H    GLU  51           HN       GLU  51  35.735  -7.177  -7.177
  390    HA   GLU  51           HA       GLU  51  34.521  -7.511  -7.511
  391   1HB   GLU  51           HB2      GLU  51  35.113  -9.434  -9.434
  392   2HB   GLU  51           HB3      GLU  51  33.531  -9.616  -9.616
  393   1HG   GLU  51           HG2      GLU  51  35.958  -9.307  -9.307
  394   2HG   GLU  51           HG3      GLU  51  35.640 -10.859 -10.859
  395    HE1  GLU  51           HE2      GLU  51  33.056  -9.451  -9.451
  396    H    ARG  52           HN       ARG  52  33.552  -5.308  -5.308
  397    HA   ARG  52           HA       ARG  52  31.777  -5.298  -5.298
  398   1HB   ARG  52           HB2      ARG  52  30.795  -3.261  -3.261
  399   2HB   ARG  52           HB3      ARG  52  32.458  -3.162  -3.162
  400   1HG   ARG  52           HG2      ARG  52  33.253  -3.074  -3.074
  401   2HG   ARG  52           HG3      ARG  52  32.308  -4.467  -4.467
  402   1HD   ARG  52           HD2      ARG  52  30.372  -3.118  -3.118
  403   2HD   ARG  52           HD3      ARG  52  31.016  -1.732  -1.732
  404    HE   ARG  52           HE       ARG  52  32.897  -2.328  -2.328
  405   1HH1  ARG  52           HH2      ARG  52  29.493  -1.357  -1.357
  406   2HH1  ARG  52           HH2      ARG  52  29.529  -0.544  -0.544
  407    HH2  ARG  52           HH1      ARG  52  31.569  -0.496  -0.496
  408    H    GLN  53           HN       GLN  53  31.506  -6.280  -6.280
  409    HA   GLN  53           HA       GLN  53  29.972  -7.378  -7.378
  410   1HB   GLN  53           HB2      GLN  53  29.726  -8.735  -8.735
  411   2HB   GLN  53           HB3      GLN  53  28.468  -7.644  -7.644
  412   1HG   GLN  53           HG2      GLN  53  27.286  -9.453  -9.453
  413   2HG   GLN  53           HG3      GLN  53  27.233  -8.178  -8.178
  414   1HE2  GLN  53           HE2      GLN  53  28.833 -11.768 -11.768
  415   2HE2  GLN  53           HE2      GLN  53  27.898 -11.372 -11.372
  416    H    ALA  54           HN       ALA  54  28.111  -5.507  -5.507
  417    HA   ALA  54           HA       ALA  54  26.753  -3.755  -3.755
  418   1HB   ALA  54           HB2      ALA  54  28.394  -3.431  -3.431
  419   2HB   ALA  54           HB3      ALA  54  26.797  -3.560  -3.560
  420   3HB   ALA  54           HB1      ALA  54  27.089  -2.311  -2.311
  421    H    ASN  55           HN       ASN  55  26.320  -5.701  -5.701
  422    HA   ASN  55           HA       ASN  55  23.513  -5.692  -5.692
  423   1HB   ASN  55           HB2      ASN  55  23.463  -7.056  -7.056
  424   2HB   ASN  55           HB3      ASN  55  24.478  -5.643  -5.643
  425   1HD2  ASN  55           HD2      ASN  55  26.363  -8.398  -8.398
  426   2HD2  ASN  55           HD2      ASN  55  24.932  -7.466  -7.466

  Start of MODEL   28
    1    H    MET   1           HN       MET   1   1.884   0.000   0.000
    2    HA   MET   1           HA       MET   1   1.589  -0.744  -0.744
    3   1HB   MET   1           HB2      MET   1   1.451   2.065   2.065
    4   2HB   MET   1           HB3      MET   1   3.021   1.800   1.800
    5   1HG   MET   1           HG2      MET   1   2.114   1.490   1.490
    6   2HG   MET   1           HG3      MET   1   0.924   0.356   0.356
    7   1HE   MET   1           HE2      MET   1   0.011   1.548   1.548
    8   2HE   MET   1           HE3      MET   1  -1.536   1.415   1.415
    9   3HE   MET   1           HE1      MET   1  -1.079   2.952   2.952
   10    H    GLN   2           HN       GLN   2   3.070  -2.391  -2.391
   11    HA   GLN   2           HA       GLN   2   5.353  -1.978  -1.978
   12   1HB   GLN   2           HB2      GLN   2   6.171  -4.090  -4.090
   13   2HB   GLN   2           HB3      GLN   2   4.529  -4.212  -4.212
   14   1HG   GLN   2           HG2      GLN   2   3.760  -3.566  -3.566
   15   2HG   GLN   2           HG3      GLN   2   5.419  -3.825  -3.825
   16   1HE2  GLN   2           HE2      GLN   2   2.964  -6.957  -6.957
   17   2HE2  GLN   2           HE2      GLN   2   2.607  -5.309  -5.309
   18    H    LYS   3           HN       LYS   3   4.741  -1.534  -1.534
   19    HA   LYS   3           HA       LYS   3   5.883  -0.484  -0.484
   20   1HB   LYS   3           HB2      LYS   3   7.441   0.682   0.682
   21   2HB   LYS   3           HB3      LYS   3   7.591   1.217   1.217
   22   1HG   LYS   3           HG2      LYS   3   5.512   2.244   2.244
   23   2HG   LYS   3           HG3      LYS   3   4.796   1.062   1.062
   24   1HD   LYS   3           HD2      LYS   3   4.909   2.925   2.925
   25   2HD   LYS   3           HD3      LYS   3   6.409   2.115   2.115
   26   1HE   LYS   3           HE2      LYS   3   7.724   3.730   3.730
   27   2HE   LYS   3           HE3      LYS   3   6.580   4.010   4.010
   28   1HZ   LYS   3           HZ1      LYS   3   6.594   5.920   5.920
   29   2HZ   LYS   3           HZ2      LYS   3   5.160   5.182   5.182
   30    H    GLY   4           HN       GLY   4   6.459  -2.745  -2.745
   31   1HA   GLY   4           HA1      GLY   4   9.324  -2.967  -2.967
   32   2HA   GLY   4           HA2      GLY   4   8.614  -4.189  -4.189
   33    H    ASN   5           HN       ASN   5   9.467  -5.656  -5.656
   34    HA   ASN   5           HA       ASN   5   9.075  -7.033  -7.033
   35   1HB   ASN   5           HB2      ASN   5   6.725  -7.112  -7.112
   36   2HB   ASN   5           HB3      ASN   5   6.240  -5.882  -5.882
   37   1HD2  ASN   5           HD2      ASN   5   5.933  -7.971  -7.971
   38   2HD2  ASN   5           HD2      ASN   5   5.921  -6.367  -6.367
   39    H    PHE   6           HN       PHE   6   9.627  -6.897  -6.897
   40    HA   PHE   6           HA       PHE   6   8.596  -4.686  -4.686
   41   1HB   PHE   6           HB2      PHE   6  10.765  -3.999  -3.999
   42   2HB   PHE   6           HB3      PHE   6  11.593  -5.270  -5.270
   43    HD1  PHE   6           HD2      PHE   6   9.349  -2.376  -2.376
   44    HD2  PHE   6           HD1      PHE   6  12.768  -4.632  -4.632
   45    HE1  PHE   6           HE2      PHE   6   9.783  -0.788  -0.788
   46    HE2  PHE   6           HE1      PHE   6  13.202  -3.044  -3.044
   47   1HZ   PHE   6           HZ       PHE   6  11.705  -1.141  -1.141
   48    H    ARG   7           HN       ARG   7   7.595  -6.137  -6.137
   49    HA   ARG   7           HA       ARG   7   7.481  -7.373  -7.373
   50   1HB   ARG   7           HB2      ARG   7   9.669  -6.203  -6.203
   51   2HB   ARG   7           HB3      ARG   7  10.530  -7.593  -7.593
   52   1HG   ARG   7           HG2      ARG   7  10.307  -8.396  -8.396
   53   2HG   ARG   7           HG3      ARG   7   8.713  -8.877  -8.877
   54   1HD   ARG   7           HD2      ARG   7   8.415  -6.158  -6.158
   55   2HD   ARG   7           HD3      ARG   7   9.452  -6.842  -6.842
   56    HE   ARG   7           HE       ARG   7   7.530  -8.757  -8.757
   57   1HH1  ARG   7           HH2      ARG   7   7.239  -5.230  -5.230
   58   2HH1  ARG   7           HH2      ARG   7   5.706  -5.268  -5.268
   59    HH2  ARG   7           HH1      ARG   7   4.707  -7.383  -7.383
   60    H    ASN   8           HN       ASN   8  10.378  -8.550  -8.550
   61    HA   ASN   8           HA       ASN   8   9.902 -11.220 -11.220
   62   1HB   ASN   8           HB2      ASN   8  11.298  -9.757  -9.757
   63   2HB   ASN   8           HB3      ASN   8  11.305 -11.505 -11.505
   64   1HD2  ASN   8           HD2      ASN   8  14.134  -9.487  -9.487
   65   2HD2  ASN   8           HD2      ASN   8  13.219  -9.055  -9.055
   66    H    GLN   9           HN       GLN   9   8.024 -12.313 -12.313
   67    HA   GLN   9           HA       GLN   9   7.304 -12.397 -12.397
   68   1HB   GLN   9           HB2      GLN   9   4.842 -11.585 -11.585
   69   2HB   GLN   9           HB3      GLN   9   6.069 -10.438 -10.438
   70   1HG   GLN   9           HG2      GLN   9   6.217  -9.476  -9.476
   71   2HG   GLN   9           HG3      GLN   9   6.065 -11.010 -11.010
   72   1HE2  GLN   9           HE2      GLN   9   4.160  -8.869  -8.869
   73   2HE2  GLN   9           HE2      GLN   9   2.662  -8.984  -8.984
   74    H    ARG  10           HN       ARG  10   6.364 -12.891 -12.891
   75    HA   ARG  10           HA       ARG  10   6.305 -15.576 -15.576
   76   1HB   ARG  10           HB2      ARG  10   3.640 -15.819 -15.819
   77   2HB   ARG  10           HB3      ARG  10   4.469 -15.862 -15.862
   78   1HG   ARG  10           HG2      ARG  10   3.598 -13.849 -13.849
   79   2HG   ARG  10           HG3      ARG  10   3.817 -13.112 -13.112
   80   1HD   ARG  10           HD2      ARG  10   1.567 -13.293 -13.293
   81   2HD   ARG  10           HD3      ARG  10   1.804 -15.021 -15.021
   82    HE   ARG  10           HE       ARG  10   1.723 -14.790 -14.790
   83   1HH1  ARG  10           HH2      ARG  10  -0.395 -13.441 -13.441
   84   2HH1  ARG  10           HH2      ARG  10  -1.795 -13.425 -13.425
   85    HH2  ARG  10           HH1      ARG  10  -1.613 -14.211 -14.211
   86    H    LYS  11           HN       LYS  11   4.621 -12.633 -12.633
   87    HA   LYS  11           HA       LYS  11   3.912 -12.024 -12.024
   88   1HB   LYS  11           HB2      LYS  11   5.531 -12.110 -12.110
   89   2HB   LYS  11           HB3      LYS  11   6.410 -11.989 -11.989
   90   1HG   LYS  11           HG2      LYS  11   7.119 -14.246 -14.246
   91   2HG   LYS  11           HG3      LYS  11   5.815 -14.732 -14.732
   92   1HD   LYS  11           HD2      LYS  11   7.799 -14.699 -14.699
   93   2HD   LYS  11           HD3      LYS  11   6.874 -13.284 -13.284
   94   1HE   LYS  11           HE2      LYS  11   9.071 -12.433 -12.433
   95   2HE   LYS  11           HE3      LYS  11   8.293 -11.991 -11.991
   96   1HZ   LYS  11           HZ1      LYS  11  10.329 -14.039 -14.039
   97   2HZ   LYS  11           HZ2      LYS  11  10.168 -13.019 -13.019
   98    H    THR  12           HN       THR  12   3.610 -13.009 -13.009
   99    HA   THR  12           HA       THR  12   2.013 -14.218 -14.218
  100    HB   THR  12           HB       THR  12   4.259 -15.391 -15.391
  101    HG1  THR  12           HG1      THR  12   2.049 -16.024 -16.024
  102   1HG2  THR  12           HG2      THR  12   3.190 -16.813 -16.813
  103   2HG2  THR  12           HG2      THR  12   3.948 -17.819 -17.819
  104   3HG2  THR  12           HG2      THR  12   4.878 -16.516 -16.516
  105    H    VAL  13           HN       VAL  13   1.356 -17.075 -17.075
  106    HA   VAL  13           HA       VAL  13  -0.329 -16.536 -16.536
  107    HB   VAL  13           HB       VAL  13  -2.115 -17.767 -17.767
  108   1HG1  VAL  13           HG1      VAL  13  -1.761 -15.255 -15.255
  109   2HG1  VAL  13           HG1      VAL  13  -1.176 -15.668 -15.668
  110   3HG1  VAL  13           HG1      VAL  13  -2.840 -16.080 -16.080
  111   1HG2  VAL  13           HG2      VAL  13  -0.027 -18.245 -18.245
  112   2HG2  VAL  13           HG2      VAL  13  -1.286 -19.332 -19.332
  113   3HG2  VAL  13           HG2      VAL  13  -1.715 -18.057 -18.057
  114    H    LYS  14           HN       LYS  14  -1.037 -18.561 -18.561
  115    HA   LYS  14           HA       LYS  14   0.857 -20.752 -20.752
  116   1HB   LYS  14           HB2      LYS  14   1.171 -20.958 -20.958
  117   2HB   LYS  14           HB3      LYS  14   1.772 -19.433 -19.433
  118   1HG   LYS  14           HG2      LYS  14  -1.031 -19.134 -19.134
  119   2HG   LYS  14           HG3      LYS  14  -0.161 -19.840 -19.840
  120   1HD   LYS  14           HD2      LYS  14   1.628 -17.904 -17.904
  121   2HD   LYS  14           HD3      LYS  14   0.159 -17.137 -17.137
  122   1HE   LYS  14           HE2      LYS  14  -0.271 -16.497 -16.497
  123   2HE   LYS  14           HE3      LYS  14  -0.527 -18.181 -18.181
  124   1HZ   LYS  14           HZ1      LYS  14   2.262 -17.463 -17.463
  125   2HZ   LYS  14           HZ2      LYS  14   1.455 -16.638 -16.638
  126    H    CYS  15           HN       CYS  15  -0.086 -22.742 -22.742
  127    HA   CYS  15           HA       CYS  15  -2.896 -22.866 -22.866
  128   1HB   CYS  15           HB2      CYS  15  -1.506 -24.281 -24.281
  129   2HB   CYS  15           HB3      CYS  15  -0.834 -25.080 -25.080
  130    H    PHE  16           HN       PHE  16  -4.088 -22.743 -22.743
  131    HA   PHE  16           HA       PHE  16  -2.862 -23.539 -23.539
  132   1HB   PHE  16           HB2      PHE  16  -5.257 -22.038 -22.038
  133   2HB   PHE  16           HB3      PHE  16  -5.523 -22.856 -22.856
  134    HD1  PHE  16           HD2      PHE  16  -3.131 -22.529 -22.529
  135    HD2  PHE  16           HD1      PHE  16  -4.928 -19.789 -19.789
  136    HE1  PHE  16           HE2      PHE  16  -2.040 -20.621 -20.621
  137    HE2  PHE  16           HE1      PHE  16  -3.836 -17.881 -17.881
  138   1HZ   PHE  16           HZ       PHE  16  -2.405 -18.320 -18.320
  139    H    ASN  17           HN       ASN  17  -4.066 -25.345 -25.345
  140    HA   ASN  17           HA       ASN  17  -5.867 -26.902 -26.902
  141   1HB   ASN  17           HB2      ASN  17  -6.393 -26.387 -26.387
  142   2HB   ASN  17           HB3      ASN  17  -4.977 -27.302 -27.302
  143   1HD2  ASN  17           HD2      ASN  17  -6.648 -30.312 -30.312
  144   2HD2  ASN  17           HD2      ASN  17  -5.400 -29.247 -29.247
  145    H    CYS  18           HN       CYS  18  -2.751 -27.102 -27.102
  146    HA   CYS  18           HA       CYS  18  -2.228 -29.665 -29.665
  147   1HB   CYS  18           HB2      CYS  18  -0.475 -29.958 -29.958
  148   2HB   CYS  18           HB3      CYS  18  -2.100 -29.859 -29.859
  149    H    GLY  19           HN       GLY  19  -1.075 -26.319 -26.319
  150   1HA   GLY  19           HA1      GLY  19   0.020 -25.190 -25.190
  151   2HA   GLY  19           HA2      GLY  19   0.873 -26.673 -26.673
  152    H    LYS  20           HN       LYS  20   0.787 -26.765 -26.765
  153    HA   LYS  20           HA       LYS  20   3.505 -25.959 -25.959
  154   1HB   LYS  20           HB2      LYS  20   1.958 -27.772 -27.772
  155   2HB   LYS  20           HB3      LYS  20   1.899 -26.461 -26.461
  156   1HG   LYS  20           HG2      LYS  20   4.520 -26.350 -26.350
  157   2HG   LYS  20           HG3      LYS  20   4.323 -27.968 -27.968
  158   1HD   LYS  20           HD2      LYS  20   4.039 -28.869 -28.869
  159   2HD   LYS  20           HD3      LYS  20   2.857 -27.657 -27.657
  160   1HE   LYS  20           HE2      LYS  20   5.761 -26.834 -26.834
  161   2HE   LYS  20           HE3      LYS  20   5.240 -27.802 -27.802
  162   1HZ   LYS  20           HZ1      LYS  20   4.635 -25.792 -25.792
  163   2HZ   LYS  20           HZ2      LYS  20   3.305 -25.936 -25.936
  164    H    GLU  21           HN       GLU  21   4.373 -24.047 -24.047
  165    HA   GLU  21           HA       GLU  21   2.491 -21.914 -21.914
  166   1HB   GLU  21           HB2      GLU  21   4.438 -20.441 -20.441
  167   2HB   GLU  21           HB3      GLU  21   4.451 -21.632 -21.632
  168   1HG   GLU  21           HG2      GLU  21   6.026 -23.045 -23.045
  169   2HG   GLU  21           HG3      GLU  21   6.106 -21.712 -21.712
  170    HE2  GLU  21           HE2      GLU  21   8.032 -22.154 -22.154
  171    H    GLY  22           HN       GLY  22   2.044 -20.886 -20.886
  172   1HA   GLY  22           HA1      GLY  22   3.297 -20.257 -20.257
  173   2HA   GLY  22           HA2      GLY  22   3.382 -21.991 -21.991
  174    H    HIS  23           HN       HIS  23   0.871 -22.857 -22.857
  175    HA   HIS  23           HA       HIS  23  -0.930 -21.462 -21.462
  176   1HB   HIS  23           HB2      HIS  23  -1.919 -23.537 -23.537
  177   2HB   HIS  23           HB3      HIS  23  -0.184 -23.722 -23.722
  178    HD1  HIS  23           HD1      HIS  23   1.050 -25.153 -25.153
  179    HD2  HIS  23           HD2      HIS  23  -3.143 -25.272 -25.272
  180    HE1  HIS  23           HE1      HIS  23   0.410 -27.136 -27.136
  181    H    ILE  24           HN       ILE  24  -3.319 -21.782 -21.782
  182    HA   ILE  24           HA       ILE  24  -3.521 -21.404 -21.404
  183    HB   ILE  24           HB       ILE  24  -5.760 -20.448 -20.448
  184   1HG1  ILE  24           HG1      ILE  24  -4.700 -20.510 -20.510
  185   2HG1  ILE  24           HG1      ILE  24  -5.898 -21.631 -21.631
  186   1HG2  ILE  24           HG2      ILE  24  -3.779 -19.072 -19.072
  187   2HG2  ILE  24           HG2      ILE  24  -3.341 -19.104 -19.104
  188   3HG2  ILE  24           HG2      ILE  24  -4.848 -18.314 -18.314
  189   1HD1  ILE  24           HD1      ILE  24  -6.214 -18.596 -18.596
  190   2HD1  ILE  24           HD1      ILE  24  -6.906 -19.653 -19.653
  191   3HD1  ILE  24           HD1      ILE  24  -7.448 -19.802 -19.802
  192    H    ALA  25           HN       ALA  25  -5.608 -22.270 -22.270
  193    HA   ALA  25           HA       ALA  25  -5.629 -25.036 -25.036
  194   1HB   ALA  25           HB1      ALA  25  -7.211 -22.928 -22.928
  195   2HB   ALA  25           HB2      ALA  25  -7.988 -24.521 -24.521
  196   3HB   ALA  25           HB3      ALA  25  -6.415 -24.382 -24.382
  197    H    LYS  26           HN       LYS  26  -7.702 -22.475 -22.475
  198    HA   LYS  26           HA       LYS  26  -9.576 -24.253 -24.253
  199   1HB   LYS  26           HB2      LYS  26  -9.866 -21.784 -21.784
  200   2HB   LYS  26           HB3      LYS  26  -8.839 -21.479 -21.479
  201   1HG   LYS  26           HG2      LYS  26 -10.778 -23.411 -23.411
  202   2HG   LYS  26           HG3      LYS  26 -11.658 -22.191 -22.191
  203   1HD   LYS  26           HD2      LYS  26 -11.625 -20.979 -20.979
  204   2HD   LYS  26           HD3      LYS  26  -9.957 -20.621 -20.621
  205   1HE   LYS  26           HE2      LYS  26 -10.176 -23.250 -23.250
  206   2HE   LYS  26           HE3      LYS  26 -10.892 -22.004 -22.004
  207   1HZ   LYS  26           HZ1      LYS  26  -8.510 -20.952 -20.952
  208   2HZ   LYS  26           HZ2      LYS  26  -8.148 -22.464 -22.464
  209    H    ASN  27           HN       ASN  27  -6.269 -23.527 -23.527
  210    HA   ASN  27           HA       ASN  27  -6.669 -24.631 -24.631
  211   1HB   ASN  27           HB2      ASN  27  -4.688 -22.719 -22.719
  212   2HB   ASN  27           HB3      ASN  27  -4.053 -23.809 -23.809
  213   1HD2  ASN  27           HD2      ASN  27  -5.172 -20.703 -20.703
  214   2HD2  ASN  27           HD2      ASN  27  -4.034 -21.153 -21.153
  215    H    CYS  28           HN       CYS  28  -6.385 -25.890 -25.890
  216    HA   CYS  28           HA       CYS  28  -3.876 -27.178 -27.178
  217   1HB   CYS  28           HB2      CYS  28  -5.303 -26.761 -26.761
  218   2HB   CYS  28           HB3      CYS  28  -6.413 -27.993 -27.993
  219    H    ARG  29           HN       ARG  29  -3.274 -28.693 -28.693
  220    HA   ARG  29           HA       ARG  29  -5.297 -30.014 -30.014
  221   1HB   ARG  29           HB2      ARG  29  -2.248 -30.096 -30.096
  222   2HB   ARG  29           HB3      ARG  29  -3.190 -31.164 -31.164
  223   1HG   ARG  29           HG2      ARG  29  -3.549 -29.502 -29.502
  224   2HG   ARG  29           HG3      ARG  29  -4.239 -28.472 -28.472
  225   1HD   ARG  29           HD2      ARG  29  -2.398 -27.171 -27.171
  226   2HD   ARG  29           HD3      ARG  29  -1.664 -28.142 -28.142
  227    HE   ARG  29           HE       ARG  29  -1.453 -29.465 -29.465
  228   1HH1  ARG  29           HH2      ARG  29  -0.017 -26.877 -26.877
  229   2HH1  ARG  29           HH2      ARG  29   1.522 -26.968 -26.968
  230    HH2  ARG  29           HH1      ARG  29   1.849 -28.568 -28.568
  231    H    ALA  30           HN       ALA  30  -4.137 -30.497 -30.497
  232    HA   ALA  30           HA       ALA  30  -3.219 -32.984 -32.984
  233   1HB   ALA  30           HB1      ALA  30  -5.382 -31.490 -31.490
  234   2HB   ALA  30           HB2      ALA  30  -4.641 -32.998 -32.998
  235   3HB   ALA  30           HB3      ALA  30  -3.638 -31.548 -31.548
  236    HA   PRO  31           HA       PRO  31  -6.409 -35.217 -35.217
  237   1HB   PRO  31           HB2      PRO  31  -4.870 -37.370 -37.370
  238   2HB   PRO  31           HB3      PRO  31  -5.030 -35.946 -35.946
  239   1HG   PRO  31           HG2      PRO  31  -2.753 -36.770 -36.770
  240   2HG   PRO  31           HG3      PRO  31  -2.779 -35.613 -35.613
  241   1HD   PRO  31           HD2      PRO  31  -2.727 -35.019 -35.019
  242   2HD   PRO  31           HD3      PRO  31  -2.871 -33.868 -33.868
  243    H    ARG  32           HN       ARG  32  -4.094 -36.823 -36.823
  244    HA   ARG  32           HA       ARG  32  -6.405 -37.850 -37.850
  245   1HB   ARG  32           HB2      ARG  32  -5.394 -40.120 -40.120
  246   2HB   ARG  32           HB3      ARG  32  -5.687 -39.672 -39.672
  247   1HG   ARG  32           HG2      ARG  32  -3.119 -38.692 -38.692
  248   2HG   ARG  32           HG3      ARG  32  -3.109 -40.120 -40.120
  249   1HD   ARG  32           HD2      ARG  32  -4.409 -40.781 -40.781
  250   2HD   ARG  32           HD3      ARG  32  -2.885 -39.991 -39.991
  251    HE   ARG  32           HE       ARG  32  -2.128 -41.762 -41.762
  252   1HH1  ARG  32           HH2      ARG  32  -4.074 -42.201 -42.201
  253   2HH1  ARG  32           HH2      ARG  32  -3.605 -43.855 -43.855
  254    HH2  ARG  32           HH1      ARG  32  -2.095 -44.858 -44.858
  255    H    LYS  33           HN       LYS  33  -5.709 -38.795 -38.795
  256    HA   LYS  33           HA       LYS  33  -3.215 -37.548 -37.548
  257   1HB   LYS  33           HB2      LYS  33  -5.705 -36.503 -36.503
  258   2HB   LYS  33           HB3      LYS  33  -5.411 -37.516 -37.516
  259   1HG   LYS  33           HG2      LYS  33  -3.099 -35.841 -35.841
  260   2HG   LYS  33           HG3      LYS  33  -4.457 -34.966 -34.966
  261   1HD   LYS  33           HD2      LYS  33  -3.552 -37.393 -37.393
  262   2HD   LYS  33           HD3      LYS  33  -2.458 -36.025 -36.025
  263   1HE   LYS  33           HE2      LYS  33  -5.347 -35.402 -35.402
  264   2HE   LYS  33           HE3      LYS  33  -4.518 -36.299 -36.299
  265   1HZ   LYS  33           HZ1      LYS  33  -3.611 -33.703 -33.703
  266   2HZ   LYS  33           HZ2      LYS  33  -4.254 -33.922 -33.922
  267    H    LYS  34           HN       LYS  34  -5.940 -39.719 -39.719
  268    HA   LYS  34           HA       LYS  34  -4.695 -41.149 -41.149
  269   1HB   LYS  34           HB2      LYS  34  -7.019 -41.391 -41.391
  270   2HB   LYS  34           HB3      LYS  34  -6.183 -42.909 -42.909
  271   1HG   LYS  34           HG2      LYS  34  -7.027 -43.567 -43.567
  272   2HG   LYS  34           HG3      LYS  34  -5.838 -42.509 -42.509
  273   1HD   LYS  34           HD2      LYS  34  -7.453 -40.635 -40.635
  274   2HD   LYS  34           HD3      LYS  34  -8.636 -41.612 -41.612
  275   1HE   LYS  34           HE2      LYS  34  -7.491 -42.317 -42.317
  276   2HE   LYS  34           HE3      LYS  34  -9.014 -41.484 -41.484
  277   1HZ   LYS  34           HZ1      LYS  34  -9.788 -43.615 -43.615
  278   2HZ   LYS  34           HZ2      LYS  34  -9.371 -43.598 -43.598
  279    H    GLY  35           HN       GLY  35  -2.788 -42.186 -42.186
  280   1HA   GLY  35           HA1      GLY  35  -1.614 -44.162 -44.162
  281   2HA   GLY  35           HA2      GLY  35  -1.687 -43.358 -43.358
  282    H    CYS  36           HN       CYS  36   0.302 -43.967 -43.967
  283    HA   CYS  36           HA       CYS  36   1.514 -41.591 -41.591
  284   1HB   CYS  36           HB2      CYS  36   1.910 -43.801 -43.801
  285   2HB   CYS  36           HB3      CYS  36   2.888 -44.269 -44.269
  286    H    TRP  37           HN       TRP  37   2.434 -40.093 -40.093
  287    HA   TRP  37           HA       TRP  37   3.300 -40.975 -40.975
  288   1HB   TRP  37           HB2      TRP  37   2.475 -38.417 -38.417
  289   2HB   TRP  37           HB3      TRP  37   3.708 -38.309 -38.309
  290    HD1  TRP  37           HD1      TRP  37   0.024 -39.426 -39.426
  291    HE1  TRP  37           HE1      TRP  37  -1.224 -39.459 -39.459
  292    HE3  TRP  37           HE3      TRP  37   4.150 -38.493 -38.493
  293    HZ2  TRP  37           HZ2      TRP  37  -0.365 -39.099 -39.099
  294    HZ3  TRP  37           HZ3      TRP  37   3.859 -38.350 -38.350
  295    HH2  TRP  37           HH2      TRP  37   1.698 -38.636 -38.636
  296    H    LYS  38           HN       LYS  38   4.641 -41.394 -41.394
  297    HA   LYS  38           HA       LYS  38   7.203 -40.129 -40.129
  298   1HB   LYS  38           HB2      LYS  38   6.008 -39.800 -39.800
  299   2HB   LYS  38           HB3      LYS  38   6.481 -41.450 -41.450
  300   1HG   LYS  38           HG2      LYS  38   8.543 -40.721 -40.721
  301   2HG   LYS  38           HG3      LYS  38   8.809 -40.187 -40.187
  302   1HD   LYS  38           HD2      LYS  38   7.212 -38.145 -38.145
  303   2HD   LYS  38           HD3      LYS  38   8.062 -38.596 -38.596
  304   1HE   LYS  38           HE2      LYS  38  10.215 -38.161 -38.161
  305   2HE   LYS  38           HE3      LYS  38   9.571 -38.152 -38.152
  306   1HZ   LYS  38           HZ1      LYS  38  10.009 -35.904 -35.904
  307   2HZ   LYS  38           HZ2      LYS  38   8.628 -36.053 -36.053
  308    H    CYS  39           HN       CYS  39   5.601 -43.257 -43.257
  309    HA   CYS  39           HA       CYS  39   8.050 -44.584 -44.584
  310   1HB   CYS  39           HB2      CYS  39   7.022 -46.609 -46.609
  311   2HB   CYS  39           HB3      CYS  39   7.599 -45.328 -45.328
  312    H    GLY  40           HN       GLY  40   4.627 -43.941 -43.941
  313   1HA   GLY  40           HA1      GLY  40   3.612 -44.181 -44.181
  314   2HA   GLY  40           HA2      GLY  40   4.802 -45.380 -45.380
  315    H    LYS  41           HN       LYS  41   3.711 -45.910 -45.910
  316    HA   LYS  41           HA       LYS  41   2.252 -48.237 -48.237
  317   1HB   LYS  41           HB2      LYS  41   3.850 -47.549 -47.549
  318   2HB   LYS  41           HB3      LYS  41   2.237 -47.827 -47.827
  319   1HG   LYS  41           HG2      LYS  41   3.594 -49.756 -49.756
  320   2HG   LYS  41           HG3      LYS  41   3.763 -49.897 -49.897
  321   1HD   LYS  41           HD2      LYS  41   1.343 -50.186 -50.186
  322   2HD   LYS  41           HD3      LYS  41   1.057 -49.831 -49.831
  323   1HE   LYS  41           HE2      LYS  41   0.972 -52.253 -52.253
  324   2HE   LYS  41           HE3      LYS  41   2.401 -51.865 -51.865
  325   1HZ   LYS  41           HZ1      LYS  41   3.279 -51.763 -51.763
  326   2HZ   LYS  41           HZ2      LYS  41   2.251 -53.025 -53.025
  327    H    GLU  42           HN       GLU  42   0.047 -48.573 -48.573
  328    HA   GLU  42           HA       GLU  42  -1.467 -46.163 -46.163
  329   1HB   GLU  42           HB2      GLU  42  -3.287 -47.316 -47.316
  330   2HB   GLU  42           HB3      GLU  42  -1.827 -47.615 -47.615
  331   1HG   GLU  42           HG2      GLU  42  -1.621 -49.776 -49.776
  332   2HG   GLU  42           HG3      GLU  42  -3.325 -49.511 -49.511
  333    HE2  GLU  42           HE2      GLU  42  -4.688 -49.710 -49.710
  334    H    GLY  43           HN       GLY  43  -2.162 -45.716 -45.716
  335   1HA   GLY  43           HA1      GLY  43  -3.934 -47.055 -47.055
  336   2HA   GLY  43           HA2      GLY  43  -2.453 -47.876 -47.876
  337    H    HIS  44           HN       HIS  44  -0.502 -46.008 -46.008
  338    HA   HIS  44           HA       HIS  44  -1.594 -44.183 -44.183
  339   1HB   HIS  44           HB2      HIS  44   0.516 -44.256 -44.256
  340   2HB   HIS  44           HB3      HIS  44   0.046 -45.909 -45.909
  341    HD1  HIS  44           HD1      HIS  44   1.629 -47.316 -47.316
  342    HD2  HIS  44           HD2      HIS  44   2.626 -43.242 -43.242
  343    HE1  HIS  44           HE1      HIS  44   3.904 -47.135 -47.135
  344    H    GLN  45           HN       GLN  45  -0.158 -42.091 -42.091
  345    HA   GLN  45           HA       GLN  45   0.371 -41.172 -41.172
  346   1HB   GLN  45           HB2      GLN  45  -0.221 -38.845 -38.845
  347   2HB   GLN  45           HB3      GLN  45  -1.496 -39.904 -39.904
  348   1HG   GLN  45           HG2      GLN  45  -1.729 -40.850 -40.850
  349   2HG   GLN  45           HG3      GLN  45  -0.468 -39.771 -39.771
  350   1HE2  GLN  45           HE2      GLN  45  -4.040 -38.470 -38.470
  351   2HE2  GLN  45           HE2      GLN  45  -3.331 -40.038 -40.038
  352    H    MET  46           HN       MET  46   1.735 -38.907 -38.907
  353    HA   MET  46           HA       MET  46   4.233 -39.676 -39.676
  354   1HB   MET  46           HB2      MET  46   3.178 -36.798 -36.798
  355   2HB   MET  46           HB3      MET  46   4.822 -37.308 -37.308
  356   1HG   MET  46           HG2      MET  46   3.245 -38.785 -38.785
  357   2HG   MET  46           HG3      MET  46   2.520 -37.190 -37.190
  358   1HE   MET  46           HE3      MET  46   3.312 -35.250 -35.250
  359   2HE   MET  46           HE1      MET  46   4.866 -34.806 -34.806
  360   3HE   MET  46           HE2      MET  46   3.639 -35.676 -35.676
  361    H    LYS  47           HN       LYS  47   1.885 -37.542 -37.542
  362    HA   LYS  47           HA       LYS  47   3.527 -37.088 -37.088
  363   1HB   LYS  47           HB2      LYS  47   1.327 -35.944 -35.944
  364   2HB   LYS  47           HB3      LYS  47   0.518 -37.196 -37.196
  365   1HG   LYS  47           HG2      LYS  47   0.786 -35.413 -35.413
  366   2HG   LYS  47           HG3      LYS  47   2.055 -36.544 -36.544
  367   1HD   LYS  47           HD2      LYS  47   3.553 -35.145 -35.145
  368   2HD   LYS  47           HD3      LYS  47   2.306 -33.921 -33.921
  369   1HE   LYS  47           HE2      LYS  47   2.565 -34.050 -34.050
  370   2HE   LYS  47           HE3      LYS  47   3.931 -35.119 -35.119
  371   1HZ   LYS  47           HZ1      LYS  47   4.601 -33.092 -33.092
  372   2HZ   LYS  47           HZ2      LYS  47   3.756 -32.260 -32.260
  373    H    ASP  48           HN       ASP  48   1.867 -39.945 -39.945
  374    HA   ASP  48           HA       ASP  48   2.364 -41.111 -41.111
  375   1HB   ASP  48           HB2      ASP  48   0.118 -41.485 -41.485
  376   2HB   ASP  48           HB3      ASP  48   0.589 -42.861 -42.861
  377    HD1  ASP  48           HD2      ASP  48  -0.139 -39.521 -39.521
  378    H    CYS  49           HN       CYS  49   4.349 -40.860 -40.860
  379    HA   CYS  49           HA       CYS  49   4.353 -43.294 -43.294
  380   1HB   CYS  49           HB2      CYS  49   5.257 -41.254 -41.254
  381   2HB   CYS  49           HB3      CYS  49   6.440 -41.109 -41.109
  382    H    THR  50           HN       THR  50   4.790 -45.193 -45.193
  383    HA   THR  50           HA       THR  50   6.444 -45.110 -45.110
  384    HB   THR  50           HB       THR  50   4.290 -46.388 -46.388
  385    HG1  THR  50           HG1      THR  50   6.663 -48.107 -48.107
  386   1HG2  THR  50           HG2      THR  50   5.411 -47.354 -47.354
  387   2HG2  THR  50           HG2      THR  50   5.178 -48.722 -48.722
  388   3HG2  THR  50           HG2      THR  50   3.802 -47.676 -47.676
  389    H    GLU  51           HN       GLU  51   7.175 -44.977 -44.977
  390    HA   GLU  51           HA       GLU  51   9.782 -45.709 -45.709
  391   1HB   GLU  51           HB2      GLU  51   9.884 -47.810 -47.810
  392   2HB   GLU  51           HB3      GLU  51   9.167 -48.029 -48.029
  393   1HG   GLU  51           HG2      GLU  51   7.341 -48.902 -48.902
  394   2HG   GLU  51           HG3      GLU  51   6.988 -47.302 -47.302
  395    HE2  GLU  51           HE2      GLU  51   6.915 -49.269 -49.269
  396    H    ARG  52           HN       ARG  52  10.915 -44.636 -44.636
  397    HA   ARG  52           HA       ARG  52   9.338 -43.782 -43.782
  398   1HB   ARG  52           HB2      ARG  52  10.355 -41.917 -41.917
  399   2HB   ARG  52           HB3      ARG  52  11.879 -42.756 -42.756
  400   1HG   ARG  52           HG2      ARG  52  12.390 -42.604 -42.604
  401   2HG   ARG  52           HG3      ARG  52  10.770 -42.055 -42.055
  402   1HD   ARG  52           HD2      ARG  52  11.135 -39.900 -39.900
  403   2HD   ARG  52           HD3      ARG  52  12.464 -40.445 -40.445
  404    HE   ARG  52           HE       ARG  52  13.921 -40.073 -40.073
  405   1HH1  ARG  52           HH2      ARG  52  10.626 -40.341 -40.341
  406   2HH1  ARG  52           HH2      ARG  52  11.085 -39.920 -39.920
  407    HH2  ARG  52           HH1      ARG  52  13.384 -39.440 -39.440
  408    H    GLN  53           HN       GLN  53   9.481 -45.431 -45.431
  409    HA   GLN  53           HA       GLN  53  10.388 -47.011 -47.011
  410   1HB   GLN  53           HB2      GLN  53  12.497 -45.887 -45.887
  411   2HB   GLN  53           HB3      GLN  53  10.824 -45.509 -45.509
  412   1HG   GLN  53           HG2      GLN  53  10.919 -43.579 -43.579
  413   2HG   GLN  53           HG3      GLN  53  12.593 -43.957 -43.957
  414   1HE2  GLN  53           HE2      GLN  53  13.557 -41.675 -41.675
  415   2HE2  GLN  53           HE2      GLN  53  13.546 -42.173 -42.173
  416    H    ALA  54           HN       ALA  54  13.637 -45.598 -45.598
  417    HA   ALA  54           HA       ALA  54  15.533 -46.326 -46.326
  418   1HB   ALA  54           HB1      ALA  54  14.201 -46.305 -46.305
  419   2HB   ALA  54           HB2      ALA  54  13.842 -48.028 -48.028
  420   3HB   ALA  54           HB3      ALA  54  15.523 -47.498 -47.498
  421    H    ASN  55           HN       ASN  55  13.377 -49.243 -49.243
  422    HA   ASN  55           HA       ASN  55  14.952 -50.439 -50.439
  423   1HB   ASN  55           HB2      ASN  55  14.989 -52.610 -52.610
  424   2HB   ASN  55           HB3      ASN  55  16.066 -51.340 -51.340
  425   1HD2  ASN  55           HD2      ASN  55  12.849 -52.598 -52.598
  426   2HD2  ASN  55           HD2      ASN  55  13.130 -53.107 -53.107

  Start of MODEL   29
    1    H    MET   1           HN       MET   1   1.884   0.000   0.000
    2    HA   MET   1           HA       MET   1   2.668  -0.914  -0.914
    3   1HB   MET   1           HB2      MET   1   1.658   0.061   0.061
    4   2HB   MET   1           HB3      MET   1   0.532  -0.919  -0.919
    5   1HG   MET   1           HG2      MET   1   0.459   1.875   1.875
    6   2HG   MET   1           HG3      MET   1   0.162   1.768   1.768
    7   1HE   MET   1           HE2      MET   1  -0.651   1.256   1.256
    8   2HE   MET   1           HE3      MET   1  -2.431   1.293   1.293
    9   3HE   MET   1           HE1      MET   1  -1.575  -0.264  -0.264
   10    H    GLN   2           HN       GLN   2   1.798   2.272   2.272
   11    HA   GLN   2           HA       GLN   2   4.407   3.182   3.182
   12   1HB   GLN   2           HB2      GLN   2   4.022   5.045   5.045
   13   2HB   GLN   2           HB3      GLN   2   3.919   3.460   3.460
   14   1HG   GLN   2           HG2      GLN   2   1.598   3.583   3.583
   15   2HG   GLN   2           HG3      GLN   2   1.371   4.660   4.660
   16   1HE2  GLN   2           HE2      GLN   2   2.321   7.654   7.654
   17   2HE2  GLN   2           HE2      GLN   2   2.470   6.837   6.837
   18    H    LYS   3           HN       LYS   3   3.106   3.066   3.066
   19    HA   LYS   3           HA       LYS   3   1.310   5.154   5.154
   20   1HB   LYS   3           HB2      LYS   3   2.881   3.165   3.165
   21   2HB   LYS   3           HB3      LYS   3   2.263   4.564   4.564
   22   1HG   LYS   3           HG2      LYS   3   0.487   3.013   3.013
   23   2HG   LYS   3           HG3      LYS   3  -0.019   4.036   4.036
   24   1HD   LYS   3           HD2      LYS   3  -0.363   1.933   1.933
   25   2HD   LYS   3           HD3      LYS   3   1.270   2.254   2.254
   26   1HE   LYS   3           HE2      LYS   3   1.210  -0.006  -0.006
   27   2HE   LYS   3           HE3      LYS   3   2.159   0.991   0.991
   28   1HZ   LYS   3           HZ1      LYS   3  -0.630   1.002   1.002
   29   2HZ   LYS   3           HZ2      LYS   3  -0.005  -0.501  -0.501
   30    H    GLY   4           HN       GLY   4   1.837   6.903   6.903
   31   1HA   GLY   4           HA1      GLY   4   3.535   8.777   8.777
   32   2HA   GLY   4           HA2      GLY   4   2.993   8.736   8.736
   33    H    ASN   5           HN       ASN   5   5.385   9.806   9.806
   34    HA   ASN   5           HA       ASN   5   7.009   7.935   7.935
   35   1HB   ASN   5           HB2      ASN   5   8.994   8.279   8.279
   36   2HB   ASN   5           HB3      ASN   5   7.755   7.133   7.133
   37   1HD2  ASN   5           HD2      ASN   5   6.436   8.991   8.991
   38   2HD2  ASN   5           HD2      ASN   5   6.171   7.727   7.727
   39    H    PHE   6           HN       PHE   6   7.027  10.943  10.943
   40    HA   PHE   6           HA       PHE   6   7.618  12.575  12.575
   41   1HB   PHE   6           HB2      PHE   6   9.804  11.311  11.311
   42   2HB   PHE   6           HB3      PHE   6   9.712  12.760  12.760
   43    HD1  PHE   6           HD2      PHE   6   9.802  15.013  15.013
   44    HD2  PHE   6           HD1      PHE   6  10.749  11.374  11.374
   45    HE1  PHE   6           HE2      PHE   6  11.034  16.292  16.292
   46    HE2  PHE   6           HE1      PHE   6  11.981  12.653  12.653
   47   1HZ   PHE   6           HZ       PHE   6  12.108  15.097  15.097
   48    H    ARG   7           HN       ARG   7   7.874  14.930  14.930
   49    HA   ARG   7           HA       ARG   7   6.811  16.581  16.581
   50   1HB   ARG   7           HB2      ARG   7   7.611  17.094  17.094
   51   2HB   ARG   7           HB3      ARG   7   8.902  16.266  16.266
   52   1HG   ARG   7           HG2      ARG   7   8.356  14.144  14.144
   53   2HG   ARG   7           HG3      ARG   7   6.919  14.839  14.839
   54   1HD   ARG   7           HD2      ARG   7   9.282  16.458  16.458
   55   2HD   ARG   7           HD3      ARG   7   9.528  14.790  14.790
   56    HE   ARG   7           HE       ARG   7   7.504  16.651  16.651
   57   1HH1  ARG   7           HH2      ARG   7   8.649  13.303  13.303
   58   2HH1  ARG   7           HH2      ARG   7   7.806  12.808  12.808
   59    HH2  ARG   7           HH1      ARG   7   6.484  14.409  14.409
   60    H    ASN   8           HN       ASN   8   5.748  16.866  16.866
   61    HA   ASN   8           HA       ASN   8   3.949  14.782  14.782
   62   1HB   ASN   8           HB2      ASN   8   3.037  17.083  17.083
   63   2HB   ASN   8           HB3      ASN   8   1.945  16.598  16.598
   64   1HD2  ASN   8           HD2      ASN   8   1.055  14.705  14.705
   65   2HD2  ASN   8           HD2      ASN   8   1.146  16.361  16.361
   66    H    GLN   9           HN       GLN   9   4.109  18.432  18.432
   67    HA   GLN   9           HA       GLN   9   2.951  18.870  18.870
   68   1HB   GLN   9           HB2      GLN   9   3.724  20.580  20.580
   69   2HB   GLN   9           HB3      GLN   9   5.348  20.416  20.416
   70   1HG   GLN   9           HG2      GLN   9   4.375  22.317  22.317
   71   2HG   GLN   9           HG3      GLN   9   4.428  21.027  21.027
   72   1HE2  GLN   9           HE2      GLN   9   1.057  21.153  21.153
   73   2HE2  GLN   9           HE2      GLN   9   2.690  20.804  20.804
   74    H    ARG  10           HN       ARG  10   3.398  18.207  18.207
   75    HA   ARG  10           HA       ARG  10   5.609  16.739  16.739
   76   1HB   ARG  10           HB2      ARG  10   3.774  18.389  18.389
   77   2HB   ARG  10           HB3      ARG  10   4.946  17.243  17.243
   78   1HG   ARG  10           HG2      ARG  10   3.435  15.925  15.925
   79   2HG   ARG  10           HG3      ARG  10   2.297  16.715  16.715
   80   1HD   ARG  10           HD2      ARG  10   2.549  14.847  14.847
   81   2HD   ARG  10           HD3      ARG  10   4.029  15.615  15.615
   82    HE   ARG  10           HE       ARG  10   5.291  14.108  14.108
   83   1HH1  ARG  10           HH2      ARG  10   1.848  13.792  13.792
   84   2HH1  ARG  10           HH2      ARG  10   2.061  12.337  12.337
   85    HH2  ARG  10           HH1      ARG  10   4.259  11.413  11.413
   86    H    LYS  11           HN       LYS  11   4.872  20.170  20.170
   87    HA   LYS  11           HA       LYS  11   7.565  20.549  20.549
   88   1HB   LYS  11           HB2      LYS  11   6.829  22.688  22.688
   89   2HB   LYS  11           HB3      LYS  11   5.534  21.562  21.562
   90   1HG   LYS  11           HG2      LYS  11   4.092  22.708  22.708
   91   2HG   LYS  11           HG3      LYS  11   5.180  22.593  22.593
   92   1HD   LYS  11           HD2      LYS  11   6.334  24.615  24.615
   93   2HD   LYS  11           HD3      LYS  11   5.665  24.617  24.617
   94   1HE   LYS  11           HE2      LYS  11   3.968  25.929  25.929
   95   2HE   LYS  11           HE3      LYS  11   3.412  24.607  24.607
   96   1HZ   LYS  11           HZ1      LYS  11   5.657  25.998  25.998
   97   2HZ   LYS  11           HZ2      LYS  11   4.370  26.973  26.973
   98    H    THR  12           HN       THR  12   8.599  22.802  22.802
   99    HA   THR  12           HA       THR  12   9.445  22.300  22.300
  100    HB   THR  12           HB       THR  12  10.773  23.506  23.506
  101    HG1  THR  12           HG1      THR  12  11.014  23.979  23.979
  102   1HG2  THR  12           HG2      THR  12   8.375  25.003  25.003
  103   2HG2  THR  12           HG2      THR  12   9.530  26.125  26.125
  104   3HG2  THR  12           HG2      THR  12   9.956  25.303  25.303
  105    H    VAL  13           HN       VAL  13   9.092  23.368  23.368
  106    HA   VAL  13           HA       VAL  13   6.413  24.549  24.549
  107    HB   VAL  13           HB       VAL  13   6.346  23.821  23.821
  108   1HG1  VAL  13           HG1      VAL  13   6.741  22.025  22.025
  109   2HG1  VAL  13           HG1      VAL  13   7.473  21.300  21.300
  110   3HG1  VAL  13           HG1      VAL  13   5.763  21.793  21.793
  111   1HG2  VAL  13           HG2      VAL  13   9.300  23.371  23.371
  112   2HG2  VAL  13           HG2      VAL  13   8.427  24.211  24.211
  113   3HG2  VAL  13           HG2      VAL  13   8.391  22.434  22.434
  114    H    LYS  14           HN       LYS  14   6.167  26.281  26.281
  115    HA   LYS  14           HA       LYS  14   8.605  27.909  27.909
  116   1HB   LYS  14           HB2      LYS  14   7.058  29.907  29.907
  117   2HB   LYS  14           HB3      LYS  14   7.363  28.958  28.958
  118   1HG   LYS  14           HG2      LYS  14   5.001  28.166  28.166
  119   2HG   LYS  14           HG3      LYS  14   4.865  29.654  29.654
  120   1HD   LYS  14           HD2      LYS  14   5.748  28.215  28.215
  121   2HD   LYS  14           HD3      LYS  14   5.302  26.835  26.835
  122   1HE   LYS  14           HE2      LYS  14   3.382  29.115  29.115
  123   2HE   LYS  14           HE3      LYS  14   3.487  27.636  27.636
  124   1HZ   LYS  14           HZ1      LYS  14   3.221  26.714  26.714
  125   2HZ   LYS  14           HZ2      LYS  14   2.283  28.044  28.044
  126    H    CYS  15           HN       CYS  15   9.151  28.564  28.564
  127    HA   CYS  15           HA       CYS  15   7.458  27.710  27.710
  128   1HB   CYS  15           HB2      CYS  15   9.855  27.415  27.415
  129   2HB   CYS  15           HB3      CYS  15  10.124  29.136  29.136
  130    H    PHE  16           HN       PHE  16   5.735  28.961  28.961
  131    HA   PHE  16           HA       PHE  16   5.739  31.770  31.770
  132   1HB   PHE  16           HB2      PHE  16   3.873  29.666  29.666
  133   2HB   PHE  16           HB3      PHE  16   3.600  30.575  30.575
  134    HD1  PHE  16           HD1      PHE  16   3.958  31.132  31.132
  135    HD2  PHE  16           HD2      PHE  16   2.108  32.338  32.338
  136    HE1  PHE  16           HE1      PHE  16   2.536  32.765  32.765
  137    HE2  PHE  16           HE2      PHE  16   0.685  33.970  33.970
  138   1HZ   PHE  16           HZ       PHE  16   0.916  34.165  34.165
  139    H    ASN  17           HN       ASN  17   7.402  30.261  30.261
  140    HA   ASN  17           HA       ASN  17   6.428  31.863  31.863
  141   1HB   ASN  17           HB2      ASN  17   6.991  29.364  29.364
  142   2HB   ASN  17           HB3      ASN  17   8.672  29.781  29.781
  143   1HD2  ASN  17           HD2      ASN  17   7.941  28.551  28.551
  144   2HD2  ASN  17           HD2      ASN  17   8.065  29.612  29.612
  145    H    CYS  18           HN       CYS  18   9.287  31.172  31.172
  146    HA   CYS  18           HA       CYS  18  10.608  33.513  33.513
  147   1HB   CYS  18           HB2      CYS  18  12.696  32.569  32.569
  148   2HB   CYS  18           HB3      CYS  18  11.963  31.593  31.593
  149    H    GLY  19           HN       GLY  19   9.597  31.767  31.767
  150   1HA   GLY  19           HA1      GLY  19   8.712  32.966  32.966
  151   2HA   GLY  19           HA2      GLY  19   9.756  34.322  34.322
  152    H    LYS  20           HN       LYS  20  11.016  31.007  31.007
  153    HA   LYS  20           HA       LYS  20  12.628  31.599  31.599
  154   1HB   LYS  20           HB2      LYS  20  13.263  30.587  30.587
  155   2HB   LYS  20           HB3      LYS  20  13.796  29.471  29.471
  156   1HG   LYS  20           HG2      LYS  20  14.873  31.441  31.441
  157   2HG   LYS  20           HG3      LYS  20  14.464  32.446  32.446
  158   1HD   LYS  20           HD2      LYS  20  15.976  29.866  29.866
  159   2HD   LYS  20           HD3      LYS  20  16.845  31.256  31.256
  160   1HE   LYS  20           HE2      LYS  20  15.051  31.864  31.864
  161   2HE   LYS  20           HE3      LYS  20  16.362  30.765  30.765
  162   1HZ   LYS  20           HZ1      LYS  20  17.709  32.543  32.543
  163   2HZ   LYS  20           HZ2      LYS  20  17.452  32.814  32.814
  164    H    GLU  21           HN       GLU  21  12.610  30.216  30.216
  165    HA   GLU  21           HA       GLU  21  10.498  28.281  28.281
  166   1HB   GLU  21           HB2      GLU  21  10.892  28.129  28.129
  167   2HB   GLU  21           HB3      GLU  21  10.753  29.804  29.804
  168   1HG   GLU  21           HG2      GLU  21  13.508  29.215  29.215
  169   2HG   GLU  21           HG3      GLU  21  13.037  28.411  28.411
  170    HE1  GLU  21           HE2      GLU  21  12.090  31.378  31.378
  171    H    GLY  22           HN       GLY  22  10.791  26.140  26.140
  172   1HA   GLY  22           HA1      GLY  22  12.535  24.385  24.385
  173   2HA   GLY  22           HA2      GLY  22  13.504  25.129  25.129
  174    H    HIS  23           HN       HIS  23  11.894  25.557  25.557
  175    HA   HIS  23           HA       HIS  23  10.808  22.888  22.888
  176   1HB   HIS  23           HB2      HIS  23  11.462  23.156  23.156
  177   2HB   HIS  23           HB3      HIS  23  12.852  23.434  23.434
  178    HD1  HIS  23           HD1      HIS  23  13.800  25.880  25.880
  179    HD2  HIS  23           HD2      HIS  23  10.588  25.390  25.390
  180    HE1  HIS  23           HE1      HIS  23  13.736  27.984  27.984
  181    H    ILE  24           HN       ILE  24   9.031  22.903  22.903
  182    HA   ILE  24           HA       ILE  24   7.192  25.047  25.047
  183    HB   ILE  24           HB       ILE  24   5.473  23.583  23.583
  184   1HG1  ILE  24           HG1      ILE  24   7.759  21.733  21.733
  185   2HG1  ILE  24           HG1      ILE  24   6.663  22.541  22.541
  186   1HG2  ILE  24           HG2      ILE  24   6.654  23.341  23.341
  187   2HG2  ILE  24           HG2      ILE  24   7.108  21.748  21.748
  188   3HG2  ILE  24           HG2      ILE  24   5.392  22.204  22.204
  189   1HD1  ILE  24           HD1      ILE  24   5.247  20.985  20.985
  190   2HD1  ILE  24           HD1      ILE  24   6.299  19.991  19.991
  191   3HD1  ILE  24           HD1      ILE  24   5.020  20.992  20.992
  192    H    ALA  25           HN       ALA  25   5.833  26.026  26.026
  193    HA   ALA  25           HA       ALA  25   7.432  27.123  27.123
  194   1HB   ALA  25           HB2      ALA  25   4.836  27.452  27.452
  195   2HB   ALA  25           HB3      ALA  25   4.607  27.156  27.156
  196   3HB   ALA  25           HB1      ALA  25   5.652  28.489  28.489
  197    H    LYS  26           HN       LYS  26   5.254  24.271  24.271
  198    HA   LYS  26           HA       LYS  26   5.253  23.861  23.861
  199   1HB   LYS  26           HB2      LYS  26   3.671  22.902  22.902
  200   2HB   LYS  26           HB3      LYS  26   4.931  21.759  21.759
  201   1HG   LYS  26           HG2      LYS  26   5.015  21.080  21.080
  202   2HG   LYS  26           HG3      LYS  26   3.607  22.089  22.089
  203   1HD   LYS  26           HD2      LYS  26   2.563  20.046  20.046
  204   2HD   LYS  26           HD3      LYS  26   2.586  20.695  20.695
  205   1HE   LYS  26           HE2      LYS  26   4.988  19.494  19.494
  206   2HE   LYS  26           HE3      LYS  26   4.305  18.522  18.522
  207   1HZ   LYS  26           HZ1      LYS  26   2.484  17.908  17.908
  208   2HZ   LYS  26           HZ2      LYS  26   2.962  18.931  18.931
  209    H    ASN  27           HN       ASN  27   7.715  23.509  23.509
  210    HA   ASN  27           HA       ASN  27   9.237  21.904  21.904
  211   1HB   ASN  27           HB2      ASN  27   8.645  21.194  21.194
  212   2HB   ASN  27           HB3      ASN  27  10.146  22.058  22.058
  213   1HD2  ASN  27           HD2      ASN  27  10.070  18.631  18.631
  214   2HD2  ASN  27           HD2      ASN  27   8.685  19.658  19.658
  215    H    CYS  28           HN       CYS  28   8.872  24.862  24.862
  216    HA   CYS  28           HA       CYS  28  11.177  25.961  25.961
  217   1HB   CYS  28           HB2      CYS  28   9.122  27.275  27.275
  218   2HB   CYS  28           HB3      CYS  28   9.203  27.182  27.182
  219    H    ARG  29           HN       ARG  29  13.209  25.635  25.635
  220    HA   ARG  29           HA       ARG  29  13.442  24.892  24.892
  221   1HB   ARG  29           HB2      ARG  29  15.345  25.106  25.106
  222   2HB   ARG  29           HB3      ARG  29  16.002  24.956  24.956
  223   1HG   ARG  29           HG2      ARG  29  14.962  22.820  22.820
  224   2HG   ARG  29           HG3      ARG  29  13.867  23.035  23.035
  225   1HD   ARG  29           HD2      ARG  29  16.901  22.813  22.813
  226   2HD   ARG  29           HD3      ARG  29  15.805  21.457  21.457
  227    HE   ARG  29           HE       ARG  29  15.185  23.803  23.803
  228   1HH1  ARG  29           HH2      ARG  29  16.766  20.638  20.638
  229   2HH1  ARG  29           HH2      ARG  29  16.802  20.408  20.408
  230    HH2  ARG  29           HH1      ARG  29  15.894  22.104  22.104
  231    H    ALA  30           HN       ALA  30  12.819  27.780  27.780
  232    HA   ALA  30           HA       ALA  30  14.755  29.579  29.579
  233   1HB   ALA  30           HB1      ALA  30  11.792  29.608  29.608
  234   2HB   ALA  30           HB2      ALA  30  12.799  31.047  31.047
  235   3HB   ALA  30           HB3      ALA  30  12.667  30.368  30.368
  236    HA   PRO  31           HA       PRO  31  15.845  29.472  29.472
  237   1HB   PRO  31           HB2      PRO  31  16.771  32.011  32.011
  238   2HB   PRO  31           HB3      PRO  31  17.718  30.758  30.758
  239   1HG   PRO  31           HG2      PRO  31  16.347  33.075  33.075
  240   2HG   PRO  31           HG3      PRO  31  17.622  32.076  32.076
  241   1HD   PRO  31           HD2      PRO  31  14.832  31.970  31.970
  242   2HD   PRO  31           HD3      PRO  31  16.088  30.895  30.895
  243    H    ARG  32           HN       ARG  32  13.374  31.507  31.507
  244    HA   ARG  32           HA       ARG  32  12.650  32.913  32.913
  245   1HB   ARG  32           HB2      ARG  32  10.354  32.774  32.774
  246   2HB   ARG  32           HB3      ARG  32  11.408  32.705  32.705
  247   1HG   ARG  32           HG2      ARG  32  10.438  30.746  30.746
  248   2HG   ARG  32           HG3      ARG  32  11.113  30.005  30.005
  249   1HD   ARG  32           HD2      ARG  32   8.679  29.681  29.681
  250   2HD   ARG  32           HD3      ARG  32   9.112  30.750  30.750
  251    HE   ARG  32           HE       ARG  32   8.600  32.562  32.562
  252   1HH1  ARG  32           HH2      ARG  32   6.762  29.720  29.720
  253   2HH1  ARG  32           HH2      ARG  32   5.230  30.388  30.388
  254    HH2  ARG  32           HH1      ARG  32   5.148  32.579  32.579
  255    H    LYS  33           HN       LYS  33  10.902  32.507  32.507
  256    HA   LYS  33           HA       LYS  33  10.536  29.758  29.758
  257   1HB   LYS  33           HB2      LYS  33  12.669  31.348  31.348
  258   2HB   LYS  33           HB3      LYS  33  11.491  30.924  30.924
  259   1HG   LYS  33           HG2      LYS  33  12.624  28.874  28.874
  260   2HG   LYS  33           HG3      LYS  33  13.382  29.220  29.220
  261   1HD   LYS  33           HD2      LYS  33  10.428  28.604  28.604
  262   2HD   LYS  33           HD3      LYS  33  11.542  27.275  27.275
  263   1HE   LYS  33           HE2      LYS  33  12.725  27.831  27.831
  264   2HE   LYS  33           HE3      LYS  33  11.679  29.216  29.216
  265   1HZ   LYS  33           HZ1      LYS  33  10.116  26.883  26.883
  266   2HZ   LYS  33           HZ2      LYS  33  11.167  26.615  26.615
  267    H    LYS  34           HN       LYS  34   9.647  30.274  30.274
  268    HA   LYS  34           HA       LYS  34   7.961  31.111  31.111
  269   1HB   LYS  34           HB2      LYS  34   7.630  33.303  33.303
  270   2HB   LYS  34           HB3      LYS  34   7.084  33.305  33.305
  271   1HG   LYS  34           HG2      LYS  34   9.120  33.970  33.970
  272   2HG   LYS  34           HG3      LYS  34   9.961  32.745  32.745
  273   1HD   LYS  34           HD2      LYS  34  10.755  34.471  34.471
  274   2HD   LYS  34           HD3      LYS  34   9.165  34.503  34.503
  275   1HE   LYS  34           HE2      LYS  34   8.396  36.244  36.244
  276   2HE   LYS  34           HE3      LYS  34   9.786  36.053  36.053
  277   1HZ   LYS  34           HZ1      LYS  34  11.202  36.876  36.876
  278   2HZ   LYS  34           HZ2      LYS  34   9.940  36.997  36.997
  279    H    GLY  35           HN       GLY  35   7.107  31.666  31.666
  280   1HA   GLY  35           HA1      GLY  35   5.596  30.550  30.550
  281   2HA   GLY  35           HA2      GLY  35   5.247  29.466  29.466
  282    H    CYS  36           HN       CYS  36   2.953  29.617  29.617
  283    HA   CYS  36           HA       CYS  36   1.655  32.115  32.115
  284   1HB   CYS  36           HB2      CYS  36   0.764  29.972  29.972
  285   2HB   CYS  36           HB3      CYS  36   0.496  29.416  29.416
  286    H    TRP  37           HN       TRP  37   1.528  33.519  33.519
  287    HA   TRP  37           HA       TRP  37   1.881  32.451  32.451
  288   1HB   TRP  37           HB2      TRP  37   2.465  34.928  34.928
  289   2HB   TRP  37           HB3      TRP  37   1.513  35.238  35.238
  290    HD1  TRP  37           HD1      TRP  37   4.911  33.670  33.670
  291    HE1  TRP  37           HE1      TRP  37   6.581  33.641  33.641
  292    HE3  TRP  37           HE3      TRP  37   1.542  35.282  35.282
  293    HZ2  TRP  37           HZ2      TRP  37   6.311  34.281  34.281
  294    HZ3  TRP  37           HZ3      TRP  37   2.327  35.553  35.553
  295    HH2  TRP  37           HH2      TRP  37   4.620  35.081  35.081
  296    H    LYS  38           HN       LYS  38  -0.600  32.263  32.263
  297    HA   LYS  38           HA       LYS  38  -2.543  33.504  33.504
  298   1HB   LYS  38           HB2      LYS  38  -2.466  34.043  34.043
  299   2HB   LYS  38           HB3      LYS  38  -3.120  32.436  32.436
  300   1HG   LYS  38           HG2      LYS  38  -5.196  33.034  33.034
  301   2HG   LYS  38           HG3      LYS  38  -4.549  33.924  33.924
  302   1HD   LYS  38           HD2      LYS  38  -4.867  35.893  35.893
  303   2HD   LYS  38           HD3      LYS  38  -3.867  35.363  35.363
  304   1HE   LYS  38           HE2      LYS  38  -5.775  35.429  35.429
  305   2HE   LYS  38           HE3      LYS  38  -6.207  33.930  33.930
  306   1HZ   LYS  38           HZ1      LYS  38  -6.953  35.854  35.854
  307   2HZ   LYS  38           HZ2      LYS  38  -7.345  36.536  36.536
  308    H    CYS  39           HN       CYS  39  -1.630  30.454  30.454
  309    HA   CYS  39           HA       CYS  39  -3.491  29.069  29.069
  310   1HB   CYS  39           HB2      CYS  39  -3.269  27.172  27.172
  311   2HB   CYS  39           HB3      CYS  39  -4.037  28.603  28.603
  312    H    GLY  40           HN       GLY  40  -0.145  29.671  29.671
  313   1HA   GLY  40           HA1      GLY  40   1.648  29.216  29.216
  314   2HA   GLY  40           HA2      GLY  40   0.742  27.930  27.930
  315    H    LYS  41           HN       LYS  41   0.047  27.454  27.454
  316    HA   LYS  41           HA       LYS  41   2.047  25.375  25.375
  317   1HB   LYS  41           HB2      LYS  41  -0.541  26.017  26.017
  318   2HB   LYS  41           HB3      LYS  41   0.614  24.981  24.981
  319   1HG   LYS  41           HG2      LYS  41   0.707  23.770  23.770
  320   2HG   LYS  41           HG3      LYS  41  -0.874  24.504  24.504
  321   1HD   LYS  41           HD2      LYS  41  -1.668  22.683  22.683
  322   2HD   LYS  41           HD3      LYS  41  -1.054  23.460  23.460
  323   1HE   LYS  41           HE2      LYS  41   0.916  21.859  21.859
  324   2HE   LYS  41           HE3      LYS  41  -0.311  20.956  20.956
  325   1HZ   LYS  41           HZ1      LYS  41   1.587  22.896  22.896
  326   2HZ   LYS  41           HZ2      LYS  41   1.575  21.285  21.285
  327    H    GLU  42           HN       GLU  42   3.692  25.257  25.257
  328    HA   GLU  42           HA       GLU  42   4.226  27.803  27.803
  329   1HB   GLU  42           HB2      GLU  42   6.518  27.196  27.196
  330   2HB   GLU  42           HB3      GLU  42   5.920  26.590  26.590
  331   1HG   GLU  42           HG2      GLU  42   5.496  24.342  24.342
  332   2HG   GLU  42           HG3      GLU  42   6.476  25.004  25.004
  333    HE2  GLU  42           HE2      GLU  42   8.749  23.349  23.349
  334    H    GLY  43           HN       GLY  43   5.219  27.731  27.731
  335   1HA   GLY  43           HA1      GLY  43   5.491  26.622  26.622
  336   2HA   GLY  43           HA2      GLY  43   4.316  25.415  25.415
  337    H    HIS  44           HN       HIS  44   2.909  28.165  28.165
  338    HA   HIS  44           HA       HIS  44   1.951  29.186  29.186
  339   1HB   HIS  44           HB2      HIS  44  -0.262  28.522  28.522
  340   2HB   HIS  44           HB3      HIS  44   0.609  27.071  27.071
  341    HD1  HIS  44           HD1      HIS  44   0.087  26.055  26.055
  342    HD2  HIS  44           HD2      HIS  44  -1.441  29.938  29.938
  343    HE1  HIS  44           HE1      HIS  44  -1.390  26.473  26.473
  344    H    GLN  45           HN       GLN  45  -0.194  30.694  30.694
  345    HA   GLN  45           HA       GLN  45   0.256  31.857  31.857
  346   1HB   GLN  45           HB2      GLN  45   1.733  32.977  32.977
  347   2HB   GLN  45           HB3      GLN  45   0.784  34.170  34.170
  348   1HG   GLN  45           HG2      GLN  45   2.082  32.498  32.498
  349   2HG   GLN  45           HG3      GLN  45   3.290  32.968  32.968
  350   1HE2  GLN  45           HE2      GLN  45   3.711  36.152  36.152
  351   2HE2  GLN  45           HE2      GLN  45   4.295  34.781  34.781
  352    H    MET  46           HN       MET  46  -0.832  34.414  34.414
  353    HA   MET  46           HA       MET  46  -3.470  33.945  33.945
  354   1HB   MET  46           HB2      MET  46  -3.625  36.458  36.458
  355   2HB   MET  46           HB3      MET  46  -2.610  36.071  36.071
  356   1HG   MET  46           HG2      MET  46  -0.714  35.917  35.917
  357   2HG   MET  46           HG3      MET  46  -1.811  37.011  37.011
  358   1HE   MET  46           HE1      MET  46   1.087  37.046  37.046
  359   2HE   MET  46           HE2      MET  46   0.910  38.760  38.760
  360   3HE   MET  46           HE3      MET  46   1.422  38.316  38.316
  361    H    LYS  47           HN       LYS  47  -1.291  34.793  34.793
  362    HA   LYS  47           HA       LYS  47  -3.012  35.352  35.352
  363   1HB   LYS  47           HB2      LYS  47  -0.335  34.554  34.554
  364   2HB   LYS  47           HB3      LYS  47  -1.043  33.416  33.416
  365   1HG   LYS  47           HG2      LYS  47  -1.593  36.391  36.391
  366   2HG   LYS  47           HG3      LYS  47  -0.115  35.702  35.702
  367   1HD   LYS  47           HD2      LYS  47  -1.593  33.988  33.988
  368   2HD   LYS  47           HD3      LYS  47  -2.972  34.961  34.961
  369   1HE   LYS  47           HE2      LYS  47  -0.576  36.060  36.060
  370   2HE   LYS  47           HE3      LYS  47  -2.049  35.495  35.495
  371   1HZ   LYS  47           HZ1      LYS  47  -1.997  37.940  37.940
  372   2HZ   LYS  47           HZ2      LYS  47  -3.291  37.204  37.204
  373    H    ASP  48           HN       ASP  48  -2.377  32.110  32.110
  374    HA   ASP  48           HA       ASP  48  -4.856  31.272  31.272
  375   1HB   ASP  48           HB2      ASP  48  -2.546  29.325  29.325
  376   2HB   ASP  48           HB3      ASP  48  -3.961  29.298  29.298
  377    HD2  ASP  48           HD2      ASP  48  -3.193  31.457  31.457
  378    H    CYS  49           HN       CYS  49  -4.423  32.107  32.107
  379    HA   CYS  49           HA       CYS  49  -3.786  29.826  29.826
  380   1HB   CYS  49           HB2      CYS  49  -3.178  32.044  32.044
  381   2HB   CYS  49           HB3      CYS  49  -4.846  32.576  32.576
  382    H    THR  50           HN       THR  50  -5.257  28.152  28.152
  383    HA   THR  50           HA       THR  50  -8.017  28.579  28.579
  384    HB   THR  50           HB       THR  50  -6.678  26.511  26.511
  385    HG1  THR  50           HG1      THR  50  -9.110  26.699  26.699
  386   1HG2  THR  50           HG2      THR  50  -6.812  26.149  26.149
  387   2HG2  THR  50           HG2      THR  50  -6.486  24.819  24.819
  388   3HG2  THR  50           HG2      THR  50  -5.343  26.177  26.177
  389    H    GLU  51           HN       GLU  51  -6.198  29.333  29.333
  390    HA   GLU  51           HA       GLU  51  -8.515  28.850  28.850
  391   1HB   GLU  51           HB2      GLU  51  -5.848  28.110  28.110
  392   2HB   GLU  51           HB3      GLU  51  -6.003  29.563  29.563
  393   1HG   GLU  51           HG2      GLU  51  -6.632  27.728  27.728
  394   2HG   GLU  51           HG3      GLU  51  -8.116  28.567  28.567
  395    HE1  GLU  51           HE2      GLU  51  -7.091  25.229  25.229
  396    H    ARG  52           HN       ARG  52  -9.531  30.820  30.820
  397    HA   ARG  52           HA       ARG  52  -8.236  33.196  33.196
  398   1HB   ARG  52           HB2      ARG  52  -8.349  33.157  33.157
  399   2HB   ARG  52           HB3      ARG  52 -10.093  33.011  33.011
  400   1HG   ARG  52           HG2      ARG  52 -10.371  35.209  35.209
  401   2HG   ARG  52           HG3      ARG  52  -8.724  35.301  35.301
  402   1HD   ARG  52           HD2      ARG  52  -8.806  34.863  34.863
  403   2HD   ARG  52           HD3      ARG  52  -9.681  36.311  36.311
  404    HE   ARG  52           HE       ARG  52  -6.829  35.993  35.993
  405   1HH1  ARG  52           HH2      ARG  52  -9.422  37.453  37.453
  406   2HH1  ARG  52           HH2      ARG  52  -8.399  38.675  38.675
  407    HH2  ARG  52           HH1      ARG  52  -6.085  38.746  38.746
  408    H    GLN  53           HN       GLN  53  -9.346  33.855  33.855
  409    HA   GLN  53           HA       GLN  53 -12.165  33.205  33.205
  410   1HB   GLN  53           HB2      GLN  53 -10.255  34.216  34.216
  411   2HB   GLN  53           HB3      GLN  53 -11.931  33.779  33.779
  412   1HG   GLN  53           HG2      GLN  53  -9.888  31.842  31.842
  413   2HG   GLN  53           HG3      GLN  53 -10.199  31.962  31.962
  414   1HE2  GLN  53           HE2      GLN  53 -12.898  29.820  29.820
  415   2HE2  GLN  53           HE2      GLN  53 -11.563  30.558  30.558
  416    H    ALA  54           HN       ALA  54 -12.428  34.963  34.963
  417    HA   ALA  54           HA       ALA  54 -12.680  37.567  37.567
  418   1HB   ALA  54           HB1      ALA  54 -10.859  37.496  37.496
  419   2HB   ALA  54           HB2      ALA  54 -12.065  37.030  37.030
  420   3HB   ALA  54           HB3      ALA  54 -12.170  38.621  38.621
  421    H    ASN  55           HN       ASN  55 -13.838  35.703  35.703
  422    HA   ASN  55           HA       ASN  55 -15.790  35.700  35.700
  423   1HB   ASN  55           HB2      ASN  55 -17.695  34.962  34.962
  424   2HB   ASN  55           HB3      ASN  55 -16.222  34.076  34.076
  425   1HD2  ASN  55           HD2      ASN  55 -18.000  36.510  36.510
  426   2HD2  ASN  55           HD2      ASN  55 -18.561  36.335  36.335

  Start of MODEL   30
    1    H    MET   1           HN       MET   1   1.884   0.000   0.000
    2    HA   MET   1           HA       MET   1   1.681   0.837   0.837
    3   1HB   MET   1           HB2      MET   1   4.130   0.154   0.154
    4   2HB   MET   1           HB3      MET   1   3.732   1.158   1.158
    5   1HG   MET   1           HG2      MET   1   4.258  -0.496  -0.496
    6   2HG   MET   1           HG3      MET   1   3.306  -1.684  -1.684
    7   1HE   MET   1           HE1      MET   1   4.643  -3.636  -3.636
    8   2HE   MET   1           HE2      MET   1   6.373  -3.815  -3.815
    9   3HE   MET   1           HE3      MET   1   5.869  -2.920  -2.920
   10    H    GLN   2           HN       GLN   2   1.704  -0.287  -0.287
   11    HA   GLN   2           HA       GLN   2   0.599  -2.820  -2.820
   12   1HB   GLN   2           HB2      GLN   2   1.102  -0.811  -0.811
   13   2HB   GLN   2           HB3      GLN   2   2.060  -2.158  -2.158
   14   1HG   GLN   2           HG2      GLN   2  -0.659  -2.933  -2.933
   15   2HG   GLN   2           HG3      GLN   2  -0.663  -1.828  -1.828
   16   1HE2  GLN   2           HE2      GLN   2   0.805  -4.023  -4.023
   17   2HE2  GLN   2           HE2      GLN   2   0.534  -2.370  -2.370
   18    H    LYS   3           HN       LYS   3   1.673  -4.714  -4.714
   19    HA   LYS   3           HA       LYS   3   3.851  -5.626  -5.626
   20   1HB   LYS   3           HB2      LYS   3   2.263  -6.556  -6.556
   21   2HB   LYS   3           HB3      LYS   3   3.866  -7.246  -7.246
   22   1HG   LYS   3           HG2      LYS   3   3.392  -8.022  -8.022
   23   2HG   LYS   3           HG3      LYS   3   1.884  -7.131  -7.131
   24   1HD   LYS   3           HD2      LYS   3   1.021  -9.196  -9.196
   25   2HD   LYS   3           HD3      LYS   3   1.354  -8.606  -8.606
   26   1HE   LYS   3           HE2      LYS   3   3.767  -9.806  -9.806
   27   2HE   LYS   3           HE3      LYS   3   2.433 -10.934 -10.934
   28   1HZ   LYS   3           HZ1      LYS   3   2.473 -11.261 -11.261
   29   2HZ   LYS   3           HZ2      LYS   3   2.421  -9.671  -9.671
   30    H    GLY   4           HN       GLY   4   3.743  -4.770  -4.770
   31   1HA   GLY   4           HA1      GLY   4   6.548  -4.728  -4.728
   32   2HA   GLY   4           HA2      GLY   4   5.364  -4.049  -4.049
   33    H    ASN   5           HN       ASN   5   7.680  -3.395  -3.395
   34    HA   ASN   5           HA       ASN   5   6.881  -0.591  -0.591
   35   1HB   ASN   5           HB2      ASN   5   7.079  -2.121  -2.121
   36   2HB   ASN   5           HB3      ASN   5   8.750  -1.605  -1.605
   37   1HD2  ASN   5           HD2      ASN   5   5.740   0.942   0.942
   38   2HD2  ASN   5           HD2      ASN   5   5.473  -0.691  -0.691
   39    H    PHE   6           HN       PHE   6   8.558   0.947   0.947
   40    HA   PHE   6           HA       PHE   6  11.280   0.015   0.015
   41   1HB   PHE   6           HB2      PHE   6  11.136   1.086   1.086
   42   2HB   PHE   6           HB3      PHE   6  10.730  -0.600  -0.600
   43    HD1  PHE   6           HD1      PHE   6   9.207   2.782   2.782
   44    HD2  PHE   6           HD2      PHE   6   8.613  -1.404  -1.404
   45    HE1  PHE   6           HE1      PHE   6   6.923   3.189   3.189
   46    HE2  PHE   6           HE2      PHE   6   6.329  -0.997  -0.997
   47   1HZ   PHE   6           HZ       PHE   6   5.511   1.295   1.295
   48    H    ARG   7           HN       ARG   7  10.215   1.872   1.872
   49    HA   ARG   7           HA       ARG   7  11.807   4.062   4.062
   50   1HB   ARG   7           HB2      ARG   7   9.536   4.358   4.358
   51   2HB   ARG   7           HB3      ARG   7   8.940   4.995   4.995
   52   1HG   ARG   7           HG2      ARG   7  11.487   6.187   6.187
   53   2HG   ARG   7           HG3      ARG   7  10.801   6.210   6.210
   54   1HD   ARG   7           HD2      ARG   7   8.870   6.993   6.993
   55   2HD   ARG   7           HD3      ARG   7  10.250   8.066   8.066
   56    HE   ARG   7           HE       ARG   7   9.575   8.700   8.700
   57   1HH1  ARG   7           HH2      ARG   7   7.533   6.076   6.076
   58   2HH1  ARG   7           HH2      ARG   7   6.339   6.260   6.260
   59    HH2  ARG   7           HH1      ARG   7   6.634   7.951   7.951
   60    H    ASN   8           HN       ASN   8  11.983   5.433   5.433
   61    HA   ASN   8           HA       ASN   8  10.132   5.500   5.500
   62   1HB   ASN   8           HB2      ASN   8  11.113   2.985   2.985
   63   2HB   ASN   8           HB3      ASN   8  12.428   3.753   3.753
   64   1HD2  ASN   8           HD2      ASN   8   8.656   3.382   3.382
   65   2HD2  ASN   8           HD2      ASN   8   8.974   3.138   3.138
   66    H    GLN   9           HN       GLN   9  10.769   7.306   7.306
   67    HA   GLN   9           HA       GLN   9  12.040   8.783   8.783
   68   1HB   GLN   9           HB2      GLN   9  13.563   6.761   6.761
   69   2HB   GLN   9           HB3      GLN   9  14.557   7.281   7.281
   70   1HG   GLN   9           HG2      GLN   9  15.521   8.300   8.300
   71   2HG   GLN   9           HG3      GLN   9  14.684   9.589   9.589
   72   1HE2  GLN   9           HE2      GLN   9  13.811   9.986   9.986
   73   2HE2  GLN   9           HE2      GLN   9  15.188  10.120  10.120
   74    H    ARG  10           HN       ARG  10  13.762   7.562   7.562
   75    HA   ARG  10           HA       ARG  10  13.141   9.841   9.841
   76   1HB   ARG  10           HB2      ARG  10  15.506  10.070  10.070
   77   2HB   ARG  10           HB3      ARG  10  15.987  10.150  10.150
   78   1HG   ARG  10           HG2      ARG  10  13.693  11.816  11.816
   79   2HG   ARG  10           HG3      ARG  10  15.350  12.385  12.385
   80   1HD   ARG  10           HD2      ARG  10  15.002  13.125  13.125
   81   2HD   ARG  10           HD3      ARG  10  14.941  11.450  11.450
   82    HE   ARG  10           HE       ARG  10  12.409  12.475  12.475
   83   1HH1  ARG  10           HH2      ARG  10  14.346  11.980  11.980
   84   2HH1  ARG  10           HH2      ARG  10  12.983  12.058  12.058
   85    HH2  ARG  10           HH1      ARG  10  10.796  12.411  12.411
   86    H    LYS  11           HN       LYS  11  12.688   8.355   8.355
   87    HA   LYS  11           HA       LYS  11  13.033   6.754   6.754
   88   1HB   LYS  11           HB2      LYS  11  14.343   7.534   7.534
   89   2HB   LYS  11           HB3      LYS  11  14.424   8.952   8.952
   90   1HG   LYS  11           HG2      LYS  11  16.476   7.529   7.529
   91   2HG   LYS  11           HG3      LYS  11  16.519   6.867   6.867
   92   1HD   LYS  11           HD2      LYS  11  16.281   9.853   9.853
   93   2HD   LYS  11           HD3      LYS  11  17.815   9.155   9.155
   94   1HE   LYS  11           HE2      LYS  11  16.498   8.412   8.412
   95   2HE   LYS  11           HE3      LYS  11  17.517   9.830   9.830
   96   1HZ   LYS  11           HZ1      LYS  11  18.985   8.123   8.123
   97   2HZ   LYS  11           HZ2      LYS  11  19.216   8.196   8.196
   98    H    THR  12           HN       THR  12  15.299   5.371   5.371
   99    HA   THR  12           HA       THR  12  16.281   3.412   3.412
  100    HB   THR  12           HB       THR  12  18.090   3.717   3.717
  101    HG1  THR  12           HG1      THR  12  17.544   5.354   5.354
  102   1HG2  THR  12           HG2      THR  12  17.967   4.872   4.872
  103   2HG2  THR  12           HG2      THR  12  18.160   6.304   6.304
  104   3HG2  THR  12           HG2      THR  12  19.369   4.999   4.999
  105    H    VAL  13           HN       VAL  13  17.087   2.054   2.054
  106    HA   VAL  13           HA       VAL  13  14.794   1.923   1.923
  107    HB   VAL  13           HB       VAL  13  14.443  -0.464  -0.464
  108   1HG1  VAL  13           HG1      VAL  13  13.211   1.481   1.481
  109   2HG1  VAL  13           HG1      VAL  13  14.113   0.945   0.945
  110   3HG1  VAL  13           HG1      VAL  13  13.008  -0.179  -0.179
  111   1HG2  VAL  13           HG2      VAL  13  16.883  -0.397  -0.397
  112   2HG2  VAL  13           HG2      VAL  13  15.705  -1.728  -1.728
  113   3HG2  VAL  13           HG2      VAL  13  15.740  -0.484  -0.484
  114    H    LYS  14           HN       LYS  14  15.250   0.043   0.043
  115    HA   LYS  14           HA       LYS  14  18.126  -0.237  -0.237
  116   1HB   LYS  14           HB2      LYS  14  17.996   0.512   0.512
  117   2HB   LYS  14           HB3      LYS  14  17.456   1.789   1.789
  118   1HG   LYS  14           HG2      LYS  14  15.268  -0.013  -0.013
  119   2HG   LYS  14           HG3      LYS  14  16.049   0.835   0.835
  120   1HD   LYS  14           HD2      LYS  14  15.762   2.837   2.837
  121   2HD   LYS  14           HD3      LYS  14  14.300   1.893   1.893
  122   1HE   LYS  14           HE2      LYS  14  13.552   2.314   2.314
  123   2HE   LYS  14           HE3      LYS  14  15.167   2.633   2.633
  124   1HZ   LYS  14           HZ1      LYS  14  15.131   4.774   4.774
  125   2HZ   LYS  14           HZ2      LYS  14  14.056   4.444   4.444
  126    H    CYS  15           HN       CYS  15  18.721  -2.159  -2.159
  127    HA   CYS  15           HA       CYS  15  16.647  -4.145  -4.145
  128   1HB   CYS  15           HB2      CYS  15  18.805  -4.666  -4.666
  129   2HB   CYS  15           HB3      CYS  15  19.617  -4.322  -4.322
  130    H    PHE  16           HN       PHE  16  15.350  -4.372  -4.372
  131    HA   PHE  16           HA       PHE  16  16.310  -3.418  -3.418
  132   1HB   PHE  16           HB2      PHE  16  13.825  -3.854  -3.854
  133   2HB   PHE  16           HB3      PHE  16  13.764  -4.876  -4.876
  134    HD1  PHE  16           HD1      PHE  16  14.694  -3.551  -3.551
  135    HD2  PHE  16           HD2      PHE  16  12.863  -1.783  -1.783
  136    HE1  PHE  16           HE1      PHE  16  14.023  -1.573  -1.573
  137    HE2  PHE  16           HE2      PHE  16  12.192   0.195   0.195
  138   1HZ   PHE  16           HZ       PHE  16  12.780   0.276   0.276
  139    H    ASN  17           HN       ASN  17  17.247  -6.032  -6.032
  140    HA   ASN  17           HA       ASN  17  16.599  -7.891  -7.891
  141   1HB   ASN  17           HB2      ASN  17  16.286  -8.517  -8.517
  142   2HB   ASN  17           HB3      ASN  17  18.030  -8.465  -8.465
  143   1HD2  ASN  17           HD2      ASN  17  17.811 -11.928 -11.928
  144   2HD2  ASN  17           HD2      ASN  17  17.933 -10.671 -10.671
  145    H    CYS  18           HN       CYS  18  19.276  -6.379  -6.379
  146    HA   CYS  18           HA       CYS  18  21.164  -7.403  -7.403
  147   1HB   CYS  18           HB2      CYS  18  22.910  -6.945  -6.945
  148   2HB   CYS  18           HB3      CYS  18  21.754  -8.171  -8.171
  149    H    GLY  19           HN       GLY  19  19.890  -4.560  -4.560
  150   1HA   GLY  19           HA1      GLY  19  19.667  -2.468  -2.468
  151   2HA   GLY  19           HA2      GLY  19  21.054  -2.821  -2.821
  152    H    LYS  20           HN       LYS  20  21.098  -3.609  -3.609
  153    HA   LYS  20           HA       LYS  20  23.088  -1.483  -1.483
  154   1HB   LYS  20           HB2      LYS  20  23.485  -4.109  -4.109
  155   2HB   LYS  20           HB3      LYS  20  22.847  -3.743  -3.743
  156   1HG   LYS  20           HG2      LYS  20  25.213  -3.425  -3.425
  157   2HG   LYS  20           HG3      LYS  20  24.539  -1.809  -1.809
  158   1HD   LYS  20           HD2      LYS  20  25.985  -1.423  -1.423
  159   2HD   LYS  20           HD3      LYS  20  24.924  -2.409  -2.409
  160   1HE   LYS  20           HE2      LYS  20  26.941  -3.853  -3.853
  161   2HE   LYS  20           HE3      LYS  20  27.552  -2.981  -2.981
  162   1HZ   LYS  20           HZ1      LYS  20  26.985  -4.927  -4.927
  163   2HZ   LYS  20           HZ2      LYS  20  25.504  -4.257  -4.257
  164    H    GLU  21           HN       GLU  21  22.672   0.191   0.191
  165    HA   GLU  21           HA       GLU  21  20.082   0.301   0.301
  166   1HB   GLU  21           HB2      GLU  21  20.815   2.576   2.576
  167   2HB   GLU  21           HB3      GLU  21  21.051   2.315   2.315
  168   1HG   GLU  21           HG2      GLU  21  23.353   2.355   2.355
  169   2HG   GLU  21           HG3      GLU  21  23.368   1.532   1.532
  170    HE1  GLU  21           HE2      GLU  21  23.455   3.684   3.684
  171    H    GLY  22           HN       GLY  22  19.469   0.154   0.154
  172   1HA   GLY  22           HA1      GLY  22  20.418   0.422   0.422
  173   2HA   GLY  22           HA2      GLY  22  21.596  -0.779  -0.779
  174    H    HIS  23           HN       HIS  23  19.922  -2.493  -2.493
  175    HA   HIS  23           HA       HIS  23  17.992  -3.398  -3.398
  176   1HB   HIS  23           HB2      HIS  23  18.668  -5.640  -5.640
  177   2HB   HIS  23           HB3      HIS  23  20.140  -4.717  -4.717
  178    HD1  HIS  23           HD1      HIS  23  21.577  -4.237  -4.237
  179    HD2  HIS  23           HD2      HIS  23  18.568  -7.145  -7.145
  180    HE1  HIS  23           HE1      HIS  23  22.083  -5.585  -5.585
  181    H    ILE  24           HN       ILE  24  16.367  -5.017  -5.017
  182    HA   ILE  24           HA       ILE  24  15.638  -3.899  -3.899
  183    HB   ILE  24           HB       ILE  24  13.356  -4.736  -4.736
  184   1HG1  ILE  24           HG1      ILE  24  14.566  -5.093  -5.093
  185   2HG1  ILE  24           HG1      ILE  24  14.091  -6.399  -6.399
  186   1HG2  ILE  24           HG2      ILE  24  14.560  -2.367  -2.367
  187   2HG2  ILE  24           HG2      ILE  24  14.030  -2.826  -2.826
  188   3HG2  ILE  24           HG2      ILE  24  12.842  -2.709  -2.709
  189   1HD1  ILE  24           HD1      ILE  24  11.745  -5.333  -5.333
  190   2HD1  ILE  24           HD1      ILE  24  12.297  -4.300  -4.300
  191   3HD1  ILE  24           HD1      ILE  24  12.237  -6.067  -6.067
  192    H    ALA  25           HN       ALA  25  14.330  -5.543  -5.543
  193    HA   ALA  25           HA       ALA  25  16.061  -7.632  -7.632
  194   1HB   ALA  25           HB2      ALA  25  13.153  -7.081  -7.081
  195   2HB   ALA  25           HB3      ALA  25  14.147  -8.339  -8.339
  196   3HB   ALA  25           HB1      ALA  25  14.597  -6.625  -6.625
  197    H    LYS  26           HN       LYS  26  13.093  -7.461  -7.461
  198    HA   LYS  26           HA       LYS  26  12.849 -10.251 -10.251
  199   1HB   LYS  26           HB2      LYS  26  11.010  -8.630  -8.630
  200   2HB   LYS  26           HB3      LYS  26  11.824  -7.988  -7.988
  201   1HG   LYS  26           HG2      LYS  26  11.816 -10.428 -10.428
  202   2HG   LYS  26           HG3      LYS  26  10.678 -10.783 -10.783
  203   1HD   LYS  26           HD2      LYS  26   9.061 -10.100 -10.100
  204   2HD   LYS  26           HD3      LYS  26   9.589  -8.469  -8.469
  205   1HE   LYS  26           HE2      LYS  26   9.667  -8.581  -8.581
  206   2HE   LYS  26           HE3      LYS  26  11.340  -8.773  -8.773
  207   1HZ   LYS  26           HZ1      LYS  26  10.255 -11.327 -11.327
  208   2HZ   LYS  26           HZ2      LYS  26   9.706 -10.626 -10.626
  209    H    ASN  27           HN       ASN  27  15.082  -7.899  -7.899
  210    HA   ASN  27           HA       ASN  27  15.788  -9.736  -9.736
  211   1HB   ASN  27           HB2      ASN  27  15.466  -6.918  -6.918
  212   2HB   ASN  27           HB3      ASN  27  17.203  -7.147  -7.147
  213   1HD2  ASN  27           HD2      ASN  27  17.126  -7.438  -7.438
  214   2HD2  ASN  27           HD2      ASN  27  17.705  -6.639  -6.639
  215    H    CYS  28           HN       CYS  28  16.420  -9.687  -9.687
  216    HA   CYS  28           HA       CYS  28  19.205  -9.062  -9.062
  217   1HB   CYS  28           HB2      CYS  28  17.663  -8.773  -8.773
  218   2HB   CYS  28           HB3      CYS  28  17.479 -10.514 -10.514
  219    H    ARG  29           HN       ARG  29  20.684 -10.403 -10.403
  220    HA   ARG  29           HA       ARG  29  19.946 -13.120 -13.120
  221   1HB   ARG  29           HB2      ARG  29  22.086 -13.220 -13.220
  222   2HB   ARG  29           HB3      ARG  29  21.138 -11.826 -11.826
  223   1HG   ARG  29           HG2      ARG  29  22.503 -10.329 -10.329
  224   2HG   ARG  29           HG3      ARG  29  23.327 -11.676 -11.676
  225   1HD   ARG  29           HD2      ARG  29  24.908 -11.132 -11.132
  226   2HD   ARG  29           HD3      ARG  29  23.967 -12.300 -12.300
  227    HE   ARG  29           HE       ARG  29  22.653  -9.931  -9.931
  228   1HH1  ARG  29           HH2      ARG  29  26.048 -10.913 -10.913
  229   2HH1  ARG  29           HH2      ARG  29  26.395  -9.828  -9.828
  230    HH2  ARG  29           HH1      ARG  29  24.653  -8.418  -8.418
  231    H    ALA  30           HN       ALA  30  21.157 -11.462 -11.462
  232    HA   ALA  30           HA       ALA  30  23.403 -12.588 -12.588
  233   1HB   ALA  30           HB2      ALA  30  22.059 -10.938 -10.938
  234   2HB   ALA  30           HB3      ALA  30  20.812 -12.168 -12.168
  235   3HB   ALA  30           HB1      ALA  30  22.429 -12.332 -12.332
  236    HA   PRO  31           HA       PRO  31  22.220 -16.851 -16.851
  237   1HB   PRO  31           HB2      PRO  31  24.747 -17.851 -17.851
  238   2HB   PRO  31           HB3      PRO  31  23.744 -17.366 -17.366
  239   1HG   PRO  31           HG2      PRO  31  26.065 -15.967 -15.967
  240   2HG   PRO  31           HG3      PRO  31  25.328 -15.736 -15.736
  241   1HD   PRO  31           HD2      PRO  31  25.029 -14.048 -14.048
  242   2HD   PRO  31           HD3      PRO  31  24.203 -13.882 -13.882
  243    H    ARG  32           HN       ARG  32  21.532 -16.250 -16.250
  244    HA   ARG  32           HA       ARG  32  23.310 -17.782 -17.782
  245   1HB   ARG  32           HB2      ARG  32  22.771 -16.179 -16.179
  246   2HB   ARG  32           HB3      ARG  32  23.700 -15.441 -15.441
  247   1HG   ARG  32           HG2      ARG  32  21.291 -14.822 -14.822
  248   2HG   ARG  32           HG3      ARG  32  20.777 -15.066 -15.066
  249   1HD   ARG  32           HD2      ARG  32  23.094 -13.230 -13.230
  250   2HD   ARG  32           HD3      ARG  32  21.445 -12.665 -12.665
  251    HE   ARG  32           HE       ARG  32  23.246 -13.538 -13.538
  252   1HH1  ARG  32           HH2      ARG  32  19.930 -12.702 -12.702
  253   2HH1  ARG  32           HH2      ARG  32  19.423 -12.387 -12.387
  254    HH2  ARG  32           HH1      ARG  32  20.995 -12.640 -12.640
  255    H    LYS  33           HN       LYS  33  20.039 -16.315 -16.315
  256    HA   LYS  33           HA       LYS  33  18.747 -18.746 -18.746
  257   1HB   LYS  33           HB2      LYS  33  17.724 -18.280 -18.280
  258   2HB   LYS  33           HB3      LYS  33  19.434 -17.974 -17.974
  259   1HG   LYS  33           HG2      LYS  33  18.861 -15.917 -15.917
  260   2HG   LYS  33           HG3      LYS  33  18.461 -15.495 -15.495
  261   1HD   LYS  33           HD2      LYS  33  16.183 -16.877 -16.877
  262   2HD   LYS  33           HD3      LYS  33  16.658 -16.099 -16.099
  263   1HE   LYS  33           HE2      LYS  33  16.989 -14.038 -14.038
  264   2HE   LYS  33           HE3      LYS  33  15.610 -14.892 -14.892
  265   1HZ   LYS  33           HZ1      LYS  33  14.391 -14.545 -14.545
  266   2HZ   LYS  33           HZ2      LYS  33  15.700 -14.194 -14.194
  267    H    LYS  34           HN       LYS  34  16.253 -18.332 -18.332
  268    HA   LYS  34           HA       LYS  34  15.309 -15.874 -15.874
  269   1HB   LYS  34           HB2      LYS  34  16.537 -17.494 -17.494
  270   2HB   LYS  34           HB3      LYS  34  14.811 -17.668 -17.668
  271   1HG   LYS  34           HG2      LYS  34  16.151 -14.951 -14.951
  272   2HG   LYS  34           HG3      LYS  34  15.937 -15.695 -15.695
  273   1HD   LYS  34           HD2      LYS  34  13.783 -14.996 -14.996
  274   2HD   LYS  34           HD3      LYS  34  13.414 -15.835 -15.835
  275   1HE   LYS  34           HE2      LYS  34  14.873 -13.176 -13.176
  276   2HE   LYS  34           HE3      LYS  34  13.136 -13.203 -13.203
  277   1HZ   LYS  34           HZ1      LYS  34  14.672 -14.027 -14.027
  278   2HZ   LYS  34           HZ2      LYS  34  13.252 -13.231 -13.231
  279    H    GLY  35           HN       GLY  35  14.510 -19.325 -19.325
  280   1HA   GLY  35           HA1      GLY  35  12.295 -19.220 -19.220
  281   2HA   GLY  35           HA2      GLY  35  11.894 -19.418 -19.418
  282    H    CYS  36           HN       CYS  36  11.008 -21.500 -21.500
  283    HA   CYS  36           HA       CYS  36  13.089 -23.471 -23.471
  284   1HB   CYS  36           HB2      CYS  36  11.157 -23.253 -23.253
  285   2HB   CYS  36           HB3      CYS  36  10.093 -23.775 -23.775
  286    H    TRP  37           HN       TRP  37  13.830 -24.563 -24.563
  287    HA   TRP  37           HA       TRP  37  12.142 -24.638 -24.638
  288   1HB   TRP  37           HB2      TRP  37  14.966 -24.564 -24.564
  289   2HB   TRP  37           HB3      TRP  37  14.594 -25.965 -25.965
  290    HD1  TRP  37           HD1      TRP  37  15.589 -22.545 -22.545
  291    HE1  TRP  37           HE1      TRP  37  14.910 -21.533 -21.533
  292    HE3  TRP  37           HE3      TRP  37  12.142 -26.108 -26.108
  293    HZ2  TRP  37           HZ2      TRP  37  13.050 -22.319 -22.319
  294    HZ3  TRP  37           HZ3      TRP  37  10.940 -25.912 -25.912
  295    HH2  TRP  37           HH2      TRP  37  11.346 -24.099 -24.099
  296    H    LYS  38           HN       LYS  38  11.909 -26.232 -26.232
  297    HA   LYS  38           HA       LYS  38  11.992 -28.914 -28.914
  298   1HB   LYS  38           HB2      LYS  38  13.258 -28.312 -28.312
  299   2HB   LYS  38           HB3      LYS  38  11.683 -28.271 -28.271
  300   1HG   LYS  38           HG2      LYS  38  11.503 -30.649 -30.649
  301   2HG   LYS  38           HG3      LYS  38  13.223 -30.605 -30.605
  302   1HD   LYS  38           HD2      LYS  38  12.898 -30.554 -30.554
  303   2HD   LYS  38           HD3      LYS  38  11.235 -30.020 -30.020
  304   1HE   LYS  38           HE2      LYS  38  12.105 -32.721 -32.721
  305   2HE   LYS  38           HE3      LYS  38  11.688 -32.532 -32.532
  306   1HZ   LYS  38           HZ1      LYS  38   9.918 -32.056 -32.056
  307   2HZ   LYS  38           HZ2      LYS  38   9.696 -33.122 -33.122
  308    H    CYS  39           HN       CYS  39   9.940 -26.552 -26.552
  309    HA   CYS  39           HA       CYS  39   7.647 -28.237 -28.237
  310   1HB   CYS  39           HB2      CYS  39   6.442 -26.923 -26.923
  311   2HB   CYS  39           HB3      CYS  39   7.743 -27.930 -27.930
  312    H    GLY  40           HN       GLY  40   9.376 -25.246 -25.246
  313   1HA   GLY  40           HA1      GLY  40   9.007 -23.859 -23.859
  314   2HA   GLY  40           HA2      GLY  40   7.365 -24.451 -24.451
  315    H    LYS  41           HN       LYS  41   7.981 -23.884 -23.884
  316    HA   LYS  41           HA       LYS  41   6.298 -21.571 -21.571
  317   1HB   LYS  41           HB2      LYS  41   7.654 -23.103 -23.103
  318   2HB   LYS  41           HB3      LYS  41   6.595 -21.732 -21.732
  319   1HG   LYS  41           HG2      LYS  41   5.582 -23.953 -23.953
  320   2HG   LYS  41           HG3      LYS  41   5.671 -24.268 -24.268
  321   1HD   LYS  41           HD2      LYS  41   3.667 -23.215 -23.215
  322   2HD   LYS  41           HD3      LYS  41   4.523 -21.714 -21.714
  323   1HE   LYS  41           HE2      LYS  41   3.066 -21.539 -21.539
  324   2HE   LYS  41           HE3      LYS  41   4.242 -22.558 -22.558
  325   1HZ   LYS  41           HZ1      LYS  41   1.706 -23.408 -23.408
  326   2HZ   LYS  41           HZ2      LYS  41   2.187 -23.649 -23.649
  327    H    GLU  42           HN       GLU  42   7.248 -19.763 -19.763
  328    HA   GLU  42           HA       GLU  42   9.972 -19.199 -19.199
  329   1HB   GLU  42           HB2      GLU  42   9.590 -17.186 -17.186
  330   2HB   GLU  42           HB3      GLU  42   8.854 -18.569 -18.569
  331   1HG   GLU  42           HG2      GLU  42   6.722 -17.777 -17.777
  332   2HG   GLU  42           HG3      GLU  42   7.538 -16.230 -16.230
  333    HE1  GLU  42           HE2      GLU  42   7.027 -18.882 -18.882
  334    H    GLY  43           HN       GLY  43  10.163 -19.048 -19.048
  335   1HA   GLY  43           HA1      GLY  43   9.967 -16.539 -16.539
  336   2HA   GLY  43           HA2      GLY  43   8.472 -17.351 -17.351
  337    H    HIS  44           HN       HIS  44   9.610 -20.086 -20.086
  338    HA   HIS  44           HA       HIS  44  11.223 -19.789 -19.789
  339   1HB   HIS  44           HB2      HIS  44  10.110 -21.557 -21.557
  340   2HB   HIS  44           HB3      HIS  44   8.823 -20.721 -20.721
  341    HD1  HIS  44           HD1      HIS  44   7.254 -22.386 -22.386
  342    HD2  HIS  44           HD2      HIS  44  11.245 -23.653 -23.653
  343    HE1  HIS  44           HE1      HIS  44   7.213 -24.633 -24.633
  344    H    GLN  45           HN       GLN  45  12.747 -21.663 -21.663
  345    HA   GLN  45           HA       GLN  45  13.710 -22.662 -22.662
  346   1HB   GLN  45           HB2      GLN  45  15.157 -21.431 -21.431
  347   2HB   GLN  45           HB3      GLN  45  15.974 -22.718 -22.718
  348   1HG   GLN  45           HG2      GLN  45  16.471 -21.327 -21.327
  349   2HG   GLN  45           HG3      GLN  45  14.782 -20.910 -20.910
  350   1HE2  GLN  45           HE2      GLN  45  14.858 -18.072 -18.072
  351   2HE2  GLN  45           HE2      GLN  45  13.899 -19.454 -19.454
  352    H    MET  46           HN       MET  46  15.566 -24.534 -24.534
  353    HA   MET  46           HA       MET  46  14.002 -26.680 -26.680
  354   1HB   MET  46           HB2      MET  46  17.012 -26.406 -26.406
  355   2HB   MET  46           HB3      MET  46  16.148 -27.890 -27.890
  356   1HG   MET  46           HG2      MET  46  16.754 -27.513 -27.513
  357   2HG   MET  46           HG3      MET  46  15.454 -26.338 -26.338
  358   1HE   MET  46           HE3      MET  46  18.956 -27.232 -27.232
  359   2HE   MET  46           HE1      MET  46  19.075 -26.367 -26.367
  360   3HE   MET  46           HE2      MET  46  19.921 -25.741 -25.741
  361    H    LYS  47           HN       LYS  47  16.001 -24.531 -24.531
  362    HA   LYS  47           HA       LYS  47  15.817 -26.107 -26.107
  363   1HB   LYS  47           HB2      LYS  47  17.488 -24.298 -24.298
  364   2HB   LYS  47           HB3      LYS  47  16.218 -23.110 -23.110
  365   1HG   LYS  47           HG2      LYS  47  15.837 -24.531 -24.531
  366   2HG   LYS  47           HG3      LYS  47  17.539 -24.873 -24.873
  367   1HD   LYS  47           HD2      LYS  47  16.601 -22.013 -22.013
  368   2HD   LYS  47           HD3      LYS  47  16.736 -22.695 -22.695
  369   1HE   LYS  47           HE2      LYS  47  19.043 -22.802 -22.802
  370   2HE   LYS  47           HE3      LYS  47  19.073 -23.220 -23.220
  371   1HZ   LYS  47           HZ1      LYS  47  18.874 -20.980 -20.980
  372   2HZ   LYS  47           HZ2      LYS  47  18.266 -20.503 -20.503
  373    H    ASP  48           HN       ASP  48  13.594 -23.909 -23.909
  374    HA   ASP  48           HA       ASP  48  11.847 -24.096 -24.096
  375   1HB   ASP  48           HB2      ASP  48  11.724 -22.181 -22.181
  376   2HB   ASP  48           HB3      ASP  48  10.638 -22.155 -22.155
  377    HD2  ASP  48           HD2      ASP  48  12.304 -20.469 -20.469
  378    H    CYS  49           HN       CYS  49  12.472 -25.993 -25.993
  379    HA   CYS  49           HA       CYS  49   9.931 -25.965 -25.965
  380   1HB   CYS  49           HB2      CYS  49  12.033 -26.335 -26.335
  381   2HB   CYS  49           HB3      CYS  49  12.322 -27.803 -27.803
  382    H    THR  50           HN       THR  50   8.232 -26.895 -26.895
  383    HA   THR  50           HA       THR  50   8.663 -28.764 -28.764
  384    HB   THR  50           HB       THR  50   6.078 -28.047 -28.047
  385    HG1  THR  50           HG1      THR  50   6.127 -26.261 -26.261
  386   1HG2  THR  50           HG2      THR  50   6.157 -29.862 -29.862
  387   2HG2  THR  50           HG2      THR  50   6.528 -28.499 -28.499
  388   3HG2  THR  50           HG2      THR  50   4.993 -28.528 -28.528
  389    H    GLU  51           HN       GLU  51   8.904 -29.114 -29.114
  390    HA   GLU  51           HA       GLU  51   8.182 -31.928 -31.928
  391   1HB   GLU  51           HB2      GLU  51   7.484 -31.969 -31.969
  392   2HB   GLU  51           HB3      GLU  51   6.642 -30.657 -30.657
  393   1HG   GLU  51           HG2      GLU  51   8.068 -28.989 -28.989
  394   2HG   GLU  51           HG3      GLU  51   9.265 -30.176 -30.176
  395    HE2  GLU  51           HE2      GLU  51   8.532 -29.653 -29.653
  396    H    ARG  52           HN       ARG  52  10.748 -30.665 -30.665
  397    HA   ARG  52           HA       ARG  52  12.388 -32.410 -32.410
  398   1HB   ARG  52           HB2      ARG  52  12.032 -30.520 -30.520
  399   2HB   ARG  52           HB3      ARG  52  12.935 -29.476 -29.476
  400   1HG   ARG  52           HG2      ARG  52  14.733 -31.439 -31.439
  401   2HG   ARG  52           HG3      ARG  52  13.902 -31.900 -31.900
  402   1HD   ARG  52           HD2      ARG  52  14.200 -29.145 -29.145
  403   2HD   ARG  52           HD3      ARG  52  15.673 -29.575 -29.575
  404    HE   ARG  52           HE       ARG  52  15.558 -31.525 -31.525
  405   1HH1  ARG  52           HH2      ARG  52  15.238 -28.001 -28.001
  406   2HH1  ARG  52           HH2      ARG  52  15.863 -27.911 -27.911
  407    HH2  ARG  52           HH1      ARG  52  16.531 -29.924 -29.924
  408    H    GLN  53           HN       GLN  53  14.169 -32.812 -32.812
  409    HA   GLN  53           HA       GLN  53  15.463 -30.813 -30.813
  410   1HB   GLN  53           HB2      GLN  53  14.818 -31.406 -31.406
  411   2HB   GLN  53           HB3      GLN  53  13.444 -30.799 -30.799
  412   1HG   GLN  53           HG2      GLN  53  13.120 -33.418 -33.418
  413   2HG   GLN  53           HG3      GLN  53  14.018 -33.608 -33.608
  414   1HE2  GLN  53           HE2      GLN  53  11.566 -32.002 -32.002
  415   2HE2  GLN  53           HE2      GLN  53  13.272 -32.114 -32.114
  416    H    ALA  54           HN       ALA  54  16.761 -32.378 -32.378
  417    HA   ALA  54           HA       ALA  54  18.417 -33.935 -33.935
  418   1HB   ALA  54           HB2      ALA  54  16.083 -35.298 -35.298
  419   2HB   ALA  54           HB3      ALA  54  17.124 -35.836 -35.836
  420   3HB   ALA  54           HB1      ALA  54  17.652 -36.064 -36.064
  421    H    ASN  55           HN       ASN  55  19.921 -35.350 -35.350
  422    HA   ASN  55           HA       ASN  55  21.342 -35.352 -35.352
  423   1HB   ASN  55           HB2      ASN  55  18.784 -34.743 -34.743
  424   2HB   ASN  55           HB3      ASN  55  20.121 -34.032 -34.032
  425   1HD2  ASN  55           HD2      ASN  55  21.654 -37.059 -37.059
  426   2HD2  ASN  55           HD2      ASN  55  21.885 -35.372 -35.372