*HEADER    PLANT PROTEIN                           03-MAR-17   5NCE              
*TITLE     STRUCTURE OF PSDEF1 DEFENSIN FROM PINUS SYLVESTRIS                    
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: DEFENSIN-1;                                                
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: UNP RESIDUES  34-83;                                       
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: PINUS SYLVESTRIS;                               
*SOURCE   3 ORGANISM_COMMON: SCOTS PINE;                                         
*SOURCE   4 ORGANISM_TAXID: 3349;                                                
*SOURCE   5 GENE: DEF1;                                                          
*SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3);                       
*SOURCE   7 EXPRESSION_SYSTEM_TAXID: 469008;                                     
*SOURCE   8 EXPRESSION_SYSTEM_VARIANT: ROSETTA-GAMI  PLYSS B;                    
*SOURCE   9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE  10 EXPRESSION_SYSTEM_PLASMID: PET-32 EK/LIC                             
*KEYWDS    DEFENSIN, PLANT DEFENSIN, PLANT PROTEIN, SCOTTS PINE DEFENSIN,        
*KEYWDS   2 CONFORMATIONAL DYNAMICS, ANTIBACTERIAL ACTIVITY, AMYLASE INHIBITION  
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    15                                                                    
*AUTHOR    B.I.KHAIRUTDINOV,E.A.ERMAKOVA,E.K.BESSOLITSYNA,Y.Y.TOPORKOVA,         
*AUTHOR   2 N.B.TARASOVA,V.KOVALEVA,Y.F.ZUEV,I.V.NESMELOVA                       
*REVDAT   1   07-JUN-17 5NCE    0                                                
# Restraints file 1: hbonds.lol
#  3 CYSS H      47 LYS  O       1.80
#  3 CYSS N      47 LYS  O       2.70
#  5 THR  H      45 CYSS O       1.80
#  5 THR  N      45 CYSS O       2.70
#  7 SER  H      43 CYSS O       1.80
#  7 SER  N      43 CYSS O       2.70
#  9 LYS  H       7 SER  OG      1.80
# 10 PHE  H       7 SER  OG      1.80

 18 THR  H      16 ASN  OD1       1.80 

# 20 CYSS H      16 ASN  O       1.80
# 20 CYSS N      16 ASN  O       2.70
 21 LYS  H      17 ASN  O       1.80
 21 LYS  N      17 ASN  O       2.70
# 22 ASN  H      18 THR  O       1.80
# 22 ASN  N      18 THR  O       2.70
 23 VAL  H      19 ASN  O       1.80 
 23 VAL  N      19 ASN  O       2.70
# 24 CYSS H      20 CYSS O       1.80
 28 GLY  H      24 CYSS O       1.80
 28 GLY  N      24 CYSS O       2.70
 34 CYSS H      17 ASN  OD1     1.80

 35 ASP  H      42 LYS  O       1.80 
 35 ASP  N      42 LYS  O       2.70
 36 PHE  H      35 ASP  OD2     1.80
# input H-bond manualy for G40-C14
 42 LYS  H      35 ASP  O       1.80
 42 LYS  N      35 ASP  O       2.70
 44 TYR  H      33 SER  O       1.80
 44 TYR  N      33 SER  O       2.70
 49 CYSS H      1  ARG  O       1.80
 49 CYSS N      1  ARG  O       2.70

 20 CYSS O      24 CYSS H       1.80 
 20 CYSS O      24 CYSS N       2.70 
 21 LYS  O      25 ARG  H       1.80 
 21 LYS  O      25 ARG  N       2.70 
 22 ASN  O      26 THR  H       1.80 
 22 ASN  O      26 THR  N       2.70 
# 23 VAL  O      27 GLU  H       1.80 
 23 VAL  O      27 GLU  N       2.70 
 24 CYSS O      29 PHE  H       1.80 
 24 CYSS O      29 PHE  N       2.70 
# 31 THR  H      46 TYR  O       1.80 
# 31 THR  N      46 TYR  O       2.70 
 33 SER  H      44 TYR  O       1.80 
 33 SER  N      44 TYR  O       2.70 
  5 THR  O      45 CYSS H       1.80 
  5 THR  O      45 CYSS N       2.70 
 31 THR  O      46 TYR  H       1.80 
 31 THR  O      46 TYR  N       2.70 
#  3 CYSS O      47 LYS  H       1.80 
  3 CYSS O      47 LYS  N       2.70 
# Restraints file 2: hbonds.upl
#  3 CYSS H      47 LYS  O       2.00
#  3 CYSS N      47 LYS  O       3.00
#  5 THR  H      45 CYSS O       2.00
#  5 THR  N      45 CYSS O       3.00
#  7 SER  H      43 CYSS O       2.00
#  7 SER  N      43 CYSS O       3.00
#  9 LYS  H       7 SER  OG      2.00
# 10 PHE  H       7 SER  OG      2.00

 18 THR  H      16 ASN  OD1       3.00

# 20 CYSS H      16 ASN  O       2.00
# 20 CYSS N      16 ASN  O       3.00
 21 LYS  H      17 ASN  O       2.00 
 21 LYS  N      17 ASN  O       3.00
# 22 ASN  H      18 THR  O       2.00
# 22 ASN  N      18 THR  O       3.00
 23 VAL  H      19 ASN  O       2.00
 23 VAL  N      19 ASN  O       3.00 
# 24 CYSS H      20 CYSS O       2.60
 28 GLY  H      24 CYSS O       2.00
 28 GLY  N      24 CYSS O       3.00
 34 CYSS H      17 ASN  OD1     3.00

 35 ASP  H      42 LYS  O       2.00 
 35 ASP  N      42 LYS  O       3.00
 36 PHE  H      35 ASP  OD2     3.00
# input H-bond manualy for G40-C14
 42 LYS  H      35 ASP  O       2.00
 42 LYS  N      35 ASP  O       3.00
 44 TYR  H      33 SER  O       2.00
 44 TYR  N      33 SER  O       3.00
 49 CYSS H      1  ARG  O       2.00
 49 CYSS N      1  ARG  O       3.00

 20 CYSS O      24 CYSS H       2.00 
 20 CYSS O      24 CYSS N       3.00 
 21 LYS  O      25 ARG  H       2.00 
 21 LYS  O      25 ARG  N       3.00 
 22 ASN  O      26 THR  H       2.00 
 22 ASN  O      26 THR  N       3.00 
# 23 VAL  O      27 GLU  H       2.00 
 23 VAL  O      27 GLU  N       3.00 
 24 CYSS O      29 PHE  H       2.00 
 24 CYSS O      29 PHE  N       3.00 
# 31 THR  H      46 TYR  O       2.00 
# 31 THR  N      46 TYR  O       3.00 
 33 SER  H      44 TYR  O       2.00 
 33 SER  N      44 TYR  O       3.00 
  5 THR  O      45 CYSS H       2.00 
  5 THR  O      45 CYSS N       3.00 
 31 THR  O      46 TYR  H       2.00 
 31 THR  O      46 TYR  N       3.00 
#  3 CYSS O      47 LYS  H       2.00 
  3 CYSS O      47 LYS  N       3.00 
# Restraints file 3: ssbond.lol
  3 CYSS SG     49 CYSS SG      2.00 
  3 CYSS SG     49 CYSS CB      3.00 
  3 CYSS CB     49 CYSS SG      3.00 
 14 CYSS SG     34 CYSS SG      2.00 
 14 CYSS SG     34 CYSS CB      3.00 
 14 CYSS CB     34 CYSS SG      3.00 
 20 CYSS SG     43 CYSS SG      2.00 
 20 CYSS SG     43 CYSS CB      3.00 
 20 CYSS CB     43 CYSS SG      3.00 
 24 CYSS SG     45 CYSS SG      2.00 
 24 CYSS SG     45 CYSS CB      3.00 
 24 CYSS CB     45 CYSS SG      3.00 
# Restraints file 4: ssbond.upl
  3 CYSS SG     49 CYSS SG      2.10 
  3 CYSS SG     49 CYSS CB      3.10 
  3 CYSS CB     49 CYSS SG      3.10 
 14 CYSS SG     34 CYSS SG      2.10 
 14 CYSS SG     34 CYSS CB      3.10 
 14 CYSS CB     34 CYSS SG      3.10 
 20 CYSS SG     43 CYSS SG      2.10 
 20 CYSS SG     43 CYSS CB      3.10 
 20 CYSS CB     43 CYSS SG      3.10 
 24 CYSS SG     45 CYSS SG      2.10 
 24 CYSS SG     45 CYSS CB      3.10 
 24 CYSS CB     45 CYSS SG      3.10 
# Restraints file 5: talos_mod.aco
   2  MET  PHI    -152.3   -55.7
   2  MET  PSI      68.8   175.6
   3 CYSS  PHI    -180.0   -40.0
   3 CYSS  PSI      90.0   180.0
   4 LYS   PHI    -187.4   -93.6
   4 LYS   PSI     111.5   194.7
   5 THR   PHI    -160.8  -104.5
   5 THR   PSI      70.7   180.3
#   7 SER   PHI     -85.4   -46.6
#   7 SER   PSI     113.7   173.9
#  11 LYS   PHI    -195.8   -66.3
#  11 LYS   PSI      97.7   188.9
#  13 TYR   PHI    -106.6   -40.0
#  13 TYR   PSI     105.0   205.9
#  14 CYSS  PHI     -82.2   -42.4
#  14 CYSS  PSI     -57.6     1.5
#  16 ASN   PHI    -147.2   -44.6
#  16 ASN   PSI      82.0   217.5
  17 ASN   PHI     -73.1   -43.6
  17 ASN   PSI     -66.4   -11.2
  18 THR   PHI     -71.9   -51.9
  18 THR   PSI     -56.0   -24.6
  19 ASN   PHI     -77.3   -50.5
  19 ASN   PSI     -62.3   -18.8
  20 CYSS  PHI     -76.2   -52.3
  20 CYSS  PSI     -53.6   -25.8
  21 LYS   PHI     -70.7   -50.7
  21 LYS   PSI     -54.8   -34.8
  22 ASN   PHI     -77.7   -53.1
  22 ASN   PSI     -61.4   -17.1
  23 VAL   PHI     -87.6   -43.0
  23 VAL   PSI     -71.9   -17.9
  24 CYSS  PHI     -74.9   -53.6
  24 CYSS  PSI     -52.5   -19.0
  25 ARG   PHI     -73.4   -53.4
  25 ARG   PSI     -47.6   -19.5
  26 THR   PHI     -85.3   -51.2
  26 THR   PSI     -40.1    -6.1
#  27 GLU   PHI    -128.1   -70.6
#  27 GLU   PSI     -12.5    14.0
#  29 PHE   PHI    -142.1   -37.8
#  29 PHE   PSI      69.0   165.3
#  31 THR   PHI    -209.8   -83.6
#  31 THR   PSI      78.9   200.3
  33 SER   PHI    -172.7   -43.6
  33 SER   PSI     105.9   171.0
  34 CYSS  PHI    -153.3   -53.5
  34 CYSS  PSI      92.0   157.1
  35 ASP   PHI    -148.1   -56.7
  35 ASP   PSI      78.3   186.3
#  36 PHE   PHI    -103.3   -63.6
#  36 PHE   PSI      99.4   162.4
#  37 HIS   PHI    -108.3   -31.3
#  37 HIS   PSI     -60.7   -14.1
#  38 VAL   PHI    -114.6   -36.5
#  38 VAL   PSI     -63.6   -15.5
#  39 ALA   PHI    -128.4   -56.7
#  39 ALA   PSI     -62.8    40.0
#  43 CYSS  PHI    -137.1   -48.9
#  43 CYSS  PSI      63.3   148.5
  45 CYSS  PHI    -153.6   -53.8
  45 CYSS  PSI      71.6   171.9
  46 TYR   PHI    -160.0   -99.6
  46 TYR   PSI     105.9   163.9
  47 LYS   PHI    -170.0   -45.0
  47 LYS   PSI      90.0   180.0
   
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   ARG   1           HT1      ARG   1  15.211  -4.996   4.398
    2    H2   ARG   1           HT2      ARG   1  15.419  -6.405   3.508
    3    H3   ARG   1           HT3      ARG   1  15.811  -6.301   5.169
    4    HA   ARG   1           HA       ARG   1  13.556  -7.378   4.678
    5    HB2  ARG   1           HB2      ARG   1  13.914  -5.020   6.512
    6    HB3  ARG   1           HB1      ARG   1  12.437  -5.965   6.491
    7    HG2  ARG   1           HG2      ARG   1  13.602  -7.916   7.238
    8    HG3  ARG   1           HG1      ARG   1  15.162  -7.111   7.046
    9    HD2  ARG   1           HD2      ARG   1  14.643  -5.552   8.780
   10    HD3  ARG   1           HD1      ARG   1  12.999  -6.146   8.903
   11    HE   ARG   1           HE       ARG   1  13.801  -8.173   9.843
   12   HH11  ARG   1          HH11      ARG   1  16.387  -5.764   9.496
   13   HH12  ARG   1          HH12      ARG   1  17.321  -6.318  10.777
   14   HH21  ARG   1          HH21      ARG   1  15.115  -9.001  11.656
   15   HH22  ARG   1          HH22      ARG   1  16.582  -8.225  12.043
   16    H    MET   2           HN       MET   2  11.409  -7.090   4.170
   17    HA   MET   2           HA       MET   2  10.800  -4.700   2.572
   18    HB2  MET   2           HB2      MET   2   9.572  -7.454   2.661
   19    HB3  MET   2           HB1      MET   2   8.851  -6.096   1.811
   20    HG2  MET   2           HG2      MET   2  10.799  -5.926   0.396
   21    HG3  MET   2           HG1      MET   2  11.558  -7.256   1.267
   22    HE1  MET   2           HE1      MET   2   8.978  -9.226   1.648
   23    HE2  MET   2           HE2      MET   2  10.580  -9.787   1.173
   24    HE3  MET   2           HE3      MET   2   9.167 -10.252   0.226
   25    H    CYS   3           HN       CYS   3  10.071  -3.273   3.745
   26    HA   CYS   3           HA       CYS   3   8.447  -3.855   6.058
   27    HB2  CYS   3           HB2      CYS   3   9.736  -1.481   4.884
   28    HB3  CYS   3           HB1      CYS   3   8.369  -1.190   5.973
   29    H    LYS   4           HN       LYS   4   6.407  -4.284   5.782
   30    HA   LYS   4           HA       LYS   4   4.978  -3.120   3.540
   31    HB2  LYS   4           HB2      LYS   4   4.822  -5.593   4.137
   32    HB3  LYS   4           HB1      LYS   4   3.987  -5.105   5.606
   33    HG2  LYS   4           HG2      LYS   4   2.182  -4.139   4.284
   34    HG3  LYS   4           HG1      LYS   4   3.069  -4.505   2.815
   35    HD2  LYS   4           HD2      LYS   4   1.363  -6.142   3.084
   36    HD3  LYS   4           HD1      LYS   4   2.924  -6.892   3.341
   37    HE2  LYS   4           HE2      LYS   4   2.606  -6.794   5.772
   38    HE3  LYS   4           HE1      LYS   4   1.040  -6.017   5.539
   39    HZ1  LYS   4           HZ1      LYS   4   1.716  -8.757   4.565
   40    HZ2  LYS   4           HZ2      LYS   4   0.216  -8.012   4.461
   41    HZ3  LYS   4           HZ3      LYS   4   0.810  -8.418   5.947
   42    H    THR   5           HN       THR   5   4.207  -1.209   3.911
   43    HA   THR   5           HA       THR   5   3.426  -0.347   6.599
   44    HB   THR   5           HB       THR   5   4.396   1.085   4.138
   45    HG1  THR   5           HG1      THR   5   5.579  -0.135   6.072
   46   HG21  THR   5          HG21      THR   5   3.670   2.269   6.841
   47   HG22  THR   5          HG22      THR   5   2.838   2.523   5.288
   48   HG23  THR   5          HG23      THR   5   4.474   3.117   5.506
   49    HA   PRO   6           HA       PRO   6  -0.737  -0.238   4.844
   50    HB2  PRO   6           HB2      PRO   6  -1.891   1.333   6.777
   51    HB3  PRO   6           HB1      PRO   6  -1.644  -0.417   6.935
   52    HG2  PRO   6           HG2      PRO   6  -0.082   1.805   8.113
   53    HG3  PRO   6           HG1      PRO   6  -0.443   0.200   8.776
   54    HD2  PRO   6           HD2      PRO   6   1.969   0.868   7.687
   55    HD3  PRO   6           HD1      PRO   6   1.327  -0.786   7.722
   56    H    SER   7           HN       SER   7  -1.317   0.973   3.229
   57    HA   SER   7           HA       SER   7  -0.305   3.474   2.551
   58    HB2  SER   7           HB2      SER   7  -2.244   3.494   0.931
   59    HB3  SER   7           HB1      SER   7  -1.199   2.070   0.858
   60    HG   SER   7           HG       SER   7  -2.670   0.873   1.619
   61    H    GLY   8           HN       GLY   8  -0.976   5.541   2.825
   62    HA2  GLY   8           HA2      GLY   8  -2.978   5.942   4.885
   63    HA3  GLY   8           HA1      GLY   8  -1.782   7.102   4.333
   64    H    LYS   9           HN       LYS   9  -2.483   6.782   1.386
   65    HA   LYS   9           HA       LYS   9  -4.909   8.383   1.727
   66    HB2  LYS   9           HB2      LYS   9  -4.409   9.572  -0.127
   67    HB3  LYS   9           HB1      LYS   9  -3.094   9.687   1.031
   68    HG2  LYS   9           HG2      LYS   9  -1.780   8.279  -0.265
   69    HG3  LYS   9           HG1      LYS   9  -3.102   7.957  -1.391
   70    HD2  LYS   9           HD2      LYS   9  -3.325  10.407  -1.456
   71    HD3  LYS   9           HD1      LYS   9  -1.677  10.456  -0.812
   72    HE2  LYS   9           HE2      LYS   9  -2.604   8.918  -3.115
   73    HE3  LYS   9           HE1      LYS   9  -1.730  10.465  -3.332
   74    HZ1  LYS   9           HZ1      LYS   9  -0.720   7.899  -2.162
   75    HZ2  LYS   9           HZ2      LYS   9   0.151   9.327  -2.091
   76    HZ3  LYS   9           HZ3      LYS   9  -0.172   8.601  -3.582
   77    H    PHE  10           HN       PHE  10  -3.970   5.500   0.809
   78    HA   PHE  10           HA       PHE  10  -5.620   5.164  -1.498
   79    HB2  PHE  10           HB2      PHE  10  -3.683   3.648  -0.640
   80    HB3  PHE  10           HB1      PHE  10  -4.961   3.010   0.405
   81    HD1  PHE  10           HD1      PHE  10  -6.788   1.683  -0.494
   82    HD2  PHE  10           HD2      PHE  10  -3.765   3.354  -2.869
   83    HE1  PHE  10           HE1      PHE  10  -7.511   0.228  -2.342
   84    HE2  PHE  10           HE2      PHE  10  -4.445   1.895  -4.803
   85    HZ   PHE  10           HZ       PHE  10  -6.345   0.330  -4.505
   86    H    LYS  11           HN       LYS  11  -7.531   5.105  -1.663
   87    HA   LYS  11           HA       LYS  11  -9.245   4.205   0.528
   88    HB2  LYS  11           HB2      LYS  11  -9.883   6.591  -1.250
   89    HB3  LYS  11           HB1      LYS  11 -10.807   6.009   0.120
   90    HG2  LYS  11           HG2      LYS  11  -8.139   7.389   0.194
   91    HG3  LYS  11           HG1      LYS  11  -9.694   8.025   0.728
   92    HD2  LYS  11           HD2      LYS  11  -9.708   5.990   2.320
   93    HD3  LYS  11           HD1      LYS  11  -8.035   5.850   1.904
   94    HE2  LYS  11           HE2      LYS  11  -9.175   8.397   2.955
   95    HE3  LYS  11           HE1      LYS  11  -8.406   7.187   3.987
   96    HZ1  LYS  11           HZ1      LYS  11  -7.067   8.485   1.671
   97    HZ2  LYS  11           HZ2      LYS  11  -6.333   7.527   2.876
   98    HZ3  LYS  11           HZ3      LYS  11  -6.925   9.038   3.259
   99    H    GLY  12           HN       GLY  12  -9.882   2.285  -0.446
  100    HA2  GLY  12           HA2      GLY  12 -11.834   1.987  -2.147
  101    HA3  GLY  12           HA1      GLY  12 -10.529   2.351  -3.269
  102    H    TYR  13           HN       TYR  13 -10.979   0.244  -4.108
  103    HA   TYR  13           HA       TYR  13 -10.232  -1.979  -2.411
  104    HB2  TYR  13           HB2      TYR  13 -11.938  -1.673  -4.756
  105    HB3  TYR  13           HB1      TYR  13 -10.939  -3.122  -4.768
  106    HD1  TYR  13           HD1      TYR  13 -11.109  -4.733  -2.999
  107    HD2  TYR  13           HD2      TYR  13 -13.780  -1.450  -3.204
  108    HE1  TYR  13           HE1      TYR  13 -12.569  -5.878  -1.466
  109    HE2  TYR  13           HE2      TYR  13 -15.310  -2.596  -1.642
  110    HH   TYR  13           HH       TYR  13 -15.792  -4.868  -0.858
  111    H    CYS  14           HN       CYS  14  -8.273  -2.656  -2.385
  112    HA   CYS  14           HA       CYS  14  -6.483  -2.139  -4.604
  113    HB2  CYS  14           HB2      CYS  14  -5.853  -2.033  -2.099
  114    HB3  CYS  14           HB1      CYS  14  -5.861  -3.787  -2.145
  115    H    VAL  15           HN       VAL  15  -8.022  -3.494  -5.926
  116    HA   VAL  15           HA       VAL  15  -7.718  -6.308  -5.632
  117    HB   VAL  15           HB       VAL  15  -8.793  -6.502  -7.907
  118   HG11  VAL  15          HG11      VAL  15 -10.995  -5.690  -7.167
  119   HG12  VAL  15          HG12      VAL  15 -10.206  -4.775  -5.881
  120   HG13  VAL  15          HG13      VAL  15 -10.132  -6.534  -5.881
  121   HG21  VAL  15          HG21      VAL  15  -9.778  -4.483  -8.917
  122   HG22  VAL  15          HG22      VAL  15  -8.017  -4.382  -8.883
  123   HG23  VAL  15          HG23      VAL  15  -8.974  -3.485  -7.704
  124    H    ASN  16           HN       ASN  16  -6.217  -3.902  -7.717
  125    HA   ASN  16           HA       ASN  16  -4.328  -5.923  -8.700
  126    HB2  ASN  16           HB2      ASN  16  -5.612  -4.507 -10.367
  127    HB3  ASN  16           HB1      ASN  16  -4.849  -3.088  -9.678
  128   HD21  ASN  16          HD21      ASN  16  -4.768  -3.947 -12.387
  129   HD22  ASN  16          HD22      ASN  16  -3.125  -4.255 -12.802
  130    H    ASN  17           HN       ASN  17  -2.130  -5.532  -8.362
  131    HA   ASN  17           HA       ASN  17  -1.520  -4.033  -6.002
  132    HB2  ASN  17           HB2      ASN  17   0.323  -5.470  -7.910
  133    HB3  ASN  17           HB1      ASN  17   0.839  -4.718  -6.409
  134   HD21  ASN  17          HD21      ASN  17  -0.592  -7.480  -7.877
  135   HD22  ASN  17          HD22      ASN  17  -0.825  -8.371  -6.416
  136    H    THR  18           HN       THR  18  -1.324  -3.469  -9.352
  137    HA   THR  18           HA       THR  18   0.637  -1.486  -9.541
  138    HB   THR  18           HB       THR  18  -1.874  -1.769 -11.212
  139    HG1  THR  18           HG1      THR  18  -0.961  -3.712 -11.378
  140   HG21  THR  18          HG21      THR  18   0.879  -0.693 -11.897
  141   HG22  THR  18          HG22      THR  18  -0.572   0.285 -11.664
  142   HG23  THR  18          HG23      THR  18  -0.483  -0.852 -13.010
  143    H    ASN  19           HN       ASN  19  -2.909  -1.099  -8.721
  144    HA   ASN  19           HA       ASN  19  -2.797   1.727  -8.793
  145    HB2  ASN  19           HB2      ASN  19  -4.877   1.463  -7.247
  146    HB3  ASN  19           HB1      ASN  19  -5.060   1.006  -8.950
  147   HD21  ASN  19          HD21      ASN  19  -4.939   0.007  -5.653
  148   HD22  ASN  19          HD22      ASN  19  -5.431  -1.626  -5.961
  149    H    CYS  20           HN       CYS  20  -2.473  -0.685  -6.305
  150    HA   CYS  20           HA       CYS  20  -2.252   0.901  -4.000
  151    HB2  CYS  20           HB2      CYS  20  -2.169  -1.701  -4.358
  152    HB3  CYS  20           HB1      CYS  20  -0.510  -1.421  -4.618
  153    H    LYS  21           HN       LYS  21  -0.039  -0.336  -6.326
  154    HA   LYS  21           HA       LYS  21   2.264   0.276  -5.342
  155    HB2  LYS  21           HB2      LYS  21   1.359  -0.795  -7.638
  156    HB3  LYS  21           HB1      LYS  21   1.967   0.757  -8.202
  157    HG2  LYS  21           HG2      LYS  21   4.151   0.258  -7.599
  158    HG3  LYS  21           HG1      LYS  21   3.638  -1.203  -6.729
  159    HD2  LYS  21           HD2      LYS  21   2.842  -2.219  -8.735
  160    HD3  LYS  21           HD1      LYS  21   3.114  -0.741  -9.653
  161    HE2  LYS  21           HE2      LYS  21   4.807  -2.328 -10.124
  162    HE3  LYS  21           HE1      LYS  21   5.440  -0.923  -9.243
  163    HZ1  LYS  21           HZ1      LYS  21   4.823  -3.579  -8.024
  164    HZ2  LYS  21           HZ2      LYS  21   5.507  -2.275  -7.199
  165    HZ3  LYS  21           HZ3      LYS  21   6.374  -3.055  -8.414
  166    H    ASN  22           HN       ASN  22   0.285   2.090  -7.669
  167    HA   ASN  22           HA       ASN  22   1.961   4.329  -7.989
  168    HB2  ASN  22           HB2      ASN  22  -0.989   4.038  -8.536
  169    HB3  ASN  22           HB1      ASN  22  -0.040   5.444  -8.996
  170   HD21  ASN  22          HD21      ASN  22  -1.457   3.612 -10.725
  171   HD22  ASN  22          HD22      ASN  22  -0.278   2.933 -11.788
  172    H    VAL  23           HN       VAL  23  -0.760   3.750  -5.842
  173    HA   VAL  23           HA       VAL  23  -0.794   6.416  -4.821
  174    HB   VAL  23           HB       VAL  23  -1.808   3.868  -3.521
  175   HG11  VAL  23          HG11      VAL  23  -3.256   5.372  -2.204
  176   HG12  VAL  23          HG12      VAL  23  -2.483   6.754  -2.973
  177   HG13  VAL  23          HG13      VAL  23  -1.547   5.703  -1.921
  178   HG21  VAL  23          HG21      VAL  23  -3.180   5.862  -5.309
  179   HG22  VAL  23          HG22      VAL  23  -4.017   4.664  -4.340
  180   HG23  VAL  23          HG23      VAL  23  -2.919   4.132  -5.629
  181    H    CYS  24           HN       CYS  24   0.785   3.464  -3.738
  182    HA   CYS  24           HA       CYS  24   2.008   4.650  -1.511
  183    HB2  CYS  24           HB2      CYS  24   2.705   2.233  -3.166
  184    HB3  CYS  24           HB1      CYS  24   3.562   2.633  -1.686
  185    H    ARG  25           HN       ARG  25   3.004   4.312  -4.859
  186    HA   ARG  25           HA       ARG  25   5.588   5.345  -4.566
  187    HB2  ARG  25           HB2      ARG  25   3.779   5.300  -6.978
  188    HB3  ARG  25           HB1      ARG  25   5.476   5.774  -7.039
  189    HG2  ARG  25           HG2      ARG  25   6.219   3.620  -6.440
  190    HG3  ARG  25           HG1      ARG  25   4.613   3.134  -5.904
  191    HD2  ARG  25           HD2      ARG  25   4.947   2.062  -7.960
  192    HD3  ARG  25           HD1      ARG  25   3.876   3.438  -8.269
  193    HE   ARG  25           HE       ARG  25   6.688   3.776  -8.632
  194   HH11  ARG  25          HH11      ARG  25   3.506   3.387 -10.247
  195   HH12  ARG  25          HH12      ARG  25   4.061   3.783 -11.778
  196   HH21  ARG  25          HH21      ARG  25   7.454   4.343 -10.828
  197   HH22  ARG  25          HH22      ARG  25   6.373   4.343 -12.141
  198    H    THR  26           HN       THR  26   2.495   6.893  -4.924
  199    HA   THR  26           HA       THR  26   3.658   9.510  -5.161
  200    HB   THR  26           HB       THR  26   1.139  10.127  -4.598
  201    HG1  THR  26           HG1      THR  26   0.805   7.588  -5.699
  202   HG21  THR  26          HG21      THR  26   2.258  10.598  -6.726
  203   HG22  THR  26          HG22      THR  26   0.625   9.971  -6.998
  204   HG23  THR  26          HG23      THR  26   2.028   8.916  -7.204
  205    H    GLU  27           HN       GLU  27   2.312   7.609  -2.585
  206    HA   GLU  27           HA       GLU  27   2.467   9.616  -0.573
  207    HB2  GLU  27           HB2      GLU  27   2.454   6.601  -0.328
  208    HB3  GLU  27           HB1      GLU  27   2.584   7.643   1.086
  209    HG2  GLU  27           HG2      GLU  27   0.460   8.690   0.519
  210    HG3  GLU  27           HG1      GLU  27   0.405   7.698  -0.935
  211    H    GLY  28           HN       GLY  28   4.865   7.405  -1.781
  212    HA2  GLY  28           HA2      GLY  28   7.131   8.596  -1.750
  213    HA3  GLY  28           HA1      GLY  28   6.850   8.708  -0.016
  214    H    PHE  29           HN       PHE  29   6.085   5.997  -2.103
  215    HA   PHE  29           HA       PHE  29   8.090   4.412  -0.685
  216    HB2  PHE  29           HB2      PHE  29   5.296   3.620  -1.483
  217    HB3  PHE  29           HB1      PHE  29   6.493   2.519  -0.815
  218    HD1  PHE  29           HD1      PHE  29   4.203   5.267  -0.126
  219    HD2  PHE  29           HD2      PHE  29   7.042   2.574   1.501
  220    HE1  PHE  29           HE1      PHE  29   3.407   5.841   2.094
  221    HE2  PHE  29           HE2      PHE  29   6.306   3.102   3.747
  222    HZ   PHE  29           HZ       PHE  29   4.455   4.765   4.090
  223    HA   PRO  30           HA       PRO  30   9.460   3.287  -4.741
  224    HB2  PRO  30           HB2      PRO  30  10.186   0.663  -4.170
  225    HB3  PRO  30           HB1      PRO  30  11.233   2.066  -3.917
  226    HG2  PRO  30           HG2      PRO  30   9.638   0.545  -1.947
  227    HG3  PRO  30           HG1      PRO  30  11.176   1.403  -1.743
  228    HD2  PRO  30           HD2      PRO  30   8.829   2.353  -0.828
  229    HD3  PRO  30           HD1      PRO  30  10.156   3.405  -1.340
  230    H    THR  31           HN       THR  31   7.203   1.153  -2.985
  231    HA   THR  31           HA       THR  31   5.774   0.672  -5.382
  232    HB   THR  31           HB       THR  31   7.529  -0.942  -5.755
  233    HG1  THR  31           HG1      THR  31   5.699  -2.747  -4.789
  234   HG21  THR  31          HG21      THR  31   7.966  -2.797  -4.098
  235   HG22  THR  31          HG22      THR  31   6.985  -1.878  -2.936
  236   HG23  THR  31          HG23      THR  31   8.463  -1.189  -3.577
  237    H    GLY  32           HN       GLY  32   3.971  -0.998  -4.853
  238    HA2  GLY  32           HA2      GLY  32   3.192  -1.047  -2.121
  239    HA3  GLY  32           HA1      GLY  32   2.150  -0.119  -3.216
  240    H    SER  33           HN       SER  33   1.430  -2.477  -1.903
  241    HA   SER  33           HA       SER  33   0.633  -4.095  -4.105
  242    HB2  SER  33           HB2      SER  33   2.672  -4.947  -2.120
  243    HB3  SER  33           HB1      SER  33   1.712  -6.199  -2.932
  244    HG   SER  33           HG       SER  33   2.767  -4.247  -4.512
  245    H    CYS  34           HN       CYS  34  -0.849  -5.852  -3.321
  246    HA   CYS  34           HA       CYS  34  -2.556  -4.583  -1.367
  247    HB2  CYS  34           HB2      CYS  34  -3.157  -6.823  -3.284
  248    HB3  CYS  34           HB1      CYS  34  -4.322  -5.939  -2.306
  249    H    ASP  35           HN       ASP  35  -3.538  -5.724   0.289
  250    HA   ASP  35           HA       ASP  35  -2.487  -8.337   1.049
  251    HB2  ASP  35           HB2      ASP  35  -1.117  -6.632   2.018
  252    HB3  ASP  35           HB1      ASP  35  -2.526  -5.762   2.575
  253    H    PHE  36           HN       PHE  36  -3.919  -9.260   2.766
  254    HA   PHE  36           HA       PHE  36  -6.592  -8.122   2.708
  255    HB2  PHE  36           HB2      PHE  36  -6.367 -10.173   1.220
  256    HB3  PHE  36           HB1      PHE  36  -5.925 -11.085   2.652
  257    HD1  PHE  36           HD1      PHE  36  -8.328 -11.225   0.564
  258    HD2  PHE  36           HD2      PHE  36  -7.967  -9.911   4.588
  259    HE1  PHE  36           HE1      PHE  36 -10.718 -11.726   0.944
  260    HE2  PHE  36           HE2      PHE  36 -10.322 -10.397   4.991
  261    HZ   PHE  36           HZ       PHE  36 -11.722 -11.323   3.159
  262    H    HIS  37           HN       HIS  37  -6.654  -7.361   4.655
  263    HA   HIS  37           HA       HIS  37  -6.290  -9.258   6.871
  264    HB2  HIS  37           HB2      HIS  37  -4.846  -7.812   8.123
  265    HB3  HIS  37           HB1      HIS  37  -4.355  -7.578   6.439
  266    HD1  HIS  37           HD1      HIS  37  -5.820  -5.763   9.281
  267    HD2  HIS  37           HD2      HIS  37  -4.963  -5.125   5.284
  268    HE1  HIS  37           HE1      HIS  37  -5.946  -3.264   8.931
  269    HE2  HIS  37           HE2      HIS  37  -4.792  -3.068   6.745
  270    H    VAL  38           HN       VAL  38  -8.347  -7.650   5.191
  271    HA   VAL  38           HA       VAL  38 -10.152  -6.965   7.290
  272    HB   VAL  38           HB       VAL  38 -10.710  -4.737   6.079
  273   HG11  VAL  38          HG11      VAL  38  -9.656  -4.678   8.268
  274   HG12  VAL  38          HG12      VAL  38  -8.970  -3.416   7.224
  275   HG13  VAL  38          HG13      VAL  38  -8.071  -4.894   7.521
  276   HG21  VAL  38          HG21      VAL  38  -7.933  -5.157   4.984
  277   HG22  VAL  38          HG22      VAL  38  -8.823  -3.655   4.872
  278   HG23  VAL  38          HG23      VAL  38  -9.411  -5.097   4.021
  279    H    ALA  39           HN       ALA  39 -12.315  -6.600   6.333
  280    HA   ALA  39           HA       ALA  39 -12.763  -8.494   4.297
  281    HB1  ALA  39           HB1      ALA  39 -14.404  -8.123   6.093
  282    HB2  ALA  39           HB2      ALA  39 -15.131  -7.882   4.504
  283    HB3  ALA  39           HB3      ALA  39 -14.689  -6.489   5.491
  284    H    GLY  40           HN       GLY  40 -11.535  -7.745   2.698
  285    HA2  GLY  40           HA2      GLY  40 -12.503  -6.731   0.488
  286    HA3  GLY  40           HA1      GLY  40 -12.115  -5.253   1.379
  287    H    ARG  41           HN       ARG  41 -10.399  -4.626   0.100
  288    HA   ARG  41           HA       ARG  41  -8.023  -6.357   0.224
  289    HB2  ARG  41           HB2      ARG  41  -8.913  -4.430  -1.867
  290    HB3  ARG  41           HB1      ARG  41  -7.442  -5.444  -1.861
  291    HG2  ARG  41           HG2      ARG  41 -10.208  -6.524  -1.744
  292    HG3  ARG  41           HG1      ARG  41  -9.508  -6.083  -3.263
  293    HD2  ARG  41           HD2      ARG  41  -8.224  -8.037  -1.330
  294    HD3  ARG  41           HD1      ARG  41  -9.269  -8.543  -2.657
  295    HE   ARG  41           HE       ARG  41  -7.121  -6.868  -3.518
  296   HH11  ARG  41          HH11      ARG  41  -7.862 -10.200  -2.615
  297   HH12  ARG  41          HH12      ARG  41  -6.739 -10.917  -3.675
  298   HH21  ARG  41          HH21      ARG  41  -5.595  -7.819  -5.043
  299   HH22  ARG  41          HH22      ARG  41  -5.393  -9.497  -5.107
  300    H    LYS  42           HN       LYS  42  -6.341  -5.283   1.303
  301    HA   LYS  42           HA       LYS  42  -6.633  -2.400   1.482
  302    HB2  LYS  42           HB2      LYS  42  -6.914  -3.409   3.668
  303    HB3  LYS  42           HB1      LYS  42  -5.454  -4.342   3.494
  304    HG2  LYS  42           HG2      LYS  42  -5.240  -2.388   5.009
  305    HG3  LYS  42           HG1      LYS  42  -4.084  -2.396   3.687
  306    HD2  LYS  42           HD2      LYS  42  -5.363  -0.698   2.514
  307    HD3  LYS  42           HD1      LYS  42  -6.631  -0.762   3.753
  308    HE2  LYS  42           HE2      LYS  42  -5.263   0.107   5.365
  309    HE3  LYS  42           HE1      LYS  42  -3.786  -0.167   4.451
  310    HZ1  LYS  42           HZ1      LYS  42  -4.400   2.244   4.430
  311    HZ2  LYS  42           HZ2      LYS  42  -5.875   1.901   3.704
  312    HZ3  LYS  42           HZ3      LYS  42  -4.420   1.611   2.902
  313    H    CYS  43           HN       CYS  43  -5.150  -1.241   0.667
  314    HA   CYS  43           HA       CYS  43  -2.920  -2.344  -0.726
  315    HB2  CYS  43           HB2      CYS  43  -4.123  -0.496  -1.658
  316    HB3  CYS  43           HB1      CYS  43  -3.918   0.448  -0.196
  317    H    TYR  44           HN       TYR  44  -0.811  -2.431  -0.047
  318    HA   TYR  44           HA       TYR  44  -0.044  -0.883   2.280
  319    HB2  TYR  44           HB2      TYR  44   0.450  -3.765   1.700
  320    HB3  TYR  44           HB1      TYR  44   1.573  -2.821   2.665
  321    HD1  TYR  44           HD1      TYR  44  -1.927  -3.902   2.463
  322    HD2  TYR  44           HD2      TYR  44   1.190  -2.473   4.926
  323    HE1  TYR  44           HE1      TYR  44  -3.271  -4.415   4.408
  324    HE2  TYR  44           HE2      TYR  44  -0.121  -2.970   6.921
  325    HH   TYR  44           HH       TYR  44  -2.598  -4.969   6.892
  326    H    CYS  45           HN       CYS  45   1.986  -0.207   2.242
  327    HA   CYS  45           HA       CYS  45   3.128  -0.082  -0.405
  328    HB2  CYS  45           HB2      CYS  45   3.640   1.649   2.018
  329    HB3  CYS  45           HB1      CYS  45   4.148   1.972   0.399
  330    H    TYR  46           HN       TYR  46   5.212  -0.667  -0.744
  331    HA   TYR  46           HA       TYR  46   6.487  -2.022   1.498
  332    HB2  TYR  46           HB2      TYR  46   6.407  -2.732  -1.397
  333    HB3  TYR  46           HB1      TYR  46   7.670  -3.359  -0.347
  334    HD1  TYR  46           HD1      TYR  46   3.921  -3.198  -0.713
  335    HD2  TYR  46           HD2      TYR  46   7.296  -5.300   0.823
  336    HE1  TYR  46           HE1      TYR  46   2.480  -4.979  -0.068
  337    HE2  TYR  46           HE2      TYR  46   5.868  -7.148   1.460
  338    HH   TYR  46           HH       TYR  46   2.676  -7.462   0.332
  339    H    LYS  47           HN       LYS  47   8.457  -1.622   1.979
  340    HA   LYS  47           HA       LYS  47  10.099  -0.065   0.200
  341    HB2  LYS  47           HB2      LYS  47  10.638   1.631   1.938
  342    HB3  LYS  47           HB1      LYS  47   8.987   1.722   1.353
  343    HG2  LYS  47           HG2      LYS  47   8.202   0.620   3.390
  344    HG3  LYS  47           HG1      LYS  47   9.855   0.458   3.966
  345    HD2  LYS  47           HD2      LYS  47  10.071   2.914   3.944
  346    HD3  LYS  47           HD1      LYS  47   8.379   3.037   3.464
  347    HE2  LYS  47           HE2      LYS  47   8.533   3.361   5.847
  348    HE3  LYS  47           HE1      LYS  47   7.762   1.806   5.534
  349    HZ1  LYS  47           HZ1      LYS  47   9.909   0.712   5.971
  350    HZ2  LYS  47           HZ2      LYS  47   9.410   1.621   7.295
  351    HZ3  LYS  47           HZ3      LYS  47  10.613   2.212   6.273
  352    HA   PRO  48           HA       PRO  48  13.110  -2.708   2.018
  353    HB2  PRO  48           HB2      PRO  48  15.353  -1.451   1.194
  354    HB3  PRO  48           HB1      PRO  48  14.311  -2.328   0.054
  355    HG2  PRO  48           HG2      PRO  48  14.498   0.591   0.542
  356    HG3  PRO  48           HG1      PRO  48  14.304  -0.290  -0.988
  357    HD2  PRO  48           HD2      PRO  48  12.219   0.908   0.300
  358    HD3  PRO  48           HD1      PRO  48  12.055  -0.519  -0.742
  359    H    CYS  49           HN       CYS  49  13.310  -2.731   4.014
  360    HA   CYS  49           HA       CYS  49  14.701  -0.587   5.477
  361    HB2  CYS  49           HB2      CYS  49  12.869  -2.834   6.368
  362    HB3  CYS  49           HB1      CYS  49  13.715  -1.754   7.496
  363    HA   PRO  50           HA       PRO  50  18.090  -3.489   5.753
  364    HB2  PRO  50           HB2      PRO  50  18.203  -3.179   8.701
  365    HB3  PRO  50           HB1      PRO  50  19.445  -2.779   7.498
  366    HG2  PRO  50           HG2      PRO  50  18.147  -0.858   8.764
  367    HG3  PRO  50           HG1      PRO  50  18.572  -0.708   7.047
  368    HD2  PRO  50           HD2      PRO  50  15.930  -1.374   8.266
  369    HD3  PRO  50           HD1      PRO  50  16.309  -0.312   6.893
  Start of MODEL    2
    1    H1   ARG   1           HT1      ARG   1  15.199  -6.843   3.001
    2    H2   ARG   1           HT2      ARG   1  15.665  -6.853   4.678
    3    H3   ARG   1           HT3      ARG   1  15.078  -5.522   4.001
    4    HA   ARG   1           HA       ARG   1  13.332  -7.843   4.114
    5    HB2  ARG   1           HB2      ARG   1  13.803  -5.665   6.135
    6    HB3  ARG   1           HB1      ARG   1  12.281  -6.533   6.045
    7    HG2  ARG   1           HG2      ARG   1  13.345  -8.591   6.619
    8    HG3  ARG   1           HG1      ARG   1  14.945  -7.860   6.473
    9    HD2  ARG   1           HD2      ARG   1  14.529  -6.425   8.336
   10    HD3  ARG   1           HD1      ARG   1  12.855  -6.935   8.430
   11    HE   ARG   1           HE       ARG   1  13.539  -9.073   9.195
   12   HH11  ARG   1          HH11      ARG   1  16.272  -6.811   9.001
   13   HH12  ARG   1          HH12      ARG   1  17.201  -7.556  10.183
   14   HH21  ARG   1          HH21      ARG   1  14.842 -10.164  10.868
   15   HH22  ARG   1          HH22      ARG   1  16.368  -9.526  11.279
   16    H    MET   2           HN       MET   2  11.157  -7.353   3.791
   17    HA   MET   2           HA       MET   2  10.668  -4.867   2.302
   18    HB2  MET   2           HB2      MET   2   9.330  -7.574   2.244
   19    HB3  MET   2           HB1      MET   2   8.670  -6.142   1.470
   20    HG2  MET   2           HG2      MET   2  10.584  -5.992   0.027
   21    HG3  MET   2           HG1      MET   2  11.347  -7.340   0.863
   22    HE1  MET   2           HE1      MET   2  10.448  -8.829  -2.683
   23    HE2  MET   2           HE2      MET   2  11.740  -8.535  -1.517
   24    HE3  MET   2           HE3      MET   2  10.963  -7.179  -2.335
   25    H    CYS   3           HN       CYS   3   9.942  -3.463   3.523
   26    HA   CYS   3           HA       CYS   3   8.345  -4.121   5.840
   27    HB2  CYS   3           HB2      CYS   3   9.739  -1.755   4.791
   28    HB3  CYS   3           HB1      CYS   3   8.383  -1.443   5.884
   29    H    LYS   4           HN       LYS   4   6.261  -4.244   5.753
   30    HA   LYS   4           HA       LYS   4   4.851  -3.090   3.487
   31    HB2  LYS   4           HB2      LYS   4   4.638  -5.545   4.078
   32    HB3  LYS   4           HB1      LYS   4   3.866  -5.052   5.578
   33    HG2  LYS   4           HG2      LYS   4   2.028  -4.071   4.353
   34    HG3  LYS   4           HG1      LYS   4   2.864  -4.374   2.839
   35    HD2  LYS   4           HD2      LYS   4   1.165  -6.019   3.094
   36    HD3  LYS   4           HD1      LYS   4   2.736  -6.775   3.264
   37    HE2  LYS   4           HE2      LYS   4   2.494  -6.794   5.709
   38    HE3  LYS   4           HE1      LYS   4   0.923  -6.008   5.562
   39    HZ1  LYS   4           HZ1      LYS   4   1.560  -8.701   4.439
   40    HZ2  LYS   4           HZ2      LYS   4   0.052  -7.961   4.433
   41    HZ3  LYS   4           HZ3      LYS   4   0.713  -8.430   5.871
   42    H    THR   5           HN       THR   5   4.138  -1.123   3.861
   43    HA   THR   5           HA       THR   5   3.364  -0.265   6.556
   44    HB   THR   5           HB       THR   5   4.497   1.169   4.163
   45    HG1  THR   5           HG1      THR   5   5.523  -0.137   6.174
   46   HG21  THR   5          HG21      THR   5   4.662   3.145   5.623
   47   HG22  THR   5          HG22      THR   5   3.702   2.306   6.862
   48   HG23  THR   5          HG23      THR   5   3.009   2.675   5.266
   49    HA   PRO   6           HA       PRO   6  -0.788   0.061   4.789
   50    HB2  PRO   6           HB2      PRO   6  -1.904   1.673   6.696
   51    HB3  PRO   6           HB1      PRO   6  -1.641  -0.068   6.924
   52    HG2  PRO   6           HG2      PRO   6  -0.007   2.208   7.909
   53    HG3  PRO   6           HG1      PRO   6  -0.446   0.692   8.724
   54    HD2  PRO   6           HD2      PRO   6   1.986   1.071   7.626
   55    HD3  PRO   6           HD1      PRO   6   1.198  -0.519   7.673
   56    H    SER   7           HN       SER   7  -1.539   1.290   3.222
   57    HA   SER   7           HA       SER   7  -0.524   3.842   2.529
   58    HB2  SER   7           HB2      SER   7  -2.418   3.720   0.862
   59    HB3  SER   7           HB1      SER   7  -1.287   2.370   0.802
   60    HG   SER   7           HG       SER   7  -2.711   1.073   1.479
   61    H    GLY   8           HN       GLY   8  -1.532   5.943   2.641
   62    HA2  GLY   8           HA2      GLY   8  -3.659   6.121   4.599
   63    HA3  GLY   8           HA1      GLY   8  -2.580   7.405   4.078
   64    H    LYS   9           HN       LYS   9  -2.900   7.199   1.216
   65    HA   LYS   9           HA       LYS   9  -5.487   8.430   1.247
   66    HB2  LYS   9           HB2      LYS   9  -4.973   9.456  -0.894
   67    HB3  LYS   9           HB1      LYS   9  -3.866   9.813   0.429
   68    HG2  LYS   9           HG2      LYS   9  -2.841   7.636  -0.873
   69    HG3  LYS   9           HG1      LYS   9  -3.247   8.775  -2.145
   70    HD2  LYS   9           HD2      LYS   9  -2.302  10.495  -0.432
   71    HD3  LYS   9           HD1      LYS   9  -1.576   8.988   0.192
   72    HE2  LYS   9           HE2      LYS   9  -0.756   8.457  -1.852
   73    HE3  LYS   9           HE1      LYS   9  -1.403   9.936  -2.563
   74    HZ1  LYS   9           HZ1      LYS   9   1.055  10.315  -1.797
   75    HZ2  LYS   9           HZ2      LYS   9   0.475   9.941  -0.251
   76    HZ3  LYS   9           HZ3      LYS   9  -0.077  11.306  -1.007
   77    H    PHE  10           HN       PHE  10  -4.462   5.594   0.708
   78    HA   PHE  10           HA       PHE  10  -5.845   4.970  -1.713
   79    HB2  PHE  10           HB2      PHE  10  -3.906   3.667  -0.611
   80    HB3  PHE  10           HB1      PHE  10  -5.208   2.967   0.364
   81    HD1  PHE  10           HD1      PHE  10  -6.804   1.441  -0.583
   82    HD2  PHE  10           HD2      PHE  10  -3.881   3.431  -2.834
   83    HE1  PHE  10           HE1      PHE  10  -7.329  -0.058  -2.461
   84    HE2  PHE  10           HE2      PHE  10  -4.358   1.910  -4.814
   85    HZ   PHE  10           HZ       PHE  10  -6.112   0.173  -4.579
   86    H    LYS  11           HN       LYS  11  -7.862   4.842  -1.839
   87    HA   LYS  11           HA       LYS  11  -9.458   3.884   0.447
   88    HB2  LYS  11           HB2      LYS  11 -10.901   5.817  -1.278
   89    HB3  LYS  11           HB1      LYS  11 -10.987   5.607   0.447
   90    HG2  LYS  11           HG2      LYS  11  -8.962   7.251  -1.088
   91    HG3  LYS  11           HG1      LYS  11 -10.300   7.860  -0.137
   92    HD2  LYS  11           HD2      LYS  11  -7.864   6.407   0.911
   93    HD3  LYS  11           HD1      LYS  11  -8.148   8.135   0.996
   94    HE2  LYS  11           HE2      LYS  11 -10.082   7.709   2.455
   95    HE3  LYS  11           HE1      LYS  11  -9.732   5.978   2.381
   96    HZ1  LYS  11           HZ1      LYS  11  -8.738   6.919   4.376
   97    HZ2  LYS  11           HZ2      LYS  11  -7.930   8.083   3.448
   98    HZ3  LYS  11           HZ3      LYS  11  -7.497   6.487   3.298
   99    H    GLY  12           HN       GLY  12  -9.874   1.856  -0.447
  100    HA2  GLY  12           HA2      GLY  12 -11.937   1.340  -1.994
  101    HA3  GLY  12           HA1      GLY  12 -10.732   1.752  -3.206
  102    H    TYR  13           HN       TYR  13 -11.205  -0.440  -3.868
  103    HA   TYR  13           HA       TYR  13 -10.208  -2.598  -2.221
  104    HB2  TYR  13           HB2      TYR  13 -11.913  -2.350  -4.584
  105    HB3  TYR  13           HB1      TYR  13 -10.811  -3.719  -4.630
  106    HD1  TYR  13           HD1      TYR  13 -13.645  -2.199  -2.807
  107    HD2  TYR  13           HD2      TYR  13 -11.083  -5.556  -3.203
  108    HE1  TYR  13           HE1      TYR  13 -15.158  -3.523  -1.375
  109    HE2  TYR  13           HE2      TYR  13 -12.536  -6.879  -1.800
  110    HH   TYR  13           HH       TYR  13 -15.694  -5.875  -0.929
  111    H    CYS  14           HN       CYS  14  -8.138  -3.119  -2.245
  112    HA   CYS  14           HA       CYS  14  -6.483  -2.405  -4.529
  113    HB2  CYS  14           HB2      CYS  14  -5.791  -2.261  -2.025
  114    HB3  CYS  14           HB1      CYS  14  -5.625  -4.011  -2.143
  115    H    VAL  15           HN       VAL  15  -7.945  -3.870  -5.716
  116    HA   VAL  15           HA       VAL  15  -7.519  -6.644  -5.643
  117    HB   VAL  15           HB       VAL  15  -8.426  -6.713  -7.989
  118   HG11  VAL  15          HG11      VAL  15 -10.680  -5.942  -7.374
  119   HG12  VAL  15          HG12      VAL  15  -9.996  -5.104  -5.980
  120   HG13  VAL  15          HG13      VAL  15  -9.916  -6.863  -6.080
  121   HG21  VAL  15          HG21      VAL  15  -9.349  -4.646  -8.956
  122   HG22  VAL  15          HG22      VAL  15  -7.596  -4.546  -8.791
  123   HG23  VAL  15          HG23      VAL  15  -8.638  -3.714  -7.638
  124    H    ASN  16           HN       ASN  16  -5.831  -4.140  -7.520
  125    HA   ASN  16           HA       ASN  16  -3.900  -6.206  -8.313
  126    HB2  ASN  16           HB2      ASN  16  -5.130  -5.328 -10.255
  127    HB3  ASN  16           HB1      ASN  16  -4.741  -3.684  -9.781
  128   HD21  ASN  16          HD21      ASN  16  -3.771  -3.291 -11.769
  129   HD22  ASN  16          HD22      ASN  16  -2.213  -3.947 -12.164
  130    H    ASN  17           HN       ASN  17  -1.737  -5.563  -8.375
  131    HA   ASN  17           HA       ASN  17  -1.063  -4.001  -6.084
  132    HB2  ASN  17           HB2      ASN  17   0.657  -5.441  -8.096
  133    HB3  ASN  17           HB1      ASN  17   1.318  -4.543  -6.735
  134   HD21  ASN  17          HD21      ASN  17   1.372  -7.444  -7.415
  135   HD22  ASN  17          HD22      ASN  17   0.708  -8.213  -6.017
  136    H    THR  18           HN       THR  18  -1.024  -3.413  -9.532
  137    HA   THR  18           HA       THR  18   0.779  -1.303  -9.669
  138    HB   THR  18           HB       THR  18  -1.731  -1.610 -11.339
  139    HG1  THR  18           HG1      THR  18   0.422  -2.724 -12.461
  140   HG21  THR  18          HG21      THR  18  -0.324  -0.633 -13.110
  141   HG22  THR  18          HG22      THR  18   1.020  -0.504 -11.976
  142   HG23  THR  18          HG23      THR  18  -0.435   0.461 -11.730
  143    H    ASN  19           HN       ASN  19  -2.769  -1.163  -8.747
  144    HA   ASN  19           HA       ASN  19  -2.883   1.662  -8.830
  145    HB2  ASN  19           HB2      ASN  19  -4.930   1.250  -7.273
  146    HB3  ASN  19           HB1      ASN  19  -5.081   0.708  -8.942
  147   HD21  ASN  19          HD21      ASN  19  -4.746  -0.201  -5.619
  148   HD22  ASN  19          HD22      ASN  19  -5.109  -1.875  -5.876
  149    H    CYS  20           HN       CYS  20  -2.330  -0.725  -6.355
  150    HA   CYS  20           HA       CYS  20  -2.194   0.910  -4.072
  151    HB2  CYS  20           HB2      CYS  20  -2.058  -1.673  -4.363
  152    HB3  CYS  20           HB1      CYS  20  -0.398  -1.382  -4.655
  153    H    LYS  21           HN       LYS  21   0.043  -0.237  -6.420
  154    HA   LYS  21           HA       LYS  21   2.316   0.435  -5.412
  155    HB2  LYS  21           HB2      LYS  21   1.473  -0.651  -7.724
  156    HB3  LYS  21           HB1      LYS  21   2.035   0.924  -8.273
  157    HG2  LYS  21           HG2      LYS  21   4.226   0.497  -7.648
  158    HG3  LYS  21           HG1      LYS  21   3.752  -0.989  -6.798
  159    HD2  LYS  21           HD2      LYS  21   3.037  -2.026  -8.810
  160    HD3  LYS  21           HD1      LYS  21   3.223  -0.529  -9.719
  161    HE2  LYS  21           HE2      LYS  21   4.993  -2.003 -10.214
  162    HE3  LYS  21           HE1      LYS  21   5.558  -0.584  -9.308
  163    HZ1  LYS  21           HZ1      LYS  21   6.617  -2.655  -8.507
  164    HZ2  LYS  21           HZ2      LYS  21   5.108  -3.311  -8.166
  165    HZ3  LYS  21           HZ3      LYS  21   5.665  -1.996  -7.282
  166    H    ASN  22           HN       ASN  22   0.302   2.179  -7.768
  167    HA   ASN  22           HA       ASN  22   1.847   4.497  -8.075
  168    HB2  ASN  22           HB2      ASN  22  -1.105   4.083  -8.546
  169    HB3  ASN  22           HB1      ASN  22  -0.237   5.545  -8.991
  170   HD21  ASN  22          HD21      ASN  22  -1.625   3.702 -10.723
  171   HD22  ASN  22          HD22      ASN  22  -0.451   3.113 -11.846
  172    H    VAL  23           HN       VAL  23  -0.899   3.823  -5.962
  173    HA   VAL  23           HA       VAL  23  -1.030   6.420  -4.917
  174    HB   VAL  23           HB       VAL  23  -1.881   3.818  -3.617
  175   HG11  VAL  23          HG11      VAL  23  -2.621   6.666  -2.951
  176   HG12  VAL  23          HG12      VAL  23  -1.642   5.593  -1.955
  177   HG13  VAL  23          HG13      VAL  23  -3.350   5.246  -2.211
  178   HG21  VAL  23          HG21      VAL  23  -4.160   4.575  -4.369
  179   HG22  VAL  23          HG22      VAL  23  -3.071   4.080  -5.659
  180   HG23  VAL  23          HG23      VAL  23  -3.354   5.806  -5.344
  181    H    CYS  24           HN       CYS  24   0.698   3.551  -3.776
  182    HA   CYS  24           HA       CYS  24   1.867   4.795  -1.546
  183    HB2  CYS  24           HB2      CYS  24   2.595   2.351  -3.119
  184    HB3  CYS  24           HB1      CYS  24   3.491   2.804  -1.683
  185    H    ARG  25           HN       ARG  25   2.875   4.548  -4.879
  186    HA   ARG  25           HA       ARG  25   5.436   5.619  -4.455
  187    HB2  ARG  25           HB2      ARG  25   3.723   5.515  -6.936
  188    HB3  ARG  25           HB1      ARG  25   5.399   6.064  -6.939
  189    HG2  ARG  25           HG2      ARG  25   6.223   3.948  -6.355
  190    HG3  ARG  25           HG1      ARG  25   4.641   3.389  -5.820
  191    HD2  ARG  25           HD2      ARG  25   5.058   2.329  -7.877
  192    HD3  ARG  25           HD1      ARG  25   3.881   3.618  -8.167
  193    HE   ARG  25           HE       ARG  25   6.691   4.052  -8.612
  194   HH11  ARG  25          HH11      ARG  25   3.400   3.860 -10.020
  195   HH12  ARG  25          HH12      ARG  25   3.837   4.439 -11.524
  196   HH21  ARG  25          HH21      ARG  25   7.303   4.868 -10.779
  197   HH22  ARG  25          HH22      ARG  25   6.126   5.023 -11.996
  198    H    THR  26           HN       THR  26   2.288   6.978  -4.838
  199    HA   THR  26           HA       THR  26   3.186   9.705  -5.067
  200    HB   THR  26           HB       THR  26   0.407   8.679  -4.369
  201    HG1  THR  26           HG1      THR  26   1.227   7.847  -6.411
  202   HG21  THR  26          HG21      THR  26  -0.358  10.813  -5.322
  203   HG22  THR  26          HG22      THR  26   1.314  11.283  -5.623
  204   HG23  THR  26          HG23      THR  26   0.739  11.087  -3.968
  205    H    GLU  27           HN       GLU  27   2.194   7.508  -2.473
  206    HA   GLU  27           HA       GLU  27   2.195   9.369  -0.341
  207    HB2  GLU  27           HB2      GLU  27   2.736   6.395  -0.399
  208    HB3  GLU  27           HB1      GLU  27   2.703   7.316   1.102
  209    HG2  GLU  27           HG2      GLU  27   0.406   7.294  -0.803
  210    HG3  GLU  27           HG1      GLU  27   0.492   6.054   0.396
  211    H    GLY  28           HN       GLY  28   4.742   7.325  -1.633
  212    HA2  GLY  28           HA2      GLY  28   6.918   8.698  -1.801
  213    HA3  GLY  28           HA1      GLY  28   6.718   8.839  -0.054
  214    H    PHE  29           HN       PHE  29   6.039   6.074  -2.109
  215    HA   PHE  29           HA       PHE  29   8.111   4.567  -0.703
  216    HB2  PHE  29           HB2      PHE  29   5.301   3.741  -1.394
  217    HB3  PHE  29           HB1      PHE  29   6.510   2.606  -0.833
  218    HD1  PHE  29           HD1      PHE  29   4.326   5.351   0.033
  219    HD2  PHE  29           HD2      PHE  29   7.168   2.580   1.487
  220    HE1  PHE  29           HE1      PHE  29   3.611   5.878   2.295
  221    HE2  PHE  29           HE2      PHE  29   6.512   3.069   3.785
  222    HZ   PHE  29           HZ       PHE  29   4.709   4.742   4.222
  223    HA   PRO  30           HA       PRO  30   9.467   3.435  -4.758
  224    HB2  PRO  30           HB2      PRO  30  10.192   0.804  -4.201
  225    HB3  PRO  30           HB1      PRO  30  11.241   2.206  -3.947
  226    HG2  PRO  30           HG2      PRO  30   9.646   0.686  -1.977
  227    HG3  PRO  30           HG1      PRO  30  11.193   1.526  -1.776
  228    HD2  PRO  30           HD2      PRO  30   8.877   2.503  -0.839
  229    HD3  PRO  30           HD1      PRO  30  10.201   3.546  -1.388
  230    H    THR  31           HN       THR  31   7.222   1.267  -3.002
  231    HA   THR  31           HA       THR  31   5.804   0.814  -5.406
  232    HB   THR  31           HB       THR  31   7.568  -0.784  -5.791
  233    HG1  THR  31           HG1      THR  31   5.728  -2.599  -4.853
  234   HG21  THR  31          HG21      THR  31   6.996  -1.819  -3.011
  235   HG22  THR  31          HG22      THR  31   8.475  -1.050  -3.577
  236   HG23  THR  31          HG23      THR  31   8.027  -2.650  -4.178
  237    H    GLY  32           HN       GLY  32   4.008  -0.850  -4.902
  238    HA2  GLY  32           HA2      GLY  32   3.226  -0.907  -2.163
  239    HA3  GLY  32           HA1      GLY  32   2.171  -0.022  -3.284
  240    H    SER  33           HN       SER  33   1.535  -2.382  -1.928
  241    HA   SER  33           HA       SER  33   0.725  -4.018  -4.106
  242    HB2  SER  33           HB2      SER  33   2.815  -4.842  -2.176
  243    HB3  SER  33           HB1      SER  33   1.819  -6.103  -2.935
  244    HG   SER  33           HG       SER  33   2.851  -4.156  -4.561
  245    H    CYS  34           HN       CYS  34  -0.721  -5.795  -3.283
  246    HA   CYS  34           HA       CYS  34  -2.418  -4.501  -1.358
  247    HB2  CYS  34           HB2      CYS  34  -2.981  -6.798  -3.202
  248    HB3  CYS  34           HB1      CYS  34  -4.161  -5.873  -2.279
  249    H    ASP  35           HN       ASP  35  -3.558  -5.705   0.214
  250    HA   ASP  35           HA       ASP  35  -2.464  -8.238   1.124
  251    HB2  ASP  35           HB2      ASP  35  -1.099  -6.528   2.066
  252    HB3  ASP  35           HB1      ASP  35  -2.512  -5.623   2.563
  253    H    PHE  36           HN       PHE  36  -3.951  -9.239   2.625
  254    HA   PHE  36           HA       PHE  36  -6.581  -7.992   2.670
  255    HB2  PHE  36           HB2      PHE  36  -6.418 -10.063   1.191
  256    HB3  PHE  36           HB1      PHE  36  -6.009 -10.975   2.634
  257    HD1  PHE  36           HD1      PHE  36  -7.983  -9.808   4.591
  258    HD2  PHE  36           HD2      PHE  36  -8.439 -10.947   0.522
  259    HE1  PHE  36           HE1      PHE  36 -10.349 -10.232   5.007
  260    HE2  PHE  36           HE2      PHE  36 -10.840 -11.372   0.914
  261    HZ   PHE  36           HZ       PHE  36 -11.802 -11.027   3.158
  262    H    HIS  37           HN       HIS  37  -6.679  -7.259   4.621
  263    HA   HIS  37           HA       HIS  37  -6.268  -9.148   6.830
  264    HB2  HIS  37           HB2      HIS  37  -4.785  -7.711   8.047
  265    HB3  HIS  37           HB1      HIS  37  -4.340  -7.471   6.349
  266    HD1  HIS  37           HD1      HIS  37  -5.716  -5.663   9.238
  267    HD2  HIS  37           HD2      HIS  37  -4.968  -5.013   5.218
  268    HE1  HIS  37           HE1      HIS  37  -5.831  -3.163   8.907
  269    HE2  HIS  37           HE2      HIS  37  -4.721  -2.978   6.698
  270    H    VAL  38           HN       VAL  38  -8.367  -7.548   5.187
  271    HA   VAL  38           HA       VAL  38 -10.098  -6.823   7.332
  272    HB   VAL  38           HB       VAL  38 -10.646  -4.588   6.118
  273   HG11  VAL  38          HG11      VAL  38  -9.581  -4.547   8.304
  274   HG12  VAL  38          HG12      VAL  38  -8.878  -3.299   7.258
  275   HG13  VAL  38          HG13      VAL  38  -8.004  -4.794   7.553
  276   HG21  VAL  38          HG21      VAL  38  -8.817  -3.544   4.847
  277   HG22  VAL  38          HG22      VAL  38  -9.318  -5.057   4.064
  278   HG23  VAL  38          HG23      VAL  38  -7.861  -5.003   5.041
  279    H    ALA  39           HN       ALA  39 -12.278  -6.436   6.474
  280    HA   ALA  39           HA       ALA  39 -12.870  -8.219   4.370
  281    HB1  ALA  39           HB1      ALA  39 -15.207  -7.523   4.705
  282    HB2  ALA  39           HB2      ALA  39 -14.667  -6.204   5.742
  283    HB3  ALA  39           HB3      ALA  39 -14.428  -7.877   6.247
  284    H    GLY  40           HN       GLY  40 -11.681  -7.438   2.766
  285    HA2  GLY  40           HA2      GLY  40 -12.692  -6.198   0.670
  286    HA3  GLY  40           HA1      GLY  40 -12.096  -4.843   1.642
  287    H    ARG  41           HN       ARG  41 -10.364  -4.317   0.338
  288    HA   ARG  41           HA       ARG  41  -8.142  -6.172   0.540
  289    HB2  ARG  41           HB2      ARG  41  -9.106  -4.977  -2.062
  290    HB3  ARG  41           HB1      ARG  41  -7.468  -5.625  -1.789
  291    HG2  ARG  41           HG2      ARG  41  -8.203  -7.631  -1.395
  292    HG3  ARG  41           HG1      ARG  41  -9.954  -7.282  -1.307
  293    HD2  ARG  41           HD2      ARG  41  -9.650  -8.355  -3.376
  294    HD3  ARG  41           HD1      ARG  41  -9.466  -6.668  -3.838
  295    HE   ARG  41           HE       ARG  41  -7.090  -6.963  -3.782
  296   HH11  ARG  41          HH11      ARG  41  -8.944  -9.988  -3.715
  297   HH12  ARG  41          HH12      ARG  41  -7.786 -10.909  -4.546
  298   HH21  ARG  41          HH21      ARG  41  -5.491  -8.226  -4.992
  299   HH22  ARG  41          HH22      ARG  41  -5.739  -9.868  -5.298
  300    H    LYS  42           HN       LYS  42  -6.435  -5.154   1.364
  301    HA   LYS  42           HA       LYS  42  -6.632  -2.267   1.407
  302    HB2  LYS  42           HB2      LYS  42  -6.851  -3.305   3.594
  303    HB3  LYS  42           HB1      LYS  42  -5.393  -4.226   3.371
  304    HG2  LYS  42           HG2      LYS  42  -5.135  -2.305   4.892
  305    HG3  LYS  42           HG1      LYS  42  -4.044  -2.254   3.516
  306    HD2  LYS  42           HD2      LYS  42  -5.412  -0.568   2.448
  307    HD3  LYS  42           HD1      LYS  42  -6.623  -0.699   3.739
  308    HE2  LYS  42           HE2      LYS  42  -5.208   0.174   5.312
  309    HE3  LYS  42           HE1      LYS  42  -3.767  -0.033   4.320
  310    HZ1  LYS  42           HZ1      LYS  42  -5.968   1.943   3.742
  311    HZ2  LYS  42           HZ2      LYS  42  -4.536   1.742   2.842
  312    HZ3  LYS  42           HZ3      LYS  42  -4.450   2.345   4.364
  313    H    CYS  43           HN       CYS  43  -5.041  -1.090   0.706
  314    HA   CYS  43           HA       CYS  43  -2.863  -2.289  -0.754
  315    HB2  CYS  43           HB2      CYS  43  -4.016  -0.509  -1.810
  316    HB3  CYS  43           HB1      CYS  43  -3.927   0.493  -0.376
  317    H    TYR  44           HN       TYR  44  -0.763  -2.329  -0.084
  318    HA   TYR  44           HA       TYR  44  -0.035  -0.712   2.207
  319    HB2  TYR  44           HB2      TYR  44   0.490  -3.596   1.696
  320    HB3  TYR  44           HB1      TYR  44   1.590  -2.618   2.657
  321    HD1  TYR  44           HD1      TYR  44   1.161  -2.194   4.888
  322    HD2  TYR  44           HD2      TYR  44  -1.883  -3.767   2.426
  323    HE1  TYR  44           HE1      TYR  44  -0.179  -2.641   6.877
  324    HE2  TYR  44           HE2      TYR  44  -3.257  -4.223   4.360
  325    HH   TYR  44           HH       TYR  44  -2.592  -4.700   6.859
  326    H    CYS  45           HN       CYS  45   1.970  -0.010   2.179
  327    HA   CYS  45           HA       CYS  45   3.143   0.125  -0.443
  328    HB2  CYS  45           HB2      CYS  45   3.710   1.764   2.029
  329    HB3  CYS  45           HB1      CYS  45   4.192   2.128   0.408
  330    H    TYR  46           HN       TYR  46   5.192  -0.539  -0.797
  331    HA   TYR  46           HA       TYR  46   6.426  -1.988   1.407
  332    HB2  TYR  46           HB2      TYR  46   6.269  -2.627  -1.493
  333    HB3  TYR  46           HB1      TYR  46   7.535  -3.328  -0.489
  334    HD1  TYR  46           HD1      TYR  46   7.112  -5.321   0.575
  335    HD2  TYR  46           HD2      TYR  46   3.785  -2.976  -0.660
  336    HE1  TYR  46           HE1      TYR  46   5.624  -7.111   1.239
  337    HE2  TYR  46           HE2      TYR  46   2.278  -4.712   0.005
  338    HH   TYR  46           HH       TYR  46   2.355  -7.209   0.296
  339    H    LYS  47           HN       LYS  47   8.418  -1.693   1.874
  340    HA   LYS  47           HA       LYS  47  10.111  -0.131   0.142
  341    HB2  LYS  47           HB2      LYS  47  10.723   1.470   1.948
  342    HB3  LYS  47           HB1      LYS  47   9.071   1.647   1.388
  343    HG2  LYS  47           HG2      LYS  47   8.258   0.492   3.376
  344    HG3  LYS  47           HG1      LYS  47   9.905   0.220   3.924
  345    HD2  LYS  47           HD2      LYS  47  10.239   2.660   4.031
  346    HD3  LYS  47           HD1      LYS  47   8.550   2.892   3.580
  347    HE2  LYS  47           HE2      LYS  47   8.743   3.075   5.977
  348    HE3  LYS  47           HE1      LYS  47   7.898   1.576   5.587
  349    HZ1  LYS  47           HZ1      LYS  47   9.996   0.362   5.939
  350    HZ2  LYS  47           HZ2      LYS  47   9.553   1.219   7.317
  351    HZ3  LYS  47           HZ3      LYS  47  10.773   1.808   6.315
  352    HA   PRO  48           HA       PRO  48  13.021  -2.967   1.839
  353    HB2  PRO  48           HB2      PRO  48  15.323  -1.743   1.140
  354    HB3  PRO  48           HB1      PRO  48  14.276  -2.516  -0.069
  355    HG2  PRO  48           HG2      PRO  48  14.556   0.361   0.591
  356    HG3  PRO  48           HG1      PRO  48  14.355  -0.423  -0.989
  357    HD2  PRO  48           HD2      PRO  48  12.300   0.780   0.336
  358    HD3  PRO  48           HD1      PRO  48  12.094  -0.574  -0.790
  359    H    CYS  49           HN       CYS  49  13.242  -3.159   3.822
  360    HA   CYS  49           HA       CYS  49  14.718  -1.183   5.437
  361    HB2  CYS  49           HB2      CYS  49  12.767  -3.381   6.177
  362    HB3  CYS  49           HB1      CYS  49  13.678  -2.435   7.372
  363    HA   PRO  50           HA       PRO  50  17.990  -4.197   5.511
  364    HB2  PRO  50           HB2      PRO  50  18.097  -4.134   8.475
  365    HB3  PRO  50           HB1      PRO  50  19.356  -3.674   7.309
  366    HG2  PRO  50           HG2      PRO  50  18.107  -1.824   8.723
  367    HG3  PRO  50           HG1      PRO  50  18.543  -1.551   7.023
  368    HD2  PRO  50           HD2      PRO  50  15.880  -2.240   8.183
  369    HD3  PRO  50           HD1      PRO  50  16.289  -1.077   6.905
  Start of MODEL    3
    1    H1   ARG   1           HT1      ARG   1  15.147  -6.692   3.659
    2    H2   ARG   1           HT2      ARG   1  15.546  -6.610   5.353
    3    H3   ARG   1           HT3      ARG   1  14.990  -5.318   4.583
    4    HA   ARG   1           HA       ARG   1  13.229  -7.627   4.765
    5    HB2  ARG   1           HB2      ARG   1  13.628  -5.323   6.655
    6    HB3  ARG   1           HB1      ARG   1  12.106  -6.189   6.553
    7    HG2  ARG   1           HG2      ARG   1  13.136  -8.209   7.307
    8    HG3  ARG   1           HG1      ARG   1  14.742  -7.479   7.203
    9    HD2  ARG   1           HD2      ARG   1  14.212  -5.918   8.933
   10    HD3  ARG   1           HD1      ARG   1  12.543  -6.444   8.975
   11    HE   ARG   1           HE       ARG   1  13.208  -8.510   9.924
   12   HH11  ARG   1          HH11      ARG   1  15.924  -6.234   9.699
   13   HH12  ARG   1          HH12      ARG   1  16.797  -6.872  10.986
   14   HH21  ARG   1          HH21      ARG   1  14.430  -9.454  11.741
   15   HH22  ARG   1          HH22      ARG   1  15.926  -8.770  12.184
   16    H    MET   2           HN       MET   2  11.087  -7.173   4.326
   17    HA   MET   2           HA       MET   2  10.652  -4.773   2.697
   18    HB2  MET   2           HB2      MET   2   9.268  -7.452   2.765
   19    HB3  MET   2           HB1      MET   2   8.656  -6.058   1.891
   20    HG2  MET   2           HG2      MET   2  10.635  -6.015   0.522
   21    HG3  MET   2           HG1      MET   2  11.303  -7.371   1.424
   22    HE1  MET   2           HE1      MET   2   8.776 -10.247   0.357
   23    HE2  MET   2           HE2      MET   2   8.594  -9.195   1.754
   24    HE3  MET   2           HE3      MET   2  10.181  -9.850   1.345
   25    H    CYS   3           HN       CYS   3   9.943  -3.312   3.857
   26    HA   CYS   3           HA       CYS   3   8.292  -3.829   6.162
   27    HB2  CYS   3           HB2      CYS   3   9.656  -1.508   4.980
   28    HB3  CYS   3           HB1      CYS   3   8.261  -1.150   6.005
   29    H    LYS   4           HN       LYS   4   6.248  -4.121   5.972
   30    HA   LYS   4           HA       LYS   4   4.845  -3.098   3.645
   31    HB2  LYS   4           HB2      LYS   4   4.755  -5.544   4.435
   32    HB3  LYS   4           HB1      LYS   4   3.824  -4.955   5.803
   33    HG2  LYS   4           HG2      LYS   4   2.077  -4.178   4.333
   34    HG3  LYS   4           HG1      LYS   4   3.057  -4.586   2.931
   35    HD2  LYS   4           HD2      LYS   4   1.450  -6.290   3.172
   36    HD3  LYS   4           HD1      LYS   4   3.007  -6.941   3.639
   37    HE2  LYS   4           HE2      LYS   4   2.440  -6.680   6.020
   38    HE3  LYS   4           HE1      LYS   4   0.875  -5.999   5.575
   39    HZ1  LYS   4           HZ1      LYS   4   0.309  -8.125   4.512
   40    HZ2  LYS   4           HZ2      LYS   4   0.588  -8.329   6.118
   41    HZ3  LYS   4           HZ3      LYS   4   1.770  -8.789   4.980
   42    H    THR   5           HN       THR   5   4.077  -1.140   3.944
   43    HA   THR   5           HA       THR   5   3.241  -0.225   6.602
   44    HB   THR   5           HB       THR   5   4.346   1.163   4.184
   45    HG1  THR   5           HG1      THR   5   5.403  -0.022   6.272
   46   HG21  THR   5          HG21      THR   5   2.771   2.633   5.251
   47   HG22  THR   5          HG22      THR   5   4.410   3.204   5.533
   48   HG23  THR   5          HG23      THR   5   3.524   2.380   6.837
   49    HA   PRO   6           HA       PRO   6  -0.836  -0.028   4.614
   50    HB2  PRO   6           HB2      PRO   6  -2.102   1.320   6.619
   51    HB3  PRO   6           HB1      PRO   6  -1.839  -0.436   6.557
   52    HG2  PRO   6           HG2      PRO   6  -0.484   1.590   8.215
   53    HG3  PRO   6           HG1      PRO   6  -0.724  -0.139   8.518
   54    HD2  PRO   6           HD2      PRO   6   1.660   1.044   7.645
   55    HD3  PRO   6           HD1      PRO   6   1.269  -0.683   7.592
   56    H    SER   7           HN       SER   7  -0.982   1.248   2.999
   57    HA   SER   7           HA       SER   7  -0.258   3.846   2.569
   58    HB2  SER   7           HB2      SER   7  -2.738   2.600   1.493
   59    HB3  SER   7           HB1      SER   7  -1.573   3.584   0.616
   60    HG   SER   7           HG       SER   7  -0.233   1.927   0.494
   61    H    GLY   8           HN       GLY   8  -1.258   5.815   2.849
   62    HA2  GLY   8           HA2      GLY   8  -3.557   5.803   4.679
   63    HA3  GLY   8           HA1      GLY   8  -2.363   7.081   4.551
   64    H    LYS   9           HN       LYS   9  -2.753   6.749   1.403
   65    HA   LYS   9           HA       LYS   9  -5.190   8.460   1.387
   66    HB2  LYS   9           HB2      LYS   9  -4.280   9.727  -0.258
   67    HB3  LYS   9           HB1      LYS   9  -3.123   9.647   1.076
   68    HG2  LYS   9           HG2      LYS   9  -1.814   8.112  -0.090
   69    HG3  LYS   9           HG1      LYS   9  -3.029   7.983  -1.368
   70    HD2  LYS   9           HD2      LYS   9  -2.904  10.354  -1.513
   71    HD3  LYS   9           HD1      LYS   9  -1.382  10.282  -0.591
   72    HE2  LYS   9           HE2      LYS   9  -0.660   8.461  -2.163
   73    HE3  LYS   9           HE1      LYS   9  -2.059   8.885  -3.136
   74    HZ1  LYS   9           HZ1      LYS   9  -1.105  11.092  -3.476
   75    HZ2  LYS   9           HZ2      LYS   9  -0.139   9.805  -4.023
   76    HZ3  LYS   9           HZ3      LYS   9   0.289  10.607  -2.593
   77    H    PHE  10           HN       PHE  10  -4.507   5.589   0.842
   78    HA   PHE  10           HA       PHE  10  -4.907   5.074  -1.869
   79    HB2  PHE  10           HB2      PHE  10  -3.957   3.467  -0.277
   80    HB3  PHE  10           HB1      PHE  10  -5.555   3.261   0.429
   81    HD1  PHE  10           HD1      PHE  10  -6.888   1.533  -0.389
   82    HD2  PHE  10           HD2      PHE  10  -3.867   3.253  -2.755
   83    HE1  PHE  10           HE1      PHE  10  -7.381  -0.113  -2.149
   84    HE2  PHE  10           HE2      PHE  10  -4.322   1.599  -4.576
   85    HZ   PHE  10           HZ       PHE  10  -6.095  -0.086  -4.248
   86    H    LYS  11           HN       LYS  11  -6.475   4.698  -3.064
   87    HA   LYS  11           HA       LYS  11  -9.166   5.056  -2.058
   88    HB2  LYS  11           HB2      LYS  11  -9.460   6.229  -4.479
   89    HB3  LYS  11           HB1      LYS  11  -9.145   7.102  -2.998
   90    HG2  LYS  11           HG2      LYS  11  -7.746   7.958  -4.792
   91    HG3  LYS  11           HG1      LYS  11  -6.751   7.211  -3.556
   92    HD2  LYS  11           HD2      LYS  11  -5.880   6.654  -5.743
   93    HD3  LYS  11           HD1      LYS  11  -6.544   5.201  -5.010
   94    HE2  LYS  11           HE2      LYS  11  -8.546   5.400  -6.366
   95    HE3  LYS  11           HE1      LYS  11  -7.965   6.924  -7.039
   96    HZ1  LYS  11           HZ1      LYS  11  -6.143   5.768  -8.064
   97    HZ2  LYS  11           HZ2      LYS  11  -7.574   4.992  -8.524
   98    HZ3  LYS  11           HZ3      LYS  11  -6.571   4.308  -7.358
   99    H    GLY  12           HN       GLY  12 -10.444   3.473  -2.494
  100    HA2  GLY  12           HA2      GLY  12 -11.700   2.216  -4.083
  101    HA3  GLY  12           HA1      GLY  12 -10.265   2.135  -5.095
  102    H    TYR  13           HN       TYR  13 -11.219  -0.182  -4.922
  103    HA   TYR  13           HA       TYR  13 -10.313  -1.626  -2.604
  104    HB2  TYR  13           HB2      TYR  13 -12.058  -2.116  -4.833
  105    HB3  TYR  13           HB1      TYR  13 -10.871  -3.408  -4.699
  106    HD1  TYR  13           HD1      TYR  13 -13.652  -1.701  -3.046
  107    HD2  TYR  13           HD2      TYR  13 -10.855  -4.888  -2.819
  108    HE1  TYR  13           HE1      TYR  13 -14.952  -2.686  -1.232
  109    HE2  TYR  13           HE2      TYR  13 -12.126  -5.904  -1.007
  110    HH   TYR  13           HH       TYR  13 -13.835  -5.119   0.809
  111    H    CYS  14           HN       CYS  14  -8.488  -2.861  -2.491
  112    HA   CYS  14           HA       CYS  14  -6.576  -2.324  -4.580
  113    HB2  CYS  14           HB2      CYS  14  -6.146  -2.215  -1.982
  114    HB3  CYS  14           HB1      CYS  14  -5.902  -3.946  -2.135
  115    H    VAL  15           HN       VAL  15  -8.138  -3.665  -5.860
  116    HA   VAL  15           HA       VAL  15  -7.513  -6.485  -5.747
  117    HB   VAL  15           HB       VAL  15  -8.962  -6.694  -7.805
  118   HG11  VAL  15          HG11      VAL  15 -11.086  -6.198  -6.666
  119   HG12  VAL  15          HG12      VAL  15 -10.200  -5.270  -5.454
  120   HG13  VAL  15          HG13      VAL  15  -9.931  -7.005  -5.605
  121   HG21  VAL  15          HG21      VAL  15 -10.322  -4.765  -8.507
  122   HG22  VAL  15          HG22      VAL  15  -8.603  -4.442  -8.735
  123   HG23  VAL  15          HG23      VAL  15  -9.456  -3.742  -7.362
  124    H    ASN  16           HN       ASN  16  -6.602  -3.642  -7.418
  125    HA   ASN  16           HA       ASN  16  -4.746  -5.142  -9.113
  126    HB2  ASN  16           HB2      ASN  16  -6.182  -3.743 -10.460
  127    HB3  ASN  16           HB1      ASN  16  -5.893  -2.354  -9.424
  128   HD21  ASN  16          HD21      ASN  16  -5.237  -1.156 -11.239
  129   HD22  ASN  16          HD22      ASN  16  -3.702  -1.390 -11.988
  130    H    ASN  17           HN       ASN  17  -2.833  -5.248  -8.348
  131    HA   ASN  17           HA       ASN  17  -1.899  -3.830  -6.111
  132    HB2  ASN  17           HB2      ASN  17  -0.328  -5.434  -8.132
  133    HB3  ASN  17           HB1      ASN  17   0.356  -4.778  -6.654
  134   HD21  ASN  17          HD21      ASN  17  -1.540  -7.284  -8.062
  135   HD22  ASN  17          HD22      ASN  17  -1.774  -8.190  -6.615
  136    H    THR  18           HN       THR  18  -1.628  -3.153  -9.501
  137    HA   THR  18           HA       THR  18   0.481  -1.303  -9.397
  138    HB   THR  18           HB       THR  18  -1.834  -1.377 -11.349
  139    HG1  THR  18           HG1      THR  18  -1.046  -3.253 -11.968
  140   HG21  THR  18          HG21      THR  18   1.080  -0.590 -11.662
  141   HG22  THR  18          HG22      THR  18  -0.273   0.539 -11.588
  142   HG23  THR  18          HG23      THR  18  -0.133  -0.583 -12.942
  143    H    ASN  19           HN       ASN  19  -2.961  -1.036  -8.540
  144    HA   ASN  19           HA       ASN  19  -3.189   1.816  -8.743
  145    HB2  ASN  19           HB2      ASN  19  -5.205   0.309  -8.743
  146    HB3  ASN  19           HB1      ASN  19  -4.803  -0.183  -7.104
  147   HD21  ASN  19          HD21      ASN  19  -6.812   0.470  -6.339
  148   HD22  ASN  19          HD22      ASN  19  -7.231   2.109  -6.073
  149    H    CYS  20           HN       CYS  20  -2.707  -0.559  -6.203
  150    HA   CYS  20           HA       CYS  20  -2.331   0.996  -3.911
  151    HB2  CYS  20           HB2      CYS  20  -2.243  -1.658  -4.281
  152    HB3  CYS  20           HB1      CYS  20  -0.601  -1.323  -4.584
  153    H    LYS  21           HN       LYS  21  -0.212  -0.237  -6.334
  154    HA   LYS  21           HA       LYS  21   2.136   0.336  -5.368
  155    HB2  LYS  21           HB2      LYS  21   1.184  -0.727  -7.643
  156    HB3  LYS  21           HB1      LYS  21   1.846   0.805  -8.218
  157    HG2  LYS  21           HG2      LYS  21   4.005   0.241  -7.586
  158    HG3  LYS  21           HG1      LYS  21   3.439  -1.200  -6.717
  159    HD2  LYS  21           HD2      LYS  21   2.626  -2.186  -8.737
  160    HD3  LYS  21           HD1      LYS  21   2.990  -0.726  -9.650
  161    HE2  LYS  21           HE2      LYS  21   4.610  -2.401 -10.068
  162    HE3  LYS  21           HE1      LYS  21   5.295  -1.014  -9.189
  163    HZ1  LYS  21           HZ1      LYS  21   6.095  -3.196  -8.337
  164    HZ2  LYS  21           HZ2      LYS  21   4.513  -3.609  -7.926
  165    HZ3  LYS  21           HZ3      LYS  21   5.283  -2.330  -7.142
  166    H    ASN  22           HN       ASN  22   0.184   2.188  -7.708
  167    HA   ASN  22           HA       ASN  22   1.941   4.367  -8.017
  168    HB2  ASN  22           HB2      ASN  22  -1.008   4.171  -8.593
  169    HB3  ASN  22           HB1      ASN  22  -0.010   5.547  -9.044
  170   HD21  ASN  22          HD21      ASN  22  -1.461   3.758 -10.777
  171   HD22  ASN  22          HD22      ASN  22  -0.304   3.033 -11.832
  172    H    VAL  23           HN       VAL  23  -0.792   3.844  -5.889
  173    HA   VAL  23           HA       VAL  23  -0.781   6.499  -4.848
  174    HB   VAL  23           HB       VAL  23  -1.743   3.942  -3.526
  175   HG11  VAL  23          HG11      VAL  23  -3.080   5.428  -2.121
  176   HG12  VAL  23          HG12      VAL  23  -2.426   6.818  -2.992
  177   HG13  VAL  23          HG13      VAL  23  -1.368   5.836  -1.998
  178   HG21  VAL  23          HG21      VAL  23  -2.864   4.290  -5.655
  179   HG22  VAL  23          HG22      VAL  23  -3.234   5.958  -5.205
  180   HG23  VAL  23          HG23      VAL  23  -3.976   4.622  -4.321
  181    H    CYS  24           HN       CYS  24   0.726   3.507  -3.717
  182    HA   CYS  24           HA       CYS  24   2.028   4.672  -1.538
  183    HB2  CYS  24           HB2      CYS  24   2.635   2.237  -3.194
  184    HB3  CYS  24           HB1      CYS  24   3.564   2.633  -1.758
  185    H    ARG  25           HN       ARG  25   2.999   4.307  -4.888
  186    HA   ARG  25           HA       ARG  25   5.599   5.298  -4.601
  187    HB2  ARG  25           HB2      ARG  25   3.781   5.279  -7.005
  188    HB3  ARG  25           HB1      ARG  25   5.488   5.709  -7.072
  189    HG2  ARG  25           HG2      ARG  25   6.176   3.542  -6.456
  190    HG3  ARG  25           HG1      ARG  25   4.553   3.093  -5.936
  191    HD2  ARG  25           HD2      ARG  25   4.876   2.019  -7.988
  192    HD3  ARG  25           HD1      ARG  25   3.850   3.430  -8.305
  193    HE   ARG  25           HE       ARG  25   6.682   3.650  -8.636
  194   HH11  ARG  25          HH11      ARG  25   3.487   3.469 -10.265
  195   HH12  ARG  25          HH12      ARG  25   4.067   3.891 -11.780
  196   HH21  ARG  25          HH21      ARG  25   7.478   4.257 -10.808
  197   HH22  ARG  25          HH22      ARG  25   6.401   4.355 -12.121
  198    H    THR  26           HN       THR  26   2.511   6.870  -4.950
  199    HA   THR  26           HA       THR  26   3.734   9.458  -5.181
  200    HB   THR  26           HB       THR  26   1.276  10.185  -4.776
  201    HG1  THR  26           HG1      THR  26   0.787   7.596  -5.645
  202   HG21  THR  26          HG21      THR  26   2.144   8.822  -7.306
  203   HG22  THR  26          HG22      THR  26   2.446  10.511  -6.880
  204   HG23  THR  26          HG23      THR  26   0.794   9.954  -7.184
  205    H    GLU  27           HN       GLU  27   2.311   7.601  -2.676
  206    HA   GLU  27           HA       GLU  27   2.407   9.602  -0.646
  207    HB2  GLU  27           HB2      GLU  27   2.522   6.573  -0.324
  208    HB3  GLU  27           HB1      GLU  27   2.530   7.665   1.054
  209    HG2  GLU  27           HG2      GLU  27   0.361   8.586   0.239
  210    HG3  GLU  27           HG1      GLU  27   0.410   7.340  -1.014
  211    H    GLY  28           HN       GLY  28   4.830   7.321  -1.722
  212    HA2  GLY  28           HA2      GLY  28   7.084   8.580  -1.773
  213    HA3  GLY  28           HA1      GLY  28   6.812   8.719  -0.038
  214    H    PHE  29           HN       PHE  29   6.152   5.994  -2.172
  215    HA   PHE  29           HA       PHE  29   8.127   4.419  -0.696
  216    HB2  PHE  29           HB2      PHE  29   5.329   3.623  -1.476
  217    HB3  PHE  29           HB1      PHE  29   6.527   2.522  -0.810
  218    HD1  PHE  29           HD1      PHE  29   4.265   5.301  -0.125
  219    HD2  PHE  29           HD2      PHE  29   7.064   2.568   1.506
  220    HE1  PHE  29           HE1      PHE  29   3.469   5.881   2.101
  221    HE2  PHE  29           HE2      PHE  29   6.321   3.103   3.755
  222    HZ   PHE  29           HZ       PHE  29   4.495   4.788   4.092
  223    HA   PRO  30           HA       PRO  30   9.486   3.196  -4.737
  224    HB2  PRO  30           HB2      PRO  30  10.133   0.551  -4.130
  225    HB3  PRO  30           HB1      PRO  30  11.224   1.924  -3.911
  226    HG2  PRO  30           HG2      PRO  30   9.611   0.483  -1.903
  227    HG3  PRO  30           HG1      PRO  30  11.165   1.314  -1.723
  228    HD2  PRO  30           HD2      PRO  30   8.842   2.327  -0.810
  229    HD3  PRO  30           HD1      PRO  30  10.188   3.341  -1.343
  230    H    THR  31           HN       THR  31   7.222   1.077  -2.963
  231    HA   THR  31           HA       THR  31   5.759   0.637  -5.362
  232    HB   THR  31           HB       THR  31   7.479  -1.015  -5.722
  233    HG1  THR  31           HG1      THR  31   5.644  -2.798  -4.766
  234   HG21  THR  31          HG21      THR  31   6.878  -1.969  -2.924
  235   HG22  THR  31          HG22      THR  31   8.379  -1.259  -3.503
  236   HG23  THR  31          HG23      THR  31   7.886  -2.861  -4.066
  237    H    GLY  32           HN       GLY  32   3.929  -0.994  -4.834
  238    HA2  GLY  32           HA2      GLY  32   3.117  -1.024  -2.108
  239    HA3  GLY  32           HA1      GLY  32   2.101  -0.084  -3.219
  240    H    SER  33           HN       SER  33   1.351  -2.445  -1.900
  241    HA   SER  33           HA       SER  33   0.563  -4.050  -4.128
  242    HB2  SER  33           HB2      SER  33   2.555  -4.922  -2.113
  243    HB3  SER  33           HB1      SER  33   1.584  -6.160  -2.930
  244    HG   SER  33           HG       SER  33   2.696  -4.220  -4.499
  245    H    CYS  34           HN       CYS  34  -0.968  -5.741  -3.461
  246    HA   CYS  34           HA       CYS  34  -2.679  -4.555  -1.438
  247    HB2  CYS  34           HB2      CYS  34  -3.280  -6.578  -3.574
  248    HB3  CYS  34           HB1      CYS  34  -4.455  -5.756  -2.552
  249    H    ASP  35           HN       ASP  35  -3.104  -5.512   0.404
  250    HA   ASP  35           HA       ASP  35  -2.250  -8.292   0.869
  251    HB2  ASP  35           HB2      ASP  35  -0.708  -6.634   1.783
  252    HB3  ASP  35           HB1      ASP  35  -2.049  -5.842   2.585
  253    H    PHE  36           HN       PHE  36  -3.363  -9.158   2.901
  254    HA   PHE  36           HA       PHE  36  -6.080  -8.156   3.061
  255    HB2  PHE  36           HB2      PHE  36  -6.400 -10.102   1.811
  256    HB3  PHE  36           HB1      PHE  36  -5.123 -10.968   2.647
  257    HD1  PHE  36           HD1      PHE  36  -8.282  -9.236   3.863
  258    HD2  PHE  36           HD2      PHE  36  -5.961 -12.813   3.664
  259    HE1  PHE  36           HE1      PHE  36  -9.922 -10.364   5.252
  260    HE2  PHE  36           HE2      PHE  36  -7.625 -13.957   5.081
  261    HZ   PHE  36           HZ       PHE  36  -9.608 -12.734   5.878
  262    H    HIS  37           HN       HIS  37  -6.404  -7.402   4.955
  263    HA   HIS  37           HA       HIS  37  -5.844  -9.078   7.270
  264    HB2  HIS  37           HB2      HIS  37  -4.547  -7.510   8.481
  265    HB3  HIS  37           HB1      HIS  37  -3.986  -7.274   6.825
  266    HD1  HIS  37           HD1      HIS  37  -5.617  -5.531   9.617
  267    HD2  HIS  37           HD2      HIS  37  -4.869  -4.841   5.600
  268    HE1  HIS  37           HE1      HIS  37  -5.988  -3.068   9.256
  269    HE2  HIS  37           HE2      HIS  37  -4.972  -2.721   7.021
  270    H    VAL  38           HN       VAL  38  -8.020  -7.681   5.484
  271    HA   VAL  38           HA       VAL  38  -9.845  -7.007   7.562
  272    HB   VAL  38           HB       VAL  38 -10.547  -4.861   6.272
  273   HG11  VAL  38          HG11      VAL  38  -9.537  -4.682   8.481
  274   HG12  VAL  38          HG12      VAL  38  -8.921  -3.403   7.419
  275   HG13  VAL  38          HG13      VAL  38  -7.931  -4.810   7.763
  276   HG21  VAL  38          HG21      VAL  38  -9.156  -5.215   4.252
  277   HG22  VAL  38          HG22      VAL  38  -7.712  -5.061   5.266
  278   HG23  VAL  38          HG23      VAL  38  -8.770  -3.685   5.054
  279    H    ALA  39           HN       ALA  39 -12.038  -6.601   6.510
  280    HA   ALA  39           HA       ALA  39 -12.496  -8.690   4.662
  281    HB1  ALA  39           HB1      ALA  39 -14.846  -8.023   4.762
  282    HB2  ALA  39           HB2      ALA  39 -14.402  -6.532   5.592
  283    HB3  ALA  39           HB3      ALA  39 -14.155  -8.089   6.383
  284    H    GLY  40           HN       GLY  40 -11.163  -8.089   3.040
  285    HA2  GLY  40           HA2      GLY  40 -12.017  -7.404   0.699
  286    HA3  GLY  40           HA1      GLY  40 -11.875  -5.798   1.421
  287    H    ARG  41           HN       ARG  41 -10.152  -5.006   0.324
  288    HA   ARG  41           HA       ARG  41  -7.634  -6.509   0.518
  289    HB2  ARG  41           HB2      ARG  41  -8.536  -4.593  -1.593
  290    HB3  ARG  41           HB1      ARG  41  -7.089  -5.595  -1.570
  291    HG2  ARG  41           HG2      ARG  41  -9.834  -6.701  -1.512
  292    HG3  ARG  41           HG1      ARG  41  -9.058  -6.341  -3.020
  293    HD2  ARG  41           HD2      ARG  41  -8.075  -8.248  -0.865
  294    HD3  ARG  41           HD1      ARG  41  -8.754  -8.718  -2.424
  295    HE   ARG  41           HE       ARG  41  -6.728  -7.256  -3.224
  296   HH11  ARG  41          HH11      ARG  41  -6.749  -9.644  -0.600
  297   HH12  ARG  41          HH12      ARG  41  -5.163 -10.200  -0.860
  298   HH21  ARG  41          HH21      ARG  41  -4.543  -8.070  -3.641
  299   HH22  ARG  41          HH22      ARG  41  -3.846  -9.246  -2.634
  300    H    LYS  42           HN       LYS  42  -6.034  -5.330   1.538
  301    HA   LYS  42           HA       LYS  42  -6.506  -2.457   1.760
  302    HB2  LYS  42           HB2      LYS  42  -6.465  -3.573   3.956
  303    HB3  LYS  42           HB1      LYS  42  -4.899  -4.260   3.594
  304    HG2  LYS  42           HG2      LYS  42  -4.632  -2.355   5.071
  305    HG3  LYS  42           HG1      LYS  42  -3.932  -1.978   3.499
  306    HD2  LYS  42           HD2      LYS  42  -5.856  -0.680   2.902
  307    HD3  LYS  42           HD1      LYS  42  -6.685  -1.108   4.415
  308    HE2  LYS  42           HE2      LYS  42  -5.854   1.030   4.799
  309    HE3  LYS  42           HE1      LYS  42  -4.666  -0.053   5.526
  310    HZ1  LYS  42           HZ1      LYS  42  -4.396   1.260   2.855
  311    HZ2  LYS  42           HZ2      LYS  42  -3.245   0.240   3.475
  312    HZ3  LYS  42           HZ3      LYS  42  -3.561   1.743   4.210
  313    H    CYS  43           HN       CYS  43  -5.129  -1.219   0.788
  314    HA   CYS  43           HA       CYS  43  -2.890  -2.238  -0.637
  315    HB2  CYS  43           HB2      CYS  43  -4.191  -0.355  -1.444
  316    HB3  CYS  43           HB1      CYS  43  -3.823   0.556   0.004
  317    H    TYR  44           HN       TYR  44  -0.821  -2.339   0.007
  318    HA   TYR  44           HA       TYR  44   0.006  -0.856   2.354
  319    HB2  TYR  44           HB2      TYR  44   0.409  -3.739   1.735
  320    HB3  TYR  44           HB1      TYR  44   1.604  -2.841   2.651
  321    HD1  TYR  44           HD1      TYR  44  -1.860  -3.989   2.625
  322    HD2  TYR  44           HD2      TYR  44   1.269  -2.338   4.920
  323    HE1  TYR  44           HE1      TYR  44  -3.087  -4.530   4.673
  324    HE2  TYR  44           HE2      TYR  44   0.066  -2.846   6.983
  325    HH   TYR  44           HH       TYR  44  -2.290  -4.981   7.113
  326    H    CYS  45           HN       CYS  45   1.932  -0.076   2.213
  327    HA   CYS  45           HA       CYS  45   3.122  -0.043  -0.403
  328    HB2  CYS  45           HB2      CYS  45   3.667   1.667   2.027
  329    HB3  CYS  45           HB1      CYS  45   4.212   1.979   0.420
  330    H    TYR  46           HN       TYR  46   5.191  -0.676  -0.723
  331    HA   TYR  46           HA       TYR  46   6.417  -2.043   1.533
  332    HB2  TYR  46           HB2      TYR  46   6.339  -2.784  -1.356
  333    HB3  TYR  46           HB1      TYR  46   7.578  -3.428  -0.287
  334    HD1  TYR  46           HD1      TYR  46   3.839  -3.196  -0.711
  335    HD2  TYR  46           HD2      TYR  46   7.141  -5.322   0.942
  336    HE1  TYR  46           HE1      TYR  46   2.354  -4.933  -0.045
  337    HE2  TYR  46           HE2      TYR  46   5.666  -7.120   1.599
  338    HH   TYR  46           HH       TYR  46   2.490  -7.409   0.431
  339    H    LYS  47           HN       LYS  47   8.369  -1.673   2.035
  340    HA   LYS  47           HA       LYS  47  10.086  -0.180   0.269
  341    HB2  LYS  47           HB2      LYS  47  10.622   1.536   1.984
  342    HB3  LYS  47           HB1      LYS  47   8.978   1.645   1.387
  343    HG2  LYS  47           HG2      LYS  47   8.161   0.585   3.430
  344    HG3  LYS  47           HG1      LYS  47   9.809   0.400   4.017
  345    HD2  LYS  47           HD2      LYS  47  10.068   2.848   3.974
  346    HD3  LYS  47           HD1      LYS  47   8.386   3.002   3.470
  347    HE2  LYS  47           HE2      LYS  47   8.505   3.348   5.848
  348    HE3  LYS  47           HE1      LYS  47   7.723   1.796   5.544
  349    HZ1  LYS  47           HZ1      LYS  47   9.853   0.687   6.028
  350    HZ2  LYS  47           HZ2      LYS  47   9.350   1.623   7.332
  351    HZ3  LYS  47           HZ3      LYS  47  10.570   2.184   6.313
  352    HA   PRO  48           HA       PRO  48  12.990  -2.873   2.208
  353    HB2  PRO  48           HB2      PRO  48  15.290  -1.659   1.492
  354    HB3  PRO  48           HB1      PRO  48  14.276  -2.499   0.299
  355    HG2  PRO  48           HG2      PRO  48  14.495   0.413   0.834
  356    HG3  PRO  48           HG1      PRO  48  14.367  -0.445  -0.716
  357    HD2  PRO  48           HD2      PRO  48  12.235   0.770   0.467
  358    HD3  PRO  48           HD1      PRO  48  12.103  -0.657  -0.579
  359    H    CYS  49           HN       CYS  49  13.196  -2.960   4.206
  360    HA   CYS  49           HA       CYS  49  14.621  -0.877   5.738
  361    HB2  CYS  49           HB2      CYS  49  12.635  -3.007   6.573
  362    HB3  CYS  49           HB1      CYS  49  13.506  -1.976   7.720
  363    HA   PRO  50           HA       PRO  50  17.869  -3.902   6.120
  364    HB2  PRO  50           HB2      PRO  50  18.318  -3.937   8.869
  365    HB3  PRO  50           HB1      PRO  50  19.014  -2.732   7.768
  366    HG2  PRO  50           HG2      PRO  50  16.635  -2.505   9.525
  367    HG3  PRO  50           HG1      PRO  50  17.874  -1.294   9.135
  368    HD2  PRO  50           HD2      PRO  50  15.462  -1.198   8.008
  369    HD3  PRO  50           HD1      PRO  50  16.922  -0.768   7.102
  Start of MODEL    4
    1    H1   ARG   1           HT1      ARG   1  15.600  -6.345   3.118
    2    H2   ARG   1           HT2      ARG   1  16.093  -6.342   4.790
    3    H3   ARG   1           HT3      ARG   1  15.380  -5.042   4.151
    4    HA   ARG   1           HA       ARG   1  13.894  -7.565   4.372
    5    HB2  ARG   1           HB2      ARG   1  14.734  -6.437   6.530
    6    HB3  ARG   1           HB1      ARG   1  13.702  -5.097   6.064
    7    HG2  ARG   1           HG2      ARG   1  11.751  -6.603   6.182
    8    HG3  ARG   1           HG1      ARG   1  12.820  -7.895   6.743
    9    HD2  ARG   1           HD2      ARG   1  12.186  -5.285   8.116
   10    HD3  ARG   1           HD1      ARG   1  11.862  -6.921   8.699
   11    HE   ARG   1           HE       ARG   1  14.653  -6.026   8.306
   12   HH11  ARG   1          HH11      ARG   1  12.180  -7.106  10.598
   13   HH12  ARG   1          HH12      ARG   1  13.295  -7.250  11.880
   14   HH21  ARG   1          HH21      ARG   1  16.033  -6.173   9.863
   15   HH22  ARG   1          HH22      ARG   1  15.677  -6.696  11.462
   16    H    MET   2           HN       MET   2  11.684  -7.254   3.942
   17    HA   MET   2           HA       MET   2  11.044  -4.825   2.416
   18    HB2  MET   2           HB2      MET   2   9.890  -7.616   2.323
   19    HB3  MET   2           HB1      MET   2   9.137  -6.230   1.549
   20    HG2  MET   2           HG2      MET   2  11.085  -5.919   0.153
   21    HG3  MET   2           HG1      MET   2  11.897  -7.249   0.971
   22    HE1  MET   2           HE1      MET   2  12.403  -8.344  -1.434
   23    HE2  MET   2           HE2      MET   2  11.571  -7.001  -2.217
   24    HE3  MET   2           HE3      MET   2  11.152  -8.661  -2.638
   25    H    CYS   3           HN       CYS   3  10.080  -3.458   3.494
   26    HA   CYS   3           HA       CYS   3   8.473  -4.212   5.789
   27    HB2  CYS   3           HB2      CYS   3   9.748  -1.751   4.797
   28    HB3  CYS   3           HB1      CYS   3   8.341  -1.545   5.854
   29    H    LYS   4           HN       LYS   4   6.400  -4.441   5.625
   30    HA   LYS   4           HA       LYS   4   4.995  -3.340   3.315
   31    HB2  LYS   4           HB2      LYS   4   4.948  -5.822   3.879
   32    HB3  LYS   4           HB1      LYS   4   4.103  -5.401   5.355
   33    HG2  LYS   4           HG2      LYS   4   2.189  -4.640   4.103
   34    HG3  LYS   4           HG1      LYS   4   3.088  -4.781   2.602
   35    HD2  LYS   4           HD2      LYS   4   1.638  -6.664   2.747
   36    HD3  LYS   4           HD1      LYS   4   3.288  -7.203   2.955
   37    HE2  LYS   4           HE2      LYS   4   2.044  -8.411   4.564
   38    HE3  LYS   4           HE1      LYS   4   2.868  -7.149   5.470
   39    HZ1  LYS   4           HZ1      LYS   4   0.727  -5.855   5.340
   40    HZ2  LYS   4           HZ2      LYS   4   0.592  -7.329   6.180
   41    HZ3  LYS   4           HZ3      LYS   4   0.028  -7.226   4.633
   42    H    THR   5           HN       THR   5   4.185  -1.402   3.749
   43    HA   THR   5           HA       THR   5   3.300  -0.679   6.459
   44    HB   THR   5           HB       THR   5   4.538   0.841   4.195
   45    HG1  THR   5           HG1      THR   5   5.453  -0.443   6.311
   46   HG21  THR   5          HG21      THR   5   2.941   2.299   5.229
   47   HG22  THR   5          HG22      THR   5   4.569   2.812   5.652
   48   HG23  THR   5          HG23      THR   5   3.573   1.949   6.851
   49    HA   PRO   6           HA       PRO   6  -0.755  -0.286   4.414
   50    HB2  PRO   6           HB2      PRO   6  -2.043   0.992   6.444
   51    HB3  PRO   6           HB1      PRO   6  -1.737  -0.759   6.410
   52    HG2  PRO   6           HG2      PRO   6  -0.314   1.354   7.930
   53    HG3  PRO   6           HG1      PRO   6  -0.693  -0.313   8.399
   54    HD2  PRO   6           HD2      PRO   6   1.782   0.488   7.533
   55    HD3  PRO   6           HD1      PRO   6   1.165  -1.168   7.373
   56    H    SER   7           HN       SER   7  -1.201   1.111   2.927
   57    HA   SER   7           HA       SER   7  -0.185   3.735   2.788
   58    HB2  SER   7           HB2      SER   7  -2.509   2.714   1.225
   59    HB3  SER   7           HB1      SER   7  -1.146   3.707   0.682
   60    HG   SER   7           HG       SER   7   0.053   1.950   0.448
   61    H    GLY   8           HN       GLY   8  -1.245   5.753   3.073
   62    HA2  GLY   8           HA2      GLY   8  -3.465   5.659   4.895
   63    HA3  GLY   8           HA1      GLY   8  -2.475   7.048   4.471
   64    H    LYS   9           HN       LYS   9  -2.789   6.857   1.577
   65    HA   LYS   9           HA       LYS   9  -5.399   8.015   1.700
   66    HB2  LYS   9           HB2      LYS   9  -5.006   9.003  -0.495
   67    HB3  LYS   9           HB1      LYS   9  -3.909   9.456   0.805
   68    HG2  LYS   9           HG2      LYS   9  -2.770   7.312  -0.463
   69    HG3  LYS   9           HG1      LYS   9  -3.272   8.382  -1.758
   70    HD2  LYS   9           HD2      LYS   9  -2.386  10.199  -0.069
   71    HD3  LYS   9           HD1      LYS   9  -1.537   8.743   0.514
   72    HE2  LYS   9           HE2      LYS   9  -0.789   8.280  -1.605
   73    HE3  LYS   9           HE1      LYS   9  -1.539   9.753  -2.227
   74    HZ1  LYS   9           HZ1      LYS   9  -0.153  11.141  -0.747
   75    HZ2  LYS   9           HZ2      LYS   9   0.972  10.151  -1.547
   76    HZ3  LYS   9           HZ3      LYS   9   0.428   9.773  -0.001
   77    H    PHE  10           HN       PHE  10  -4.393   5.194   1.156
   78    HA   PHE  10           HA       PHE  10  -5.874   4.564  -1.227
   79    HB2  PHE  10           HB2      PHE  10  -3.742   3.383  -0.383
   80    HB3  PHE  10           HB1      PHE  10  -4.911   2.514   0.633
   81    HD1  PHE  10           HD1      PHE  10  -6.527   0.983  -0.308
   82    HD2  PHE  10           HD2      PHE  10  -3.854   3.239  -2.606
   83    HE1  PHE  10           HE1      PHE  10  -7.102  -0.427  -2.240
   84    HE2  PHE  10           HE2      PHE  10  -4.381   1.817  -4.638
   85    HZ   PHE  10           HZ       PHE  10  -6.023  -0.011  -4.417
   86    H    LYS  11           HN       LYS  11  -7.840   4.305  -1.218
   87    HA   LYS  11           HA       LYS  11  -9.222   2.820   0.897
   88    HB2  LYS  11           HB2      LYS  11 -10.372   5.163  -0.645
   89    HB3  LYS  11           HB1      LYS  11 -11.250   4.152   0.473
   90    HG2  LYS  11           HG2      LYS  11 -10.840   6.049   1.669
   91    HG3  LYS  11           HG1      LYS  11  -9.565   4.937   2.218
   92    HD2  LYS  11           HD2      LYS  11  -8.653   7.158   1.926
   93    HD3  LYS  11           HD1      LYS  11  -8.013   6.096   0.675
   94    HE2  LYS  11           HE2      LYS  11  -9.659   7.002  -0.922
   95    HE3  LYS  11           HE1      LYS  11 -10.283   8.064   0.342
   96    HZ1  LYS  11           HZ1      LYS  11  -7.524   8.049  -0.698
   97    HZ2  LYS  11           HZ2      LYS  11  -8.133   9.132   0.452
   98    HZ3  LYS  11           HZ3      LYS  11  -8.708   9.175  -1.150
   99    H    GLY  12           HN       GLY  12 -11.145   1.697   0.014
  100    HA2  GLY  12           HA2      GLY  12 -12.478   1.082  -1.837
  101    HA3  GLY  12           HA1      GLY  12 -11.149   1.522  -2.898
  102    H    TYR  13           HN       TYR  13 -10.738  -0.302  -3.937
  103    HA   TYR  13           HA       TYR  13 -10.186  -2.649  -2.317
  104    HB2  TYR  13           HB2      TYR  13 -11.838  -2.346  -4.732
  105    HB3  TYR  13           HB1      TYR  13 -10.836  -3.788  -4.617
  106    HD1  TYR  13           HD1      TYR  13 -13.724  -2.014  -3.259
  107    HD2  TYR  13           HD2      TYR  13 -11.160  -5.364  -2.853
  108    HE1  TYR  13           HE1      TYR  13 -15.343  -3.055  -1.738
  109    HE2  TYR  13           HE2      TYR  13 -12.708  -6.427  -1.359
  110    HH   TYR  13           HH       TYR  13 -15.931  -5.339  -0.937
  111    H    CYS  14           HN       CYS  14  -8.127  -3.008  -2.303
  112    HA   CYS  14           HA       CYS  14  -6.517  -2.407  -4.608
  113    HB2  CYS  14           HB2      CYS  14  -5.801  -2.200  -2.111
  114    HB3  CYS  14           HB1      CYS  14  -5.580  -3.941  -2.189
  115    H    VAL  15           HN       VAL  15  -8.112  -3.897  -5.662
  116    HA   VAL  15           HA       VAL  15  -7.556  -6.669  -5.620
  117    HB   VAL  15           HB       VAL  15  -8.721  -6.773  -7.862
  118   HG11  VAL  15          HG11      VAL  15 -10.939  -6.114  -6.999
  119   HG12  VAL  15          HG12      VAL  15 -10.139  -5.310  -5.643
  120   HG13  VAL  15          HG13      VAL  15 -10.000  -7.053  -5.842
  121   HG21  VAL  15          HG21      VAL  15  -9.060  -3.796  -7.443
  122   HG22  VAL  15          HG22      VAL  15  -9.862  -4.754  -8.688
  123   HG23  VAL  15          HG23      VAL  15  -8.108  -4.558  -8.716
  124    H    ASN  16           HN       ASN  16  -6.165  -3.974  -7.264
  125    HA   ASN  16           HA       ASN  16  -4.263  -5.743  -8.634
  126    HB2  ASN  16           HB2      ASN  16  -5.640  -4.773 -10.343
  127    HB3  ASN  16           HB1      ASN  16  -5.558  -3.187  -9.602
  128   HD21  ASN  16          HD21      ASN  16  -4.928  -2.351 -11.608
  129   HD22  ASN  16          HD22      ASN  16  -3.338  -2.538 -12.237
  130    H    ASN  17           HN       ASN  17  -2.356  -5.595  -8.012
  131    HA   ASN  17           HA       ASN  17  -1.345  -3.996  -5.979
  132    HB2  ASN  17           HB2      ASN  17   0.113  -5.534  -8.128
  133    HB3  ASN  17           HB1      ASN  17   0.910  -4.787  -6.752
  134   HD21  ASN  17          HD21      ASN  17   0.640  -7.618  -7.611
  135   HD22  ASN  17          HD22      ASN  17  -0.037  -8.416  -6.237
  136    H    THR  18           HN       THR  18  -1.494  -3.398  -9.379
  137    HA   THR  18           HA       THR  18   0.525  -1.449  -9.482
  138    HB   THR  18           HB       THR  18  -1.856  -1.787 -11.318
  139    HG1  THR  18           HG1      THR  18  -0.830  -3.642 -11.598
  140   HG21  THR  18          HG21      THR  18   0.863  -0.524 -11.797
  141   HG22  THR  18          HG22      THR  18  -0.652   0.361 -11.632
  142   HG23  THR  18          HG23      THR  18  -0.408  -0.722 -13.003
  143    H    ASN  19           HN       ASN  19  -2.867  -1.235  -8.439
  144    HA   ASN  19           HA       ASN  19  -3.028   1.615  -8.718
  145    HB2  ASN  19           HB2      ASN  19  -5.047   0.025  -8.674
  146    HB3  ASN  19           HB1      ASN  19  -4.686  -0.201  -6.959
  147   HD21  ASN  19          HD21      ASN  19  -6.708   0.645  -6.351
  148   HD22  ASN  19          HD22      ASN  19  -6.996   2.345  -6.451
  149    H    CYS  20           HN       CYS  20  -2.409  -0.802  -6.290
  150    HA   CYS  20           HA       CYS  20  -2.092   0.718  -3.966
  151    HB2  CYS  20           HB2      CYS  20  -1.925  -1.875  -4.349
  152    HB3  CYS  20           HB1      CYS  20  -0.291  -1.517  -4.740
  153    H    LYS  21           HN       LYS  21   0.113  -0.396  -6.429
  154    HA   LYS  21           HA       LYS  21   2.338   0.410  -5.418
  155    HB2  LYS  21           HB2      LYS  21   1.664  -0.867  -7.672
  156    HB3  LYS  21           HB1      LYS  21   2.080   0.716  -8.335
  157    HG2  LYS  21           HG2      LYS  21   4.304   0.563  -7.643
  158    HG3  LYS  21           HG1      LYS  21   3.923  -0.826  -6.615
  159    HD2  LYS  21           HD2      LYS  21   5.068  -1.503  -8.703
  160    HD3  LYS  21           HD1      LYS  21   3.459  -2.203  -8.545
  161    HE2  LYS  21           HE2      LYS  21   2.594  -0.404 -10.031
  162    HE3  LYS  21           HE1      LYS  21   4.252   0.164 -10.240
  163    HZ1  LYS  21           HZ1      LYS  21   3.221  -2.521 -10.984
  164    HZ2  LYS  21           HZ2      LYS  21   4.811  -1.995 -11.206
  165    HZ3  LYS  21           HZ3      LYS  21   3.548  -1.270 -12.067
  166    H    ASN  22           HN       ASN  22   0.183   2.079  -7.713
  167    HA   ASN  22           HA       ASN  22   1.660   4.428  -8.086
  168    HB2  ASN  22           HB2      ASN  22  -1.323   4.002  -8.321
  169    HB3  ASN  22           HB1      ASN  22  -0.494   5.463  -8.828
  170   HD21  ASN  22          HD21      ASN  22  -2.039   3.672 -10.431
  171   HD22  ASN  22          HD22      ASN  22  -0.996   3.079 -11.674
  172    H    VAL  23           HN       VAL  23  -1.012   3.730  -5.850
  173    HA   VAL  23           HA       VAL  23  -1.070   6.269  -4.699
  174    HB   VAL  23           HB       VAL  23  -1.886   3.617  -3.468
  175   HG11  VAL  23          HG11      VAL  23  -3.249   4.985  -1.900
  176   HG12  VAL  23          HG12      VAL  23  -2.512   6.429  -2.581
  177   HG13  VAL  23          HG13      VAL  23  -1.516   5.261  -1.720
  178   HG21  VAL  23          HG21      VAL  23  -3.440   5.723  -4.982
  179   HG22  VAL  23          HG22      VAL  23  -4.208   4.496  -4.011
  180   HG23  VAL  23          HG23      VAL  23  -3.227   4.011  -5.410
  181    H    CYS  24           HN       CYS  24   0.745   3.385  -3.758
  182    HA   CYS  24           HA       CYS  24   2.004   4.502  -1.515
  183    HB2  CYS  24           HB2      CYS  24   2.715   2.214  -3.312
  184    HB3  CYS  24           HB1      CYS  24   3.711   2.609  -1.926
  185    H    ARG  25           HN       ARG  25   2.924   4.468  -4.891
  186    HA   ARG  25           HA       ARG  25   5.441   5.652  -4.449
  187    HB2  ARG  25           HB2      ARG  25   3.716   5.505  -6.920
  188    HB3  ARG  25           HB1      ARG  25   5.371   6.114  -6.920
  189    HG2  ARG  25           HG2      ARG  25   6.286   4.038  -6.451
  190    HG3  ARG  25           HG1      ARG  25   4.781   3.419  -5.774
  191    HD2  ARG  25           HD2      ARG  25   5.051   2.336  -7.836
  192    HD3  ARG  25           HD1      ARG  25   3.816   3.563  -8.054
  193    HE   ARG  25           HE       ARG  25   6.573   4.022  -8.809
  194   HH11  ARG  25          HH11      ARG  25   3.118   3.977  -9.729
  195   HH12  ARG  25          HH12      ARG  25   3.329   4.679 -11.234
  196   HH21  ARG  25          HH21      ARG  25   6.884   5.003 -10.978
  197   HH22  ARG  25          HH22      ARG  25   5.548   5.280 -11.992
  198    H    THR  26           HN       THR  26   2.227   6.854  -4.723
  199    HA   THR  26           HA       THR  26   2.991   9.623  -4.940
  200    HB   THR  26           HB       THR  26   0.280   8.462  -4.180
  201    HG1  THR  26           HG1      THR  26   1.080   7.696  -6.253
  202   HG21  THR  26          HG21      THR  26   0.509  10.878  -3.751
  203   HG22  THR  26          HG22      THR  26  -0.612  10.566  -5.077
  204   HG23  THR  26          HG23      THR  26   1.026  11.125  -5.421
  205    H    GLU  27           HN       GLU  27   2.185   7.349  -2.358
  206    HA   GLU  27           HA       GLU  27   2.175   9.184  -0.201
  207    HB2  GLU  27           HB2      GLU  27   2.757   6.225  -0.345
  208    HB3  GLU  27           HB1      GLU  27   2.790   7.109   1.179
  209    HG2  GLU  27           HG2      GLU  27   0.397   7.103  -0.611
  210    HG3  GLU  27           HG1      GLU  27   0.569   5.843   0.562
  211    H    GLY  28           HN       GLY  28   4.731   7.335  -1.710
  212    HA2  GLY  28           HA2      GLY  28   6.876   8.693  -1.864
  213    HA3  GLY  28           HA1      GLY  28   6.710   8.845  -0.116
  214    H    PHE  29           HN       PHE  29   5.974   6.011  -2.020
  215    HA   PHE  29           HA       PHE  29   8.157   4.593  -0.679
  216    HB2  PHE  29           HB2      PHE  29   5.381   3.661  -1.370
  217    HB3  PHE  29           HB1      PHE  29   6.645   2.575  -0.832
  218    HD1  PHE  29           HD1      PHE  29   7.220   2.441   1.478
  219    HD2  PHE  29           HD2      PHE  29   4.417   5.294   0.105
  220    HE1  PHE  29           HE1      PHE  29   6.505   2.825   3.792
  221    HE2  PHE  29           HE2      PHE  29   3.668   5.710   2.391
  222    HZ   PHE  29           HZ       PHE  29   4.716   4.470   4.266
  223    HA   PRO  30           HA       PRO  30   9.579   3.480  -4.717
  224    HB2  PRO  30           HB2      PRO  30  10.260   0.822  -4.157
  225    HB3  PRO  30           HB1      PRO  30  11.336   2.208  -3.948
  226    HG2  PRO  30           HG2      PRO  30   9.800   0.717  -1.925
  227    HG3  PRO  30           HG1      PRO  30  11.319   1.615  -1.762
  228    HD2  PRO  30           HD2      PRO  30   8.954   2.510  -0.823
  229    HD3  PRO  30           HD1      PRO  30  10.257   3.590  -1.339
  230    H    THR  31           HN       THR  31   7.455   1.126  -3.043
  231    HA   THR  31           HA       THR  31   5.981   0.771  -5.457
  232    HB   THR  31           HB       THR  31   7.796  -0.784  -5.867
  233    HG1  THR  31           HG1      THR  31   6.417  -2.862  -5.519
  234   HG21  THR  31          HG21      THR  31   7.154  -1.915  -3.143
  235   HG22  THR  31          HG22      THR  31   8.644  -1.120  -3.637
  236   HG23  THR  31          HG23      THR  31   8.226  -2.701  -4.304
  237    H    GLY  32           HN       GLY  32   4.302  -1.073  -4.958
  238    HA2  GLY  32           HA2      GLY  32   3.452  -1.148  -2.231
  239    HA3  GLY  32           HA1      GLY  32   2.403  -0.222  -3.313
  240    H    SER  33           HN       SER  33   1.761  -2.596  -1.966
  241    HA   SER  33           HA       SER  33   0.868  -4.195  -4.158
  242    HB2  SER  33           HB2      SER  33   2.940  -5.021  -2.240
  243    HB3  SER  33           HB1      SER  33   1.907  -6.305  -2.901
  244    HG   SER  33           HG       SER  33   3.065  -4.399  -4.578
  245    H    CYS  34           HN       CYS  34  -0.759  -5.829  -3.406
  246    HA   CYS  34           HA       CYS  34  -2.352  -4.468  -1.435
  247    HB2  CYS  34           HB2      CYS  34  -3.115  -6.711  -3.290
  248    HB3  CYS  34           HB1      CYS  34  -4.187  -5.680  -2.341
  249    H    ASP  35           HN       ASP  35  -3.608  -5.629   0.085
  250    HA   ASP  35           HA       ASP  35  -2.537  -8.150   1.084
  251    HB2  ASP  35           HB2      ASP  35  -1.191  -6.378   1.957
  252    HB3  ASP  35           HB1      ASP  35  -2.619  -5.490   2.433
  253    H    PHE  36           HN       PHE  36  -3.996  -8.989   2.764
  254    HA   PHE  36           HA       PHE  36  -6.682  -7.881   2.632
  255    HB2  PHE  36           HB2      PHE  36  -6.407  -9.996   1.256
  256    HB3  PHE  36           HB1      PHE  36  -5.926 -10.827   2.721
  257    HD1  PHE  36           HD1      PHE  36  -8.294 -11.218   0.663
  258    HD2  PHE  36           HD2      PHE  36  -8.046  -9.606   4.585
  259    HE1  PHE  36           HE1      PHE  36 -10.658 -11.816   1.059
  260    HE2  PHE  36           HE2      PHE  36 -10.384 -10.180   5.000
  261    HZ   PHE  36           HZ       PHE  36 -11.708 -11.309   3.229
  262    H    HIS  37           HN       HIS  37  -6.840  -7.057   4.571
  263    HA   HIS  37           HA       HIS  37  -6.365  -8.826   6.866
  264    HB2  HIS  37           HB2      HIS  37  -4.965  -7.294   8.049
  265    HB3  HIS  37           HB1      HIS  37  -4.479  -7.094   6.360
  266    HD1  HIS  37           HD1      HIS  37  -5.981  -5.269   9.167
  267    HD2  HIS  37           HD2      HIS  37  -5.204  -4.668   5.143
  268    HE1  HIS  37           HE1      HIS  37  -6.190  -2.789   8.792
  269    HE2  HIS  37           HE2      HIS  37  -5.136  -2.550   6.550
  270    H    VAL  38           HN       VAL  38  -8.506  -7.367   5.153
  271    HA   VAL  38           HA       VAL  38 -10.325  -6.706   7.232
  272    HB   VAL  38           HB       VAL  38 -10.958  -4.514   5.977
  273   HG11  VAL  38          HG11      VAL  38  -9.956  -4.378   8.172
  274   HG12  VAL  38          HG12      VAL  38  -9.276  -3.111   7.123
  275   HG13  VAL  38          HG13      VAL  38  -8.347  -4.561   7.469
  276   HG21  VAL  38          HG21      VAL  38  -9.634  -4.805   3.943
  277   HG22  VAL  38          HG22      VAL  38  -8.167  -4.881   4.914
  278   HG23  VAL  38          HG23      VAL  38  -9.053  -3.369   4.811
  279    H    ALA  39           HN       ALA  39 -12.491  -6.349   6.163
  280    HA   ALA  39           HA       ALA  39 -13.025  -8.408   4.399
  281    HB1  ALA  39           HB1      ALA  39 -14.730  -7.390   5.835
  282    HB2  ALA  39           HB2      ALA  39 -15.264  -7.439   4.154
  283    HB3  ALA  39           HB3      ALA  39 -14.685  -5.925   4.851
  284    H    GLY  40           HN       GLY  40 -12.145  -5.131   3.792
  285    HA2  GLY  40           HA2      GLY  40 -12.592  -5.374   0.931
  286    HA3  GLY  40           HA1      GLY  40 -12.033  -3.934   1.779
  287    H    ARG  41           HN       ARG  41 -10.484  -4.004  -0.040
  288    HA   ARG  41           HA       ARG  41  -8.281  -5.820   0.586
  289    HB2  ARG  41           HB2      ARG  41  -9.194  -4.811  -2.099
  290    HB3  ARG  41           HB1      ARG  41  -7.575  -5.499  -1.812
  291    HG2  ARG  41           HG2      ARG  41  -8.404  -7.469  -1.232
  292    HG3  ARG  41           HG1      ARG  41 -10.129  -6.997  -1.156
  293    HD2  ARG  41           HD2      ARG  41  -9.806  -8.303  -3.110
  294    HD3  ARG  41           HD1      ARG  41  -9.745  -6.644  -3.698
  295    HE   ARG  41           HE       ARG  41  -7.264  -6.876  -3.536
  296   HH11  ARG  41          HH11      ARG  41  -9.265  -9.763  -4.051
  297   HH12  ARG  41          HH12      ARG  41  -8.092 -10.593  -4.956
  298   HH21  ARG  41          HH21      ARG  41  -5.659  -8.002  -4.786
  299   HH22  ARG  41          HH22      ARG  41  -5.956  -9.549  -5.402
  300    H    LYS  42           HN       LYS  42  -6.508  -4.913   1.299
  301    HA   LYS  42           HA       LYS  42  -6.515  -2.010   1.233
  302    HB2  LYS  42           HB2      LYS  42  -6.768  -3.115   3.444
  303    HB3  LYS  42           HB1      LYS  42  -5.240  -3.914   3.226
  304    HG2  LYS  42           HG2      LYS  42  -5.090  -1.982   4.729
  305    HG3  LYS  42           HG1      LYS  42  -4.070  -1.788   3.308
  306    HD2  LYS  42           HD2      LYS  42  -5.547  -0.221   2.343
  307    HD3  LYS  42           HD1      LYS  42  -6.835  -0.572   3.515
  308    HE2  LYS  42           HE2      LYS  42  -5.547   0.324   5.249
  309    HE3  LYS  42           HE1      LYS  42  -4.135   0.576   4.216
  310    HZ1  LYS  42           HZ1      LYS  42  -5.168   2.696   4.406
  311    HZ2  LYS  42           HZ2      LYS  42  -6.727   2.102   4.205
  312    HZ3  LYS  42           HZ3      LYS  42  -5.685   2.183   2.897
  313    H    CYS  43           HN       CYS  43  -4.619  -0.952   0.877
  314    HA   CYS  43           HA       CYS  43  -2.648  -2.329  -0.743
  315    HB2  CYS  43           HB2      CYS  43  -3.712  -0.437  -1.734
  316    HB3  CYS  43           HB1      CYS  43  -3.443   0.531  -0.302
  317    H    TYR  44           HN       TYR  44  -0.557  -2.421  -0.125
  318    HA   TYR  44           HA       TYR  44   0.264  -0.959   2.227
  319    HB2  TYR  44           HB2      TYR  44   0.589  -3.885   1.697
  320    HB3  TYR  44           HB1      TYR  44   1.732  -2.999   2.692
  321    HD1  TYR  44           HD1      TYR  44  -1.930  -3.533   2.387
  322    HD2  TYR  44           HD2      TYR  44   1.380  -2.970   4.958
  323    HE1  TYR  44           HE1      TYR  44  -3.370  -3.957   4.289
  324    HE2  TYR  44           HE2      TYR  44  -0.044  -3.385   6.902
  325    HH   TYR  44           HH       TYR  44  -2.868  -4.863   6.653
  326    H    CYS  45           HN       CYS  45   2.123  -0.165   2.077
  327    HA   CYS  45           HA       CYS  45   3.375  -0.145  -0.498
  328    HB2  CYS  45           HB2      CYS  45   3.871   1.484   1.990
  329    HB3  CYS  45           HB1      CYS  45   4.496   1.843   0.423
  330    H    TYR  46           HN       TYR  46   5.449  -0.732  -0.850
  331    HA   TYR  46           HA       TYR  46   6.719  -2.178   1.333
  332    HB2  TYR  46           HB2      TYR  46   6.639  -2.751  -1.581
  333    HB3  TYR  46           HB1      TYR  46   7.930  -3.398  -0.574
  334    HD1  TYR  46           HD1      TYR  46   7.623  -5.436   0.409
  335    HD2  TYR  46           HD2      TYR  46   4.154  -3.253  -0.768
  336    HE1  TYR  46           HE1      TYR  46   6.231  -7.336   0.987
  337    HE2  TYR  46           HE2      TYR  46   2.770  -5.067  -0.191
  338    HH   TYR  46           HH       TYR  46   3.026  -7.606  -0.020
  339    H    LYS  47           HN       LYS  47   8.659  -1.781   1.859
  340    HA   LYS  47           HA       LYS  47  10.327  -0.121   0.190
  341    HB2  LYS  47           HB2      LYS  47  10.807   1.504   2.008
  342    HB3  LYS  47           HB1      LYS  47   9.156   1.588   1.421
  343    HG2  LYS  47           HG2      LYS  47   8.394   0.351   3.396
  344    HG3  LYS  47           HG1      LYS  47  10.055   0.224   3.967
  345    HD2  LYS  47           HD2      LYS  47  10.200   2.652   4.120
  346    HD3  LYS  47           HD1      LYS  47   8.541   2.800   3.542
  347    HE2  LYS  47           HE2      LYS  47   8.542   3.009   5.944
  348    HE3  LYS  47           HE1      LYS  47   7.804   1.468   5.512
  349    HZ1  LYS  47           HZ1      LYS  47   9.923   0.364   6.035
  350    HZ2  LYS  47           HZ2      LYS  47   9.338   1.216   7.364
  351    HZ3  LYS  47           HZ3      LYS  47  10.602   1.851   6.445
  352    HA   PRO  48           HA       PRO  48  13.353  -2.767   2.011
  353    HB2  PRO  48           HB2      PRO  48  15.601  -1.405   1.384
  354    HB3  PRO  48           HB1      PRO  48  14.649  -2.252   0.147
  355    HG2  PRO  48           HG2      PRO  48  14.738   0.643   0.774
  356    HG3  PRO  48           HG1      PRO  48  14.618  -0.172  -0.798
  357    HD2  PRO  48           HD2      PRO  48  12.474   0.933   0.487
  358    HD3  PRO  48           HD1      PRO  48  12.366  -0.417  -0.659
  359    H    CYS  49           HN       CYS  49  13.405  -2.887   4.033
  360    HA   CYS  49           HA       CYS  49  14.684  -0.796   5.669
  361    HB2  CYS  49           HB2      CYS  49  12.848  -3.117   6.343
  362    HB3  CYS  49           HB1      CYS  49  13.588  -2.091   7.587
  363    HA   PRO  50           HA       PRO  50  18.153  -3.673   6.216
  364    HB2  PRO  50           HB2      PRO  50  18.244  -4.089   8.975
  365    HB3  PRO  50           HB1      PRO  50  18.998  -2.712   8.144
  366    HG2  PRO  50           HG2      PRO  50  16.401  -2.837   9.573
  367    HG3  PRO  50           HG1      PRO  50  17.604  -1.532   9.522
  368    HD2  PRO  50           HD2      PRO  50  15.373  -1.352   8.100
  369    HD3  PRO  50           HD1      PRO  50  16.919  -0.787   7.446
  Start of MODEL    5
    1    H1   ARG   1           HT1      ARG   1  15.055  -5.417   4.300
    2    H2   ARG   1           HT2      ARG   1  15.215  -6.826   3.398
    3    H3   ARG   1           HT3      ARG   1  15.570  -6.757   5.073
    4    HA   ARG   1           HA       ARG   1  13.270  -7.698   4.513
    5    HB2  ARG   1           HB2      ARG   1  13.724  -5.373   6.364
    6    HB3  ARG   1           HB1      ARG   1  12.189  -6.216   6.291
    7    HG2  ARG   1           HG2      ARG   1  13.185  -8.232   7.085
    8    HG3  ARG   1           HG1      ARG   1  14.807  -7.546   6.935
    9    HD2  ARG   1           HD2      ARG   1  14.362  -5.940   8.637
   10    HD3  ARG   1           HD1      ARG   1  12.669  -6.385   8.705
   11    HE   ARG   1           HE       ARG   1  13.248  -8.461   9.690
   12   HH11  ARG   1          HH11      ARG   1  16.048  -6.297   9.426
   13   HH12  ARG   1          HH12      ARG   1  16.888  -6.924  10.737
   14   HH21  ARG   1          HH21      ARG   1  14.420  -9.395  11.551
   15   HH22  ARG   1          HH22      ARG   1  15.937  -8.751  11.985
   16    H    MET   2           HN       MET   2  11.114  -7.187   4.134
   17    HA   MET   2           HA       MET   2  10.662  -4.790   2.495
   18    HB2  MET   2           HB2      MET   2   9.407  -7.539   2.440
   19    HB3  MET   2           HB1      MET   2   8.721  -6.144   1.624
   20    HG2  MET   2           HG2      MET   2  10.645  -5.944   0.233
   21    HG3  MET   2           HG1      MET   2  11.463  -7.236   1.111
   22    HE1  MET   2           HE1      MET   2  11.167  -7.157  -2.085
   23    HE2  MET   2           HE2      MET   2  10.737  -8.834  -2.419
   24    HE3  MET   2           HE3      MET   2  11.974  -8.464  -1.218
   25    H    CYS   3           HN       CYS   3  10.046  -3.414   3.830
   26    HA   CYS   3           HA       CYS   3   8.367  -4.043   6.057
   27    HB2  CYS   3           HB2      CYS   3   9.684  -1.622   4.976
   28    HB3  CYS   3           HB1      CYS   3   8.398  -1.408   6.139
   29    H    LYS   4           HN       LYS   4   6.311  -4.348   5.827
   30    HA   LYS   4           HA       LYS   4   4.874  -3.145   3.615
   31    HB2  LYS   4           HB2      LYS   4   4.681  -5.605   4.200
   32    HB3  LYS   4           HB1      LYS   4   3.889  -5.120   5.691
   33    HG2  LYS   4           HG2      LYS   4   2.071  -4.092   4.391
   34    HG3  LYS   4           HG1      LYS   4   2.929  -4.507   2.923
   35    HD2  LYS   4           HD2      LYS   4   1.164  -6.077   3.262
   36    HD3  LYS   4           HD1      LYS   4   2.722  -6.856   3.425
   37    HE2  LYS   4           HE2      LYS   4   2.552  -6.893   5.843
   38    HE3  LYS   4           HE1      LYS   4   1.068  -5.941   5.790
   39    HZ1  LYS   4           HZ1      LYS   4   0.739  -8.428   6.120
   40    HZ2  LYS   4           HZ2      LYS   4   1.177  -8.620   4.475
   41    HZ3  LYS   4           HZ3      LYS   4  -0.119  -7.718   4.891
   42    H    THR   5           HN       THR   5   4.092  -1.219   3.970
   43    HA   THR   5           HA       THR   5   3.302  -0.357   6.658
   44    HB   THR   5           HB       THR   5   4.344   1.074   4.236
   45    HG1  THR   5           HG1      THR   5   5.468  -0.229   6.111
   46   HG21  THR   5          HG21      THR   5   3.611   2.238   6.942
   47   HG22  THR   5          HG22      THR   5   2.818   2.541   5.377
   48   HG23  THR   5          HG23      THR   5   4.466   3.086   5.639
   49    HA   PRO   6           HA       PRO   6  -0.826  -0.091   4.682
   50    HB2  PRO   6           HB2      PRO   6  -1.846   1.406   6.889
   51    HB3  PRO   6           HB1      PRO   6  -2.042  -0.324   6.519
   52    HG2  PRO   6           HG2      PRO   6  -0.637   0.692   8.685
   53    HG3  PRO   6           HG1      PRO   6  -0.547  -0.958   8.052
   54    HD2  PRO   6           HD2      PRO   6   1.364   1.281   7.697
   55    HD3  PRO   6           HD1      PRO   6   1.634  -0.472   7.693
   56    H    SER   7           HN       SER   7  -0.909   1.230   3.018
   57    HA   SER   7           HA       SER   7  -0.132   3.832   2.730
   58    HB2  SER   7           HB2      SER   7  -2.558   2.780   1.376
   59    HB3  SER   7           HB1      SER   7  -1.144   3.597   0.689
   60    HG   SER   7           HG       SER   7  -0.145   1.802   0.533
   61    H    GLY   8           HN       GLY   8  -1.210   5.783   2.879
   62    HA2  GLY   8           HA2      GLY   8  -3.521   5.737   4.700
   63    HA3  GLY   8           HA1      GLY   8  -2.360   7.039   4.580
   64    H    LYS   9           HN       LYS   9  -2.762   6.756   1.376
   65    HA   LYS   9           HA       LYS   9  -5.155   8.416   1.642
   66    HB2  LYS   9           HB2      LYS   9  -4.256   9.560  -0.462
   67    HB3  LYS   9           HB1      LYS   9  -3.559  10.020   1.109
   68    HG2  LYS   9           HG2      LYS   9  -1.704   9.755  -0.186
   69    HG3  LYS   9           HG1      LYS   9  -1.893   8.145   0.431
   70    HD2  LYS   9           HD2      LYS   9  -1.873   7.469  -1.569
   71    HD3  LYS   9           HD1      LYS   9  -3.514   8.137  -1.723
   72    HE2  LYS   9           HE2      LYS   9  -2.124   8.872  -3.534
   73    HE3  LYS   9           HE1      LYS   9  -2.522  10.240  -2.467
   74    HZ1  LYS   9           HZ1      LYS   9   0.029   8.698  -2.453
   75    HZ2  LYS   9           HZ2      LYS   9  -0.329   9.946  -1.398
   76    HZ3  LYS   9           HZ3      LYS   9  -0.124  10.281  -3.032
   77    H    PHE  10           HN       PHE  10  -3.990   5.806   0.508
   78    HA   PHE  10           HA       PHE  10  -5.646   5.252  -1.763
   79    HB2  PHE  10           HB2      PHE  10  -3.704   3.800  -0.742
   80    HB3  PHE  10           HB1      PHE  10  -4.953   3.215   0.333
   81    HD1  PHE  10           HD1      PHE  10  -6.770   1.774  -0.499
   82    HD2  PHE  10           HD2      PHE  10  -3.729   3.302  -2.954
   83    HE1  PHE  10           HE1      PHE  10  -7.411   0.139  -2.229
   84    HE2  PHE  10           HE2      PHE  10  -4.327   1.665  -4.759
   85    HZ   PHE  10           HZ       PHE  10  -6.189   0.084  -4.370
   86    H    LYS  11           HN       LYS  11  -7.582   4.563  -2.021
   87    HA   LYS  11           HA       LYS  11  -9.156   3.715   0.160
   88    HB2  LYS  11           HB2      LYS  11 -10.898   5.436  -0.918
   89    HB3  LYS  11           HB1      LYS  11  -9.816   5.846   0.419
   90    HG2  LYS  11           HG2      LYS  11  -8.136   6.535  -1.339
   91    HG3  LYS  11           HG1      LYS  11  -9.459   6.451  -2.495
   92    HD2  LYS  11           HD2      LYS  11  -8.959   8.621  -1.640
   93    HD3  LYS  11           HD1      LYS  11 -10.619   7.983  -1.400
   94    HE2  LYS  11           HE2      LYS  11  -9.602   9.305   0.612
   95    HE3  LYS  11           HE1      LYS  11 -10.265   7.722   0.974
   96    HZ1  LYS  11           HZ1      LYS  11  -8.052   6.803   1.009
   97    HZ2  LYS  11           HZ2      LYS  11  -8.002   8.176   1.984
   98    HZ3  LYS  11           HZ3      LYS  11  -7.393   8.210   0.403
   99    H    GLY  12           HN       GLY  12 -10.500   2.075  -0.685
  100    HA2  GLY  12           HA2      GLY  12 -12.076   1.565  -2.518
  101    HA3  GLY  12           HA1      GLY  12 -10.757   1.975  -3.608
  102    H    TYR  13           HN       TYR  13 -11.352  -0.254  -4.328
  103    HA   TYR  13           HA       TYR  13 -10.397  -2.353  -2.607
  104    HB2  TYR  13           HB2      TYR  13 -12.165  -2.223  -4.906
  105    HB3  TYR  13           HB1      TYR  13 -11.038  -3.574  -4.977
  106    HD1  TYR  13           HD1      TYR  13 -13.966  -2.202  -3.299
  107    HD2  TYR  13           HD2      TYR  13 -10.974  -5.208  -3.193
  108    HE1  TYR  13           HE1      TYR  13 -15.312  -3.484  -1.677
  109    HE2  TYR  13           HE2      TYR  13 -12.264  -6.487  -1.601
  110    HH   TYR  13           HH       TYR  13 -15.541  -5.786  -0.873
  111    H    CYS  14           HN       CYS  14  -8.388  -2.818  -2.520
  112    HA   CYS  14           HA       CYS  14  -6.624  -2.271  -4.719
  113    HB2  CYS  14           HB2      CYS  14  -6.113  -2.103  -2.149
  114    HB3  CYS  14           HB1      CYS  14  -5.827  -3.833  -2.272
  115    H    VAL  15           HN       VAL  15  -8.018  -3.734  -6.021
  116    HA   VAL  15           HA       VAL  15  -7.336  -6.526  -5.787
  117    HB   VAL  15           HB       VAL  15  -8.629  -6.854  -7.905
  118   HG11  VAL  15          HG11      VAL  15 -10.041  -5.303  -5.741
  119   HG12  VAL  15          HG12      VAL  15  -9.751  -7.041  -5.765
  120   HG13  VAL  15          HG13      VAL  15 -10.833  -6.311  -6.951
  121   HG21  VAL  15          HG21      VAL  15  -9.158  -3.881  -7.688
  122   HG22  VAL  15          HG22      VAL  15  -9.953  -4.983  -8.811
  123   HG23  VAL  15          HG23      VAL  15  -8.223  -4.673  -8.955
  124    H    ASN  16           HN       ASN  16  -6.267  -3.778  -7.614
  125    HA   ASN  16           HA       ASN  16  -4.342  -5.505  -9.018
  126    HB2  ASN  16           HB2      ASN  16  -5.810  -4.000 -10.454
  127    HB3  ASN  16           HB1      ASN  16  -5.022  -2.622  -9.694
  128   HD21  ASN  16          HD21      ASN  16  -5.010  -3.206 -12.483
  129   HD22  ASN  16          HD22      ASN  16  -3.387  -3.517 -12.957
  130    H    ASN  17           HN       ASN  17  -2.410  -5.492  -8.223
  131    HA   ASN  17           HA       ASN  17  -1.589  -3.951  -6.025
  132    HB2  ASN  17           HB2      ASN  17   0.107  -5.547  -7.946
  133    HB3  ASN  17           HB1      ASN  17   0.688  -4.864  -6.436
  134   HD21  ASN  17          HD21      ASN  17  -1.048  -7.442  -7.932
  135   HD22  ASN  17          HD22      ASN  17  -1.355  -8.328  -6.487
  136    H    THR  18           HN       THR  18  -1.274  -3.411  -9.407
  137    HA   THR  18           HA       THR  18   0.787  -1.501  -9.460
  138    HB   THR  18           HB       THR  18  -1.624  -1.787 -11.269
  139    HG1  THR  18           HG1      THR  18  -0.775  -3.676 -11.580
  140   HG21  THR  18          HG21      THR  18  -0.150  -0.910 -13.002
  141   HG22  THR  18          HG22      THR  18   1.163  -0.729 -11.831
  142   HG23  THR  18          HG23      THR  18  -0.302   0.253 -11.686
  143    H    ASN  19           HN       ASN  19  -2.674  -1.248  -8.553
  144    HA   ASN  19           HA       ASN  19  -2.849   1.596  -8.895
  145    HB2  ASN  19           HB2      ASN  19  -4.876   0.079  -8.924
  146    HB3  ASN  19           HB1      ASN  19  -4.585  -0.237  -7.213
  147   HD21  ASN  19          HD21      ASN  19  -6.597   0.621  -6.599
  148   HD22  ASN  19          HD22      ASN  19  -6.879   2.326  -6.656
  149    H    CYS  20           HN       CYS  20  -2.487  -0.698  -6.276
  150    HA   CYS  20           HA       CYS  20  -2.220   0.939  -4.022
  151    HB2  CYS  20           HB2      CYS  20  -2.096  -1.695  -4.290
  152    HB3  CYS  20           HB1      CYS  20  -0.443  -1.366  -4.586
  153    H    LYS  21           HN       LYS  21  -0.018  -0.288  -6.374
  154    HA   LYS  21           HA       LYS  21   2.286   0.342  -5.355
  155    HB2  LYS  21           HB2      LYS  21   1.424  -0.768  -7.647
  156    HB3  LYS  21           HB1      LYS  21   2.037   0.781  -8.222
  157    HG2  LYS  21           HG2      LYS  21   4.207   0.308  -7.529
  158    HG3  LYS  21           HG1      LYS  21   3.670  -1.164  -6.694
  159    HD2  LYS  21           HD2      LYS  21   2.954  -2.157  -8.741
  160    HD3  LYS  21           HD1      LYS  21   3.270  -0.669  -9.631
  161    HE2  LYS  21           HE2      LYS  21   4.988  -2.234 -10.047
  162    HE3  LYS  21           HE1      LYS  21   5.569  -0.855  -9.086
  163    HZ1  LYS  21           HZ1      LYS  21   6.448  -3.029  -8.285
  164    HZ2  LYS  21           HZ2      LYS  21   4.872  -3.535  -7.964
  165    HZ3  LYS  21           HZ3      LYS  21   5.540  -2.254  -7.094
  166    H    ASN  22           HN       ASN  22   0.316   2.109  -7.740
  167    HA   ASN  22           HA       ASN  22   1.976   4.362  -8.076
  168    HB2  ASN  22           HB2      ASN  22  -0.981   4.041  -8.611
  169    HB3  ASN  22           HB1      ASN  22  -0.042   5.452  -9.082
  170   HD21  ASN  22          HD21      ASN  22  -1.482   3.601 -10.753
  171   HD22  ASN  22          HD22      ASN  22  -0.330   2.912 -11.840
  172    H    VAL  23           HN       VAL  23  -0.812   3.779  -6.043
  173    HA   VAL  23           HA       VAL  23  -1.006   6.350  -4.988
  174    HB   VAL  23           HB       VAL  23  -1.802   3.682  -3.798
  175   HG11  VAL  23          HG11      VAL  23  -3.212   4.992  -2.239
  176   HG12  VAL  23          HG12      VAL  23  -2.632   6.453  -2.968
  177   HG13  VAL  23          HG13      VAL  23  -1.514   5.440  -2.059
  178   HG21  VAL  23          HG21      VAL  23  -2.980   4.160  -5.823
  179   HG22  VAL  23          HG22      VAL  23  -3.285   5.823  -5.271
  180   HG23  VAL  23          HG23      VAL  23  -4.063   4.478  -4.452
  181    H    CYS  24           HN       CYS  24   0.689   3.504  -3.736
  182    HA   CYS  24           HA       CYS  24   1.883   4.720  -1.525
  183    HB2  CYS  24           HB2      CYS  24   2.583   2.299  -3.157
  184    HB3  CYS  24           HB1      CYS  24   3.525   2.725  -1.744
  185    H    ARG  25           HN       ARG  25   2.983   4.391  -4.845
  186    HA   ARG  25           HA       ARG  25   5.529   5.473  -4.431
  187    HB2  ARG  25           HB2      ARG  25   3.817   5.392  -6.918
  188    HB3  ARG  25           HB1      ARG  25   5.509   5.892  -6.916
  189    HG2  ARG  25           HG2      ARG  25   6.272   3.757  -6.314
  190    HG3  ARG  25           HG1      ARG  25   4.675   3.250  -5.771
  191    HD2  ARG  25           HD2      ARG  25   5.035   2.141  -7.808
  192    HD3  ARG  25           HD1      ARG  25   3.938   3.488  -8.143
  193    HE   ARG  25           HE       ARG  25   6.754   3.829  -8.527
  194   HH11  ARG  25          HH11      ARG  25   3.537   3.484 -10.084
  195   HH12  ARG  25          HH12      ARG  25   4.058   3.907 -11.615
  196   HH21  ARG  25          HH21      ARG  25   7.480   4.422 -10.731
  197   HH22  ARG  25          HH22      ARG  25   6.370   4.451 -12.019
  198    H    THR  26           HN       THR  26   2.412   6.902  -4.917
  199    HA   THR  26           HA       THR  26   3.429   9.602  -5.079
  200    HB   THR  26           HB       THR  26   0.544   8.731  -4.679
  201    HG1  THR  26           HG1      THR  26   1.505   7.734  -6.581
  202   HG21  THR  26          HG21      THR  26   0.014  10.836  -5.834
  203   HG22  THR  26          HG22      THR  26   1.734  11.195  -5.982
  204   HG23  THR  26          HG23      THR  26   0.979  11.146  -4.390
  205    H    GLU  27           HN       GLU  27   2.687   7.391  -2.509
  206    HA   GLU  27           HA       GLU  27   2.345   9.502  -0.558
  207    HB2  GLU  27           HB2      GLU  27   2.524   6.484  -0.202
  208    HB3  GLU  27           HB1      GLU  27   2.358   7.607   1.144
  209    HG2  GLU  27           HG2      GLU  27   0.271   8.423   0.113
  210    HG3  GLU  27           HG1      GLU  27   0.442   7.162  -1.105
  211    H    GLY  28           HN       GLY  28   4.842   7.551  -1.846
  212    HA2  GLY  28           HA2      GLY  28   7.067   8.717  -1.694
  213    HA3  GLY  28           HA1      GLY  28   6.754   8.801   0.035
  214    H    PHE  29           HN       PHE  29   6.004   6.066  -2.019
  215    HA   PHE  29           HA       PHE  29   8.055   4.516  -0.613
  216    HB2  PHE  29           HB2      PHE  29   5.270   3.698  -1.409
  217    HB3  PHE  29           HB1      PHE  29   6.477   2.600  -0.756
  218    HD1  PHE  29           HD1      PHE  29   4.232   5.378  -0.045
  219    HD2  PHE  29           HD2      PHE  29   6.985   2.591   1.566
  220    HE1  PHE  29           HE1      PHE  29   3.414   5.924   2.183
  221    HE2  PHE  29           HE2      PHE  29   6.212   3.097   3.818
  222    HZ   PHE  29           HZ       PHE  29   4.408   4.783   4.164
  223    HA   PRO  30           HA       PRO  30   9.446   3.347  -4.653
  224    HB2  PRO  30           HB2      PRO  30  10.183   0.733  -4.079
  225    HB3  PRO  30           HB1      PRO  30  11.217   2.139  -3.800
  226    HG2  PRO  30           HG2      PRO  30   9.601   0.596  -1.873
  227    HG3  PRO  30           HG1      PRO  30  11.136   1.450  -1.640
  228    HD2  PRO  30           HD2      PRO  30   8.780   2.405  -0.742
  229    HD3  PRO  30           HD1      PRO  30  10.120   3.453  -1.234
  230    H    THR  31           HN       THR  31   7.243   1.142  -2.890
  231    HA   THR  31           HA       THR  31   5.816   0.683  -5.301
  232    HB   THR  31           HB       THR  31   7.573  -0.929  -5.645
  233    HG1  THR  31           HG1      THR  31   5.742  -2.732  -4.680
  234   HG21  THR  31          HG21      THR  31   8.479  -1.148  -3.442
  235   HG22  THR  31          HG22      THR  31   8.005  -2.772  -3.965
  236   HG23  THR  31          HG23      THR  31   6.996  -1.861  -2.836
  237    H    GLY  32           HN       GLY  32   4.013  -0.981  -4.782
  238    HA2  GLY  32           HA2      GLY  32   3.189  -0.997  -2.065
  239    HA3  GLY  32           HA1      GLY  32   2.164  -0.087  -3.195
  240    H    SER  33           HN       SER  33   1.430  -2.423  -1.875
  241    HA   SER  33           HA       SER  33   0.704  -4.063  -4.098
  242    HB2  SER  33           HB2      SER  33   2.645  -4.892  -2.020
  243    HB3  SER  33           HB1      SER  33   1.700  -6.159  -2.832
  244    HG   SER  33           HG       SER  33   2.845  -4.239  -4.409
  245    H    CYS  34           HN       CYS  34  -0.922  -5.645  -3.502
  246    HA   CYS  34           HA       CYS  34  -2.632  -4.451  -1.476
  247    HB2  CYS  34           HB2      CYS  34  -3.258  -6.474  -3.605
  248    HB3  CYS  34           HB1      CYS  34  -4.418  -5.592  -2.622
  249    H    ASP  35           HN       ASP  35  -3.149  -5.435   0.348
  250    HA   ASP  35           HA       ASP  35  -2.397  -8.250   0.757
  251    HB2  ASP  35           HB2      ASP  35  -0.722  -6.688   1.688
  252    HB3  ASP  35           HB1      ASP  35  -2.007  -5.885   2.558
  253    H    PHE  36           HN       PHE  36  -3.477  -9.030   2.891
  254    HA   PHE  36           HA       PHE  36  -6.191  -7.982   3.008
  255    HB2  PHE  36           HB2      PHE  36  -6.507  -9.964   1.823
  256    HB3  PHE  36           HB1      PHE  36  -5.244 -10.808   2.697
  257    HD1  PHE  36           HD1      PHE  36  -8.419  -9.038   3.823
  258    HD2  PHE  36           HD2      PHE  36  -6.099 -12.622   3.750
  259    HE1  PHE  36           HE1      PHE  36 -10.084 -10.137   5.208
  260    HE2  PHE  36           HE2      PHE  36  -7.784 -13.728   5.164
  261    HZ   PHE  36           HZ       PHE  36  -9.780 -12.488   5.896
  262    H    HIS  37           HN       HIS  37  -6.591  -7.198   4.875
  263    HA   HIS  37           HA       HIS  37  -6.029  -8.767   7.264
  264    HB2  HIS  37           HB2      HIS  37  -4.789  -7.122   8.438
  265    HB3  HIS  37           HB1      HIS  37  -4.179  -6.955   6.791
  266    HD1  HIS  37           HD1      HIS  37  -5.600  -5.029   9.499
  267    HD2  HIS  37           HD2      HIS  37  -5.389  -4.686   5.375
  268    HE1  HIS  37           HE1      HIS  37  -6.195  -2.636   8.973
  269    HE2  HIS  37           HE2      HIS  37  -6.374  -2.595   6.512
  270    H    VAL  38           HN       VAL  38  -8.212  -7.443   5.387
  271    HA   VAL  38           HA       VAL  38 -10.064  -6.722   7.428
  272    HB   VAL  38           HB       VAL  38 -10.781  -4.631   6.069
  273   HG11  VAL  38          HG11      VAL  38  -8.184  -4.494   7.584
  274   HG12  VAL  38          HG12      VAL  38  -9.805  -4.361   8.276
  275   HG13  VAL  38          HG13      VAL  38  -9.195  -3.115   7.180
  276   HG21  VAL  38          HG21      VAL  38  -9.381  -4.987   4.051
  277   HG22  VAL  38          HG22      VAL  38  -7.940  -4.839   5.069
  278   HG23  VAL  38          HG23      VAL  38  -8.976  -3.457   4.843
  279    H    ALA  39           HN       ALA  39 -12.255  -6.397   6.377
  280    HA   ALA  39           HA       ALA  39 -12.654  -8.472   4.481
  281    HB1  ALA  39           HB1      ALA  39 -14.338  -7.988   6.211
  282    HB2  ALA  39           HB2      ALA  39 -15.030  -7.831   4.597
  283    HB3  ALA  39           HB3      ALA  39 -14.596  -6.389   5.513
  284    H    GLY  40           HN       GLY  40 -11.330  -7.773   2.887
  285    HA2  GLY  40           HA2      GLY  40 -12.174  -6.925   0.568
  286    HA3  GLY  40           HA1      GLY  40 -11.974  -5.379   1.399
  287    H    ARG  41           HN       ARG  41 -10.289  -4.773   0.054
  288    HA   ARG  41           HA       ARG  41  -7.817  -6.305   0.378
  289    HB2  ARG  41           HB2      ARG  41  -8.821  -4.572  -1.822
  290    HB3  ARG  41           HB1      ARG  41  -7.250  -5.406  -1.765
  291    HG2  ARG  41           HG2      ARG  41  -9.924  -6.687  -1.658
  292    HG3  ARG  41           HG1      ARG  41  -9.083  -6.427  -3.141
  293    HD2  ARG  41           HD2      ARG  41  -8.110  -8.088  -0.784
  294    HD3  ARG  41           HD1      ARG  41  -8.688  -8.734  -2.317
  295    HE   ARG  41           HE       ARG  41  -6.713  -7.249  -3.180
  296   HH11  ARG  41          HH11      ARG  41  -6.695  -9.302  -0.286
  297   HH12  ARG  41          HH12      ARG  41  -5.078  -9.798  -0.440
  298   HH21  ARG  41          HH21      ARG  41  -4.488  -8.003  -3.454
  299   HH22  ARG  41          HH22      ARG  41  -3.755  -8.990  -2.284
  300    H    LYS  42           HN       LYS  42  -6.208  -5.178   1.358
  301    HA   LYS  42           HA       LYS  42  -6.559  -2.282   1.540
  302    HB2  LYS  42           HB2      LYS  42  -6.588  -3.389   3.735
  303    HB3  LYS  42           HB1      LYS  42  -5.044  -4.134   3.394
  304    HG2  LYS  42           HG2      LYS  42  -4.727  -2.249   4.883
  305    HG3  LYS  42           HG1      LYS  42  -3.987  -1.892   3.325
  306    HD2  LYS  42           HD2      LYS  42  -5.812  -0.504   2.703
  307    HD3  LYS  42           HD1      LYS  42  -6.731  -0.926   4.170
  308    HE2  LYS  42           HE2      LYS  42  -5.840   1.176   4.604
  309    HE3  LYS  42           HE1      LYS  42  -4.734   0.053   5.391
  310    HZ1  LYS  42           HZ1      LYS  42  -3.200   0.285   3.429
  311    HZ2  LYS  42           HZ2      LYS  42  -3.511   1.809   4.123
  312    HZ3  LYS  42           HZ3      LYS  42  -4.280   1.368   2.745
  313    H    CYS  43           HN       CYS  43  -5.110  -1.087   0.635
  314    HA   CYS  43           HA       CYS  43  -2.873  -2.169  -0.755
  315    HB2  CYS  43           HB2      CYS  43  -4.103  -0.244  -1.586
  316    HB3  CYS  43           HB1      CYS  43  -3.758   0.645  -0.119
  317    H    TYR  44           HN       TYR  44  -0.815  -2.343  -0.011
  318    HA   TYR  44           HA       TYR  44  -0.056  -0.843   2.340
  319    HB2  TYR  44           HB2      TYR  44   0.373  -3.729   1.718
  320    HB3  TYR  44           HB1      TYR  44   1.511  -2.827   2.705
  321    HD1  TYR  44           HD1      TYR  44  -1.926  -4.047   2.500
  322    HD2  TYR  44           HD2      TYR  44   1.038  -2.319   4.955
  323    HE1  TYR  44           HE1      TYR  44  -3.245  -4.629   4.502
  324    HE2  TYR  44           HE2      TYR  44  -0.261  -2.861   6.953
  325    HH   TYR  44           HH       TYR  44  -2.571  -5.071   6.951
  326    H    CYS  45           HN       CYS  45   1.899  -0.078   2.247
  327    HA   CYS  45           HA       CYS  45   3.114  -0.015  -0.361
  328    HB2  CYS  45           HB2      CYS  45   3.635   1.649   2.101
  329    HB3  CYS  45           HB1      CYS  45   4.235   1.976   0.516
  330    H    TYR  46           HN       TYR  46   5.186  -0.644  -0.675
  331    HA   TYR  46           HA       TYR  46   6.399  -2.036   1.574
  332    HB2  TYR  46           HB2      TYR  46   6.325  -2.737  -1.318
  333    HB3  TYR  46           HB1      TYR  46   7.564  -3.401  -0.263
  334    HD1  TYR  46           HD1      TYR  46   3.800  -3.125  -0.542
  335    HD2  TYR  46           HD2      TYR  46   7.150  -5.370   0.824
  336    HE1  TYR  46           HE1      TYR  46   2.319  -4.875   0.124
  337    HE2  TYR  46           HE2      TYR  46   5.683  -7.181   1.481
  338    HH   TYR  46           HH       TYR  46   2.459  -7.389   0.474
  339    H    LYS  47           HN       LYS  47   8.348  -1.651   2.102
  340    HA   LYS  47           HA       LYS  47  10.033  -0.132   0.336
  341    HB2  LYS  47           HB2      LYS  47  10.626   1.510   2.154
  342    HB3  LYS  47           HB1      LYS  47   9.028   1.702   1.460
  343    HG2  LYS  47           HG2      LYS  47   8.045   0.625   3.428
  344    HG3  LYS  47           HG1      LYS  47   9.655   0.394   4.112
  345    HD2  LYS  47           HD2      LYS  47   9.998   2.791   4.209
  346    HD3  LYS  47           HD1      LYS  47   8.448   3.074   3.420
  347    HE2  LYS  47           HE2      LYS  47   8.249   3.441   5.814
  348    HE3  LYS  47           HE1      LYS  47   7.303   2.035   5.337
  349    HZ1  LYS  47           HZ1      LYS  47   9.110   0.623   6.112
  350    HZ2  LYS  47           HZ2      LYS  47   8.492   1.597   7.343
  351    HZ3  LYS  47           HZ3      LYS  47   9.974   1.991   6.622
  352    HA   PRO  48           HA       PRO  48  12.965  -2.934   1.999
  353    HB2  PRO  48           HB2      PRO  48  15.219  -1.736   1.096
  354    HB3  PRO  48           HB1      PRO  48  14.106  -2.583  -0.002
  355    HG2  PRO  48           HG2      PRO  48  14.378   0.333   0.492
  356    HG3  PRO  48           HG1      PRO  48  14.123  -0.537  -1.035
  357    HD2  PRO  48           HD2      PRO  48  12.086   0.690   0.285
  358    HD3  PRO  48           HD1      PRO  48  11.879  -0.767  -0.705
  359    H    CYS  49           HN       CYS  49  13.263  -2.999   3.995
  360    HA   CYS  49           HA       CYS  49  14.883  -0.969   5.351
  361    HB2  CYS  49           HB2      CYS  49  13.784  -2.154   7.413
  362    HB3  CYS  49           HB1      CYS  49  12.842  -0.966   6.520
  363    HA   PRO  50           HA       PRO  50  17.971  -4.108   5.727
  364    HB2  PRO  50           HB2      PRO  50  18.078  -3.806   8.678
  365    HB3  PRO  50           HB1      PRO  50  19.363  -3.525   7.485
  366    HG2  PRO  50           HG2      PRO  50  18.231  -1.486   8.715
  367    HG3  PRO  50           HG1      PRO  50  18.664  -1.394   6.995
  368    HD2  PRO  50           HD2      PRO  50  15.977  -1.827   8.223
  369    HD3  PRO  50           HD1      PRO  50  16.439  -0.810   6.844
  Start of MODEL    6
    1    H1   ARG   1           HT1      ARG   1  15.317  -5.339   4.137
    2    H2   ARG   1           HT2      ARG   1  15.634  -6.563   3.036
    3    H3   ARG   1           HT3      ARG   1  15.890  -6.747   4.723
    4    HA   ARG   1           HA       ARG   1  13.690  -7.745   3.886
    5    HB2  ARG   1           HB2      ARG   1  13.835  -5.665   6.046
    6    HB3  ARG   1           HB1      ARG   1  12.421  -6.665   5.782
    7    HG2  ARG   1           HG2      ARG   1  13.406  -8.522   6.636
    8    HG3  ARG   1           HG1      ARG   1  15.027  -8.023   6.136
    9    HD2  ARG   1           HD2      ARG   1  14.803  -7.884   8.580
   10    HD3  ARG   1           HD1      ARG   1  15.048  -6.319   7.792
   11    HE   ARG   1           HE       ARG   1  12.323  -7.044   8.420
   12   HH11  ARG   1          HH11      ARG   1  15.245  -5.157   9.119
   13   HH12  ARG   1          HH12      ARG   1  14.534  -4.098  10.222
   14   HH21  ARG   1          HH21      ARG   1  11.241  -5.535   9.941
   15   HH22  ARG   1          HH22      ARG   1  12.156  -4.318  10.701
   16    H    MET   2           HN       MET   2  11.484  -7.270   3.571
   17    HA   MET   2           HA       MET   2  10.931  -4.728   2.183
   18    HB2  MET   2           HB2      MET   2   9.695  -7.476   1.971
   19    HB3  MET   2           HB1      MET   2   8.995  -6.025   1.272
   20    HG2  MET   2           HG2      MET   2  10.914  -5.729  -0.127
   21    HG3  MET   2           HG1      MET   2  11.696  -7.132   0.604
   22    HE1  MET   2           HE1      MET   2   9.291 -10.022  -0.697
   23    HE2  MET   2           HE2      MET   2   9.080  -9.124   0.801
   24    HE3  MET   2           HE3      MET   2  10.692  -9.645   0.307
   25    H    CYS   3           HN       CYS   3  10.239  -3.462   3.533
   26    HA   CYS   3           HA       CYS   3   8.635  -4.339   5.746
   27    HB2  CYS   3           HB2      CYS   3  10.064  -1.892   4.964
   28    HB3  CYS   3           HB1      CYS   3   8.692  -1.672   6.022
   29    H    LYS   4           HN       LYS   4   6.591  -4.558   5.579
   30    HA   LYS   4           HA       LYS   4   5.138  -3.286   3.423
   31    HB2  LYS   4           HB2      LYS   4   4.980  -5.766   3.919
   32    HB3  LYS   4           HB1      LYS   4   4.194  -5.347   5.433
   33    HG2  LYS   4           HG2      LYS   4   2.356  -4.325   4.231
   34    HG3  LYS   4           HG1      LYS   4   3.185  -4.611   2.707
   35    HD2  LYS   4           HD2      LYS   4   1.494  -6.265   2.944
   36    HD3  LYS   4           HD1      LYS   4   3.060  -7.027   3.132
   37    HE2  LYS   4           HE2      LYS   4   2.802  -7.047   5.567
   38    HE3  LYS   4           HE1      LYS   4   1.247  -6.230   5.418
   39    HZ1  LYS   4           HZ1      LYS   4   1.825  -8.934   4.289
   40    HZ2  LYS   4           HZ2      LYS   4   0.333  -8.159   4.307
   41    HZ3  LYS   4           HZ3      LYS   4   1.001  -8.649   5.733
   42    H    THR   5           HN       THR   5   4.333  -1.389   3.847
   43    HA   THR   5           HA       THR   5   3.520  -0.642   6.565
   44    HB   THR   5           HB       THR   5   4.723   0.850   4.259
   45    HG1  THR   5           HG1      THR   5   5.644  -0.446   6.269
   46   HG21  THR   5          HG21      THR   5   3.096   2.319   5.271
   47   HG22  THR   5          HG22      THR   5   4.715   2.868   5.669
   48   HG23  THR   5          HG23      THR   5   3.743   2.017   6.893
   49    HA   PRO   6           HA       PRO   6  -0.565  -0.402   4.680
   50    HB2  PRO   6           HB2      PRO   6  -1.799   1.072   6.633
   51    HB3  PRO   6           HB1      PRO   6  -1.495  -0.673   6.764
   52    HG2  PRO   6           HG2      PRO   6   0.015   1.582   7.966
   53    HG3  PRO   6           HG1      PRO   6  -0.375  -0.011   8.648
   54    HD2  PRO   6           HD2      PRO   6   2.071   0.581   7.641
   55    HD3  PRO   6           HD1      PRO   6   1.376  -1.052   7.592
   56    H    SER   7           HN       SER   7  -1.274   0.882   3.141
   57    HA   SER   7           HA       SER   7  -0.337   3.422   2.487
   58    HB2  SER   7           HB2      SER   7  -2.453   3.486   1.091
   59    HB3  SER   7           HB1      SER   7  -1.382   2.137   0.754
   60    HG   SER   7           HG       SER   7  -2.669   0.796   1.658
   61    H    GLY   8           HN       GLY   8  -1.099   5.498   2.815
   62    HA2  GLY   8           HA2      GLY   8  -3.038   5.784   4.966
   63    HA3  GLY   8           HA1      GLY   8  -1.897   6.995   4.406
   64    H    LYS   9           HN       LYS   9  -2.685   6.577   1.494
   65    HA   LYS   9           HA       LYS   9  -5.284   8.039   1.674
   66    HB2  LYS   9           HB2      LYS   9  -4.646   9.405   0.030
   67    HB3  LYS   9           HB1      LYS   9  -3.404   9.475   1.287
   68    HG2  LYS   9           HG2      LYS   9  -1.901   8.332  -0.008
   69    HG3  LYS   9           HG1      LYS   9  -3.142   7.777  -1.136
   70    HD2  LYS   9           HD2      LYS   9  -3.641  10.195  -1.332
   71    HD3  LYS   9           HD1      LYS   9  -1.977  10.440  -0.752
   72    HE2  LYS   9           HE2      LYS   9  -2.839   8.692  -2.970
   73    HE3  LYS   9           HE1      LYS   9  -2.063  10.272  -3.265
   74    HZ1  LYS   9           HZ1      LYS   9  -0.403   8.514  -3.459
   75    HZ2  LYS   9           HZ2      LYS   9  -0.913   7.815  -2.034
   76    HZ3  LYS   9           HZ3      LYS   9  -0.111   9.293  -1.984
   77    H    PHE  10           HN       PHE  10  -4.437   5.263   1.044
   78    HA   PHE  10           HA       PHE  10  -5.025   4.828  -1.655
   79    HB2  PHE  10           HB2      PHE  10  -3.861   3.214  -0.271
   80    HB3  PHE  10           HB1      PHE  10  -5.343   2.852   0.597
   81    HD1  PHE  10           HD1      PHE  10  -6.760   1.177  -0.254
   82    HD2  PHE  10           HD2      PHE  10  -3.876   3.070  -2.653
   83    HE1  PHE  10           HE1      PHE  10  -7.278  -0.417  -2.054
   84    HE2  PHE  10           HE2      PHE  10  -4.353   1.466  -4.524
   85    HZ   PHE  10           HZ       PHE  10  -6.068  -0.274  -4.195
   86    H    LYS  11           HN       LYS  11  -6.640   4.407  -2.730
   87    HA   LYS  11           HA       LYS  11  -9.268   4.718  -1.537
   88    HB2  LYS  11           HB2      LYS  11  -9.703   5.797  -3.989
   89    HB3  LYS  11           HB1      LYS  11  -9.353   6.722  -2.547
   90    HG2  LYS  11           HG2      LYS  11  -8.045   7.556  -4.419
   91    HG3  LYS  11           HG1      LYS  11  -6.987   6.869  -3.203
   92    HD2  LYS  11           HD2      LYS  11  -6.180   6.270  -5.407
   93    HD3  LYS  11           HD1      LYS  11  -6.780   4.822  -4.609
   94    HE2  LYS  11           HE2      LYS  11  -8.832   4.928  -5.902
   95    HE3  LYS  11           HE1      LYS  11  -8.322   6.450  -6.635
   96    HZ1  LYS  11           HZ1      LYS  11  -7.928   4.501  -8.086
   97    HZ2  LYS  11           HZ2      LYS  11  -6.836   3.872  -6.957
   98    HZ3  LYS  11           HZ3      LYS  11  -6.513   5.325  -7.712
   99    H    GLY  12           HN       GLY  12 -10.426   3.003  -1.755
  100    HA2  GLY  12           HA2      GLY  12 -11.861   1.743  -3.152
  101    HA3  GLY  12           HA1      GLY  12 -10.630   1.789  -4.404
  102    H    TYR  13           HN       TYR  13 -11.024  -0.443  -4.553
  103    HA   TYR  13           HA       TYR  13 -10.147  -2.171  -2.405
  104    HB2  TYR  13           HB2      TYR  13 -11.642  -2.458  -4.912
  105    HB3  TYR  13           HB1      TYR  13 -10.539  -3.778  -4.552
  106    HD1  TYR  13           HD1      TYR  13 -11.053  -5.369  -2.977
  107    HD2  TYR  13           HD2      TYR  13 -13.439  -1.869  -3.211
  108    HE1  TYR  13           HE1      TYR  13 -12.637  -6.399  -1.480
  109    HE2  TYR  13           HE2      TYR  13 -15.086  -2.892  -1.681
  110    HH   TYR  13           HH       TYR  13 -15.774  -5.127  -0.926
  111    H    CYS  14           HN       CYS  14  -8.211  -3.221  -2.364
  112    HA   CYS  14           HA       CYS  14  -6.389  -2.533  -4.507
  113    HB2  CYS  14           HB2      CYS  14  -5.815  -2.397  -1.968
  114    HB3  CYS  14           HB1      CYS  14  -5.621  -4.141  -2.079
  115    H    VAL  15           HN       VAL  15  -8.028  -3.938  -5.626
  116    HA   VAL  15           HA       VAL  15  -7.509  -6.726  -5.719
  117    HB   VAL  15           HB       VAL  15  -8.647  -6.701  -7.970
  118   HG11  VAL  15          HG11      VAL  15 -10.866  -6.061  -7.116
  119   HG12  VAL  15          HG12      VAL  15 -10.087  -5.309  -5.722
  120   HG13  VAL  15          HG13      VAL  15  -9.956  -7.046  -5.975
  121   HG21  VAL  15          HG21      VAL  15  -8.947  -3.741  -7.424
  122   HG22  VAL  15          HG22      VAL  15  -9.743  -4.629  -8.722
  123   HG23  VAL  15          HG23      VAL  15  -7.987  -4.462  -8.715
  124    H    ASN  16           HN       ASN  16  -6.068  -3.978  -7.279
  125    HA   ASN  16           HA       ASN  16  -4.157  -5.766  -8.655
  126    HB2  ASN  16           HB2      ASN  16  -5.689  -4.477 -10.212
  127    HB3  ASN  16           HB1      ASN  16  -5.050  -2.993  -9.531
  128   HD21  ASN  16          HD21      ASN  16  -4.991  -3.771 -12.269
  129   HD22  ASN  16          HD22      ASN  16  -3.353  -3.924 -12.757
  130    H    ASN  17           HN       ASN  17  -2.231  -5.596  -7.965
  131    HA   ASN  17           HA       ASN  17  -1.319  -4.029  -5.863
  132    HB2  ASN  17           HB2      ASN  17   0.249  -5.414  -8.044
  133    HB3  ASN  17           HB1      ASN  17   0.977  -4.709  -6.608
  134   HD21  ASN  17          HD21      ASN  17   0.832  -7.511  -7.616
  135   HD22  ASN  17          HD22      ASN  17   0.136  -8.391  -6.303
  136    H    THR  18           HN       THR  18  -1.427  -3.337  -9.249
  137    HA   THR  18           HA       THR  18   0.475  -1.270  -9.251
  138    HB   THR  18           HB       THR  18  -1.729  -1.975 -11.180
  139    HG1  THR  18           HG1      THR  18  -0.344  -3.469 -11.522
  140   HG21  THR  18          HG21      THR  18  -1.101   0.405 -11.473
  141   HG22  THR  18          HG22      THR  18  -0.586  -0.587 -12.832
  142   HG23  THR  18          HG23      THR  18   0.598  -0.067 -11.623
  143    H    ASN  19           HN       ASN  19  -2.942  -1.260  -8.370
  144    HA   ASN  19           HA       ASN  19  -3.313   1.569  -8.596
  145    HB2  ASN  19           HB2      ASN  19  -5.241  -0.063  -8.544
  146    HB3  ASN  19           HB1      ASN  19  -4.778  -0.502  -6.908
  147   HD21  ASN  19          HD21      ASN  19  -6.893  -0.002  -6.235
  148   HD22  ASN  19          HD22      ASN  19  -7.404   1.601  -5.936
  149    H    CYS  20           HN       CYS  20  -2.579  -0.757  -6.086
  150    HA   CYS  20           HA       CYS  20  -2.220   0.834  -3.817
  151    HB2  CYS  20           HB2      CYS  20  -2.023  -1.782  -4.098
  152    HB3  CYS  20           HB1      CYS  20  -0.428  -1.411  -4.587
  153    H    LYS  21           HN       LYS  21  -0.025  -0.357  -6.241
  154    HA   LYS  21           HA       LYS  21   2.248   0.408  -5.312
  155    HB2  LYS  21           HB2      LYS  21   1.422  -0.798  -7.563
  156    HB3  LYS  21           HB1      LYS  21   1.948   0.764  -8.202
  157    HG2  LYS  21           HG2      LYS  21   4.169   0.397  -7.610
  158    HG3  LYS  21           HG1      LYS  21   3.725  -0.970  -6.573
  159    HD2  LYS  21           HD2      LYS  21   4.674  -1.744  -8.713
  160    HD3  LYS  21           HD1      LYS  21   3.003  -2.257  -8.506
  161    HE2  LYS  21           HE2      LYS  21   2.338  -0.250  -9.902
  162    HE3  LYS  21           HE1      LYS  21   4.051  -0.027 -10.242
  163    HZ1  LYS  21           HZ1      LYS  21   4.058  -2.310 -11.186
  164    HZ2  LYS  21           HZ2      LYS  21   3.021  -1.260 -12.009
  165    HZ3  LYS  21           HZ3      LYS  21   2.379  -2.387 -10.951
  166    H    ASN  22           HN       ASN  22   0.158   2.119  -7.631
  167    HA   ASN  22           HA       ASN  22   1.773   4.399  -7.982
  168    HB2  ASN  22           HB2      ASN  22  -1.182   4.046  -8.461
  169    HB3  ASN  22           HB1      ASN  22  -0.271   5.473  -8.935
  170   HD21  ASN  22          HD21      ASN  22  -1.704   3.638 -10.622
  171   HD22  ASN  22          HD22      ASN  22  -0.571   2.979 -11.737
  172    H    VAL  23           HN       VAL  23  -0.910   3.729  -5.786
  173    HA   VAL  23           HA       VAL  23  -0.976   6.366  -4.712
  174    HB   VAL  23           HB       VAL  23  -1.844   3.769  -3.402
  175   HG11  VAL  23          HG11      VAL  23  -1.533   5.681  -1.848
  176   HG12  VAL  23          HG12      VAL  23  -3.192   5.145  -1.943
  177   HG13  VAL  23          HG13      VAL  23  -2.692   6.605  -2.795
  178   HG21  VAL  23          HG21      VAL  23  -3.395   5.747  -5.073
  179   HG22  VAL  23          HG22      VAL  23  -4.104   4.409  -4.175
  180   HG23  VAL  23          HG23      VAL  23  -2.994   4.080  -5.506
  181    H    CYS  24           HN       CYS  24   0.725   3.456  -3.697
  182    HA   CYS  24           HA       CYS  24   1.978   4.596  -1.471
  183    HB2  CYS  24           HB2      CYS  24   2.716   2.283  -3.255
  184    HB3  CYS  24           HB1      CYS  24   3.599   2.629  -1.779
  185    H    ARG  25           HN       ARG  25   2.954   4.382  -4.839
  186    HA   ARG  25           HA       ARG  25   5.489   5.531  -4.514
  187    HB2  ARG  25           HB2      ARG  25   3.706   5.401  -6.937
  188    HB3  ARG  25           HB1      ARG  25   5.389   5.926  -6.980
  189    HG2  ARG  25           HG2      ARG  25   6.195   3.806  -6.382
  190    HG3  ARG  25           HG1      ARG  25   4.612   3.273  -5.819
  191    HD2  ARG  25           HD2      ARG  25   4.966   2.190  -7.867
  192    HD3  ARG  25           HD1      ARG  25   3.827   3.509  -8.162
  193    HE   ARG  25           HE       ARG  25   6.658   3.778  -8.663
  194   HH11  ARG  25          HH11      ARG  25   3.310   3.918  -9.949
  195   HH12  ARG  25          HH12      ARG  25   3.736   4.616 -11.415
  196   HH21  ARG  25          HH21      ARG  25   7.242   4.746 -10.767
  197   HH22  ARG  25          HH22      ARG  25   6.044   5.099 -11.920
  198    H    THR  26           HN       THR  26   2.322   6.940  -4.876
  199    HA   THR  26           HA       THR  26   3.376   9.599  -5.136
  200    HB   THR  26           HB       THR  26   0.852  10.124  -4.514
  201    HG1  THR  26           HG1      THR  26   0.587   7.571  -5.607
  202   HG21  THR  26          HG21      THR  26   0.290   9.968  -6.904
  203   HG22  THR  26          HG22      THR  26   1.723   8.961  -7.147
  204   HG23  THR  26          HG23      THR  26   1.902  10.648  -6.658
  205    H    GLU  27           HN       GLU  27   2.203   7.649  -2.546
  206    HA   GLU  27           HA       GLU  27   2.286   9.682  -0.540
  207    HB2  GLU  27           HB2      GLU  27   2.335   6.670  -0.295
  208    HB3  GLU  27           HB1      GLU  27   2.486   7.707   1.120
  209    HG2  GLU  27           HG2      GLU  27   0.328   8.713   0.634
  210    HG3  GLU  27           HG1      GLU  27   0.241   7.765  -0.841
  211    H    GLY  28           HN       GLY  28   4.725   7.530  -1.761
  212    HA2  GLY  28           HA2      GLY  28   6.964   8.770  -1.745
  213    HA3  GLY  28           HA1      GLY  28   6.688   8.887  -0.013
  214    H    PHE  29           HN       PHE  29   5.964   6.138  -2.056
  215    HA   PHE  29           HA       PHE  29   8.012   4.600  -0.633
  216    HB2  PHE  29           HB2      PHE  29   5.257   3.757  -1.505
  217    HB3  PHE  29           HB1      PHE  29   6.468   2.666  -0.848
  218    HD1  PHE  29           HD1      PHE  29   6.940   2.629   1.479
  219    HD2  PHE  29           HD2      PHE  29   4.134   5.380  -0.120
  220    HE1  PHE  29           HE1      PHE  29   6.118   3.059   3.717
  221    HE2  PHE  29           HE2      PHE  29   3.275   5.856   2.110
  222    HZ   PHE  29           HZ       PHE  29   4.267   4.695   4.078
  223    HA   PRO  30           HA       PRO  30   9.473   3.542  -4.676
  224    HB2  PRO  30           HB2      PRO  30  10.241   0.923  -4.155
  225    HB3  PRO  30           HB1      PRO  30  11.255   2.337  -3.841
  226    HG2  PRO  30           HG2      PRO  30   9.659   0.727  -1.960
  227    HG3  PRO  30           HG1      PRO  30  11.174   1.611  -1.696
  228    HD2  PRO  30           HD2      PRO  30   8.780   2.495  -0.799
  229    HD3  PRO  30           HD1      PRO  30  10.108   3.580  -1.247
  230    H    THR  31           HN       THR  31   7.286   1.245  -2.985
  231    HA   THR  31           HA       THR  31   5.889   0.805  -5.415
  232    HB   THR  31           HB       THR  31   7.729  -0.727  -5.779
  233    HG1  THR  31           HG1      THR  31   6.462  -2.816  -5.529
  234   HG21  THR  31          HG21      THR  31   8.177  -2.615  -4.173
  235   HG22  THR  31          HG22      THR  31   7.109  -1.787  -3.018
  236   HG23  THR  31          HG23      THR  31   8.581  -1.009  -3.567
  237    H    GLY  32           HN       GLY  32   4.250  -1.094  -4.883
  238    HA2  GLY  32           HA2      GLY  32   3.374  -1.141  -2.180
  239    HA3  GLY  32           HA1      GLY  32   2.329  -0.203  -3.257
  240    H    SER  33           HN       SER  33   1.650  -2.575  -1.942
  241    HA   SER  33           HA       SER  33   0.781  -4.156  -4.153
  242    HB2  SER  33           HB2      SER  33   2.852  -5.054  -2.239
  243    HB3  SER  33           HB1      SER  33   1.825  -6.294  -2.970
  244    HG   SER  33           HG       SER  33   2.998  -4.340  -4.573
  245    H    CYS  34           HN       CYS  34  -0.692  -5.964  -3.352
  246    HA   CYS  34           HA       CYS  34  -2.386  -4.675  -1.405
  247    HB2  CYS  34           HB2      CYS  34  -2.975  -6.882  -3.356
  248    HB3  CYS  34           HB1      CYS  34  -4.145  -6.004  -2.369
  249    H    ASP  35           HN       ASP  35  -3.501  -5.850   0.178
  250    HA   ASP  35           HA       ASP  35  -2.481  -8.444   1.002
  251    HB2  ASP  35           HB2      ASP  35  -1.020  -6.796   1.955
  252    HB3  ASP  35           HB1      ASP  35  -2.386  -5.860   2.513
  253    H    PHE  36           HN       PHE  36  -3.898  -9.340   2.672
  254    HA   PHE  36           HA       PHE  36  -6.512  -8.108   2.769
  255    HB2  PHE  36           HB2      PHE  36  -6.900  -9.924   1.315
  256    HB3  PHE  36           HB1      PHE  36  -5.797 -10.973   2.188
  257    HD1  PHE  36           HD1      PHE  36  -7.048 -12.796   2.748
  258    HD2  PHE  36           HD2      PHE  36  -8.691  -8.944   3.547
  259    HE1  PHE  36           HE1      PHE  36  -8.922 -13.837   3.981
  260    HE2  PHE  36           HE2      PHE  36 -10.534  -9.958   4.754
  261    HZ   PHE  36           HZ       PHE  36 -10.670 -12.419   4.982
  262    H    HIS  37           HN       HIS  37  -6.739  -7.441   4.660
  263    HA   HIS  37           HA       HIS  37  -6.329  -9.267   6.903
  264    HB2  HIS  37           HB2      HIS  37  -4.805  -7.858   8.088
  265    HB3  HIS  37           HB1      HIS  37  -4.365  -7.631   6.389
  266    HD1  HIS  37           HD1      HIS  37  -5.683  -5.789   9.281
  267    HD2  HIS  37           HD2      HIS  37  -4.950  -5.145   5.255
  268    HE1  HIS  37           HE1      HIS  37  -5.745  -3.289   8.951
  269    HE2  HIS  37           HE2      HIS  37  -4.666  -3.112   6.724
  270    H    VAL  38           HN       VAL  38  -8.423  -7.638   5.218
  271    HA   VAL  38           HA       VAL  38 -10.104  -6.833   7.375
  272    HB   VAL  38           HB       VAL  38 -10.611  -4.586   6.174
  273   HG11  VAL  38          HG11      VAL  38  -9.523  -4.590   8.356
  274   HG12  VAL  38          HG12      VAL  38  -8.814  -3.346   7.315
  275   HG13  VAL  38          HG13      VAL  38  -7.960  -4.856   7.584
  276   HG21  VAL  38          HG21      VAL  38  -9.325  -5.039   4.102
  277   HG22  VAL  38          HG22      VAL  38  -7.844  -5.056   5.063
  278   HG23  VAL  38          HG23      VAL  38  -8.760  -3.574   4.915
  279    H    ALA  39           HN       ALA  39 -12.274  -6.220   6.511
  280    HA   ALA  39           HA       ALA  39 -13.018  -8.024   4.444
  281    HB1  ALA  39           HB1      ALA  39 -15.298  -7.157   4.808
  282    HB2  ALA  39           HB2      ALA  39 -14.649  -5.886   5.843
  283    HB3  ALA  39           HB3      ALA  39 -14.530  -7.573   6.339
  284    H    GLY  40           HN       GLY  40 -11.761  -7.306   2.831
  285    HA2  GLY  40           HA2      GLY  40 -12.703  -6.000   0.750
  286    HA3  GLY  40           HA1      GLY  40 -12.045  -4.680   1.729
  287    H    ARG  41           HN       ARG  41 -10.319  -4.253   0.348
  288    HA   ARG  41           HA       ARG  41  -8.174  -6.201   0.582
  289    HB2  ARG  41           HB2      ARG  41  -9.043  -4.948  -2.036
  290    HB3  ARG  41           HB1      ARG  41  -7.473  -5.734  -1.747
  291    HG2  ARG  41           HG2      ARG  41  -8.409  -7.695  -1.334
  292    HG3  ARG  41           HG1      ARG  41 -10.108  -7.161  -1.306
  293    HD2  ARG  41           HD2      ARG  41  -9.793  -8.338  -3.342
  294    HD3  ARG  41           HD1      ARG  41  -9.606  -6.652  -3.811
  295    HE   ARG  41           HE       ARG  41  -7.151  -7.069  -3.568
  296   HH11  ARG  41          HH11      ARG  41  -9.340  -9.729  -4.444
  297   HH12  ARG  41          HH12      ARG  41  -8.192 -10.561  -5.375
  298   HH21  ARG  41          HH21      ARG  41  -5.583  -8.199  -4.861
  299   HH22  ARG  41          HH22      ARG  41  -5.968  -9.653  -5.636
  300    H    LYS  42           HN       LYS  42  -6.404  -5.258   1.388
  301    HA   LYS  42           HA       LYS  42  -6.503  -2.360   1.448
  302    HB2  LYS  42           HB2      LYS  42  -6.772  -3.388   3.637
  303    HB3  LYS  42           HB1      LYS  42  -5.333  -4.344   3.430
  304    HG2  LYS  42           HG2      LYS  42  -5.018  -2.433   4.944
  305    HG3  LYS  42           HG1      LYS  42  -3.940  -2.385   3.558
  306    HD2  LYS  42           HD2      LYS  42  -5.282  -0.661   2.519
  307    HD3  LYS  42           HD1      LYS  42  -6.505  -0.798   3.795
  308    HE2  LYS  42           HE2      LYS  42  -5.064   0.025   5.409
  309    HE3  LYS  42           HE1      LYS  42  -3.643  -0.131   4.384
  310    HZ1  LYS  42           HZ1      LYS  42  -4.501   1.669   2.962
  311    HZ2  LYS  42           HZ2      LYS  42  -4.303   2.233   4.487
  312    HZ3  LYS  42           HZ3      LYS  42  -5.866   1.874   3.937
  313    H    CYS  43           HN       CYS  43  -4.917  -1.249   0.714
  314    HA   CYS  43           HA       CYS  43  -2.739  -2.468  -0.700
  315    HB2  CYS  43           HB2      CYS  43  -3.772  -0.652  -1.753
  316    HB3  CYS  43           HB1      CYS  43  -3.786   0.301  -0.284
  317    H    TYR  44           HN       TYR  44  -0.659  -2.551  -0.044
  318    HA   TYR  44           HA       TYR  44   0.131  -1.026   2.286
  319    HB2  TYR  44           HB2      TYR  44   0.601  -3.906   1.682
  320    HB3  TYR  44           HB1      TYR  44   1.719  -2.976   2.667
  321    HD1  TYR  44           HD1      TYR  44  -1.819  -3.976   2.423
  322    HD2  TYR  44           HD2      TYR  44   1.344  -2.720   4.929
  323    HE1  TYR  44           HE1      TYR  44  -3.177  -4.507   4.358
  324    HE2  TYR  44           HE2      TYR  44   0.017  -3.239   6.907
  325    HH   TYR  44           HH       TYR  44  -2.519  -5.163   6.803
  326    H    CYS  45           HN       CYS  45   2.026  -0.194   2.151
  327    HA   CYS  45           HA       CYS  45   3.192  -0.101  -0.467
  328    HB2  CYS  45           HB2      CYS  45   3.621   1.590   1.982
  329    HB3  CYS  45           HB1      CYS  45   4.191   1.961   0.391
  330    H    TYR  46           HN       TYR  46   5.242  -0.713  -0.823
  331    HA   TYR  46           HA       TYR  46   6.529  -2.052   1.410
  332    HB2  TYR  46           HB2      TYR  46   6.508  -2.687  -1.501
  333    HB3  TYR  46           HB1      TYR  46   7.757  -3.330  -0.446
  334    HD1  TYR  46           HD1      TYR  46   7.398  -5.329   0.586
  335    HD2  TYR  46           HD2      TYR  46   3.981  -3.192  -0.787
  336    HE1  TYR  46           HE1      TYR  46   5.990  -7.208   1.189
  337    HE2  TYR  46           HE2      TYR  46   2.567  -4.999  -0.180
  338    HH   TYR  46           HH       TYR  46   2.785  -7.497   0.110
  339    H    LYS  47           HN       LYS  47   8.485  -1.643   1.958
  340    HA   LYS  47           HA       LYS  47  10.126  -0.025   0.259
  341    HB2  LYS  47           HB2      LYS  47  10.628   1.598   2.131
  342    HB3  LYS  47           HB1      LYS  47   9.052   1.769   1.382
  343    HG2  LYS  47           HG2      LYS  47   8.008   0.674   3.288
  344    HG3  LYS  47           HG1      LYS  47   9.588   0.395   4.018
  345    HD2  LYS  47           HD2      LYS  47   9.972   2.762   4.244
  346    HD3  LYS  47           HD1      LYS  47   8.498   3.130   3.352
  347    HE2  LYS  47           HE2      LYS  47   8.198   3.420   5.774
  348    HE3  LYS  47           HE1      LYS  47   7.156   2.154   5.135
  349    HZ1  LYS  47           HZ1      LYS  47   9.708   1.720   6.579
  350    HZ2  LYS  47           HZ2      LYS  47   8.695   0.519   5.922
  351    HZ3  LYS  47           HZ3      LYS  47   8.133   1.487   7.180
  352    HA   PRO  48           HA       PRO  48  13.115  -2.737   1.958
  353    HB2  PRO  48           HB2      PRO  48  15.359  -1.352   1.345
  354    HB3  PRO  48           HB1      PRO  48  14.400  -2.179   0.099
  355    HG2  PRO  48           HG2      PRO  48  14.433   0.704   0.818
  356    HG3  PRO  48           HG1      PRO  48  14.381  -0.060  -0.786
  357    HD2  PRO  48           HD2      PRO  48  12.152   0.935   0.388
  358    HD3  PRO  48           HD1      PRO  48  12.136  -0.484  -0.678
  359    H    CYS  49           HN       CYS  49  13.632  -3.029   3.880
  360    HA   CYS  49           HA       CYS  49  14.977  -0.983   5.478
  361    HB2  CYS  49           HB2      CYS  49  13.856  -2.155   7.450
  362    HB3  CYS  49           HB1      CYS  49  12.795  -1.147   6.475
  363    HA   PRO  50           HA       PRO  50  18.158  -3.988   5.682
  364    HB2  PRO  50           HB2      PRO  50  18.222  -3.733   8.647
  365    HB3  PRO  50           HB1      PRO  50  19.526  -3.438   7.477
  366    HG2  PRO  50           HG2      PRO  50  18.367  -1.410   8.693
  367    HG3  PRO  50           HG1      PRO  50  18.816  -1.314   6.977
  368    HD2  PRO  50           HD2      PRO  50  16.120  -1.739   8.183
  369    HD3  PRO  50           HD1      PRO  50  16.595  -0.748   6.788
  Start of MODEL    7
    1    H1   ARG   1           HT1      ARG   1  15.812  -6.637   4.549
    2    H2   ARG   1           HT2      ARG   1  15.234  -5.177   4.080
    3    H3   ARG   1           HT3      ARG   1  15.212  -6.452   2.964
    4    HA   ARG   1           HA       ARG   1  13.525  -7.543   4.235
    5    HB2  ARG   1           HB2      ARG   1  14.236  -7.141   6.421
    6    HB3  ARG   1           HB1      ARG   1  14.204  -5.396   6.191
    7    HG2  ARG   1           HG2      ARG   1  11.797  -5.412   6.343
    8    HG3  ARG   1           HG1      ARG   1  11.789  -7.179   6.423
    9    HD2  ARG   1           HD2      ARG   1  13.357  -5.556   8.396
   10    HD3  ARG   1           HD1      ARG   1  11.632  -5.829   8.637
   11    HE   ARG   1           HE       ARG   1  12.040  -8.154   8.780
   12   HH11  ARG   1          HH11      ARG   1  15.189  -6.378   8.708
   13   HH12  ARG   1          HH12      ARG   1  15.980  -7.488   9.649
   14   HH21  ARG   1          HH21      ARG   1  13.243  -9.728  10.111
   15   HH22  ARG   1          HH22      ARG   1  14.881  -9.434  10.464
   16    H    MET   2           HN       MET   2  11.419  -7.219   3.950
   17    HA   MET   2           HA       MET   2  10.660  -4.841   2.378
   18    HB2  MET   2           HB2      MET   2   9.428  -7.593   2.642
   19    HB3  MET   2           HB1      MET   2   8.712  -6.268   1.736
   20    HG2  MET   2           HG2      MET   2  10.472  -6.245   0.186
   21    HG3  MET   2           HG1      MET   2  11.456  -7.329   1.168
   22    HE1  MET   2           HE1      MET   2   7.669  -8.596  -1.180
   23    HE2  MET   2           HE2      MET   2   8.345  -6.967  -1.206
   24    HE3  MET   2           HE3      MET   2   7.592  -7.588   0.263
   25    H    CYS   3           HN       CYS   3  10.038  -3.357   3.640
   26    HA   CYS   3           HA       CYS   3   8.474  -3.922   5.997
   27    HB2  CYS   3           HB2      CYS   3   9.777  -1.570   4.787
   28    HB3  CYS   3           HB1      CYS   3   8.436  -1.248   5.897
   29    H    LYS   4           HN       LYS   4   6.393  -4.205   5.864
   30    HA   LYS   4           HA       LYS   4   4.948  -3.113   3.591
   31    HB2  LYS   4           HB2      LYS   4   4.792  -5.569   4.282
   32    HB3  LYS   4           HB1      LYS   4   3.951  -5.014   5.724
   33    HG2  LYS   4           HG2      LYS   4   2.166  -4.085   4.354
   34    HG3  LYS   4           HG1      LYS   4   3.061  -4.516   2.906
   35    HD2  LYS   4           HD2      LYS   4   1.375  -6.139   3.189
   36    HD3  LYS   4           HD1      LYS   4   2.919  -6.877   3.565
   37    HE2  LYS   4           HE2      LYS   4   2.483  -6.630   5.975
   38    HE3  LYS   4           HE1      LYS   4   0.931  -5.875   5.619
   39    HZ1  LYS   4           HZ1      LYS   4   1.666  -8.687   4.919
   40    HZ2  LYS   4           HZ2      LYS   4   0.209  -7.961   4.567
   41    HZ3  LYS   4           HZ3      LYS   4   0.610  -8.221   6.151
   42    H    THR   5           HN       THR   5   4.200  -1.170   3.936
   43    HA   THR   5           HA       THR   5   3.450  -0.286   6.623
   44    HB   THR   5           HB       THR   5   4.450   1.137   4.170
   45    HG1  THR   5           HG1      THR   5   5.599  -0.096   6.147
   46   HG21  THR   5          HG21      THR   5   3.727   2.304   6.878
   47   HG22  THR   5          HG22      THR   5   2.925   2.599   5.315
   48   HG23  THR   5          HG23      THR   5   4.571   3.152   5.570
   49    HA   PRO   6           HA       PRO   6  -0.716  -0.105   4.875
   50    HB2  PRO   6           HB2      PRO   6  -1.849   1.457   6.822
   51    HB3  PRO   6           HB1      PRO   6  -1.602  -0.295   6.975
   52    HG2  PRO   6           HG2      PRO   6  -0.018   1.925   8.135
   53    HG3  PRO   6           HG1      PRO   6  -0.394   0.330   8.813
   54    HD2  PRO   6           HD2      PRO   6   2.021   0.952   7.715
   55    HD3  PRO   6           HD1      PRO   6   1.349  -0.690   7.747
   56    H    SER   7           HN       SER   7  -1.310   1.127   3.280
   57    HA   SER   7           HA       SER   7  -0.288   3.656   2.669
   58    HB2  SER   7           HB2      SER   7  -2.177   3.636   0.974
   59    HB3  SER   7           HB1      SER   7  -1.057   2.270   0.912
   60    HG   SER   7           HG       SER   7  -2.505   0.979   1.542
   61    H    GLY   8           HN       GLY   8  -1.110   5.682   2.826
   62    HA2  GLY   8           HA2      GLY   8  -3.170   6.012   4.878
   63    HA3  GLY   8           HA1      GLY   8  -1.974   7.206   4.415
   64    H    LYS   9           HN       LYS   9  -2.644   6.826   1.408
   65    HA   LYS   9           HA       LYS   9  -5.101   8.391   1.672
   66    HB2  LYS   9           HB2      LYS   9  -4.240   9.585  -0.406
   67    HB3  LYS   9           HB1      LYS   9  -3.534  10.044   1.158
   68    HG2  LYS   9           HG2      LYS   9  -1.666   9.825  -0.135
   69    HG3  LYS   9           HG1      LYS   9  -1.842   8.205   0.450
   70    HD2  LYS   9           HD2      LYS   9  -1.823   7.550  -1.563
   71    HD3  LYS   9           HD1      LYS   9  -3.465   8.213  -1.702
   72    HE2  LYS   9           HE2      LYS   9  -2.082   8.971  -3.499
   73    HE3  LYS   9           HE1      LYS   9  -2.492  10.325  -2.416
   74    HZ1  LYS   9           HZ1      LYS   9  -0.301  10.072  -1.365
   75    HZ2  LYS   9           HZ2      LYS   9  -0.083  10.364  -3.002
   76    HZ3  LYS   9           HZ3      LYS   9   0.062   8.793  -2.384
   77    H    PHE  10           HN       PHE  10  -3.813   5.809   0.630
   78    HA   PHE  10           HA       PHE  10  -5.519   5.209  -1.573
   79    HB2  PHE  10           HB2      PHE  10  -3.490   3.826  -0.739
   80    HB3  PHE  10           HB1      PHE  10  -4.645   3.170   0.415
   81    HD1  PHE  10           HD1      PHE  10  -6.518   1.742  -0.327
   82    HD2  PHE  10           HD2      PHE  10  -3.680   3.392  -2.906
   83    HE1  PHE  10           HE1      PHE  10  -7.280   0.173  -2.069
   84    HE2  PHE  10           HE2      PHE  10  -4.383   1.816  -4.747
   85    HZ   PHE  10           HZ       PHE  10  -6.214   0.206  -4.290
   86    H    LYS  11           HN       LYS  11  -7.538   4.839  -1.530
   87    HA   LYS  11           HA       LYS  11  -8.761   3.358   0.513
   88    HB2  LYS  11           HB2      LYS  11 -10.764   5.081   0.687
   89    HB3  LYS  11           HB1      LYS  11  -9.391   5.187   1.759
   90    HG2  LYS  11           HG2      LYS  11  -9.273   6.765  -0.740
   91    HG3  LYS  11           HG1      LYS  11 -10.426   7.325   0.493
   92    HD2  LYS  11           HD2      LYS  11  -7.442   6.894   0.803
   93    HD3  LYS  11           HD1      LYS  11  -8.244   8.450   0.638
   94    HE2  LYS  11           HE2      LYS  11  -9.426   8.043   2.768
   95    HE3  LYS  11           HE1      LYS  11  -8.590   6.504   2.938
   96    HZ1  LYS  11           HZ1      LYS  11  -7.254   9.154   2.824
   97    HZ2  LYS  11           HZ2      LYS  11  -6.478   7.676   3.090
   98    HZ3  LYS  11           HZ3      LYS  11  -7.546   8.273   4.229
   99    H    GLY  12           HN       GLY  12  -9.501   1.820  -0.655
  100    HA2  GLY  12           HA2      GLY  12 -11.713   1.838  -2.159
  101    HA3  GLY  12           HA1      GLY  12 -10.425   2.205  -3.312
  102    H    TYR  13           HN       TYR  13 -11.343  -0.012  -4.046
  103    HA   TYR  13           HA       TYR  13 -10.420  -2.232  -2.511
  104    HB2  TYR  13           HB2      TYR  13 -12.218  -1.822  -4.700
  105    HB3  TYR  13           HB1      TYR  13 -11.069  -3.096  -5.101
  106    HD1  TYR  13           HD1      TYR  13 -10.854  -5.058  -3.651
  107    HD2  TYR  13           HD2      TYR  13 -13.908  -2.168  -3.059
  108    HE1  TYR  13           HE1      TYR  13 -12.043  -6.640  -2.267
  109    HE2  TYR  13           HE2      TYR  13 -15.146  -3.749  -1.660
  110    HH   TYR  13           HH       TYR  13 -15.298  -6.174  -1.282
  111    H    CYS  14           HN       CYS  14  -8.365  -2.662  -2.421
  112    HA   CYS  14           HA       CYS  14  -6.586  -2.070  -4.618
  113    HB2  CYS  14           HB2      CYS  14  -6.012  -1.971  -2.092
  114    HB3  CYS  14           HB1      CYS  14  -5.891  -3.719  -2.175
  115    H    VAL  15           HN       VAL  15  -8.035  -3.475  -5.952
  116    HA   VAL  15           HA       VAL  15  -7.849  -6.284  -5.848
  117    HB   VAL  15           HB       VAL  15  -8.167  -4.510  -8.290
  118   HG11  VAL  15          HG11      VAL  15  -9.183  -6.477  -9.366
  119   HG12  VAL  15          HG12      VAL  15  -8.749  -7.456  -7.960
  120   HG13  VAL  15          HG13      VAL  15  -7.487  -6.724  -8.958
  121   HG21  VAL  15          HG21      VAL  15 -10.574  -4.967  -8.048
  122   HG22  VAL  15          HG22      VAL  15  -9.911  -4.114  -6.655
  123   HG23  VAL  15          HG23      VAL  15 -10.244  -5.843  -6.550
  124    H    ASN  16           HN       ASN  16  -6.070  -3.992  -7.848
  125    HA   ASN  16           HA       ASN  16  -4.052  -6.018  -8.443
  126    HB2  ASN  16           HB2      ASN  16  -5.103  -5.193 -10.409
  127    HB3  ASN  16           HB1      ASN  16  -5.045  -3.541  -9.840
  128   HD21  ASN  16          HD21      ASN  16  -4.222  -3.003 -11.815
  129   HD22  ASN  16          HD22      ASN  16  -2.575  -3.254 -12.276
  130    H    ASN  17           HN       ASN  17  -1.972  -5.678  -8.085
  131    HA   ASN  17           HA       ASN  17  -1.246  -4.075  -5.881
  132    HB2  ASN  17           HB2      ASN  17   0.461  -5.573  -7.869
  133    HB3  ASN  17           HB1      ASN  17   1.096  -4.784  -6.432
  134   HD21  ASN  17          HD21      ASN  17   1.039  -7.640  -7.243
  135   HD22  ASN  17          HD22      ASN  17   0.245  -8.438  -5.932
  136    H    THR  18           HN       THR  18  -1.155  -3.543  -9.269
  137    HA   THR  18           HA       THR  18   0.801  -1.530  -9.423
  138    HB   THR  18           HB       THR  18  -1.612  -1.869 -11.220
  139    HG1  THR  18           HG1      THR  18  -0.643  -3.867 -11.231
  140   HG21  THR  18          HG21      THR  18  -0.087  -0.995 -12.951
  141   HG22  THR  18          HG22      THR  18   1.187  -0.821 -11.743
  142   HG23  THR  18          HG23      THR  18  -0.270   0.167 -11.634
  143    H    ASN  19           HN       ASN  19  -2.770  -1.235  -8.614
  144    HA   ASN  19           HA       ASN  19  -2.690   1.597  -8.835
  145    HB2  ASN  19           HB2      ASN  19  -4.831   1.389  -7.372
  146    HB3  ASN  19           HB1      ASN  19  -4.956   0.875  -9.060
  147   HD21  ASN  19          HD21      ASN  19  -5.002   0.015  -5.729
  148   HD22  ASN  19          HD22      ASN  19  -5.522  -1.616  -5.989
  149    H    CYS  20           HN       CYS  20  -2.405  -0.738  -6.304
  150    HA   CYS  20           HA       CYS  20  -2.241   0.896  -4.023
  151    HB2  CYS  20           HB2      CYS  20  -2.167  -1.660  -4.323
  152    HB3  CYS  20           HB1      CYS  20  -0.498  -1.442  -4.619
  153    H    LYS  21           HN       LYS  21   0.022  -0.335  -6.315
  154    HA   LYS  21           HA       LYS  21   2.292   0.306  -5.297
  155    HB2  LYS  21           HB2      LYS  21   1.454  -0.782  -7.602
  156    HB3  LYS  21           HB1      LYS  21   2.034   0.780  -8.167
  157    HG2  LYS  21           HG2      LYS  21   4.226   0.326  -7.501
  158    HG3  LYS  21           HG1      LYS  21   3.714  -1.169  -6.692
  159    HD2  LYS  21           HD2      LYS  21   2.992  -2.140  -8.743
  160    HD3  LYS  21           HD1      LYS  21   3.247  -0.630  -9.613
  161    HE2  LYS  21           HE2      LYS  21   4.988  -2.152 -10.105
  162    HE3  LYS  21           HE1      LYS  21   5.576  -0.778  -9.147
  163    HZ1  LYS  21           HZ1      LYS  21   6.532  -2.917  -8.391
  164    HZ2  LYS  21           HZ2      LYS  21   4.984  -3.499  -8.075
  165    HZ3  LYS  21           HZ3      LYS  21   5.600  -2.222  -7.168
  166    H    ASN  22           HN       ASN  22   0.327   2.077  -7.669
  167    HA   ASN  22           HA       ASN  22   1.982   4.336  -8.009
  168    HB2  ASN  22           HB2      ASN  22  -0.962   4.006  -8.563
  169    HB3  ASN  22           HB1      ASN  22  -0.022   5.413  -9.036
  170   HD21  ASN  22          HD21      ASN  22  -1.412   3.559 -10.760
  171   HD22  ASN  22          HD22      ASN  22  -0.218   2.878 -11.807
  172    H    VAL  23           HN       VAL  23  -0.824   3.763  -5.982
  173    HA   VAL  23           HA       VAL  23  -1.000   6.362  -4.983
  174    HB   VAL  23           HB       VAL  23  -1.837   3.736  -3.738
  175   HG11  VAL  23          HG11      VAL  23  -3.257   5.125  -2.235
  176   HG12  VAL  23          HG12      VAL  23  -2.603   6.546  -2.988
  177   HG13  VAL  23          HG13      VAL  23  -1.545   5.508  -2.039
  178   HG21  VAL  23          HG21      VAL  23  -3.299   5.838  -5.305
  179   HG22  VAL  23          HG22      VAL  23  -4.087   4.584  -4.379
  180   HG23  VAL  23          HG23      VAL  23  -3.041   4.131  -5.758
  181    H    CYS  24           HN       CYS  24   0.653   3.513  -3.687
  182    HA   CYS  24           HA       CYS  24   1.838   4.739  -1.480
  183    HB2  CYS  24           HB2      CYS  24   2.543   2.303  -3.093
  184    HB3  CYS  24           HB1      CYS  24   3.440   2.706  -1.645
  185    H    ARG  25           HN       ARG  25   2.941   4.392  -4.798
  186    HA   ARG  25           HA       ARG  25   5.498   5.457  -4.398
  187    HB2  ARG  25           HB2      ARG  25   3.776   5.397  -6.878
  188    HB3  ARG  25           HB1      ARG  25   5.468   5.895  -6.879
  189    HG2  ARG  25           HG2      ARG  25   6.226   3.755  -6.281
  190    HG3  ARG  25           HG1      ARG  25   4.623   3.242  -5.764
  191    HD2  ARG  25           HD2      ARG  25   4.994   2.163  -7.804
  192    HD3  ARG  25           HD1      ARG  25   3.919   3.528  -8.145
  193    HE   ARG  25           HE       ARG  25   6.744   3.848  -8.471
  194   HH11  ARG  25          HH11      ARG  25   3.560   3.530 -10.104
  195   HH12  ARG  25          HH12      ARG  25   4.120   3.977 -11.617
  196   HH21  ARG  25          HH21      ARG  25   7.520   4.474 -10.647
  197   HH22  ARG  25          HH22      ARG  25   6.440   4.525 -11.959
  198    H    THR  26           HN       THR  26   2.394   6.910  -4.873
  199    HA   THR  26           HA       THR  26   3.442   9.597  -5.049
  200    HB   THR  26           HB       THR  26   0.551   8.770  -4.629
  201    HG1  THR  26           HG1      THR  26   1.509   7.734  -6.529
  202   HG21  THR  26          HG21      THR  26   0.048  10.869  -5.809
  203   HG22  THR  26          HG22      THR  26   1.772  11.194  -5.973
  204   HG23  THR  26          HG23      THR  26   1.028  11.181  -4.375
  205    H    GLU  27           HN       GLU  27   2.698   7.404  -2.475
  206    HA   GLU  27           HA       GLU  27   2.376   9.516  -0.519
  207    HB2  GLU  27           HB2      GLU  27   2.571   6.500  -0.155
  208    HB3  GLU  27           HB1      GLU  27   2.370   7.634   1.178
  209    HG2  GLU  27           HG2      GLU  27   0.291   8.412   0.104
  210    HG3  GLU  27           HG1      GLU  27   0.497   7.132  -1.093
  211    H    GLY  28           HN       GLY  28   4.850   7.516  -1.799
  212    HA2  GLY  28           HA2      GLY  28   7.089   8.685  -1.655
  213    HA3  GLY  28           HA1      GLY  28   6.786   8.737   0.078
  214    H    PHE  29           HN       PHE  29   5.983   6.043  -2.010
  215    HA   PHE  29           HA       PHE  29   8.043   4.456  -0.662
  216    HB2  PHE  29           HB2      PHE  29   5.239   3.671  -1.427
  217    HB3  PHE  29           HB1      PHE  29   6.441   2.554  -0.800
  218    HD1  PHE  29           HD1      PHE  29   7.047   2.587   1.515
  219    HD2  PHE  29           HD2      PHE  29   4.190   5.294  -0.040
  220    HE1  PHE  29           HE1      PHE  29   6.356   3.101   3.778
  221    HE2  PHE  29           HE2      PHE  29   3.438   5.861   2.201
  222    HZ   PHE  29           HZ       PHE  29   4.521   4.767   4.169
  223    HA   PRO  30           HA       PRO  30   9.368   3.376  -4.749
  224    HB2  PRO  30           HB2      PRO  30  10.159   0.770  -4.229
  225    HB3  PRO  30           HB1      PRO  30  11.172   2.189  -3.932
  226    HG2  PRO  30           HG2      PRO  30   9.582   0.593  -2.018
  227    HG3  PRO  30           HG1      PRO  30  11.124   1.438  -1.786
  228    HD2  PRO  30           HD2      PRO  30   8.795   2.385  -0.837
  229    HD3  PRO  30           HD1      PRO  30  10.117   3.443  -1.352
  230    H    THR  31           HN       THR  31   7.160   1.191  -2.970
  231    HA   THR  31           HA       THR  31   5.735   0.696  -5.365
  232    HB   THR  31           HB       THR  31   7.514  -0.885  -5.736
  233    HG1  THR  31           HG1      THR  31   5.687  -2.691  -4.744
  234   HG21  THR  31          HG21      THR  31   6.983  -1.883  -2.935
  235   HG22  THR  31          HG22      THR  31   8.443  -1.100  -3.528
  236   HG23  THR  31          HG23      THR  31   8.019  -2.715  -4.099
  237    H    GLY  32           HN       GLY  32   3.963  -1.009  -4.819
  238    HA2  GLY  32           HA2      GLY  32   3.205  -1.073  -2.083
  239    HA3  GLY  32           HA1      GLY  32   2.145  -0.152  -3.167
  240    H    SER  33           HN       SER  33   1.423  -2.481  -1.881
  241    HA   SER  33           HA       SER  33   0.596  -4.086  -4.084
  242    HB2  SER  33           HB2      SER  33   2.637  -4.979  -2.124
  243    HB3  SER  33           HB1      SER  33   1.632  -6.220  -2.899
  244    HG   SER  33           HG       SER  33   2.760  -4.277  -4.480
  245    H    CYS  34           HN       CYS  34  -0.965  -5.789  -3.337
  246    HA   CYS  34           HA       CYS  34  -2.582  -4.503  -1.312
  247    HB2  CYS  34           HB2      CYS  34  -3.340  -6.613  -3.312
  248    HB3  CYS  34           HB1      CYS  34  -4.429  -5.639  -2.333
  249    H    ASP  35           HN       ASP  35  -3.349  -5.534   0.435
  250    HA   ASP  35           HA       ASP  35  -2.421  -8.254   1.021
  251    HB2  ASP  35           HB2      ASP  35  -0.953  -6.602   1.972
  252    HB3  ASP  35           HB1      ASP  35  -2.321  -5.742   2.647
  253    H    PHE  36           HN       PHE  36  -3.706  -9.154   2.884
  254    HA   PHE  36           HA       PHE  36  -6.395  -8.076   2.919
  255    HB2  PHE  36           HB2      PHE  36  -6.674  -9.995   1.599
  256    HB3  PHE  36           HB1      PHE  36  -5.508 -10.920   2.529
  257    HD1  PHE  36           HD1      PHE  36  -8.599  -9.013   3.617
  258    HD2  PHE  36           HD2      PHE  36  -6.564 -12.749   3.356
  259    HE1  PHE  36           HE1      PHE  36 -10.389 -10.053   4.881
  260    HE2  PHE  36           HE2      PHE  36  -8.382 -13.817   4.644
  261    HZ   PHE  36           HZ       PHE  36 -10.298 -12.471   5.409
  262    H    HIS  37           HN       HIS  37  -6.716  -7.300   4.764
  263    HA   HIS  37           HA       HIS  37  -6.358  -8.996   7.105
  264    HB2  HIS  37           HB2      HIS  37  -4.971  -7.494   8.331
  265    HB3  HIS  37           HB1      HIS  37  -4.408  -7.319   6.664
  266    HD1  HIS  37           HD1      HIS  37  -6.038  -5.413   9.368
  267    HD2  HIS  37           HD2      HIS  37  -4.962  -4.919   5.406
  268    HE1  HIS  37           HE1      HIS  37  -6.163  -2.931   8.921
  269    HE2  HIS  37           HE2      HIS  37  -4.901  -2.790   6.789
  270    H    VAL  38           HN       VAL  38  -8.369  -7.480   5.227
  271    HA   VAL  38           HA       VAL  38 -10.233  -6.703   7.232
  272    HB   VAL  38           HB       VAL  38 -10.786  -4.531   5.931
  273   HG11  VAL  38          HG11      VAL  38  -9.799  -4.379   8.142
  274   HG12  VAL  38          HG12      VAL  38  -9.095  -3.147   7.078
  275   HG13  VAL  38          HG13      VAL  38  -8.190  -4.602   7.454
  276   HG21  VAL  38          HG21      VAL  38  -9.408  -4.946   3.921
  277   HG22  VAL  38          HG22      VAL  38  -7.960  -4.901   4.941
  278   HG23  VAL  38          HG23      VAL  38  -8.911  -3.454   4.736
  279    H    ALA  39           HN       ALA  39 -12.366  -6.230   6.141
  280    HA   ALA  39           HA       ALA  39 -12.844  -8.294   4.270
  281    HB1  ALA  39           HB1      ALA  39 -14.523  -7.689   5.963
  282    HB2  ALA  39           HB2      ALA  39 -15.182  -7.546   4.334
  283    HB3  ALA  39           HB3      ALA  39 -14.698  -6.100   5.217
  284    H    GLY  40           HN       GLY  40 -11.492  -7.722   2.666
  285    HA2  GLY  40           HA2      GLY  40 -12.296  -6.907   0.331
  286    HA3  GLY  40           HA1      GLY  40 -12.019  -5.345   1.109
  287    H    ARG  41           HN       ARG  41 -10.256  -4.735  -0.052
  288    HA   ARG  41           HA       ARG  41  -7.840  -6.382   0.262
  289    HB2  ARG  41           HB2      ARG  41  -8.697  -4.566  -1.948
  290    HB3  ARG  41           HB1      ARG  41  -7.175  -5.481  -1.831
  291    HG2  ARG  41           HG2      ARG  41  -9.842  -6.764  -1.783
  292    HG3  ARG  41           HG1      ARG  41  -9.138  -6.280  -3.292
  293    HD2  ARG  41           HD2      ARG  41  -7.766  -8.111  -1.296
  294    HD3  ARG  41           HD1      ARG  41  -8.691  -8.683  -2.690
  295    HE   ARG  41           HE       ARG  41  -6.838  -6.883  -3.656
  296   HH11  ARG  41          HH11      ARG  41  -6.590  -9.926  -1.894
  297   HH12  ARG  41          HH12      ARG  41  -5.231 -10.499  -2.749
  298   HH21  ARG  41          HH21      ARG  41  -5.018  -7.661  -4.907
  299   HH22  ARG  41          HH22      ARG  41  -4.294  -9.145  -4.525
  300    H    LYS  42           HN       LYS  42  -6.246  -5.250   1.365
  301    HA   LYS  42           HA       LYS  42  -6.582  -2.366   1.445
  302    HB2  LYS  42           HB2      LYS  42  -6.927  -3.268   3.658
  303    HB3  LYS  42           HB1      LYS  42  -5.474  -4.226   3.572
  304    HG2  LYS  42           HG2      LYS  42  -5.295  -2.210   5.016
  305    HG3  LYS  42           HG1      LYS  42  -4.085  -2.292   3.745
  306    HD2  LYS  42           HD2      LYS  42  -5.283  -0.627   2.448
  307    HD3  LYS  42           HD1      LYS  42  -6.606  -0.618   3.632
  308    HE2  LYS  42           HE2      LYS  42  -5.288   0.304   5.266
  309    HE3  LYS  42           HE1      LYS  42  -3.780  -0.024   4.420
  310    HZ1  LYS  42           HZ1      LYS  42  -4.365   2.382   4.285
  311    HZ2  LYS  42           HZ2      LYS  42  -5.813   2.034   3.504
  312    HZ3  LYS  42           HZ3      LYS  42  -4.325   1.692   2.784
  313    H    CYS  43           HN       CYS  43  -5.141  -1.252   0.557
  314    HA   CYS  43           HA       CYS  43  -2.854  -2.317  -0.722
  315    HB2  CYS  43           HB2      CYS  43  -4.051  -0.477  -1.661
  316    HB3  CYS  43           HB1      CYS  43  -3.863   0.465  -0.197
  317    H    TYR  44           HN       TYR  44  -0.785  -2.408  -0.015
  318    HA   TYR  44           HA       TYR  44  -0.037  -0.847   2.305
  319    HB2  TYR  44           HB2      TYR  44   0.445  -3.740   1.771
  320    HB3  TYR  44           HB1      TYR  44   1.577  -2.792   2.722
  321    HD1  TYR  44           HD1      TYR  44  -1.926  -3.864   2.541
  322    HD2  TYR  44           HD2      TYR  44   1.190  -2.392   4.979
  323    HE1  TYR  44           HE1      TYR  44  -3.267  -4.351   4.504
  324    HE2  TYR  44           HE2      TYR  44  -0.123  -2.859   6.985
  325    HH   TYR  44           HH       TYR  44  -2.589  -4.867   6.990
  326    H    CYS  45           HN       CYS  45   1.930  -0.097   2.237
  327    HA   CYS  45           HA       CYS  45   3.085   0.007  -0.393
  328    HB2  CYS  45           HB2      CYS  45   3.634   1.695   2.051
  329    HB3  CYS  45           HB1      CYS  45   4.107   2.044   0.424
  330    H    TYR  46           HN       TYR  46   5.144  -0.627  -0.745
  331    HA   TYR  46           HA       TYR  46   6.418  -2.006   1.483
  332    HB2  TYR  46           HB2      TYR  46   6.273  -2.708  -1.411
  333    HB3  TYR  46           HB1      TYR  46   7.524  -3.383  -0.374
  334    HD1  TYR  46           HD1      TYR  46   7.083  -5.300   0.864
  335    HD2  TYR  46           HD2      TYR  46   3.778  -3.123  -0.737
  336    HE1  TYR  46           HE1      TYR  46   5.586  -7.080   1.536
  337    HE2  TYR  46           HE2      TYR  46   2.282  -4.856  -0.048
  338    HH   TYR  46           HH       TYR  46   2.378  -7.307   0.413
  339    H    LYS  47           HN       LYS  47   8.423  -1.657   1.914
  340    HA   LYS  47           HA       LYS  47  10.044  -0.102   0.116
  341    HB2  LYS  47           HB2      LYS  47  10.626   1.585   1.851
  342    HB3  LYS  47           HB1      LYS  47   8.963   1.690   1.306
  343    HG2  LYS  47           HG2      LYS  47   8.213   0.589   3.346
  344    HG3  LYS  47           HG1      LYS  47   9.874   0.402   3.889
  345    HD2  LYS  47           HD2      LYS  47  10.121   2.857   3.868
  346    HD3  LYS  47           HD1      LYS  47   8.418   3.001   3.435
  347    HE2  LYS  47           HE2      LYS  47   8.642   3.311   5.815
  348    HE3  LYS  47           HE1      LYS  47   7.846   1.766   5.513
  349    HZ1  LYS  47           HZ1      LYS  47   9.537   1.549   7.225
  350    HZ2  LYS  47           HZ2      LYS  47  10.721   2.137   6.177
  351    HZ3  LYS  47           HZ3      LYS  47  10.007   0.652   5.872
  352    HA   PRO  48           HA       PRO  48  13.069  -2.755   1.863
  353    HB2  PRO  48           HB2      PRO  48  15.319  -1.487   1.075
  354    HB3  PRO  48           HB1      PRO  48  14.271  -2.335  -0.083
  355    HG2  PRO  48           HG2      PRO  48  14.477   0.571   0.463
  356    HG3  PRO  48           HG1      PRO  48  14.260  -0.279  -1.080
  357    HD2  PRO  48           HD2      PRO  48  12.204   0.912   0.267
  358    HD3  PRO  48           HD1      PRO  48  12.013  -0.475  -0.822
  359    H    CYS  49           HN       CYS  49  13.347  -2.866   3.869
  360    HA   CYS  49           HA       CYS  49  14.785  -0.766   5.340
  361    HB2  CYS  49           HB2      CYS  49  12.895  -2.959   6.251
  362    HB3  CYS  49           HB1      CYS  49  13.765  -1.886   7.363
  363    HA   PRO  50           HA       PRO  50  18.067  -3.862   5.763
  364    HB2  PRO  50           HB2      PRO  50  17.726  -3.836   8.729
  365    HB3  PRO  50           HB1      PRO  50  19.195  -3.533   7.776
  366    HG2  PRO  50           HG2      PRO  50  17.982  -1.527   8.949
  367    HG3  PRO  50           HG1      PRO  50  18.632  -1.351   7.307
  368    HD2  PRO  50           HD2      PRO  50  15.801  -1.725   8.167
  369    HD3  PRO  50           HD1      PRO  50  16.466  -0.679   6.895
  Start of MODEL    8
    1    H1   ARG   1           HT1      ARG   1  15.897  -6.463   5.262
    2    H2   ARG   1           HT2      ARG   1  15.348  -5.048   4.655
    3    H3   ARG   1           HT3      ARG   1  15.501  -6.354   3.606
    4    HA   ARG   1           HA       ARG   1  13.648  -7.428   4.687
    5    HB2  ARG   1           HB2      ARG   1  13.883  -5.108   6.586
    6    HB3  ARG   1           HB1      ARG   1  12.418  -6.058   6.451
    7    HG2  ARG   1           HG2      ARG   1  13.523  -8.009   7.253
    8    HG3  ARG   1           HG1      ARG   1  15.100  -7.214   7.159
    9    HD2  ARG   1           HD2      ARG   1  14.506  -5.673   8.869
   10    HD3  ARG   1           HD1      ARG   1  12.841  -6.215   8.875
   11    HE   ARG   1           HE       ARG   1  13.512  -8.274   9.850
   12   HH11  ARG   1          HH11      ARG   1  16.180  -5.943   9.715
   13   HH12  ARG   1          HH12      ARG   1  17.005  -6.526  11.057
   14   HH21  ARG   1          HH21      ARG   1  14.664  -9.150  11.753
   15   HH22  ARG   1          HH22      ARG   1  16.120  -8.416  12.253
   16    H    MET   2           HN       MET   2  11.484  -7.060   4.219
   17    HA   MET   2           HA       MET   2  10.924  -4.688   2.562
   18    HB2  MET   2           HB2      MET   2   9.773  -7.483   2.573
   19    HB3  MET   2           HB1      MET   2   9.071  -6.137   1.692
   20    HG2  MET   2           HG2      MET   2  11.017  -5.942   0.331
   21    HG3  MET   2           HG1      MET   2  11.850  -7.168   1.287
   22    HE1  MET   2           HE1      MET   2  11.618  -7.254  -1.923
   23    HE2  MET   2           HE2      MET   2  11.240  -8.958  -2.177
   24    HE3  MET   2           HE3      MET   2  12.443  -8.493  -0.976
   25    H    CYS   3           HN       CYS   3  10.273  -3.336   3.922
   26    HA   CYS   3           HA       CYS   3   8.535  -4.039   6.085
   27    HB2  CYS   3           HB2      CYS   3   9.805  -1.554   5.086
   28    HB3  CYS   3           HB1      CYS   3   8.464  -1.404   6.196
   29    H    LYS   4           HN       LYS   4   6.490  -4.411   5.771
   30    HA   LYS   4           HA       LYS   4   5.126  -3.209   3.511
   31    HB2  LYS   4           HB2      LYS   4   4.940  -5.693   4.072
   32    HB3  LYS   4           HB1      LYS   4   4.071  -5.226   5.527
   33    HG2  LYS   4           HG2      LYS   4   2.303  -4.249   4.209
   34    HG3  LYS   4           HG1      LYS   4   3.217  -4.539   2.738
   35    HD2  LYS   4           HD2      LYS   4   1.516  -6.193   2.867
   36    HD3  LYS   4           HD1      LYS   4   3.058  -6.966   3.179
   37    HE2  LYS   4           HE2      LYS   4   2.595  -6.989   5.580
   38    HE3  LYS   4           HE1      LYS   4   1.079  -6.130   5.313
   39    HZ1  LYS   4           HZ1      LYS   4   0.781  -8.565   5.602
   40    HZ2  LYS   4           HZ2      LYS   4   1.637  -8.837   4.167
   41    HZ3  LYS   4           HZ3      LYS   4   0.185  -8.038   4.144
   42    H    THR   5           HN       THR   5   4.298  -1.292   3.854
   43    HA   THR   5           HA       THR   5   3.594  -0.391   6.550
   44    HB   THR   5           HB       THR   5   4.326   1.054   4.019
   45    HG1  THR   5           HG1      THR   5   5.854  -0.321   5.100
   46   HG21  THR   5          HG21      THR   5   2.999   2.419   5.545
   47   HG22  THR   5          HG22      THR   5   4.653   2.996   5.413
   48   HG23  THR   5          HG23      THR   5   4.145   2.098   6.862
   49    HA   PRO   6           HA       PRO   6  -0.588  -0.287   4.745
   50    HB2  PRO   6           HB2      PRO   6  -1.550   1.261   6.983
   51    HB3  PRO   6           HB1      PRO   6  -1.805  -0.462   6.629
   52    HG2  PRO   6           HG2      PRO   6  -0.315   0.480   8.737
   53    HG3  PRO   6           HG1      PRO   6  -0.195  -1.142   8.035
   54    HD2  PRO   6           HD2      PRO   6   1.606   1.193   7.665
   55    HD3  PRO   6           HD1      PRO   6   1.965  -0.546   7.664
   56    H    SER   7           HN       SER   7  -0.887   1.045   3.074
   57    HA   SER   7           HA       SER   7  -0.006   3.619   2.747
   58    HB2  SER   7           HB2      SER   7  -2.469   2.525   1.463
   59    HB3  SER   7           HB1      SER   7  -1.167   3.487   0.743
   60    HG   SER   7           HG       SER   7   0.011   1.770   0.504
   61    H    GLY   8           HN       GLY   8  -0.902   5.605   3.031
   62    HA2  GLY   8           HA2      GLY   8  -3.071   5.731   4.958
   63    HA3  GLY   8           HA1      GLY   8  -1.945   7.014   4.554
   64    H    LYS   9           HN       LYS   9  -2.503   6.621   1.527
   65    HA   LYS   9           HA       LYS   9  -5.029   8.102   1.732
   66    HB2  LYS   9           HB2      LYS   9  -4.515   9.306  -0.071
   67    HB3  LYS   9           HB1      LYS   9  -3.191   9.439   1.079
   68    HG2  LYS   9           HG2      LYS   9  -1.848   8.090  -0.241
   69    HG3  LYS   9           HG1      LYS   9  -3.183   7.702  -1.335
   70    HD2  LYS   9           HD2      LYS   9  -3.501  10.137  -1.444
   71    HD3  LYS   9           HD1      LYS   9  -1.845  10.273  -0.833
   72    HE2  LYS   9           HE2      LYS   9  -2.757   8.670  -3.105
   73    HE3  LYS   9           HE1      LYS   9  -1.930  10.235  -3.340
   74    HZ1  LYS   9           HZ1      LYS   9  -0.329   8.408  -3.601
   75    HZ2  LYS   9           HZ2      LYS   9  -0.824   7.713  -2.168
   76    HZ3  LYS   9           HZ3      LYS   9   0.006   9.174  -2.133
   77    H    PHE  10           HN       PHE  10  -4.127   5.235   1.152
   78    HA   PHE  10           HA       PHE  10  -5.585   4.790  -1.269
   79    HB2  PHE  10           HB2      PHE  10  -3.682   3.317  -0.296
   80    HB3  PHE  10           HB1      PHE  10  -5.020   2.703   0.705
   81    HD1  PHE  10           HD1      PHE  10  -6.697   1.239  -0.174
   82    HD2  PHE  10           HD2      PHE  10  -3.849   3.130  -2.587
   83    HE1  PHE  10           HE1      PHE  10  -7.412  -0.192  -2.051
   84    HE2  PHE  10           HE2      PHE  10  -4.500   1.710  -4.538
   85    HZ   PHE  10           HZ       PHE  10  -6.314   0.040  -4.251
   86    H    LYS  11           HN       LYS  11  -7.589   4.935  -1.279
   87    HA   LYS  11           HA       LYS  11  -9.212   3.622   0.740
   88    HB2  LYS  11           HB2      LYS  11  -9.718   6.180  -0.777
   89    HB3  LYS  11           HB1      LYS  11 -11.015   5.258  -0.035
   90    HG2  LYS  11           HG2      LYS  11 -10.512   6.949   1.444
   91    HG3  LYS  11           HG1      LYS  11  -9.735   5.476   2.085
   92    HD2  LYS  11           HD2      LYS  11  -7.590   6.279   1.323
   93    HD3  LYS  11           HD1      LYS  11  -8.347   7.708   0.611
   94    HE2  LYS  11           HE2      LYS  11  -9.117   8.417   2.791
   95    HE3  LYS  11           HE1      LYS  11  -8.435   6.971   3.528
   96    HZ1  LYS  11           HZ1      LYS  11  -6.826   9.042   2.126
   97    HZ2  LYS  11           HZ2      LYS  11  -6.229   7.744   3.058
   98    HZ3  LYS  11           HZ3      LYS  11  -7.059   8.989   3.794
   99    H    GLY  12           HN       GLY  12 -10.558   2.098  -0.088
  100    HA2  GLY  12           HA2      GLY  12 -12.121   1.601  -1.922
  101    HA3  GLY  12           HA1      GLY  12 -10.802   2.015  -3.011
  102    H    TYR  13           HN       TYR  13 -11.150  -0.085  -3.889
  103    HA   TYR  13           HA       TYR  13 -10.290  -2.318  -2.229
  104    HB2  TYR  13           HB2      TYR  13 -11.960  -2.060  -4.636
  105    HB3  TYR  13           HB1      TYR  13 -10.907  -3.466  -4.581
  106    HD1  TYR  13           HD1      TYR  13 -13.871  -1.875  -3.173
  107    HD2  TYR  13           HD2      TYR  13 -11.151  -5.116  -2.837
  108    HE1  TYR  13           HE1      TYR  13 -15.472  -3.066  -1.727
  109    HE2  TYR  13           HE2      TYR  13 -12.685  -6.312  -1.416
  110    HH   TYR  13           HH       TYR  13 -14.661  -5.743   0.136
  111    H    CYS  14           HN       CYS  14  -8.294  -3.012  -2.326
  112    HA   CYS  14           HA       CYS  14  -6.627  -2.216  -4.551
  113    HB2  CYS  14           HB2      CYS  14  -5.969  -2.152  -2.029
  114    HB3  CYS  14           HB1      CYS  14  -5.731  -3.884  -2.205
  115    H    VAL  15           HN       VAL  15  -8.392  -3.719  -5.559
  116    HA   VAL  15           HA       VAL  15  -7.806  -6.485  -5.711
  117    HB   VAL  15           HB       VAL  15  -9.076  -6.468  -7.896
  118   HG11  VAL  15          HG11      VAL  15 -11.255  -5.840  -6.916
  119   HG12  VAL  15          HG12      VAL  15 -10.397  -5.132  -5.544
  120   HG13  VAL  15          HG13      VAL  15 -10.283  -6.861  -5.864
  121   HG21  VAL  15          HG21      VAL  15 -10.248  -4.412  -8.570
  122   HG22  VAL  15          HG22      VAL  15  -8.497  -4.215  -8.662
  123   HG23  VAL  15          HG23      VAL  15  -9.391  -3.518  -7.314
  124    H    ASN  16           HN       ASN  16  -6.535  -3.714  -7.270
  125    HA   ASN  16           HA       ASN  16  -4.787  -5.357  -8.960
  126    HB2  ASN  16           HB2      ASN  16  -6.207  -3.963 -10.307
  127    HB3  ASN  16           HB1      ASN  16  -5.892  -2.567  -9.294
  128   HD21  ASN  16          HD21      ASN  16  -5.246  -1.338 -10.967
  129   HD22  ASN  16          HD22      ASN  16  -3.798  -1.561 -11.872
  130    H    ASN  17           HN       ASN  17  -2.848  -5.464  -8.356
  131    HA   ASN  17           HA       ASN  17  -1.695  -4.120  -6.176
  132    HB2  ASN  17           HB2      ASN  17  -0.394  -5.657  -8.426
  133    HB3  ASN  17           HB1      ASN  17   0.464  -5.089  -7.001
  134   HD21  ASN  17          HD21      ASN  17  -0.115  -7.829  -8.043
  135   HD22  ASN  17          HD22      ASN  17  -0.894  -8.626  -6.721
  136    H    THR  18           HN       THR  18  -1.838  -3.329  -9.525
  137    HA   THR  18           HA       THR  18   0.242  -1.449  -9.488
  138    HB   THR  18           HB       THR  18  -2.102  -1.733 -11.379
  139    HG1  THR  18           HG1      THR  18  -0.911  -3.296 -12.090
  140   HG21  THR  18          HG21      THR  18  -0.785  -0.362 -12.952
  141   HG22  THR  18          HG22      THR  18   0.452  -0.129 -11.716
  142   HG23  THR  18          HG23      THR  18  -1.154   0.562 -11.492
  143    H    ASN  19           HN       ASN  19  -3.171  -1.228  -8.535
  144    HA   ASN  19           HA       ASN  19  -3.474   1.557  -8.391
  145    HB2  ASN  19           HB2      ASN  19  -4.541  -0.682  -6.677
  146    HB3  ASN  19           HB1      ASN  19  -4.881   0.994  -6.333
  147   HD21  ASN  19          HD21      ASN  19  -6.927   0.758  -6.495
  148   HD22  ASN  19          HD22      ASN  19  -7.801   0.491  -7.968
  149    H    CYS  20           HN       CYS  20  -2.501  -0.859  -6.067
  150    HA   CYS  20           HA       CYS  20  -1.933   0.693  -3.855
  151    HB2  CYS  20           HB2      CYS  20  -1.889  -1.922  -4.272
  152    HB3  CYS  20           HB1      CYS  20  -0.227  -1.587  -4.584
  153    H    LYS  21           HN       LYS  21   0.116  -0.572  -6.409
  154    HA   LYS  21           HA       LYS  21   2.378   0.259  -5.457
  155    HB2  LYS  21           HB2      LYS  21   1.713  -1.100  -7.698
  156    HB3  LYS  21           HB1      LYS  21   2.162   0.465  -8.392
  157    HG2  LYS  21           HG2      LYS  21   4.349   0.341  -7.630
  158    HG3  LYS  21           HG1      LYS  21   3.932  -0.984  -6.546
  159    HD2  LYS  21           HD2      LYS  21   5.229  -1.809  -8.467
  160    HD3  LYS  21           HD1      LYS  21   3.611  -2.486  -8.437
  161    HE2  LYS  21           HE2      LYS  21   4.326  -0.104 -10.146
  162    HE3  LYS  21           HE1      LYS  21   4.567  -1.755 -10.703
  163    HZ1  LYS  21           HZ1      LYS  21   2.170  -2.132 -10.400
  164    HZ2  LYS  21           HZ2      LYS  21   2.481  -0.916 -11.508
  165    HZ3  LYS  21           HZ3      LYS  21   1.965  -0.514  -9.947
  166    H    ASN  22           HN       ASN  22   0.103   1.956  -7.596
  167    HA   ASN  22           HA       ASN  22   1.755   4.207  -8.101
  168    HB2  ASN  22           HB2      ASN  22  -1.239   3.917  -8.402
  169    HB3  ASN  22           HB1      ASN  22  -0.314   5.303  -8.954
  170   HD21  ASN  22          HD21      ASN  22  -1.923   3.561 -10.530
  171   HD22  ASN  22          HD22      ASN  22  -0.903   2.839 -11.716
  172    H    VAL  23           HN       VAL  23  -0.885   3.574  -5.834
  173    HA   VAL  23           HA       VAL  23  -0.946   6.195  -4.761
  174    HB   VAL  23           HB       VAL  23  -1.827   3.590  -3.444
  175   HG11  VAL  23          HG11      VAL  23  -2.488   6.447  -2.771
  176   HG12  VAL  23          HG12      VAL  23  -1.493   5.361  -1.815
  177   HG13  VAL  23          HG13      VAL  23  -3.222   5.044  -1.998
  178   HG21  VAL  23          HG21      VAL  23  -4.140   4.325  -4.114
  179   HG22  VAL  23          HG22      VAL  23  -3.138   3.896  -5.477
  180   HG23  VAL  23          HG23      VAL  23  -3.409   5.604  -5.071
  181    H    CYS  24           HN       CYS  24   0.824   3.303  -3.803
  182    HA   CYS  24           HA       CYS  24   2.072   4.458  -1.579
  183    HB2  CYS  24           HB2      CYS  24   2.753   2.132  -3.347
  184    HB3  CYS  24           HB1      CYS  24   3.737   2.507  -1.947
  185    H    ARG  25           HN       ARG  25   3.022   4.287  -4.952
  186    HA   ARG  25           HA       ARG  25   5.559   5.456  -4.577
  187    HB2  ARG  25           HB2      ARG  25   3.818   5.275  -7.029
  188    HB3  ARG  25           HB1      ARG  25   5.470   5.891  -7.056
  189    HG2  ARG  25           HG2      ARG  25   6.394   3.823  -6.555
  190    HG3  ARG  25           HG1      ARG  25   4.888   3.211  -5.872
  191    HD2  ARG  25           HD2      ARG  25   5.165   2.120  -7.934
  192    HD3  ARG  25           HD1      ARG  25   3.913   3.331  -8.146
  193    HE   ARG  25           HE       ARG  25   6.663   3.776  -8.930
  194   HH11  ARG  25          HH11      ARG  25   3.192   3.800  -9.795
  195   HH12  ARG  25          HH12      ARG  25   3.397   4.531 -11.293
  196   HH21  ARG  25          HH21      ARG  25   6.952   4.802 -11.072
  197   HH22  ARG  25          HH22      ARG  25   5.610   5.122 -12.064
  198    H    THR  26           HN       THR  26   2.386   6.803  -4.965
  199    HA   THR  26           HA       THR  26   3.391   9.478  -5.239
  200    HB   THR  26           HB       THR  26   0.856   9.959  -4.645
  201    HG1  THR  26           HG1      THR  26   0.655   7.387  -5.715
  202   HG21  THR  26          HG21      THR  26   1.766   8.777  -7.257
  203   HG22  THR  26          HG22      THR  26   1.919  10.475  -6.789
  204   HG23  THR  26          HG23      THR  26   0.319   9.764  -7.039
  205    H    GLU  27           HN       GLU  27   2.209   7.528  -2.629
  206    HA   GLU  27           HA       GLU  27   2.302   9.590  -0.657
  207    HB2  GLU  27           HB2      GLU  27   2.392   6.582  -0.329
  208    HB3  GLU  27           HB1      GLU  27   2.517   7.666   1.052
  209    HG2  GLU  27           HG2      GLU  27   0.353   8.646   0.467
  210    HG3  GLU  27           HG1      GLU  27   0.290   7.556  -0.916
  211    H    GLY  28           HN       GLY  28   4.759   7.496  -1.915
  212    HA2  GLY  28           HA2      GLY  28   6.971   8.740  -1.948
  213    HA3  GLY  28           HA1      GLY  28   6.714   8.934  -0.217
  214    H    PHE  29           HN       PHE  29   6.010   6.075  -2.109
  215    HA   PHE  29           HA       PHE  29   8.108   4.658  -0.639
  216    HB2  PHE  29           HB2      PHE  29   5.370   3.707  -1.459
  217    HB3  PHE  29           HB1      PHE  29   6.616   2.674  -0.777
  218    HD1  PHE  29           HD1      PHE  29   4.280   5.417  -0.112
  219    HD2  PHE  29           HD2      PHE  29   7.050   2.656   1.536
  220    HE1  PHE  29           HE1      PHE  29   3.412   5.930   2.103
  221    HE2  PHE  29           HE2      PHE  29   6.222   3.129   3.775
  222    HZ   PHE  29           HZ       PHE  29   4.385   4.788   4.096
  223    HA   PRO  30           HA       PRO  30   9.660   3.446  -4.601
  224    HB2  PRO  30           HB2      PRO  30  10.313   0.804  -3.943
  225    HB3  PRO  30           HB1      PRO  30  11.392   2.188  -3.756
  226    HG2  PRO  30           HG2      PRO  30   9.827   0.757  -1.728
  227    HG3  PRO  30           HG1      PRO  30  11.325   1.687  -1.555
  228    HD2  PRO  30           HD2      PRO  30   8.905   2.563  -0.710
  229    HD3  PRO  30           HD1      PRO  30  10.220   3.646  -1.190
  230    H    THR  31           HN       THR  31   7.456   1.170  -2.909
  231    HA   THR  31           HA       THR  31   6.057   0.729  -5.351
  232    HB   THR  31           HB       THR  31   7.941  -0.791  -5.655
  233    HG1  THR  31           HG1      THR  31   6.686  -2.835  -5.633
  234   HG21  THR  31          HG21      THR  31   8.661  -1.113  -3.389
  235   HG22  THR  31          HG22      THR  31   8.266  -2.715  -4.036
  236   HG23  THR  31          HG23      THR  31   7.142  -1.875  -2.959
  237    H    GLY  32           HN       GLY  32   4.390  -1.080  -4.872
  238    HA2  GLY  32           HA2      GLY  32   3.535  -1.270  -2.132
  239    HA3  GLY  32           HA1      GLY  32   2.484  -0.304  -3.173
  240    H    SER  33           HN       SER  33   1.808  -2.722  -1.899
  241    HA   SER  33           HA       SER  33   0.908  -4.238  -4.186
  242    HB2  SER  33           HB2      SER  33   3.136  -5.277  -3.544
  243    HB3  SER  33           HB1      SER  33   2.449  -5.633  -1.978
  244    HG   SER  33           HG       SER  33   1.085  -7.093  -2.836
  245    H    CYS  34           HN       CYS  34  -0.831  -5.750  -3.527
  246    HA   CYS  34           HA       CYS  34  -2.367  -4.447  -1.469
  247    HB2  CYS  34           HB2      CYS  34  -3.175  -6.555  -3.461
  248    HB3  CYS  34           HB1      CYS  34  -4.251  -5.611  -2.436
  249    H    ASP  35           HN       ASP  35  -3.574  -5.677   0.044
  250    HA   ASP  35           HA       ASP  35  -2.495  -8.277   0.804
  251    HB2  ASP  35           HB2      ASP  35  -1.117  -6.599   1.797
  252    HB3  ASP  35           HB1      ASP  35  -2.532  -5.747   2.382
  253    H    PHE  36           HN       PHE  36  -3.892  -9.321   2.337
  254    HA   PHE  36           HA       PHE  36  -6.560  -8.186   2.453
  255    HB2  PHE  36           HB2      PHE  36  -6.562 -10.038   0.844
  256    HB3  PHE  36           HB1      PHE  36  -5.771 -11.085   2.006
  257    HD1  PHE  36           HD1      PHE  36  -7.711 -12.567   1.228
  258    HD2  PHE  36           HD2      PHE  36  -8.275  -9.093   3.598
  259    HE1  PHE  36           HE1      PHE  36  -9.911 -13.424   1.960
  260    HE2  PHE  36           HE2      PHE  36 -10.444  -9.906   4.341
  261    HZ   PHE  36           HZ       PHE  36 -11.289 -12.099   3.518
  262    H    HIS  37           HN       HIS  37  -6.671  -7.530   4.408
  263    HA   HIS  37           HA       HIS  37  -6.251  -9.467   6.565
  264    HB2  HIS  37           HB2      HIS  37  -4.675  -8.141   7.763
  265    HB3  HIS  37           HB1      HIS  37  -4.298  -7.805   6.066
  266    HD1  HIS  37           HD1      HIS  37  -5.533  -6.161   9.112
  267    HD2  HIS  37           HD2      HIS  37  -4.897  -5.251   5.119
  268    HE1  HIS  37           HE1      HIS  37  -5.594  -3.648   8.961
  269    HE2  HIS  37           HE2      HIS  37  -4.551  -3.332   6.727
  270    H    VAL  38           HN       VAL  38  -8.359  -7.689   5.022
  271    HA   VAL  38           HA       VAL  38  -9.994  -7.037   7.272
  272    HB   VAL  38           HB       VAL  38 -10.521  -4.714   6.235
  273   HG11  VAL  38          HG11      VAL  38  -9.374  -4.841   8.374
  274   HG12  VAL  38          HG12      VAL  38  -8.664  -3.553   7.381
  275   HG13  VAL  38          HG13      VAL  38  -7.836  -5.090   7.547
  276   HG21  VAL  38          HG21      VAL  38  -9.308  -5.026   4.104
  277   HG22  VAL  38          HG22      VAL  38  -7.794  -5.118   5.010
  278   HG23  VAL  38          HG23      VAL  38  -8.703  -3.622   4.995
  279    H    ALA  39           HN       ALA  39 -12.187  -6.382   6.490
  280    HA   ALA  39           HA       ALA  39 -12.960  -8.106   4.372
  281    HB1  ALA  39           HB1      ALA  39 -14.436  -7.728   6.308
  282    HB2  ALA  39           HB2      ALA  39 -15.241  -7.286   4.802
  283    HB3  ALA  39           HB3      ALA  39 -14.592  -6.031   5.857
  284    H    GLY  40           HN       GLY  40 -11.702  -7.300   2.769
  285    HA2  GLY  40           HA2      GLY  40 -12.720  -5.954   0.738
  286    HA3  GLY  40           HA1      GLY  40 -12.055  -4.658   1.743
  287    H    ARG  41           HN       ARG  41 -10.342  -4.161   0.375
  288    HA   ARG  41           HA       ARG  41  -8.186  -6.089   0.518
  289    HB2  ARG  41           HB2      ARG  41  -9.120  -4.813  -2.061
  290    HB3  ARG  41           HB1      ARG  41  -7.519  -5.553  -1.805
  291    HG2  ARG  41           HG2      ARG  41  -8.425  -7.551  -1.365
  292    HG3  ARG  41           HG1      ARG  41 -10.130  -7.043  -1.416
  293    HD2  ARG  41           HD2      ARG  41  -9.654  -8.253  -3.422
  294    HD3  ARG  41           HD1      ARG  41  -9.588  -6.553  -3.881
  295    HE   ARG  41           HE       ARG  41  -7.134  -6.745  -3.632
  296   HH11  ARG  41          HH11      ARG  41  -8.975  -9.697  -4.354
  297   HH12  ARG  41          HH12      ARG  41  -7.720 -10.427  -5.235
  298   HH21  ARG  41          HH21      ARG  41  -5.435  -7.732  -4.846
  299   HH22  ARG  41          HH22      ARG  41  -5.631  -9.265  -5.541
  300    H    LYS  42           HN       LYS  42  -6.429  -5.146   1.330
  301    HA   LYS  42           HA       LYS  42  -6.536  -2.256   1.475
  302    HB2  LYS  42           HB2      LYS  42  -6.681  -3.434   3.618
  303    HB3  LYS  42           HB1      LYS  42  -5.239  -4.341   3.280
  304    HG2  LYS  42           HG2      LYS  42  -4.860  -2.547   4.888
  305    HG3  LYS  42           HG1      LYS  42  -3.890  -2.344   3.438
  306    HD2  LYS  42           HD2      LYS  42  -5.373  -0.603   2.642
  307    HD3  LYS  42           HD1      LYS  42  -6.472  -0.869   4.008
  308    HE2  LYS  42           HE2      LYS  42  -4.865  -0.188   5.538
  309    HE3  LYS  42           HE1      LYS  42  -3.578  -0.127   4.336
  310    HZ1  LYS  42           HZ1      LYS  42  -4.871   1.726   3.233
  311    HZ2  LYS  42           HZ2      LYS  42  -4.266   2.141   4.702
  312    HZ3  LYS  42           HZ3      LYS  42  -5.914   1.761   4.562
  313    H    CYS  43           HN       CYS  43  -4.719  -1.093   1.017
  314    HA   CYS  43           HA       CYS  43  -2.717  -2.375  -0.651
  315    HB2  CYS  43           HB2      CYS  43  -3.861  -0.475  -1.589
  316    HB3  CYS  43           HB1      CYS  43  -3.541   0.479  -0.157
  317    H    TYR  44           HN       TYR  44  -0.591  -2.364  -0.096
  318    HA   TYR  44           HA       TYR  44   0.226  -0.948   2.283
  319    HB2  TYR  44           HB2      TYR  44   0.630  -3.831   1.644
  320    HB3  TYR  44           HB1      TYR  44   1.764  -2.934   2.644
  321    HD1  TYR  44           HD1      TYR  44  -1.735  -3.973   2.371
  322    HD2  TYR  44           HD2      TYR  44   1.331  -2.552   4.896
  323    HE1  TYR  44           HE1      TYR  44  -3.132  -4.461   4.285
  324    HE2  TYR  44           HE2      TYR  44  -0.034  -3.021   6.861
  325    HH   TYR  44           HH       TYR  44  -2.507  -5.006   6.782
  326    H    CYS  45           HN       CYS  45   2.103  -0.131   2.152
  327    HA   CYS  45           HA       CYS  45   3.367  -0.059  -0.444
  328    HB2  CYS  45           HB2      CYS  45   3.730   1.639   2.014
  329    HB3  CYS  45           HB1      CYS  45   4.405   1.974   0.459
  330    H    TYR  46           HN       TYR  46   5.417  -0.736  -0.747
  331    HA   TYR  46           HA       TYR  46   6.654  -2.008   1.556
  332    HB2  TYR  46           HB2      TYR  46   6.792  -2.721  -1.344
  333    HB3  TYR  46           HB1      TYR  46   7.950  -3.339  -0.180
  334    HD1  TYR  46           HD1      TYR  46   7.518  -5.349   0.809
  335    HD2  TYR  46           HD2      TYR  46   4.237  -3.122  -0.717
  336    HE1  TYR  46           HE1      TYR  46   6.044  -7.197   1.339
  337    HE2  TYR  46           HE2      TYR  46   2.734  -4.922  -0.183
  338    HH   TYR  46           HH       TYR  46   2.914  -7.437   0.091
  339    H    LYS  47           HN       LYS  47   8.581  -1.558   2.158
  340    HA   LYS  47           HA       LYS  47  10.235   0.036   0.448
  341    HB2  LYS  47           HB2      LYS  47  10.705   1.710   2.268
  342    HB3  LYS  47           HB1      LYS  47   9.113   1.825   1.547
  343    HG2  LYS  47           HG2      LYS  47   8.135   0.739   3.498
  344    HG3  LYS  47           HG1      LYS  47   9.737   0.532   4.207
  345    HD2  LYS  47           HD2      LYS  47  10.035   2.944   4.308
  346    HD3  LYS  47           HD1      LYS  47   8.476   3.190   3.522
  347    HE2  LYS  47           HE2      LYS  47   8.299   3.535   5.931
  348    HE3  LYS  47           HE1      LYS  47   7.353   2.137   5.429
  349    HZ1  LYS  47           HZ1      LYS  47   9.152   0.709   6.177
  350    HZ2  LYS  47           HZ2      LYS  47   8.561   1.670   7.431
  351    HZ3  LYS  47           HZ3      LYS  47  10.036   2.060   6.693
  352    HA   PRO  48           HA       PRO  48  13.224  -2.641   2.229
  353    HB2  PRO  48           HB2      PRO  48  15.461  -1.326   1.452
  354    HB3  PRO  48           HB1      PRO  48  14.452  -2.223   0.296
  355    HG2  PRO  48           HG2      PRO  48  14.550   0.702   0.807
  356    HG3  PRO  48           HG1      PRO  48  14.417  -0.175  -0.732
  357    HD2  PRO  48           HD2      PRO  48  12.260   0.945   0.477
  358    HD3  PRO  48           HD1      PRO  48  12.173  -0.523  -0.515
  359    H    CYS  49           HN       CYS  49  13.478  -2.731   4.224
  360    HA   CYS  49           HA       CYS  49  14.922  -0.633   5.674
  361    HB2  CYS  49           HB2      CYS  49  13.808  -1.894   7.675
  362    HB3  CYS  49           HB1      CYS  49  12.834  -0.755   6.756
  363    HA   PRO  50           HA       PRO  50  18.146  -3.619   6.121
  364    HB2  PRO  50           HB2      PRO  50  18.104  -3.383   9.082
  365    HB3  PRO  50           HB1      PRO  50  19.430  -3.018   7.956
  366    HG2  PRO  50           HG2      PRO  50  18.149  -1.060   9.174
  367    HG3  PRO  50           HG1      PRO  50  18.655  -0.911   7.477
  368    HD2  PRO  50           HD2      PRO  50  15.939  -1.488   8.573
  369    HD3  PRO  50           HD1      PRO  50  16.416  -0.425   7.234
  Start of MODEL    9
    1    H1   ARG   1           HT1      ARG   1  15.343  -5.022   4.484
    2    H2   ARG   1           HT2      ARG   1  15.584  -6.396   3.543
    3    H3   ARG   1           HT3      ARG   1  15.903  -6.366   5.221
    4    HA   ARG   1           HA       ARG   1  13.690  -7.417   4.573
    5    HB2  ARG   1           HB2      ARG   1  13.978  -5.184   6.564
    6    HB3  ARG   1           HB1      ARG   1  12.478  -6.082   6.408
    7    HG2  ARG   1           HG2      ARG   1  13.559  -8.116   7.066
    8    HG3  ARG   1           HG1      ARG   1  15.144  -7.338   7.014
    9    HD2  ARG   1           HD2      ARG   1  14.566  -5.902   8.834
   10    HD3  ARG   1           HD1      ARG   1  12.906  -6.464   8.828
   11    HE   ARG   1           HE       ARG   1  13.601  -8.559   9.667
   12   HH11  ARG   1          HH11      ARG   1  16.294  -6.241   9.565
   13   HH12  ARG   1          HH12      ARG   1  17.185  -6.951  10.797
   14   HH21  ARG   1          HH21      ARG   1  14.854  -9.603  11.412
   15   HH22  ARG   1          HH22      ARG   1  16.346  -8.928  11.882
   16    H    MET   2           HN       MET   2  11.628  -7.175   3.929
   17    HA   MET   2           HA       MET   2  10.991  -4.751   2.392
   18    HB2  MET   2           HB2      MET   2   9.872  -7.566   2.395
   19    HB3  MET   2           HB1      MET   2   9.174  -6.228   1.490
   20    HG2  MET   2           HG2      MET   2  11.065  -6.035   0.126
   21    HG3  MET   2           HG1      MET   2  12.011  -7.130   1.137
   22    HE1  MET   2           HE1      MET   2   8.517  -8.417  -1.614
   23    HE2  MET   2           HE2      MET   2   9.107  -6.760  -1.477
   24    HE3  MET   2           HE3      MET   2   8.264  -7.512  -0.124
   25    H    CYS   3           HN       CYS   3  10.268  -3.375   3.729
   26    HA   CYS   3           HA       CYS   3   8.553  -4.122   5.905
   27    HB2  CYS   3           HB2      CYS   3   9.869  -1.674   4.940
   28    HB3  CYS   3           HB1      CYS   3   8.451  -1.451   5.975
   29    H    LYS   4           HN       LYS   4   6.520  -4.495   5.595
   30    HA   LYS   4           HA       LYS   4   5.148  -3.262   3.362
   31    HB2  LYS   4           HB2      LYS   4   4.956  -5.743   3.882
   32    HB3  LYS   4           HB1      LYS   4   4.133  -5.301   5.370
   33    HG2  LYS   4           HG2      LYS   4   2.323  -4.312   4.131
   34    HG3  LYS   4           HG1      LYS   4   3.201  -4.552   2.628
   35    HD2  LYS   4           HD2      LYS   4   1.509  -6.223   2.780
   36    HD3  LYS   4           HD1      LYS   4   3.079  -6.973   2.973
   37    HE2  LYS   4           HE2      LYS   4   2.771  -7.095   5.396
   38    HE3  LYS   4           HE1      LYS   4   1.218  -6.273   5.252
   39    HZ1  LYS   4           HZ1      LYS   4   1.040  -8.737   5.465
   40    HZ2  LYS   4           HZ2      LYS   4   1.757  -8.899   3.934
   41    HZ3  LYS   4           HZ3      LYS   4   0.292  -8.136   4.112
   42    H    THR   5           HN       THR   5   4.375  -1.332   3.759
   43    HA   THR   5           HA       THR   5   3.734  -0.468   6.479
   44    HB   THR   5           HB       THR   5   4.393   1.017   3.947
   45    HG1  THR   5           HG1      THR   5   5.963  -0.384   4.954
   46   HG21  THR   5          HG21      THR   5   4.815   2.920   5.409
   47   HG22  THR   5          HG22      THR   5   4.262   1.988   6.818
   48   HG23  THR   5          HG23      THR   5   3.142   2.387   5.496
   49    HA   PRO   6           HA       PRO   6  -0.497  -0.304   4.821
   50    HB2  PRO   6           HB2      PRO   6  -1.333   1.283   7.091
   51    HB3  PRO   6           HB1      PRO   6  -1.677  -0.423   6.729
   52    HG2  PRO   6           HG2      PRO   6  -0.091   0.405   8.801
   53    HG3  PRO   6           HG1      PRO   6  -0.022  -1.195   8.045
   54    HD2  PRO   6           HD2      PRO   6   1.798   1.129   7.676
   55    HD3  PRO   6           HD1      PRO   6   2.139  -0.614   7.643
   56    H    SER   7           HN       SER   7  -0.788   1.022   3.138
   57    HA   SER   7           HA       SER   7   0.092   3.590   2.780
   58    HB2  SER   7           HB2      SER   7  -2.395   2.497   1.541
   59    HB3  SER   7           HB1      SER   7  -1.092   3.435   0.795
   60    HG   SER   7           HG       SER   7   0.026   1.711   0.524
   61    H    GLY   8           HN       GLY   8  -0.825   5.576   3.014
   62    HA2  GLY   8           HA2      GLY   8  -2.979   5.736   4.968
   63    HA3  GLY   8           HA1      GLY   8  -1.850   7.012   4.552
   64    H    LYS   9           HN       LYS   9  -2.388   6.653   1.546
   65    HA   LYS   9           HA       LYS   9  -4.845   8.167   1.802
   66    HB2  LYS   9           HB2      LYS   9  -4.327   9.338  -0.138
   67    HB3  LYS   9           HB1      LYS   9  -3.128   9.517   1.128
   68    HG2  LYS   9           HG2      LYS   9  -1.789   7.865  -0.051
   69    HG3  LYS   9           HG1      LYS   9  -2.906   7.984  -1.413
   70    HD2  LYS   9           HD2      LYS   9  -2.751  10.380  -1.152
   71    HD3  LYS   9           HD1      LYS   9  -1.399  10.061  -0.053
   72    HE2  LYS   9           HE2      LYS   9  -0.469   8.603  -1.773
   73    HE3  LYS   9           HE1      LYS   9  -1.656   9.248  -2.883
   74    HZ1  LYS   9           HZ1      LYS   9  -0.731  11.478  -2.687
   75    HZ2  LYS   9           HZ2      LYS   9   0.637  10.473  -2.928
   76    HZ3  LYS   9           HZ3      LYS   9   0.248  10.992  -1.412
   77    H    PHE  10           HN       PHE  10  -4.007   5.312   1.123
   78    HA   PHE  10           HA       PHE  10  -5.574   4.888  -1.232
   79    HB2  PHE  10           HB2      PHE  10  -3.536   3.518  -0.440
   80    HB3  PHE  10           HB1      PHE  10  -4.701   2.780   0.666
   81    HD1  PHE  10           HD1      PHE  10  -6.490   1.340  -0.155
   82    HD2  PHE  10           HD2      PHE  10  -3.731   3.265  -2.663
   83    HE1  PHE  10           HE1      PHE  10  -7.223  -0.129  -1.990
   84    HE2  PHE  10           HE2      PHE  10  -4.428   1.782  -4.586
   85    HZ   PHE  10           HZ       PHE  10  -6.187   0.091  -4.216
   86    H    LYS  11           HN       LYS  11  -7.582   4.577  -1.189
   87    HA   LYS  11           HA       LYS  11  -8.886   3.141   0.877
   88    HB2  LYS  11           HB2      LYS  11 -10.798   4.930   1.008
   89    HB3  LYS  11           HB1      LYS  11  -9.403   5.072   2.049
   90    HG2  LYS  11           HG2      LYS  11  -9.370   6.509  -0.553
   91    HG3  LYS  11           HG1      LYS  11 -10.402   7.166   0.734
   92    HD2  LYS  11           HD2      LYS  11  -7.423   6.630   0.870
   93    HD3  LYS  11           HD1      LYS  11  -8.167   8.209   0.641
   94    HE2  LYS  11           HE2      LYS  11  -9.231   8.016   2.853
   95    HE3  LYS  11           HE1      LYS  11  -8.477   6.442   3.085
   96    HZ1  LYS  11           HZ1      LYS  11  -7.286   8.253   4.190
   97    HZ2  LYS  11           HZ2      LYS  11  -6.964   8.973   2.694
   98    HZ3  LYS  11           HZ3      LYS  11  -6.311   7.470   3.075
   99    H    GLY  12           HN       GLY  12  -9.669   1.619  -0.240
  100    HA2  GLY  12           HA2      GLY  12 -11.853   1.592  -1.723
  101    HA3  GLY  12           HA1      GLY  12 -10.610   2.010  -2.908
  102    H    TYR  13           HN       TYR  13 -11.299  -0.141  -3.758
  103    HA   TYR  13           HA       TYR  13 -10.347  -2.410  -2.254
  104    HB2  TYR  13           HB2      TYR  13 -11.984  -2.040  -4.664
  105    HB3  TYR  13           HB1      TYR  13 -10.947  -3.459  -4.668
  106    HD1  TYR  13           HD1      TYR  13 -11.145  -5.114  -2.870
  107    HD2  TYR  13           HD2      TYR  13 -13.959  -1.968  -3.318
  108    HE1  TYR  13           HE1      TYR  13 -12.687  -6.353  -1.489
  109    HE2  TYR  13           HE2      TYR  13 -15.564  -3.201  -1.913
  110    HH   TYR  13           HH       TYR  13 -14.725  -5.846  -0.014
  111    H    CYS  14           HN       CYS  14  -8.328  -3.053  -2.264
  112    HA   CYS  14           HA       CYS  14  -6.605  -2.235  -4.438
  113    HB2  CYS  14           HB2      CYS  14  -6.006  -2.242  -1.892
  114    HB3  CYS  14           HB1      CYS  14  -5.759  -3.966  -2.119
  115    H    VAL  15           HN       VAL  15  -8.322  -3.714  -5.533
  116    HA   VAL  15           HA       VAL  15  -7.761  -6.469  -5.714
  117    HB   VAL  15           HB       VAL  15  -8.940  -6.411  -7.951
  118   HG11  VAL  15          HG11      VAL  15 -10.205  -6.829  -5.948
  119   HG12  VAL  15          HG12      VAL  15 -11.147  -5.789  -7.018
  120   HG13  VAL  15          HG13      VAL  15 -10.319  -5.104  -5.619
  121   HG21  VAL  15          HG21      VAL  15  -9.258  -3.470  -7.319
  122   HG22  VAL  15          HG22      VAL  15 -10.077  -4.332  -8.621
  123   HG23  VAL  15          HG23      VAL  15  -8.323  -4.145  -8.652
  124    H    ASN  16           HN       ASN  16  -6.418  -3.724  -7.413
  125    HA   ASN  16           HA       ASN  16  -4.578  -5.546  -8.819
  126    HB2  ASN  16           HB2      ASN  16  -6.035  -4.060 -10.270
  127    HB3  ASN  16           HB1      ASN  16  -5.260  -2.670  -9.530
  128   HD21  ASN  16          HD21      ASN  16  -5.306  -3.337 -12.311
  129   HD22  ASN  16          HD22      ASN  16  -3.688  -3.596 -12.826
  130    H    ASN  17           HN       ASN  17  -2.658  -5.590  -8.069
  131    HA   ASN  17           HA       ASN  17  -1.631  -4.143  -5.924
  132    HB2  ASN  17           HB2      ASN  17  -0.147  -5.629  -8.099
  133    HB3  ASN  17           HB1      ASN  17   0.583  -5.073  -6.601
  134   HD21  ASN  17          HD21      ASN  17   0.229  -7.800  -7.710
  135   HD22  ASN  17          HD22      ASN  17  -0.638  -8.656  -6.480
  136    H    THR  18           HN       THR  18  -1.600  -3.440  -9.297
  137    HA   THR  18           HA       THR  18   0.454  -1.520  -9.229
  138    HB   THR  18           HB       THR  18  -1.701  -2.112 -11.249
  139    HG1  THR  18           HG1      THR  18  -0.345  -3.629 -11.589
  140   HG21  THR  18          HG21      THR  18  -1.019   0.254 -11.509
  141   HG22  THR  18          HG22      THR  18  -0.464  -0.735 -12.854
  142   HG23  THR  18          HG23      THR  18   0.676  -0.244 -11.594
  143    H    ASN  19           HN       ASN  19  -2.951  -1.300  -8.348
  144    HA   ASN  19           HA       ASN  19  -3.120   1.545  -8.662
  145    HB2  ASN  19           HB2      ASN  19  -5.148  -0.011  -8.600
  146    HB3  ASN  19           HB1      ASN  19  -4.780  -0.268  -6.892
  147   HD21  ASN  19          HD21      ASN  19  -6.807   0.579  -6.275
  148   HD22  ASN  19          HD22      ASN  19  -7.087   2.286  -6.341
  149    H    CYS  20           HN       CYS  20  -2.534  -0.814  -6.156
  150    HA   CYS  20           HA       CYS  20  -2.185   0.767  -3.878
  151    HB2  CYS  20           HB2      CYS  20  -2.036  -1.845  -4.194
  152    HB3  CYS  20           HB1      CYS  20  -0.411  -1.489  -4.617
  153    H    LYS  21           HN       LYS  21  -0.006  -0.472  -6.288
  154    HA   LYS  21           HA       LYS  21   2.271   0.295  -5.360
  155    HB2  LYS  21           HB2      LYS  21   1.450  -0.954  -7.585
  156    HB3  LYS  21           HB1      LYS  21   1.941   0.610  -8.249
  157    HG2  LYS  21           HG2      LYS  21   4.171   0.298  -7.667
  158    HG3  LYS  21           HG1      LYS  21   3.757  -1.071  -6.620
  159    HD2  LYS  21           HD2      LYS  21   4.707  -1.833  -8.775
  160    HD3  LYS  21           HD1      LYS  21   3.053  -2.388  -8.532
  161    HE2  LYS  21           HE2      LYS  21   2.313  -0.407  -9.926
  162    HE3  LYS  21           HE1      LYS  21   4.014  -0.145 -10.302
  163    HZ1  LYS  21           HZ1      LYS  21   4.054  -2.431 -11.233
  164    HZ2  LYS  21           HZ2      LYS  21   2.959  -1.419 -12.036
  165    HZ3  LYS  21           HZ3      LYS  21   2.385  -2.553 -10.947
  166    H    ASN  22           HN       ASN  22   0.137   1.965  -7.670
  167    HA   ASN  22           HA       ASN  22   1.678   4.263  -8.136
  168    HB2  ASN  22           HB2      ASN  22  -1.307   3.882  -8.383
  169    HB3  ASN  22           HB1      ASN  22  -0.452   5.321  -8.916
  170   HD21  ASN  22          HD21      ASN  22  -2.005   3.509 -10.488
  171   HD22  ASN  22          HD22      ASN  22  -0.962   2.867 -11.703
  172    H    VAL  23           HN       VAL  23  -0.988   3.709  -5.870
  173    HA   VAL  23           HA       VAL  23  -0.999   6.301  -4.836
  174    HB   VAL  23           HB       VAL  23  -1.819   3.720  -3.471
  175   HG11  VAL  23          HG11      VAL  23  -3.178   5.167  -1.999
  176   HG12  VAL  23          HG12      VAL  23  -2.479   6.578  -2.793
  177   HG13  VAL  23          HG13      VAL  23  -1.452   5.506  -1.843
  178   HG21  VAL  23          HG21      VAL  23  -3.362   5.735  -5.101
  179   HG22  VAL  23          HG22      VAL  23  -4.120   4.551  -4.063
  180   HG23  VAL  23          HG23      VAL  23  -3.141   4.002  -5.441
  181    H    CYS  24           HN       CYS  24   0.683   3.406  -3.693
  182    HA   CYS  24           HA       CYS  24   2.027   4.548  -1.538
  183    HB2  CYS  24           HB2      CYS  24   2.640   2.200  -3.304
  184    HB3  CYS  24           HB1      CYS  24   3.664   2.570  -1.932
  185    H    ARG  25           HN       ARG  25   2.995   4.296  -4.911
  186    HA   ARG  25           HA       ARG  25   5.544   5.416  -4.585
  187    HB2  ARG  25           HB2      ARG  25   3.734   5.305  -6.992
  188    HB3  ARG  25           HB1      ARG  25   5.408   5.849  -7.056
  189    HG2  ARG  25           HG2      ARG  25   6.253   3.736  -6.547
  190    HG3  ARG  25           HG1      ARG  25   4.714   3.178  -5.895
  191    HD2  ARG  25           HD2      ARG  25   4.998   2.117  -7.991
  192    HD3  ARG  25           HD1      ARG  25   3.774   3.375  -8.170
  193    HE   ARG  25           HE       ARG  25   6.540   3.775  -8.899
  194   HH11  ARG  25          HH11      ARG  25   3.094   3.820  -9.867
  195   HH12  ARG  25          HH12      ARG  25   3.344   4.574 -11.343
  196   HH21  ARG  25          HH21      ARG  25   6.896   4.828 -11.025
  197   HH22  ARG  25          HH22      ARG  25   5.578   5.163 -12.045
  198    H    THR  26           HN       THR  26   2.375   6.784  -4.953
  199    HA   THR  26           HA       THR  26   3.365   9.474  -5.259
  200    HB   THR  26           HB       THR  26   0.485   8.627  -4.759
  201    HG1  THR  26           HG1      THR  26   1.359   7.536  -6.612
  202   HG21  THR  26          HG21      THR  26  -0.056  10.682  -5.979
  203   HG22  THR  26          HG22      THR  26   1.658  11.014  -6.209
  204   HG23  THR  26          HG23      THR  26   0.965  11.062  -4.591
  205    H    GLU  27           HN       GLU  27   2.513   7.378  -2.574
  206    HA   GLU  27           HA       GLU  27   2.302   9.524  -0.683
  207    HB2  GLU  27           HB2      GLU  27   2.617   6.530  -0.286
  208    HB3  GLU  27           HB1      GLU  27   2.599   7.655   1.071
  209    HG2  GLU  27           HG2      GLU  27   0.381   8.433   0.313
  210    HG3  GLU  27           HG1      GLU  27   0.444   7.197  -0.941
  211    H    GLY  28           HN       GLY  28   4.823   7.428  -1.797
  212    HA2  GLY  28           HA2      GLY  28   7.009   8.781  -1.867
  213    HA3  GLY  28           HA1      GLY  28   6.755   8.911  -0.129
  214    H    PHE  29           HN       PHE  29   6.035   6.105  -2.094
  215    HA   PHE  29           HA       PHE  29   8.132   4.650  -0.669
  216    HB2  PHE  29           HB2      PHE  29   5.364   3.767  -1.456
  217    HB3  PHE  29           HB1      PHE  29   6.595   2.673  -0.851
  218    HD1  PHE  29           HD1      PHE  29   4.327   5.411  -0.035
  219    HD2  PHE  29           HD2      PHE  29   7.142   2.615   1.463
  220    HE1  PHE  29           HE1      PHE  29   3.537   5.881   2.219
  221    HE2  PHE  29           HE2      PHE  29   6.403   3.042   3.737
  222    HZ   PHE  29           HZ       PHE  29   4.576   4.699   4.154
  223    HA   PRO  30           HA       PRO  30   9.667   3.501  -4.658
  224    HB2  PRO  30           HB2      PRO  30  10.299   0.841  -4.018
  225    HB3  PRO  30           HB1      PRO  30  11.394   2.217  -3.847
  226    HG2  PRO  30           HG2      PRO  30   9.845   0.803  -1.788
  227    HG3  PRO  30           HG1      PRO  30  11.350   1.723  -1.638
  228    HD2  PRO  30           HD2      PRO  30   8.956   2.615  -0.760
  229    HD3  PRO  30           HD1      PRO  30  10.264   3.691  -1.277
  230    H    THR  31           HN       THR  31   7.457   1.224  -2.988
  231    HA   THR  31           HA       THR  31   6.024   0.829  -5.417
  232    HB   THR  31           HB       THR  31   7.903  -0.686  -5.782
  233    HG1  THR  31           HG1      THR  31   6.689  -2.696  -5.892
  234   HG21  THR  31          HG21      THR  31   8.253  -2.648  -4.236
  235   HG22  THR  31          HG22      THR  31   7.146  -1.848  -3.100
  236   HG23  THR  31          HG23      THR  31   8.654  -1.075  -3.543
  237    H    GLY  32           HN       GLY  32   4.390  -1.076  -4.918
  238    HA2  GLY  32           HA2      GLY  32   3.549  -1.242  -2.179
  239    HA3  GLY  32           HA1      GLY  32   2.486  -0.286  -3.219
  240    H    SER  33           HN       SER  33   1.706  -2.648  -1.977
  241    HA   SER  33           HA       SER  33   0.821  -4.146  -4.251
  242    HB2  SER  33           HB2      SER  33   3.107  -5.151  -3.662
  243    HB3  SER  33           HB1      SER  33   2.397  -5.643  -2.139
  244    HG   SER  33           HG       SER  33   2.286  -7.322  -3.661
  245    H    CYS  34           HN       CYS  34  -0.739  -5.923  -3.427
  246    HA   CYS  34           HA       CYS  34  -2.311  -4.545  -1.412
  247    HB2  CYS  34           HB2      CYS  34  -3.161  -6.586  -3.453
  248    HB3  CYS  34           HB1      CYS  34  -4.221  -5.683  -2.378
  249    H    ASP  35           HN       ASP  35  -3.556  -5.768   0.063
  250    HA   ASP  35           HA       ASP  35  -2.569  -8.409   0.825
  251    HB2  ASP  35           HB2      ASP  35  -1.143  -6.768   1.861
  252    HB3  ASP  35           HB1      ASP  35  -2.533  -5.865   2.412
  253    H    PHE  36           HN       PHE  36  -4.093  -9.364   2.415
  254    HA   PHE  36           HA       PHE  36  -6.684  -8.048   2.465
  255    HB2  PHE  36           HB2      PHE  36  -6.601 -10.009   0.828
  256    HB3  PHE  36           HB1      PHE  36  -6.242 -11.042   2.202
  257    HD1  PHE  36           HD1      PHE  36  -8.183  -9.808   4.209
  258    HD2  PHE  36           HD2      PHE  36  -8.644 -10.875   0.122
  259    HE1  PHE  36           HE1      PHE  36 -10.562 -10.133   4.601
  260    HE2  PHE  36           HE2      PHE  36 -11.066 -11.211   0.486
  261    HZ   PHE  36           HZ       PHE  36 -12.034 -10.852   2.725
  262    H    HIS  37           HN       HIS  37  -6.732  -7.451   4.458
  263    HA   HIS  37           HA       HIS  37  -6.413  -9.506   6.523
  264    HB2  HIS  37           HB2      HIS  37  -4.816  -8.264   7.803
  265    HB3  HIS  37           HB1      HIS  37  -4.387  -7.939   6.114
  266    HD1  HIS  37           HD1      HIS  37  -5.624  -6.244   9.136
  267    HD2  HIS  37           HD2      HIS  37  -4.811  -5.368   5.172
  268    HE1  HIS  37           HE1      HIS  37  -5.547  -3.732   8.992
  269    HE2  HIS  37           HE2      HIS  37  -4.402  -3.479   6.795
  270    H    VAL  38           HN       VAL  38  -8.429  -7.659   5.035
  271    HA   VAL  38           HA       VAL  38 -10.073  -6.996   7.264
  272    HB   VAL  38           HB       VAL  38 -10.516  -4.641   6.253
  273   HG11  VAL  38          HG11      VAL  38  -8.660  -3.546   7.435
  274   HG12  VAL  38          HG12      VAL  38  -7.839  -5.096   7.563
  275   HG13  VAL  38          HG13      VAL  38  -9.380  -4.844   8.395
  276   HG21  VAL  38          HG21      VAL  38  -8.680  -3.597   5.010
  277   HG22  VAL  38          HG22      VAL  38  -9.279  -5.011   4.124
  278   HG23  VAL  38          HG23      VAL  38  -7.790  -5.107   5.056
  279    H    ALA  39           HN       ALA  39 -12.238  -6.406   6.497
  280    HA   ALA  39           HA       ALA  39 -13.003  -8.048   4.346
  281    HB1  ALA  39           HB1      ALA  39 -14.637  -5.966   5.814
  282    HB2  ALA  39           HB2      ALA  39 -14.482  -7.662   6.276
  283    HB3  ALA  39           HB3      ALA  39 -15.279  -7.228   4.762
  284    H    GLY  40           HN       GLY  40 -11.790  -7.283   2.739
  285    HA2  GLY  40           HA2      GLY  40 -12.780  -5.946   0.692
  286    HA3  GLY  40           HA1      GLY  40 -12.096  -4.644   1.679
  287    H    ARG  41           HN       ARG  41 -10.330  -4.165   0.420
  288    HA   ARG  41           HA       ARG  41  -8.214  -6.133   0.557
  289    HB2  ARG  41           HB2      ARG  41  -9.110  -4.832  -2.027
  290    HB3  ARG  41           HB1      ARG  41  -7.508  -5.575  -1.774
  291    HG2  ARG  41           HG2      ARG  41  -8.436  -7.579  -1.347
  292    HG3  ARG  41           HG1      ARG  41 -10.134  -7.054  -1.427
  293    HD2  ARG  41           HD2      ARG  41  -9.641  -8.246  -3.437
  294    HD3  ARG  41           HD1      ARG  41  -9.540  -6.543  -3.879
  295    HE   ARG  41           HE       ARG  41  -7.108  -6.755  -3.632
  296   HH11  ARG  41          HH11      ARG  41  -8.925  -9.750  -4.230
  297   HH12  ARG  41          HH12      ARG  41  -7.656 -10.514  -5.060
  298   HH21  ARG  41          HH21      ARG  41  -5.390  -7.787  -4.777
  299   HH22  ARG  41          HH22      ARG  41  -5.564  -9.354  -5.395
  300    H    LYS  42           HN       LYS  42  -6.405  -5.211   1.349
  301    HA   LYS  42           HA       LYS  42  -6.511  -2.320   1.549
  302    HB2  LYS  42           HB2      LYS  42  -6.669  -3.483   3.685
  303    HB3  LYS  42           HB1      LYS  42  -5.262  -4.441   3.348
  304    HG2  LYS  42           HG2      LYS  42  -4.825  -2.663   4.963
  305    HG3  LYS  42           HG1      LYS  42  -3.840  -2.498   3.519
  306    HD2  LYS  42           HD2      LYS  42  -5.261  -0.699   2.716
  307    HD3  LYS  42           HD1      LYS  42  -6.359  -0.918   4.088
  308    HE2  LYS  42           HE2      LYS  42  -4.730  -0.279   5.612
  309    HE3  LYS  42           HE1      LYS  42  -3.432  -0.315   4.422
  310    HZ1  LYS  42           HZ1      LYS  42  -5.684   1.686   4.519
  311    HZ2  LYS  42           HZ2      LYS  42  -4.527   1.595   3.292
  312    HZ3  LYS  42           HZ3      LYS  42  -4.050   2.013   4.808
  313    H    CYS  43           HN       CYS  43  -4.766  -1.145   1.011
  314    HA   CYS  43           HA       CYS  43  -2.730  -2.383  -0.641
  315    HB2  CYS  43           HB2      CYS  43  -3.881  -0.488  -1.549
  316    HB3  CYS  43           HB1      CYS  43  -3.603   0.443  -0.093
  317    H    TYR  44           HN       TYR  44  -0.597  -2.339  -0.120
  318    HA   TYR  44           HA       TYR  44   0.243  -0.964   2.276
  319    HB2  TYR  44           HB2      TYR  44   0.658  -3.831   1.577
  320    HB3  TYR  44           HB1      TYR  44   1.792  -2.945   2.586
  321    HD1  TYR  44           HD1      TYR  44   1.334  -2.525   4.841
  322    HD2  TYR  44           HD2      TYR  44  -1.660  -4.114   2.328
  323    HE1  TYR  44           HE1      TYR  44  -0.009  -3.040   6.811
  324    HE2  TYR  44           HE2      TYR  44  -3.042  -4.639   4.250
  325    HH   TYR  44           HH       TYR  44  -2.391  -5.148   6.745
  326    H    CYS  45           HN       CYS  45   2.145  -0.151   2.132
  327    HA   CYS  45           HA       CYS  45   3.354  -0.036  -0.491
  328    HB2  CYS  45           HB2      CYS  45   3.815   1.618   1.990
  329    HB3  CYS  45           HB1      CYS  45   4.429   1.973   0.415
  330    H    TYR  46           HN       TYR  46   5.433  -0.678  -0.841
  331    HA   TYR  46           HA       TYR  46   6.694  -2.030   1.409
  332    HB2  TYR  46           HB2      TYR  46   6.748  -2.681  -1.504
  333    HB3  TYR  46           HB1      TYR  46   7.957  -3.314  -0.396
  334    HD1  TYR  46           HD1      TYR  46   7.565  -5.349   0.574
  335    HD2  TYR  46           HD2      TYR  46   4.235  -3.088  -0.794
  336    HE1  TYR  46           HE1      TYR  46   6.103  -7.207   1.115
  337    HE2  TYR  46           HE2      TYR  46   2.744  -4.905  -0.251
  338    HH   TYR  46           HH       TYR  46   2.871  -7.372   0.007
  339    H    LYS  47           HN       LYS  47   8.650  -1.628   1.966
  340    HA   LYS  47           HA       LYS  47  10.301   0.037   0.304
  341    HB2  LYS  47           HB2      LYS  47  10.731   1.688   2.117
  342    HB3  LYS  47           HB1      LYS  47   9.088   1.743   1.504
  343    HG2  LYS  47           HG2      LYS  47   8.283   0.575   3.468
  344    HG3  LYS  47           HG1      LYS  47   9.922   0.367   4.068
  345    HD2  LYS  47           HD2      LYS  47  10.151   2.825   4.182
  346    HD3  LYS  47           HD1      LYS  47   8.466   2.979   3.687
  347    HE2  LYS  47           HE2      LYS  47   8.609   3.168   6.093
  348    HE3  LYS  47           HE1      LYS  47   7.809   1.652   5.674
  349    HZ1  LYS  47           HZ1      LYS  47   9.924   0.490   6.067
  350    HZ2  LYS  47           HZ2      LYS  47   9.433   1.321   7.440
  351    HZ3  LYS  47           HZ3      LYS  47  10.662   1.946   6.471
  352    HA   PRO  48           HA       PRO  48  13.299  -2.595   2.197
  353    HB2  PRO  48           HB2      PRO  48  15.557  -1.237   1.626
  354    HB3  PRO  48           HB1      PRO  48  14.623  -2.056   0.355
  355    HG2  PRO  48           HG2      PRO  48  14.693   0.827   1.052
  356    HG3  PRO  48           HG1      PRO  48  14.642   0.049  -0.543
  357    HD2  PRO  48           HD2      PRO  48  12.435   1.108   0.656
  358    HD3  PRO  48           HD1      PRO  48  12.387  -0.246  -0.489
  359    H    CYS  49           HN       CYS  49  13.522  -2.802   4.172
  360    HA   CYS  49           HA       CYS  49  14.752  -0.722   5.862
  361    HB2  CYS  49           HB2      CYS  49  12.929  -3.056   6.522
  362    HB3  CYS  49           HB1      CYS  49  13.699  -2.030   7.748
  363    HA   PRO  50           HA       PRO  50  18.140  -3.632   6.123
  364    HB2  PRO  50           HB2      PRO  50  18.125  -3.567   9.084
  365    HB3  PRO  50           HB1      PRO  50  19.398  -3.021   7.972
  366    HG2  PRO  50           HG2      PRO  50  17.979  -1.270   9.362
  367    HG3  PRO  50           HG1      PRO  50  18.487  -0.938   7.693
  368    HD2  PRO  50           HD2      PRO  50  15.811  -1.801   8.698
  369    HD3  PRO  50           HD1      PRO  50  16.218  -0.588   7.466
  Start of MODEL   10
    1    H1   ARG   1           HT1      ARG   1  15.620  -6.620   5.368
    2    H2   ARG   1           HT2      ARG   1  15.098  -5.198   4.763
    3    H3   ARG   1           HT3      ARG   1  15.155  -6.525   3.732
    4    HA   ARG   1           HA       ARG   1  13.313  -7.516   4.919
    5    HB2  ARG   1           HB2      ARG   1  13.707  -5.163   6.753
    6    HB3  ARG   1           HB1      ARG   1  12.204  -6.066   6.708
    7    HG2  ARG   1           HG2      ARG   1  13.300  -8.048   7.479
    8    HG3  ARG   1           HG1      ARG   1  14.886  -7.286   7.316
    9    HD2  ARG   1           HD2      ARG   1  14.375  -5.710   9.036
   10    HD3  ARG   1           HD1      ARG   1  12.714  -6.263   9.129
   11    HE   ARG   1           HE       ARG   1  13.440  -8.304  10.093
   12   HH11  ARG   1          HH11      ARG   1  16.109  -5.987   9.768
   13   HH12  ARG   1          HH12      ARG   1  17.018  -6.579  11.049
   14   HH21  ARG   1          HH21      ARG   1  14.713  -9.186  11.908
   15   HH22  ARG   1          HH22      ARG   1  16.205  -8.463  12.304
   16    H    MET   2           HN       MET   2  11.163  -7.128   4.433
   17    HA   MET   2           HA       MET   2  10.673  -4.747   2.783
   18    HB2  MET   2           HB2      MET   2   9.334  -7.448   2.892
   19    HB3  MET   2           HB1      MET   2   8.683  -6.074   2.012
   20    HG2  MET   2           HG2      MET   2  10.665  -6.006   0.629
   21    HG3  MET   2           HG1      MET   2  11.345  -7.358   1.527
   22    HE1  MET   2           HE1      MET   2   8.663  -9.196   1.889
   23    HE2  MET   2           HE2      MET   2  10.245  -9.842   1.454
   24    HE3  MET   2           HE3      MET   2   8.830 -10.251   0.485
   25    H    CYS   3           HN       CYS   3   9.940  -3.277   3.888
   26    HA   CYS   3           HA       CYS   3   8.293  -3.766   6.208
   27    HB2  CYS   3           HB2      CYS   3   9.682  -1.469   5.009
   28    HB3  CYS   3           HB1      CYS   3   8.296  -1.090   6.040
   29    H    LYS   4           HN       LYS   4   6.237  -4.059   5.999
   30    HA   LYS   4           HA       LYS   4   4.855  -3.009   3.672
   31    HB2  LYS   4           HB2      LYS   4   4.690  -5.453   4.425
   32    HB3  LYS   4           HB1      LYS   4   3.806  -4.870   5.828
   33    HG2  LYS   4           HG2      LYS   4   2.040  -4.036   4.429
   34    HG3  LYS   4           HG1      LYS   4   2.985  -4.383   2.994
   35    HD2  LYS   4           HD2      LYS   4   1.336  -6.079   3.176
   36    HD3  LYS   4           HD1      LYS   4   2.888  -6.789   3.555
   37    HE2  LYS   4           HE2      LYS   4   2.384  -6.678   5.952
   38    HE3  LYS   4           HE1      LYS   4   0.822  -5.939   5.590
   39    HZ1  LYS   4           HZ1      LYS   4   0.628  -8.360   5.986
   40    HZ2  LYS   4           HZ2      LYS   4   1.620  -8.659   4.645
   41    HZ3  LYS   4           HZ3      LYS   4   0.137  -7.959   4.444
   42    H    THR   5           HN       THR   5   4.089  -1.037   3.935
   43    HA   THR   5           HA       THR   5   3.376  -0.009   6.590
   44    HB   THR   5           HB       THR   5   4.251   1.303   4.030
   45    HG1  THR   5           HG1      THR   5   5.583  -0.036   5.620
   46   HG21  THR   5          HG21      THR   5   2.862   2.797   5.334
   47   HG22  THR   5          HG22      THR   5   4.541   3.322   5.351
   48   HG23  THR   5          HG23      THR   5   3.854   2.517   6.780
   49    HA   PRO   6           HA       PRO   6  -0.814   0.151   4.797
   50    HB2  PRO   6           HB2      PRO   6  -1.747   1.843   6.925
   51    HB3  PRO   6           HB1      PRO   6  -2.002   0.106   6.713
   52    HG2  PRO   6           HG2      PRO   6  -0.475   1.229   8.714
   53    HG3  PRO   6           HG1      PRO   6  -0.417  -0.460   8.183
   54    HD2  PRO   6           HD2      PRO   6   1.474   1.748   7.599
   55    HD3  PRO   6           HD1      PRO   6   1.751  -0.001   7.716
   56    H    SER   7           HN       SER   7  -1.182   1.391   3.070
   57    HA   SER   7           HA       SER   7  -0.324   3.978   2.613
   58    HB2  SER   7           HB2      SER   7  -2.722   2.648   1.420
   59    HB3  SER   7           HB1      SER   7  -1.577   3.735   0.630
   60    HG   SER   7           HG       SER   7  -0.118   2.196   0.543
   61    H    GLY   8           HN       GLY   8  -1.456   5.963   2.611
   62    HA2  GLY   8           HA2      GLY   8  -3.756   5.984   4.445
   63    HA3  GLY   8           HA1      GLY   8  -2.553   7.256   4.337
   64    H    LYS   9           HN       LYS   9  -2.651   7.057   1.281
   65    HA   LYS   9           HA       LYS   9  -5.088   8.715   1.063
   66    HB2  LYS   9           HB2      LYS   9  -4.065   9.873  -0.615
   67    HB3  LYS   9           HB1      LYS   9  -3.055   9.877   0.827
   68    HG2  LYS   9           HG2      LYS   9  -1.658   8.220  -0.159
   69    HG3  LYS   9           HG1      LYS   9  -2.621   8.219  -1.634
   70    HD2  LYS   9           HD2      LYS   9  -2.428  10.679  -1.368
   71    HD3  LYS   9           HD1      LYS   9  -0.969  10.279  -0.438
   72    HE2  LYS   9           HE2      LYS   9  -0.398   8.693  -2.301
   73    HE3  LYS   9           HE1      LYS   9  -1.655   9.487  -3.214
   74    HZ1  LYS   9           HZ1      LYS   9   0.764  10.851  -2.131
   75    HZ2  LYS   9           HZ2      LYS   9  -0.478  11.630  -2.969
   76    HZ3  LYS   9           HZ3      LYS   9   0.508  10.502  -3.753
   77    H    PHE  10           HN       PHE  10  -4.540   5.841   0.685
   78    HA   PHE  10           HA       PHE  10  -4.897   5.251  -2.053
   79    HB2  PHE  10           HB2      PHE  10  -3.915   3.703  -0.380
   80    HB3  PHE  10           HB1      PHE  10  -5.526   3.479   0.297
   81    HD1  PHE  10           HD1      PHE  10  -6.849   1.764  -0.552
   82    HD2  PHE  10           HD2      PHE  10  -3.739   3.461  -2.822
   83    HE1  PHE  10           HE1      PHE  10  -7.301   0.118  -2.319
   84    HE2  PHE  10           HE2      PHE  10  -4.155   1.792  -4.653
   85    HZ   PHE  10           HZ       PHE  10  -5.947   0.131  -4.375
   86    H    LYS  11           HN       LYS  11  -6.547   4.732  -3.193
   87    HA   LYS  11           HA       LYS  11  -9.187   5.102  -2.089
   88    HB2  LYS  11           HB2      LYS  11  -9.667   6.322  -4.389
   89    HB3  LYS  11           HB1      LYS  11  -9.029   7.214  -3.016
   90    HG2  LYS  11           HG2      LYS  11  -7.921   7.908  -5.029
   91    HG3  LYS  11           HG1      LYS  11  -6.774   7.033  -4.025
   92    HD2  LYS  11           HD2      LYS  11  -7.082   5.046  -5.419
   93    HD3  LYS  11           HD1      LYS  11  -8.250   5.915  -6.409
   94    HE2  LYS  11           HE2      LYS  11  -6.538   7.522  -7.012
   95    HE3  LYS  11           HE1      LYS  11  -5.365   6.657  -6.017
   96    HZ1  LYS  11           HZ1      LYS  11  -6.745   5.557  -8.420
   97    HZ2  LYS  11           HZ2      LYS  11  -5.642   4.703  -7.477
   98    HZ3  LYS  11           HZ3      LYS  11  -5.131   6.045  -8.355
   99    H    GLY  12           HN       GLY  12 -10.652   3.712  -2.736
  100    HA2  GLY  12           HA2      GLY  12 -11.784   2.339  -4.276
  101    HA3  GLY  12           HA1      GLY  12 -10.323   2.267  -5.248
  102    H    TYR  13           HN       TYR  13 -11.506  -0.048  -4.932
  103    HA   TYR  13           HA       TYR  13 -10.581  -1.479  -2.654
  104    HB2  TYR  13           HB2      TYR  13 -12.389  -1.907  -4.793
  105    HB3  TYR  13           HB1      TYR  13 -11.186  -3.194  -4.853
  106    HD1  TYR  13           HD1      TYR  13 -11.115  -4.887  -3.196
  107    HD2  TYR  13           HD2      TYR  13 -13.728  -1.571  -2.761
  108    HE1  TYR  13           HE1      TYR  13 -12.225  -6.022  -1.347
  109    HE2  TYR  13           HE2      TYR  13 -14.858  -2.675  -0.921
  110    HH   TYR  13           HH       TYR  13 -15.187  -4.972  -0.022
  111    H    CYS  14           HN       CYS  14  -8.680  -2.494  -2.428
  112    HA   CYS  14           HA       CYS  14  -6.745  -2.122  -4.526
  113    HB2  CYS  14           HB2      CYS  14  -6.391  -1.888  -1.916
  114    HB3  CYS  14           HB1      CYS  14  -6.108  -3.618  -1.996
  115    H    VAL  15           HN       VAL  15  -8.219  -3.579  -5.792
  116    HA   VAL  15           HA       VAL  15  -7.547  -6.385  -5.485
  117    HB   VAL  15           HB       VAL  15  -8.907  -6.762  -7.549
  118   HG11  VAL  15          HG11      VAL  15 -11.085  -6.182  -6.560
  119   HG12  VAL  15          HG12      VAL  15 -10.262  -5.136  -5.401
  120   HG13  VAL  15          HG13      VAL  15  -9.977  -6.875  -5.375
  121   HG21  VAL  15          HG21      VAL  15  -8.513  -4.616  -8.672
  122   HG22  VAL  15          HG22      VAL  15  -9.416  -3.780  -7.408
  123   HG23  VAL  15          HG23      VAL  15 -10.241  -4.911  -8.480
  124    H    ASN  16           HN       ASN  16  -6.458  -3.649  -7.194
  125    HA   ASN  16           HA       ASN  16  -4.610  -5.317  -8.748
  126    HB2  ASN  16           HB2      ASN  16  -6.025  -4.104 -10.288
  127    HB3  ASN  16           HB1      ASN  16  -5.782  -2.603  -9.411
  128   HD21  ASN  16          HD21      ASN  16  -5.127  -1.624 -11.355
  129   HD22  ASN  16          HD22      ASN  16  -3.569  -1.894 -12.039
  130    H    ASN  17           HN       ASN  17  -2.744  -5.360  -8.021
  131    HA   ASN  17           HA       ASN  17  -1.688  -3.881  -5.912
  132    HB2  ASN  17           HB2      ASN  17  -0.273  -5.513  -8.024
  133    HB3  ASN  17           HB1      ASN  17   0.524  -4.851  -6.605
  134   HD21  ASN  17          HD21      ASN  17   0.025  -7.645  -7.522
  135   HD22  ASN  17          HD22      ASN  17  -0.775  -8.393  -6.188
  136    H    THR  18           HN       THR  18  -1.553  -3.274  -9.352
  137    HA   THR  18           HA       THR  18   0.565  -1.425  -9.365
  138    HB   THR  18           HB       THR  18  -1.801  -1.536 -11.252
  139    HG1  THR  18           HG1      THR  18  -1.114  -3.521 -11.613
  140   HG21  THR  18          HG21      THR  18  -0.219   0.343 -11.584
  141   HG22  THR  18          HG22      THR  18  -0.130  -0.814 -12.911
  142   HG23  THR  18          HG23      THR  18   1.116  -0.805 -11.663
  143    H    ASN  19           HN       ASN  19  -2.883  -1.097  -8.468
  144    HA   ASN  19           HA       ASN  19  -3.025   1.763  -8.774
  145    HB2  ASN  19           HB2      ASN  19  -5.100   0.314  -8.760
  146    HB3  ASN  19           HB1      ASN  19  -4.734  -0.094  -7.086
  147   HD21  ASN  19          HD21      ASN  19  -6.742   0.675  -6.438
  148   HD22  ASN  19          HD22      ASN  19  -7.092   2.338  -6.244
  149    H    CYS  20           HN       CYS  20  -2.619  -0.558  -6.191
  150    HA   CYS  20           HA       CYS  20  -2.266   1.052  -3.929
  151    HB2  CYS  20           HB2      CYS  20  -2.227  -1.599  -4.296
  152    HB3  CYS  20           HB1      CYS  20  -0.560  -1.294  -4.518
  153    H    LYS  21           HN       LYS  21  -0.121  -0.273  -6.300
  154    HA   LYS  21           HA       LYS  21   2.220   0.293  -5.328
  155    HB2  LYS  21           HB2      LYS  21   1.283  -0.805  -7.593
  156    HB3  LYS  21           HB1      LYS  21   1.934   0.722  -8.191
  157    HG2  LYS  21           HG2      LYS  21   4.100   0.182  -7.549
  158    HG3  LYS  21           HG1      LYS  21   3.535  -1.261  -6.683
  159    HD2  LYS  21           HD2      LYS  21   2.749  -2.269  -8.689
  160    HD3  LYS  21           HD1      LYS  21   3.052  -0.800  -9.613
  161    HE2  LYS  21           HE2      LYS  21   4.712  -2.417 -10.069
  162    HE3  LYS  21           HE1      LYS  21   5.376  -1.024  -9.187
  163    HZ1  LYS  21           HZ1      LYS  21   4.687  -3.660  -7.963
  164    HZ2  LYS  21           HZ2      LYS  21   5.418  -2.373  -7.148
  165    HZ3  LYS  21           HZ3      LYS  21   6.252  -3.187  -8.362
  166    H    ASN  22           HN       ASN  22   0.332   2.082  -7.753
  167    HA   ASN  22           HA       ASN  22   2.045   4.272  -8.094
  168    HB2  ASN  22           HB2      ASN  22  -0.903   4.038  -8.649
  169    HB3  ASN  22           HB1      ASN  22   0.072   5.421  -9.116
  170   HD21  ASN  22          HD21      ASN  22  -1.344   3.599 -10.860
  171   HD22  ASN  22          HD22      ASN  22  -0.157   2.892 -11.895
  172    H    VAL  23           HN       VAL  23  -0.717   3.816  -5.967
  173    HA   VAL  23           HA       VAL  23  -0.771   6.465  -5.047
  174    HB   VAL  23           HB       VAL  23  -1.669   3.931  -3.625
  175   HG11  VAL  23          HG11      VAL  23  -2.960   5.387  -2.178
  176   HG12  VAL  23          HG12      VAL  23  -2.378   6.799  -3.053
  177   HG13  VAL  23          HG13      VAL  23  -1.257   5.841  -2.088
  178   HG21  VAL  23          HG21      VAL  23  -3.899   4.633  -4.394
  179   HG22  VAL  23          HG22      VAL  23  -2.798   4.318  -5.743
  180   HG23  VAL  23          HG23      VAL  23  -3.155   5.982  -5.256
  181    H    CYS  24           HN       CYS  24   0.742   3.577  -3.669
  182    HA   CYS  24           HA       CYS  24   2.086   4.771  -1.564
  183    HB2  CYS  24           HB2      CYS  24   2.666   2.332  -3.223
  184    HB3  CYS  24           HB1      CYS  24   3.626   2.705  -1.807
  185    H    ARG  25           HN       ARG  25   3.079   4.344  -4.913
  186    HA   ARG  25           HA       ARG  25   5.686   5.325  -4.618
  187    HB2  ARG  25           HB2      ARG  25   3.896   5.280  -7.042
  188    HB3  ARG  25           HB1      ARG  25   5.607   5.691  -7.095
  189    HG2  ARG  25           HG2      ARG  25   6.268   3.529  -6.441
  190    HG3  ARG  25           HG1      ARG  25   4.637   3.107  -5.921
  191    HD2  ARG  25           HD2      ARG  25   4.959   1.990  -7.952
  192    HD3  ARG  25           HD1      ARG  25   3.950   3.405  -8.304
  193    HE   ARG  25           HE       ARG  25   6.788   3.559  -8.627
  194   HH11  ARG  25          HH11      ARG  25   3.590   3.454 -10.251
  195   HH12  ARG  25          HH12      ARG  25   4.171   3.891 -11.760
  196   HH21  ARG  25          HH21      ARG  25   7.594   4.173 -10.798
  197   HH22  ARG  25          HH22      ARG  25   6.515   4.307 -12.104
  198    H    THR  26           HN       THR  26   2.619   6.903  -5.101
  199    HA   THR  26           HA       THR  26   3.835   9.504  -5.410
  200    HB   THR  26           HB       THR  26   0.871   8.953  -5.017
  201    HG1  THR  26           HG1      THR  26   1.793   7.687  -6.795
  202   HG21  THR  26          HG21      THR  26   2.348  11.120  -6.531
  203   HG22  THR  26          HG22      THR  26   1.617  11.321  -4.943
  204   HG23  THR  26          HG23      THR  26   0.598  10.988  -6.346
  205    H    GLU  27           HN       GLU  27   2.806   7.528  -2.729
  206    HA   GLU  27           HA       GLU  27   2.631   9.735  -0.885
  207    HB2  GLU  27           HB2      GLU  27   2.855   6.743  -0.360
  208    HB3  GLU  27           HB1      GLU  27   2.616   7.951   0.900
  209    HG2  GLU  27           HG2      GLU  27   0.523   8.600  -0.122
  210    HG3  GLU  27           HG1      GLU  27   0.774   7.403  -1.392
  211    H    GLY  28           HN       GLY  28   5.017   7.374  -1.822
  212    HA2  GLY  28           HA2      GLY  28   7.294   8.612  -1.904
  213    HA3  GLY  28           HA1      GLY  28   7.027   8.751  -0.171
  214    H    PHE  29           HN       PHE  29   6.244   6.017  -2.261
  215    HA   PHE  29           HA       PHE  29   8.217   4.423  -0.796
  216    HB2  PHE  29           HB2      PHE  29   5.409   3.653  -1.565
  217    HB3  PHE  29           HB1      PHE  29   6.592   2.550  -0.881
  218    HD1  PHE  29           HD1      PHE  29   4.387   5.374  -0.245
  219    HD2  PHE  29           HD2      PHE  29   7.117   2.608   1.439
  220    HE1  PHE  29           HE1      PHE  29   3.590   6.003   1.965
  221    HE2  PHE  29           HE2      PHE  29   6.373   3.188   3.676
  222    HZ   PHE  29           HZ       PHE  29   4.582   4.916   3.978
  223    HA   PRO  30           HA       PRO  30   9.557   3.102  -4.811
  224    HB2  PRO  30           HB2      PRO  30  10.155   0.460  -4.145
  225    HB3  PRO  30           HB1      PRO  30  11.271   1.818  -3.956
  226    HG2  PRO  30           HG2      PRO  30   9.640   0.447  -1.914
  227    HG3  PRO  30           HG1      PRO  30  11.203   1.266  -1.755
  228    HD2  PRO  30           HD2      PRO  30   8.884   2.315  -0.873
  229    HD3  PRO  30           HD1      PRO  30  10.249   3.306  -1.412
  230    H    THR  31           HN       THR  31   7.276   1.034  -2.995
  231    HA   THR  31           HA       THR  31   5.786   0.581  -5.378
  232    HB   THR  31           HB       THR  31   7.498  -1.094  -5.722
  233    HG1  THR  31           HG1      THR  31   5.603  -2.817  -4.735
  234   HG21  THR  31          HG21      THR  31   8.398  -1.333  -3.518
  235   HG22  THR  31          HG22      THR  31   7.845  -2.943  -4.018
  236   HG23  THR  31          HG23      THR  31   6.880  -1.961  -2.907
  237    H    GLY  32           HN       GLY  32   3.929  -1.012  -4.819
  238    HA2  GLY  32           HA2      GLY  32   3.155  -1.008  -2.079
  239    HA3  GLY  32           HA1      GLY  32   2.132  -0.073  -3.190
  240    H    SER  33           HN       SER  33   1.330  -2.369  -1.854
  241    HA   SER  33           HA       SER  33   0.513  -4.017  -4.040
  242    HB2  SER  33           HB2      SER  33   2.509  -4.875  -2.033
  243    HB3  SER  33           HB1      SER  33   1.497  -6.131  -2.766
  244    HG   SER  33           HG       SER  33   2.664  -4.242  -4.395
  245    H    CYS  34           HN       CYS  34  -1.158  -5.586  -3.380
  246    HA   CYS  34           HA       CYS  34  -2.744  -4.350  -1.294
  247    HB2  CYS  34           HB2      CYS  34  -3.527  -6.258  -3.481
  248    HB3  CYS  34           HB1      CYS  34  -4.616  -5.395  -2.405
  249    H    ASP  35           HN       ASP  35  -3.394  -5.396   0.434
  250    HA   ASP  35           HA       ASP  35  -2.448  -8.143   0.890
  251    HB2  ASP  35           HB2      ASP  35  -1.152  -6.424   1.940
  252    HB3  ASP  35           HB1      ASP  35  -2.620  -5.717   2.597
  253    H    PHE  36           HN       PHE  36  -3.748  -9.320   2.446
  254    HA   PHE  36           HA       PHE  36  -6.487  -8.358   2.612
  255    HB2  PHE  36           HB2      PHE  36  -6.134 -10.328   1.039
  256    HB3  PHE  36           HB1      PHE  36  -5.570 -11.247   2.421
  257    HD1  PHE  36           HD1      PHE  36  -7.622 -10.420   4.473
  258    HD2  PHE  36           HD2      PHE  36  -8.027 -11.451   0.372
  259    HE1  PHE  36           HE1      PHE  36  -9.904 -11.181   4.915
  260    HE2  PHE  36           HE2      PHE  36 -10.337 -12.214   0.790
  261    HZ   PHE  36           HZ       PHE  36 -11.278 -12.094   3.064
  262    H    HIS  37           HN       HIS  37  -6.592  -7.747   4.667
  263    HA   HIS  37           HA       HIS  37  -5.840  -9.706   6.710
  264    HB2  HIS  37           HB2      HIS  37  -4.470  -8.173   7.989
  265    HB3  HIS  37           HB1      HIS  37  -4.076  -7.895   6.288
  266    HD1  HIS  37           HD1      HIS  37  -5.676  -6.185   9.155
  267    HD2  HIS  37           HD2      HIS  37  -4.636  -5.527   5.218
  268    HE1  HIS  37           HE1      HIS  37  -5.712  -3.652   8.835
  269    HE2  HIS  37           HE2      HIS  37  -4.441  -3.501   6.731
  270    H    VAL  38           HN       VAL  38  -8.206  -8.335   5.343
  271    HA   VAL  38           HA       VAL  38  -9.934  -8.038   7.577
  272    HB   VAL  38           HB       VAL  38 -10.797  -5.778   6.707
  273   HG11  VAL  38          HG11      VAL  38  -9.564  -5.853   8.799
  274   HG12  VAL  38          HG12      VAL  38  -9.175  -4.384   7.899
  275   HG13  VAL  38          HG13      VAL  38  -8.039  -5.737   7.920
  276   HG21  VAL  38          HG21      VAL  38  -9.689  -5.768   4.535
  277   HG22  VAL  38          HG22      VAL  38  -8.121  -5.762   5.309
  278   HG23  VAL  38          HG23      VAL  38  -9.172  -4.350   5.458
  279    H    ALA  39           HN       ALA  39 -12.177  -7.688   6.661
  280    HA   ALA  39           HA       ALA  39 -12.506  -9.268   4.333
  281    HB1  ALA  39           HB1      ALA  39 -14.917  -8.818   4.608
  282    HB2  ALA  39           HB2      ALA  39 -14.546  -7.601   5.830
  283    HB3  ALA  39           HB3      ALA  39 -14.182  -9.299   6.139
  284    H    GLY  40           HN       GLY  40 -11.235  -8.119   2.944
  285    HA2  GLY  40           HA2      GLY  40 -12.201  -6.772   0.897
  286    HA3  GLY  40           HA1      GLY  40 -11.950  -5.471   2.072
  287    H    ARG  41           HN       ARG  41 -10.316  -4.668   0.605
  288    HA   ARG  41           HA       ARG  41  -7.815  -6.191   0.788
  289    HB2  ARG  41           HB2      ARG  41  -8.729  -4.266  -1.315
  290    HB3  ARG  41           HB1      ARG  41  -7.252  -5.233  -1.297
  291    HG2  ARG  41           HG2      ARG  41  -9.994  -6.397  -1.296
  292    HG3  ARG  41           HG1      ARG  41  -9.170  -6.000  -2.750
  293    HD2  ARG  41           HD2      ARG  41  -8.110  -7.891  -0.620
  294    HD3  ARG  41           HD1      ARG  41  -8.886  -8.405  -2.116
  295    HE   ARG  41           HE       ARG  41  -6.925  -6.893  -3.055
  296   HH11  ARG  41          HH11      ARG  41  -6.759  -9.352  -0.519
  297   HH12  ARG  41          HH12      ARG  41  -5.208  -9.916  -0.928
  298   HH21  ARG  41          HH21      ARG  41  -4.808  -7.714  -3.695
  299   HH22  ARG  41          HH22      ARG  41  -4.044  -8.926  -2.786
  300    H    LYS  42           HN       LYS  42  -6.155  -5.077   1.769
  301    HA   LYS  42           HA       LYS  42  -6.494  -2.194   2.012
  302    HB2  LYS  42           HB2      LYS  42  -6.461  -3.113   4.245
  303    HB3  LYS  42           HB1      LYS  42  -5.121  -4.168   3.886
  304    HG2  LYS  42           HG2      LYS  42  -4.366  -2.334   5.274
  305    HG3  LYS  42           HG1      LYS  42  -3.623  -2.229   3.691
  306    HD2  LYS  42           HD2      LYS  42  -4.158  -0.033   4.205
  307    HD3  LYS  42           HD1      LYS  42  -5.508  -0.526   3.174
  308    HE2  LYS  42           HE2      LYS  42  -6.828  -0.935   5.228
  309    HE3  LYS  42           HE1      LYS  42  -5.421  -0.391   6.155
  310    HZ1  LYS  42           HZ1      LYS  42  -5.571   1.789   5.124
  311    HZ2  LYS  42           HZ2      LYS  42  -7.028   1.433   5.887
  312    HZ3  LYS  42           HZ3      LYS  42  -6.911   1.319   4.212
  313    H    CYS  43           HN       CYS  43  -4.985  -0.941   1.149
  314    HA   CYS  43           HA       CYS  43  -2.925  -2.097  -0.474
  315    HB2  CYS  43           HB2      CYS  43  -4.252  -0.161  -1.204
  316    HB3  CYS  43           HB1      CYS  43  -3.698   0.751   0.183
  317    H    TYR  44           HN       TYR  44  -0.818  -2.215   0.079
  318    HA   TYR  44           HA       TYR  44   0.087  -0.724   2.388
  319    HB2  TYR  44           HB2      TYR  44   0.502  -3.617   1.815
  320    HB3  TYR  44           HB1      TYR  44   1.658  -2.682   2.746
  321    HD1  TYR  44           HD1      TYR  44  -1.601  -4.149   2.681
  322    HD2  TYR  44           HD2      TYR  44   1.102  -1.895   4.966
  323    HE1  TYR  44           HE1      TYR  44  -2.901  -4.660   4.687
  324    HE2  TYR  44           HE2      TYR  44  -0.171  -2.367   7.004
  325    HH   TYR  44           HH       TYR  44  -2.275  -4.782   7.211
  326    H    CYS  45           HN       CYS  45   1.955   0.057   2.201
  327    HA   CYS  45           HA       CYS  45   3.173   0.010  -0.403
  328    HB2  CYS  45           HB2      CYS  45   3.751   1.735   1.999
  329    HB3  CYS  45           HB1      CYS  45   4.297   2.025   0.388
  330    H    TYR  46           HN       TYR  46   5.235  -0.649  -0.714
  331    HA   TYR  46           HA       TYR  46   6.449  -2.002   1.559
  332    HB2  TYR  46           HB2      TYR  46   6.379  -2.765  -1.321
  333    HB3  TYR  46           HB1      TYR  46   7.612  -3.404  -0.243
  334    HD1  TYR  46           HD1      TYR  46   7.173  -5.290   0.984
  335    HD2  TYR  46           HD2      TYR  46   3.873  -3.161  -0.675
  336    HE1  TYR  46           HE1      TYR  46   5.688  -7.082   1.654
  337    HE2  TYR  46           HE2      TYR  46   2.386  -4.877  -0.003
  338    HH   TYR  46           HH       TYR  46   2.532  -7.370   0.461
  339    H    LYS  47           HN       LYS  47   8.410  -1.637   2.061
  340    HA   LYS  47           HA       LYS  47  10.123  -0.170   0.275
  341    HB2  LYS  47           HB2      LYS  47  10.668   1.564   1.971
  342    HB3  LYS  47           HB1      LYS  47   9.025   1.673   1.363
  343    HG2  LYS  47           HG2      LYS  47   8.190   0.643   3.413
  344    HG3  LYS  47           HG1      LYS  47   9.832   0.449   4.013
  345    HD2  LYS  47           HD2      LYS  47  10.112   2.896   3.949
  346    HD3  LYS  47           HD1      LYS  47   8.430   3.056   3.442
  347    HE2  LYS  47           HE2      LYS  47   8.554   3.420   5.821
  348    HE3  LYS  47           HE1      LYS  47   7.754   1.877   5.524
  349    HZ1  LYS  47           HZ1      LYS  47   9.368   1.686   7.315
  350    HZ2  LYS  47           HZ2      LYS  47  10.601   2.235   6.305
  351    HZ3  LYS  47           HZ3      LYS  47   9.888   0.750   6.007
  352    HA   PRO  48           HA       PRO  48  13.022  -2.828   2.264
  353    HB2  PRO  48           HB2      PRO  48  15.324  -1.621   1.526
  354    HB3  PRO  48           HB1      PRO  48  14.324  -2.510   0.359
  355    HG2  PRO  48           HG2      PRO  48  14.538   0.417   0.781
  356    HG3  PRO  48           HG1      PRO  48  14.389  -0.500  -0.730
  357    HD2  PRO  48           HD2      PRO  48  12.277   0.769   0.439
  358    HD3  PRO  48           HD1      PRO  48  12.128  -0.679  -0.573
  359    H    CYS  49           HN       CYS  49  13.243  -2.870   4.256
  360    HA   CYS  49           HA       CYS  49  14.640  -0.738   5.740
  361    HB2  CYS  49           HB2      CYS  49  12.701  -2.897   6.616
  362    HB3  CYS  49           HB1      CYS  49  13.558  -1.836   7.748
  363    HA   PRO  50           HA       PRO  50  17.944  -3.702   6.104
  364    HB2  PRO  50           HB2      PRO  50  18.465  -3.685   8.840
  365    HB3  PRO  50           HB1      PRO  50  19.102  -2.481   7.702
  366    HG2  PRO  50           HG2      PRO  50  16.775  -2.275   9.526
  367    HG3  PRO  50           HG1      PRO  50  17.974  -1.046   9.076
  368    HD2  PRO  50           HD2      PRO  50  15.520  -1.033   8.023
  369    HD3  PRO  50           HD1      PRO  50  16.943  -0.565   7.075
  Start of MODEL   11
    1    H1   ARG   1           HT1      ARG   1  15.682  -6.779   5.148
    2    H2   ARG   1           HT2      ARG   1  15.191  -5.350   4.528
    3    H3   ARG   1           HT3      ARG   1  15.290  -6.672   3.489
    4    HA   ARG   1           HA       ARG   1  13.390  -7.650   4.599
    5    HB2  ARG   1           HB2      ARG   1  13.736  -5.299   6.437
    6    HB3  ARG   1           HB1      ARG   1  12.223  -6.174   6.324
    7    HG2  ARG   1           HG2      ARG   1  13.232  -8.159   7.182
    8    HG3  ARG   1           HG1      ARG   1  14.843  -7.438   7.081
    9    HD2  ARG   1           HD2      ARG   1  14.313  -5.827   8.741
   10    HD3  ARG   1           HD1      ARG   1  12.623  -6.279   8.743
   11    HE   ARG   1           HE       ARG   1  13.172  -8.339   9.785
   12   HH11  ARG   1          HH11      ARG   1  15.964  -6.162   9.613
   13   HH12  ARG   1          HH12      ARG   1  16.740  -6.745  10.983
   14   HH21  ARG   1          HH21      ARG   1  14.250  -9.215  11.733
   15   HH22  ARG   1          HH22      ARG   1  15.736  -8.548  12.230
   16    H    MET   2           HN       MET   2  11.265  -7.227   4.092
   17    HA   MET   2           HA       MET   2  10.794  -4.841   2.437
   18    HB2  MET   2           HB2      MET   2   9.572  -7.606   2.421
   19    HB3  MET   2           HB1      MET   2   8.879  -6.236   1.569
   20    HG2  MET   2           HG2      MET   2  10.819  -6.038   0.199
   21    HG3  MET   2           HG1      MET   2  11.642  -7.304   1.111
   22    HE1  MET   2           HE1      MET   2  10.979  -8.973  -2.399
   23    HE2  MET   2           HE2      MET   2  12.197  -8.569  -1.189
   24    HE3  MET   2           HE3      MET   2  11.386  -7.286  -2.086
   25    H    CYS   3           HN       CYS   3  10.211  -3.467   3.804
   26    HA   CYS   3           HA       CYS   3   8.475  -4.078   5.983
   27    HB2  CYS   3           HB2      CYS   3   9.805  -1.656   4.922
   28    HB3  CYS   3           HB1      CYS   3   8.473  -1.432   6.028
   29    H    LYS   4           HN       LYS   4   6.452  -4.435   5.695
   30    HA   LYS   4           HA       LYS   4   5.042  -3.260   3.455
   31    HB2  LYS   4           HB2      LYS   4   4.899  -5.725   4.066
   32    HB3  LYS   4           HB1      LYS   4   4.059  -5.232   5.530
   33    HG2  LYS   4           HG2      LYS   4   2.257  -4.291   4.213
   34    HG3  LYS   4           HG1      LYS   4   3.139  -4.654   2.738
   35    HD2  LYS   4           HD2      LYS   4   1.472  -6.309   2.993
   36    HD3  LYS   4           HD1      LYS   4   3.031  -7.041   3.310
   37    HE2  LYS   4           HE2      LYS   4   2.652  -6.898   5.731
   38    HE3  LYS   4           HE1      LYS   4   1.091  -6.130   5.447
   39    HZ1  LYS   4           HZ1      LYS   4   1.794  -8.896   4.565
   40    HZ2  LYS   4           HZ2      LYS   4   0.302  -8.159   4.386
   41    HZ3  LYS   4           HZ3      LYS   4   0.842  -8.515   5.905
   42    H    THR   5           HN       THR   5   4.231  -1.335   3.810
   43    HA   THR   5           HA       THR   5   3.536  -0.437   6.509
   44    HB   THR   5           HB       THR   5   4.254   1.016   3.977
   45    HG1  THR   5           HG1      THR   5   5.782  -0.366   5.097
   46   HG21  THR   5          HG21      THR   5   4.039   2.041   6.823
   47   HG22  THR   5          HG22      THR   5   2.939   2.391   5.469
   48   HG23  THR   5          HG23      THR   5   4.606   2.951   5.408
   49    HA   PRO   6           HA       PRO   6  -0.674  -0.336   4.697
   50    HB2  PRO   6           HB2      PRO   6  -1.637   1.176   6.946
   51    HB3  PRO   6           HB1      PRO   6  -1.858  -0.553   6.590
   52    HG2  PRO   6           HG2      PRO   6  -0.376   0.432   8.695
   53    HG3  PRO   6           HG1      PRO   6  -0.269  -1.202   8.022
   54    HD2  PRO   6           HD2      PRO   6   1.559   1.104   7.631
   55    HD3  PRO   6           HD1      PRO   6   1.890  -0.640   7.619
   56    H    SER   7           HN       SER   7  -0.907   0.974   3.045
   57    HA   SER   7           HA       SER   7  -0.014   3.535   2.712
   58    HB2  SER   7           HB2      SER   7  -2.463   2.437   1.414
   59    HB3  SER   7           HB1      SER   7  -1.149   3.388   0.703
   60    HG   SER   7           HG       SER   7   0.017   1.682   0.490
   61    H    GLY   8           HN       GLY   8  -0.903   5.509   2.949
   62    HA2  GLY   8           HA2      GLY   8  -3.122   5.692   4.822
   63    HA3  GLY   8           HA1      GLY   8  -1.981   6.962   4.423
   64    H    LYS   9           HN       LYS   9  -2.454   6.477   1.413
   65    HA   LYS   9           HA       LYS   9  -4.752   8.317   1.400
   66    HB2  LYS   9           HB2      LYS   9  -3.220   7.430  -0.982
   67    HB3  LYS   9           HB1      LYS   9  -4.169   8.889  -0.760
   68    HG2  LYS   9           HG2      LYS   9  -2.291   9.393   1.073
   69    HG3  LYS   9           HG1      LYS   9  -1.508   8.163   0.138
   70    HD2  LYS   9           HD2      LYS   9  -2.777  10.467  -1.092
   71    HD3  LYS   9           HD1      LYS   9  -1.059  10.508  -0.610
   72    HE2  LYS   9           HE2      LYS   9  -0.753   8.441  -2.060
   73    HE3  LYS   9           HE1      LYS   9  -2.410   8.679  -2.606
   74    HZ1  LYS   9           HZ1      LYS   9  -0.235  10.632  -2.924
   75    HZ2  LYS   9           HZ2      LYS   9  -1.803  10.731  -3.604
   76    HZ3  LYS   9           HZ3      LYS   9  -0.720   9.495  -4.072
   77    H    PHE  10           HN       PHE  10  -3.801   5.245   0.776
   78    HA   PHE  10           HA       PHE  10  -5.644   4.574  -1.273
   79    HB2  PHE  10           HB2      PHE  10  -3.537   3.253  -0.548
   80    HB3  PHE  10           HB1      PHE  10  -4.691   2.487   0.558
   81    HD1  PHE  10           HD1      PHE  10  -6.475   1.051  -0.253
   82    HD2  PHE  10           HD2      PHE  10  -3.806   3.044  -2.810
   83    HE1  PHE  10           HE1      PHE  10  -7.244  -0.379  -2.105
   84    HE2  PHE  10           HE2      PHE  10  -4.534   1.617  -4.730
   85    HZ   PHE  10           HZ       PHE  10  -6.274  -0.099  -4.353
   86    H    LYS  11           HN       LYS  11  -7.533   4.557  -1.113
   87    HA   LYS  11           HA       LYS  11  -8.910   3.227   1.049
   88    HB2  LYS  11           HB2      LYS  11 -10.704   5.191   1.033
   89    HB3  LYS  11           HB1      LYS  11  -9.304   5.231   2.078
   90    HG2  LYS  11           HG2      LYS  11  -9.629   7.420   1.122
   91    HG3  LYS  11           HG1      LYS  11  -8.161   6.728   0.463
   92    HD2  LYS  11           HD2      LYS  11  -9.179   7.769  -1.375
   93    HD3  LYS  11           HD1      LYS  11  -9.619   6.078  -1.562
   94    HE2  LYS  11           HE2      LYS  11 -11.394   8.228  -0.376
   95    HE3  LYS  11           HE1      LYS  11 -11.496   7.630  -2.025
   96    HZ1  LYS  11           HZ1      LYS  11 -13.160   6.538  -0.749
   97    HZ2  LYS  11           HZ2      LYS  11 -12.058   6.160   0.474
   98    HZ3  LYS  11           HZ3      LYS  11 -11.919   5.399  -1.028
   99    H    GLY  12           HN       GLY  12  -9.145   1.607  -0.460
  100    HA2  GLY  12           HA2      GLY  12 -11.647   1.443  -1.596
  101    HA3  GLY  12           HA1      GLY  12 -10.505   1.871  -2.872
  102    H    TYR  13           HN       TYR  13 -11.185  -0.309  -3.635
  103    HA   TYR  13           HA       TYR  13 -10.153  -2.566  -2.183
  104    HB2  TYR  13           HB2      TYR  13 -11.822  -2.176  -4.573
  105    HB3  TYR  13           HB1      TYR  13 -10.794  -3.600  -4.579
  106    HD1  TYR  13           HD1      TYR  13 -13.715  -2.006  -3.073
  107    HD2  TYR  13           HD2      TYR  13 -11.084  -5.332  -2.942
  108    HE1  TYR  13           HE1      TYR  13 -15.340  -3.231  -1.683
  109    HE2  TYR  13           HE2      TYR  13 -12.645  -6.565  -1.571
  110    HH   TYR  13           HH       TYR  13 -14.598  -6.028   0.026
  111    H    CYS  14           HN       CYS  14  -8.118  -3.179  -2.260
  112    HA   CYS  14           HA       CYS  14  -6.484  -2.401  -4.505
  113    HB2  CYS  14           HB2      CYS  14  -5.721  -2.409  -2.030
  114    HB3  CYS  14           HB1      CYS  14  -5.580  -4.150  -2.218
  115    H    VAL  15           HN       VAL  15  -8.207  -3.794  -5.595
  116    HA   VAL  15           HA       VAL  15  -7.607  -6.541  -5.892
  117    HB   VAL  15           HB       VAL  15  -8.858  -6.419  -8.083
  118   HG11  VAL  15          HG11      VAL  15 -10.215  -5.189  -5.696
  119   HG12  VAL  15          HG12      VAL  15 -10.063  -6.911  -6.053
  120   HG13  VAL  15          HG13      VAL  15 -11.046  -5.876  -7.089
  121   HG21  VAL  15          HG21      VAL  15  -9.203  -3.504  -7.353
  122   HG22  VAL  15          HG22      VAL  15 -10.038  -4.338  -8.663
  123   HG23  VAL  15          HG23      VAL  15  -8.288  -4.125  -8.727
  124    H    ASN  16           HN       ASN  16  -6.382  -3.651  -7.324
  125    HA   ASN  16           HA       ASN  16  -4.571  -5.185  -9.046
  126    HB2  ASN  16           HB2      ASN  16  -5.974  -3.730 -10.359
  127    HB3  ASN  16           HB1      ASN  16  -5.634  -2.365  -9.304
  128   HD21  ASN  16          HD21      ASN  16  -4.957  -1.146 -11.080
  129   HD22  ASN  16          HD22      ASN  16  -3.445  -1.421 -11.863
  130    H    ASN  17           HN       ASN  17  -2.594  -5.305  -8.378
  131    HA   ASN  17           HA       ASN  17  -1.600  -3.925  -6.123
  132    HB2  ASN  17           HB2      ASN  17  -0.097  -5.554  -8.183
  133    HB3  ASN  17           HB1      ASN  17   0.641  -4.895  -6.733
  134   HD21  ASN  17          HD21      ASN  17  -1.333  -7.402  -8.055
  135   HD22  ASN  17          HD22      ASN  17  -1.504  -8.287  -6.581
  136    H    THR  18           HN       THR  18  -1.383  -3.266  -9.538
  137    HA   THR  18           HA       THR  18   0.704  -1.378  -9.426
  138    HB   THR  18           HB       THR  18  -1.582  -1.565 -11.409
  139    HG1  THR  18           HG1      THR  18  -0.528  -3.263 -12.251
  140   HG21  THR  18          HG21      THR  18   0.087  -0.675 -12.990
  141   HG22  THR  18          HG22      THR  18   1.284  -0.603 -11.697
  142   HG23  THR  18          HG23      THR  18  -0.137   0.440 -11.641
  143    H    ASN  19           HN       ASN  19  -2.726  -1.213  -8.565
  144    HA   ASN  19           HA       ASN  19  -3.023   1.635  -8.809
  145    HB2  ASN  19           HB2      ASN  19  -4.976   0.032  -8.863
  146    HB3  ASN  19           HB1      ASN  19  -4.633  -0.356  -7.179
  147   HD21  ASN  19          HD21      ASN  19  -6.668   0.359  -6.461
  148   HD22  ASN  19          HD22      ASN  19  -7.041   2.045  -6.440
  149    H    CYS  20           HN       CYS  20  -2.540  -0.754  -6.291
  150    HA   CYS  20           HA       CYS  20  -2.240   0.750  -3.969
  151    HB2  CYS  20           HB2      CYS  20  -2.031  -1.851  -4.341
  152    HB3  CYS  20           HB1      CYS  20  -0.421  -1.479  -4.762
  153    H    LYS  21           HN       LYS  21  -0.062  -0.293  -6.407
  154    HA   LYS  21           HA       LYS  21   2.234   0.410  -5.436
  155    HB2  LYS  21           HB2      LYS  21   1.344  -0.683  -7.707
  156    HB3  LYS  21           HB1      LYS  21   1.917   0.874  -8.299
  157    HG2  LYS  21           HG2      LYS  21   4.119   0.417  -7.639
  158    HG3  LYS  21           HG1      LYS  21   3.617  -1.066  -6.804
  159    HD2  LYS  21           HD2      LYS  21   2.840  -2.030  -8.865
  160    HD3  LYS  21           HD1      LYS  21   3.198  -0.542  -9.738
  161    HE2  LYS  21           HE2      LYS  21   4.874  -2.152 -10.163
  162    HE3  LYS  21           HE1      LYS  21   5.499  -0.802  -9.188
  163    HZ1  LYS  21           HZ1      LYS  21   6.292  -3.028  -8.426
  164    HZ2  LYS  21           HZ2      LYS  21   4.701  -3.456  -8.069
  165    HZ3  LYS  21           HZ3      LYS  21   5.453  -2.213  -7.218
  166    H    ASN  22           HN       ASN  22   0.106   2.188  -7.689
  167    HA   ASN  22           HA       ASN  22   1.694   4.482  -8.036
  168    HB2  ASN  22           HB2      ASN  22  -1.278   4.120  -8.427
  169    HB3  ASN  22           HB1      ASN  22  -0.399   5.571  -8.886
  170   HD21  ASN  22          HD21      ASN  22  -1.884   3.779 -10.564
  171   HD22  ASN  22          HD22      ASN  22  -0.774   3.162 -11.740
  172    H    VAL  23           HN       VAL  23  -0.960   3.795  -5.829
  173    HA   VAL  23           HA       VAL  23  -1.019   6.407  -4.708
  174    HB   VAL  23           HB       VAL  23  -1.859   3.800  -3.393
  175   HG11  VAL  23          HG11      VAL  23  -2.646   6.644  -2.864
  176   HG12  VAL  23          HG12      VAL  23  -1.628   5.643  -1.838
  177   HG13  VAL  23          HG13      VAL  23  -3.340   5.240  -2.049
  178   HG21  VAL  23          HG21      VAL  23  -3.437   5.673  -5.174
  179   HG22  VAL  23          HG22      VAL  23  -4.175   4.466  -4.144
  180   HG23  VAL  23          HG23      VAL  23  -3.094   3.957  -5.452
  181    H    CYS  24           HN       CYS  24   0.659   3.461  -3.712
  182    HA   CYS  24           HA       CYS  24   1.976   4.579  -1.509
  183    HB2  CYS  24           HB2      CYS  24   2.601   2.256  -3.306
  184    HB3  CYS  24           HB1      CYS  24   3.622   2.620  -1.928
  185    H    ARG  25           HN       ARG  25   2.879   4.410  -4.892
  186    HA   ARG  25           HA       ARG  25   5.444   5.519  -4.579
  187    HB2  ARG  25           HB2      ARG  25   3.641   5.383  -6.988
  188    HB3  ARG  25           HB1      ARG  25   5.310   5.943  -7.053
  189    HG2  ARG  25           HG2      ARG  25   6.169   3.838  -6.492
  190    HG3  ARG  25           HG1      ARG  25   4.611   3.268  -5.896
  191    HD2  ARG  25           HD2      ARG  25   4.959   2.208  -7.969
  192    HD3  ARG  25           HD1      ARG  25   3.761   3.484  -8.213
  193    HE   ARG  25           HE       ARG  25   6.539   3.991  -8.763
  194   HH11  ARG  25          HH11      ARG  25   3.222   3.633 -10.071
  195   HH12  ARG  25          HH12      ARG  25   3.597   4.164 -11.609
  196   HH21  ARG  25          HH21      ARG  25   7.064   4.756 -10.972
  197   HH22  ARG  25          HH22      ARG  25   5.848   4.827 -12.162
  198    H    THR  26           HN       THR  26   2.288   6.908  -4.803
  199    HA   THR  26           HA       THR  26   3.384   9.541  -5.086
  200    HB   THR  26           HB       THR  26   0.860  10.175  -4.602
  201    HG1  THR  26           HG1      THR  26   0.551   7.562  -5.488
  202   HG21  THR  26          HG21      THR  26   1.763   8.868  -7.144
  203   HG22  THR  26          HG22      THR  26   2.015  10.566  -6.714
  204   HG23  THR  26          HG23      THR  26   0.376   9.951  -6.988
  205    H    GLU  27           HN       GLU  27   1.856   7.743  -2.429
  206    HA   GLU  27           HA       GLU  27   2.215   9.602  -0.411
  207    HB2  GLU  27           HB2      GLU  27   2.559   6.591  -0.287
  208    HB3  GLU  27           HB1      GLU  27   2.546   7.623   1.144
  209    HG2  GLU  27           HG2      GLU  27   0.350   8.421   0.532
  210    HG3  GLU  27           HG1      GLU  27   0.386   7.359  -0.878
  211    H    GLY  28           HN       GLY  28   4.635   7.346  -1.657
  212    HA2  GLY  28           HA2      GLY  28   6.849   8.659  -1.926
  213    HA3  GLY  28           HA1      GLY  28   6.696   8.862  -0.185
  214    H    PHE  29           HN       PHE  29   6.021   6.056  -2.214
  215    HA   PHE  29           HA       PHE  29   8.092   4.573  -0.760
  216    HB2  PHE  29           HB2      PHE  29   5.310   3.683  -1.489
  217    HB3  PHE  29           HB1      PHE  29   6.554   2.606  -0.879
  218    HD1  PHE  29           HD1      PHE  29   7.078   2.548   1.437
  219    HD2  PHE  29           HD2      PHE  29   4.303   5.375  -0.081
  220    HE1  PHE  29           HE1      PHE  29   6.323   3.009   3.714
  221    HE2  PHE  29           HE2      PHE  29   3.526   5.874   2.177
  222    HZ   PHE  29           HZ       PHE  29   4.536   4.691   4.109
  223    HA   PRO  30           HA       PRO  30   9.474   3.356  -4.790
  224    HB2  PRO  30           HB2      PRO  30  10.197   0.734  -4.187
  225    HB3  PRO  30           HB1      PRO  30  11.248   2.136  -3.964
  226    HG2  PRO  30           HG2      PRO  30   9.682   0.638  -1.966
  227    HG3  PRO  30           HG1      PRO  30  11.208   1.519  -1.782
  228    HD2  PRO  30           HD2      PRO  30   8.846   2.451  -0.871
  229    HD3  PRO  30           HD1      PRO  30  10.167   3.511  -1.384
  230    H    THR  31           HN       THR  31   7.335   1.088  -3.011
  231    HA   THR  31           HA       THR  31   5.873   0.659  -5.418
  232    HB   THR  31           HB       THR  31   7.645  -0.933  -5.783
  233    HG1  THR  31           HG1      THR  31   5.843  -2.771  -4.855
  234   HG21  THR  31          HG21      THR  31   8.082  -2.791  -4.136
  235   HG22  THR  31          HG22      THR  31   7.067  -1.899  -2.982
  236   HG23  THR  31          HG23      THR  31   8.546  -1.180  -3.588
  237    H    GLY  32           HN       GLY  32   4.071  -0.968  -4.939
  238    HA2  GLY  32           HA2      GLY  32   3.263  -1.061  -2.207
  239    HA3  GLY  32           HA1      GLY  32   2.220  -0.171  -3.333
  240    H    SER  33           HN       SER  33   1.625  -2.570  -1.988
  241    HA   SER  33           HA       SER  33   0.820  -4.181  -4.200
  242    HB2  SER  33           HB2      SER  33   2.890  -4.990  -2.243
  243    HB3  SER  33           HB1      SER  33   1.940  -6.271  -3.029
  244    HG   SER  33           HG       SER  33   2.939  -4.301  -4.634
  245    H    CYS  34           HN       CYS  34  -0.663  -5.970  -3.407
  246    HA   CYS  34           HA       CYS  34  -2.350  -4.659  -1.460
  247    HB2  CYS  34           HB2      CYS  34  -2.993  -6.912  -3.346
  248    HB3  CYS  34           HB1      CYS  34  -4.134  -5.967  -2.393
  249    H    ASP  35           HN       ASP  35  -3.461  -5.832   0.154
  250    HA   ASP  35           HA       ASP  35  -2.455  -8.442   0.960
  251    HB2  ASP  35           HB2      ASP  35  -0.939  -6.823   1.894
  252    HB3  ASP  35           HB1      ASP  35  -2.286  -5.884   2.501
  253    H    PHE  36           HN       PHE  36  -3.819  -9.312   2.705
  254    HA   PHE  36           HA       PHE  36  -6.440  -8.089   2.794
  255    HB2  PHE  36           HB2      PHE  36  -6.824  -9.982   1.452
  256    HB3  PHE  36           HB1      PHE  36  -5.691 -10.969   2.360
  257    HD1  PHE  36           HD1      PHE  36  -8.625  -8.928   3.616
  258    HD2  PHE  36           HD2      PHE  36  -6.890 -12.782   3.055
  259    HE1  PHE  36           HE1      PHE  36 -10.449  -9.915   4.876
  260    HE2  PHE  36           HE2      PHE  36  -8.745 -13.791   4.339
  261    HZ   PHE  36           HZ       PHE  36 -10.527 -12.358   5.251
  262    H    HIS  37           HN       HIS  37  -6.678  -7.319   4.651
  263    HA   HIS  37           HA       HIS  37  -6.245  -9.021   6.992
  264    HB2  HIS  37           HB2      HIS  37  -4.775  -7.519   8.119
  265    HB3  HIS  37           HB1      HIS  37  -4.316  -7.343   6.419
  266    HD1  HIS  37           HD1      HIS  37  -5.637  -5.436   9.247
  267    HD2  HIS  37           HD2      HIS  37  -5.088  -4.922   5.173
  268    HE1  HIS  37           HE1      HIS  37  -5.829  -2.961   8.828
  269    HE2  HIS  37           HE2      HIS  37  -4.870  -2.803   6.541
  270    H    VAL  38           HN       VAL  38  -8.355  -7.501   5.211
  271    HA   VAL  38           HA       VAL  38 -10.072  -6.635   7.319
  272    HB   VAL  38           HB       VAL  38 -10.616  -4.462   5.986
  273   HG11  VAL  38          HG11      VAL  38  -7.994  -4.613   7.468
  274   HG12  VAL  38          HG12      VAL  38  -9.581  -4.312   8.186
  275   HG13  VAL  38          HG13      VAL  38  -8.858  -3.132   7.087
  276   HG21  VAL  38          HG21      VAL  38  -9.271  -4.987   3.963
  277   HG22  VAL  38          HG22      VAL  38  -7.815  -4.930   4.964
  278   HG23  VAL  38          HG23      VAL  38  -8.750  -3.474   4.722
  279    H    ALA  39           HN       ALA  39 -12.259  -6.138   6.424
  280    HA   ALA  39           HA       ALA  39 -12.924  -8.088   4.464
  281    HB1  ALA  39           HB1      ALA  39 -14.658  -5.944   5.718
  282    HB2  ALA  39           HB2      ALA  39 -14.458  -7.588   6.329
  283    HB3  ALA  39           HB3      ALA  39 -15.239  -7.314   4.770
  284    H    GLY  40           HN       GLY  40 -11.644  -7.378   2.824
  285    HA2  GLY  40           HA2      GLY  40 -12.665  -6.233   0.672
  286    HA3  GLY  40           HA1      GLY  40 -12.058  -4.843   1.581
  287    H    ARG  41           HN       ARG  41 -10.314  -4.358   0.305
  288    HA   ARG  41           HA       ARG  41  -8.125  -6.262   0.460
  289    HB2  ARG  41           HB2      ARG  41  -9.093  -4.987  -2.107
  290    HB3  ARG  41           HB1      ARG  41  -7.491  -5.729  -1.873
  291    HG2  ARG  41           HG2      ARG  41  -8.365  -7.711  -1.450
  292    HG3  ARG  41           HG1      ARG  41 -10.072  -7.224  -1.400
  293    HD2  ARG  41           HD2      ARG  41  -9.738  -8.382  -3.461
  294    HD3  ARG  41           HD1      ARG  41  -9.674  -6.678  -3.896
  295    HE   ARG  41           HE       ARG  41  -7.184  -6.958  -3.733
  296   HH11  ARG  41          HH11      ARG  41  -9.248  -9.707  -4.639
  297   HH12  ARG  41          HH12      ARG  41  -8.095 -10.423  -5.656
  298   HH21  ARG  41          HH21      ARG  41  -5.619  -7.922  -5.139
  299   HH22  ARG  41          HH22      ARG  41  -5.947  -9.365  -5.968
  300    H    LYS  42           HN       LYS  42  -6.383  -5.259   1.256
  301    HA   LYS  42           HA       LYS  42  -6.519  -2.354   1.239
  302    HB2  LYS  42           HB2      LYS  42  -6.726  -3.338   3.478
  303    HB3  LYS  42           HB1      LYS  42  -5.257  -4.244   3.264
  304    HG2  LYS  42           HG2      LYS  42  -4.958  -2.287   4.721
  305    HG3  LYS  42           HG1      LYS  42  -3.937  -2.214   3.292
  306    HD2  LYS  42           HD2      LYS  42  -5.368  -0.574   2.279
  307    HD3  LYS  42           HD1      LYS  42  -6.568  -0.726   3.583
  308    HE2  LYS  42           HE2      LYS  42  -5.030   0.122   5.136
  309    HE3  LYS  42           HE1      LYS  42  -3.710   0.149   3.968
  310    HZ1  LYS  42           HZ1      LYS  42  -6.127   1.971   4.000
  311    HZ2  LYS  42           HZ2      LYS  42  -5.112   1.845   2.680
  312    HZ3  LYS  42           HZ3      LYS  42  -4.498   2.412   4.102
  313    H    CYS  43           HN       CYS  43  -4.778  -1.221   0.737
  314    HA   CYS  43           HA       CYS  43  -2.687  -2.492  -0.795
  315    HB2  CYS  43           HB2      CYS  43  -3.794  -0.642  -1.784
  316    HB3  CYS  43           HB1      CYS  43  -3.645   0.309  -0.325
  317    H    TYR  44           HN       TYR  44  -0.584  -2.473  -0.162
  318    HA   TYR  44           HA       TYR  44   0.130  -0.988   2.210
  319    HB2  TYR  44           HB2      TYR  44   0.622  -3.866   1.614
  320    HB3  TYR  44           HB1      TYR  44   1.720  -2.934   2.621
  321    HD1  TYR  44           HD1      TYR  44  -1.788  -4.006   2.315
  322    HD2  TYR  44           HD2      TYR  44   1.272  -2.613   4.868
  323    HE1  TYR  44           HE1      TYR  44  -3.180  -4.540   4.239
  324    HE2  TYR  44           HE2      TYR  44  -0.091  -3.124   6.823
  325    HH   TYR  44           HH       TYR  44  -2.571  -5.132   6.673
  326    H    CYS  45           HN       CYS  45   2.038  -0.170   2.128
  327    HA   CYS  45           HA       CYS  45   3.286  -0.083  -0.464
  328    HB2  CYS  45           HB2      CYS  45   3.748   1.587   2.004
  329    HB3  CYS  45           HB1      CYS  45   4.368   1.925   0.428
  330    H    TYR  46           HN       TYR  46   5.306  -0.778  -0.805
  331    HA   TYR  46           HA       TYR  46   6.562  -2.113   1.453
  332    HB2  TYR  46           HB2      TYR  46   6.549  -2.818  -1.445
  333    HB3  TYR  46           HB1      TYR  46   7.755  -3.471  -0.350
  334    HD1  TYR  46           HD1      TYR  46   4.009  -3.207  -0.753
  335    HD2  TYR  46           HD2      TYR  46   7.317  -5.444   0.727
  336    HE1  TYR  46           HE1      TYR  46   2.514  -4.963  -0.146
  337    HE2  TYR  46           HE2      TYR  46   5.836  -7.261   1.325
  338    HH   TYR  46           HH       TYR  46   2.628  -7.453   0.198
  339    H    LYS  47           HN       LYS  47   8.494  -1.696   2.001
  340    HA   LYS  47           HA       LYS  47  10.175  -0.162   0.248
  341    HB2  LYS  47           HB2      LYS  47  10.711   1.514   2.032
  342    HB3  LYS  47           HB1      LYS  47   9.095   1.650   1.367
  343    HG2  LYS  47           HG2      LYS  47   8.178   0.570   3.358
  344    HG3  LYS  47           HG1      LYS  47   9.806   0.367   4.009
  345    HD2  LYS  47           HD2      LYS  47  10.104   2.774   4.091
  346    HD3  LYS  47           HD1      LYS  47   8.524   3.022   3.351
  347    HE2  LYS  47           HE2      LYS  47   8.398   3.384   5.752
  348    HE3  LYS  47           HE1      LYS  47   7.468   1.956   5.305
  349    HZ1  LYS  47           HZ1      LYS  47  10.194   1.958   6.474
  350    HZ2  LYS  47           HZ2      LYS  47   9.319   0.580   6.026
  351    HZ3  LYS  47           HZ3      LYS  47   8.757   1.564   7.281
  352    HA   PRO  48           HA       PRO  48  13.129  -2.896   2.040
  353    HB2  PRO  48           HB2      PRO  48  15.383  -1.636   1.219
  354    HB3  PRO  48           HB1      PRO  48  14.344  -2.526   0.083
  355    HG2  PRO  48           HG2      PRO  48  14.499   0.402   0.566
  356    HG3  PRO  48           HG1      PRO  48  14.348  -0.483  -0.967
  357    HD2  PRO  48           HD2      PRO  48  12.209   0.680   0.235
  358    HD3  PRO  48           HD1      PRO  48  12.098  -0.804  -0.730
  359    H    CYS  49           HN       CYS  49  13.430  -2.964   4.034
  360    HA   CYS  49           HA       CYS  49  14.940  -0.875   5.431
  361    HB2  CYS  49           HB2      CYS  49  13.770  -1.982   7.472
  362    HB3  CYS  49           HB1      CYS  49  12.819  -0.879   6.483
  363    HA   PRO  50           HA       PRO  50  18.059  -3.962   6.006
  364    HB2  PRO  50           HB2      PRO  50  18.431  -3.960   8.773
  365    HB3  PRO  50           HB1      PRO  50  19.198  -2.808   7.659
  366    HG2  PRO  50           HG2      PRO  50  16.787  -2.448   9.348
  367    HG3  PRO  50           HG1      PRO  50  18.078  -1.294   8.956
  368    HD2  PRO  50           HD2      PRO  50  15.705  -1.133   7.763
  369    HD3  PRO  50           HD1      PRO  50  17.206  -0.803   6.877
  Start of MODEL   12
    1    H1   ARG   1           HT1      ARG   1  15.753  -6.319   2.909
    2    H2   ARG   1           HT2      ARG   1  16.164  -6.396   4.602
    3    H3   ARG   1           HT3      ARG   1  15.456  -5.099   3.988
    4    HA   ARG   1           HA       ARG   1  13.942  -7.585   3.871
    5    HB2  ARG   1           HB2      ARG   1  14.113  -5.506   6.039
    6    HB3  ARG   1           HB1      ARG   1  12.739  -6.582   5.860
    7    HG2  ARG   1           HG2      ARG   1  13.883  -8.394   6.618
    8    HG3  ARG   1           HG1      ARG   1  15.434  -7.801   6.017
    9    HD2  ARG   1           HD2      ARG   1  15.415  -7.703   8.458
   10    HD3  ARG   1           HD1      ARG   1  15.446  -6.105   7.703
   11    HE   ARG   1           HE       ARG   1  12.873  -7.111   8.555
   12   HH11  ARG   1          HH11      ARG   1  15.641  -4.933   9.020
   13   HH12  ARG   1          HH12      ARG   1  14.932  -3.972  10.209
   14   HH21  ARG   1          HH21      ARG   1  11.797  -5.752  10.227
   15   HH22  ARG   1          HH22      ARG   1  12.649  -4.449  10.913
   16    H    MET   2           HN       MET   2  11.691  -7.207   3.608
   17    HA   MET   2           HA       MET   2  11.052  -4.678   2.243
   18    HB2  MET   2           HB2      MET   2   9.816  -7.425   2.099
   19    HB3  MET   2           HB1      MET   2   9.101  -5.986   1.390
   20    HG2  MET   2           HG2      MET   2  11.047  -5.713  -0.036
   21    HG3  MET   2           HG1      MET   2  11.776  -7.137   0.694
   22    HE1  MET   2           HE1      MET   2   9.317  -9.969  -0.588
   23    HE2  MET   2           HE2      MET   2   9.167  -9.080   0.925
   24    HE3  MET   2           HE3      MET   2  10.755  -9.623   0.374
   25    H    CYS   3           HN       CYS   3  10.196  -3.365   3.432
   26    HA   CYS   3           HA       CYS   3   8.670  -4.178   5.759
   27    HB2  CYS   3           HB2      CYS   3   9.921  -1.702   4.779
   28    HB3  CYS   3           HB1      CYS   3   8.556  -1.510   5.886
   29    H    LYS   4           HN       LYS   4   6.603  -4.518   5.559
   30    HA   LYS   4           HA       LYS   4   5.149  -3.275   3.383
   31    HB2  LYS   4           HB2      LYS   4   4.966  -5.759   3.854
   32    HB3  LYS   4           HB1      LYS   4   4.212  -5.352   5.389
   33    HG2  LYS   4           HG2      LYS   4   2.354  -4.312   4.247
   34    HG3  LYS   4           HG1      LYS   4   3.160  -4.543   2.705
   35    HD2  LYS   4           HD2      LYS   4   1.430  -6.185   2.939
   36    HD3  LYS   4           HD1      LYS   4   3.004  -6.961   2.996
   37    HE2  LYS   4           HE2      LYS   4   2.856  -7.160   5.423
   38    HE3  LYS   4           HE1      LYS   4   1.323  -6.286   5.418
   39    HZ1  LYS   4           HZ1      LYS   4   0.272  -8.099   4.252
   40    HZ2  LYS   4           HZ2      LYS   4   1.034  -8.744   5.562
   41    HZ3  LYS   4           HZ3      LYS   4   1.728  -8.886   4.021
   42    H    THR   5           HN       THR   5   4.375  -1.361   3.816
   43    HA   THR   5           HA       THR   5   3.614  -0.592   6.541
   44    HB   THR   5           HB       THR   5   4.620   0.919   4.142
   45    HG1  THR   5           HG1      THR   5   5.765  -0.377   6.052
   46   HG21  THR   5          HG21      THR   5   3.050   2.318   5.335
   47   HG22  THR   5          HG22      THR   5   4.691   2.905   5.568
   48   HG23  THR   5          HG23      THR   5   3.876   2.016   6.874
   49    HA   PRO   6           HA       PRO   6  -0.556  -0.412   4.810
   50    HB2  PRO   6           HB2      PRO   6  -1.715   1.093   6.781
   51    HB3  PRO   6           HB1      PRO   6  -1.420  -0.653   6.917
   52    HG2  PRO   6           HG2      PRO   6   0.129   1.600   8.068
   53    HG3  PRO   6           HG1      PRO   6  -0.230   0.003   8.756
   54    HD2  PRO   6           HD2      PRO   6   2.177   0.626   7.663
   55    HD3  PRO   6           HD1      PRO   6   1.502  -1.016   7.662
   56    H    SER   7           HN       SER   7  -1.244   0.835   3.250
   57    HA   SER   7           HA       SER   7  -0.358   3.381   2.558
   58    HB2  SER   7           HB2      SER   7  -2.488   3.412   1.181
   59    HB3  SER   7           HB1      SER   7  -1.419   2.055   0.861
   60    HG   SER   7           HG       SER   7  -2.705   0.734   1.792
   61    H    GLY   8           HN       GLY   8  -1.100   5.458   2.935
   62    HA2  GLY   8           HA2      GLY   8  -3.016   5.719   5.111
   63    HA3  GLY   8           HA1      GLY   8  -1.896   6.944   4.541
   64    H    LYS   9           HN       LYS   9  -2.762   6.446   1.649
   65    HA   LYS   9           HA       LYS   9  -5.356   7.888   1.845
   66    HB2  LYS   9           HB2      LYS   9  -4.703   9.193   0.086
   67    HB3  LYS   9           HB1      LYS   9  -3.677   9.461   1.505
   68    HG2  LYS   9           HG2      LYS   9  -1.901   8.391   0.519
   69    HG3  LYS   9           HG1      LYS   9  -2.870   7.679  -0.764
   70    HD2  LYS   9           HD2      LYS   9  -3.511  10.175  -0.936
   71    HD3  LYS   9           HD1      LYS   9  -1.800  10.328  -0.430
   72    HE2  LYS   9           HE2      LYS   9  -2.863   8.645  -2.651
   73    HE3  LYS   9           HE1      LYS   9  -1.904  10.125  -2.917
   74    HZ1  LYS   9           HZ1      LYS   9  -0.535   8.042  -3.050
   75    HZ2  LYS   9           HZ2      LYS   9  -1.004   7.670  -1.491
   76    HZ3  LYS   9           HZ3      LYS   9  -0.071   9.034  -1.767
   77    H    PHE  10           HN       PHE  10  -4.541   5.134   1.172
   78    HA   PHE  10           HA       PHE  10  -5.091   4.773  -1.575
   79    HB2  PHE  10           HB2      PHE  10  -3.900   3.140  -0.211
   80    HB3  PHE  10           HB1      PHE  10  -5.372   2.745   0.655
   81    HD1  PHE  10           HD1      PHE  10  -6.825   1.115  -0.251
   82    HD2  PHE  10           HD2      PHE  10  -3.877   3.005  -2.562
   83    HE1  PHE  10           HE1      PHE  10  -7.332  -0.449  -2.082
   84    HE2  PHE  10           HE2      PHE  10  -4.332   1.431  -4.471
   85    HZ   PHE  10           HZ       PHE  10  -6.080  -0.293  -4.199
   86    H    LYS  11           HN       LYS  11  -6.781   4.233  -2.630
   87    HA   LYS  11           HA       LYS  11  -9.343   4.500  -1.323
   88    HB2  LYS  11           HB2      LYS  11 -10.012   5.750  -3.553
   89    HB3  LYS  11           HB1      LYS  11  -9.275   6.624  -2.222
   90    HG2  LYS  11           HG2      LYS  11  -8.345   7.366  -4.310
   91    HG3  LYS  11           HG1      LYS  11  -7.108   6.494  -3.416
   92    HD2  LYS  11           HD2      LYS  11  -7.469   4.532  -4.816
   93    HD3  LYS  11           HD1      LYS  11  -8.757   5.369  -5.680
   94    HE2  LYS  11           HE2      LYS  11  -7.172   7.037  -6.431
   95    HE3  LYS  11           HE1      LYS  11  -5.876   6.221  -5.553
   96    HZ1  LYS  11           HZ1      LYS  11  -7.428   5.049  -7.818
   97    HZ2  LYS  11           HZ2      LYS  11  -6.173   4.273  -7.006
   98    HZ3  LYS  11           HZ3      LYS  11  -5.855   5.643  -7.922
   99    H    GLY  12           HN       GLY  12 -10.770   3.041  -1.798
  100    HA2  GLY  12           HA2      GLY  12 -12.045   1.668  -3.177
  101    HA3  GLY  12           HA1      GLY  12 -10.788   1.766  -4.399
  102    H    TYR  13           HN       TYR  13 -10.998  -0.453  -4.648
  103    HA   TYR  13           HA       TYR  13 -10.179  -2.188  -2.467
  104    HB2  TYR  13           HB2      TYR  13 -11.576  -2.533  -5.038
  105    HB3  TYR  13           HB1      TYR  13 -10.496  -3.833  -4.551
  106    HD1  TYR  13           HD1      TYR  13 -11.034  -5.286  -2.834
  107    HD2  TYR  13           HD2      TYR  13 -13.529  -1.940  -3.583
  108    HE1  TYR  13           HE1      TYR  13 -12.689  -6.258  -1.391
  109    HE2  TYR  13           HE2      TYR  13 -15.259  -2.897  -2.109
  110    HH   TYR  13           HH       TYR  13 -14.696  -5.443   0.017
  111    H    CYS  14           HN       CYS  14  -8.240  -3.208  -2.391
  112    HA   CYS  14           HA       CYS  14  -6.399  -2.536  -4.522
  113    HB2  CYS  14           HB2      CYS  14  -5.846  -2.376  -1.975
  114    HB3  CYS  14           HB1      CYS  14  -5.651  -4.121  -2.073
  115    H    VAL  15           HN       VAL  15  -8.066  -3.972  -5.613
  116    HA   VAL  15           HA       VAL  15  -7.540  -6.750  -5.645
  117    HB   VAL  15           HB       VAL  15  -8.653  -6.779  -7.914
  118   HG11  VAL  15          HG11      VAL  15 -10.133  -5.356  -5.708
  119   HG12  VAL  15          HG12      VAL  15  -9.986  -7.098  -5.921
  120   HG13  VAL  15          HG13      VAL  15 -10.887  -6.139  -7.093
  121   HG21  VAL  15          HG21      VAL  15  -9.757  -4.729  -8.710
  122   HG22  VAL  15          HG22      VAL  15  -8.002  -4.552  -8.690
  123   HG23  VAL  15          HG23      VAL  15  -8.974  -3.812  -7.421
  124    H    ASN  16           HN       ASN  16  -6.086  -4.033  -7.246
  125    HA   ASN  16           HA       ASN  16  -4.176  -5.835  -8.602
  126    HB2  ASN  16           HB2      ASN  16  -5.737  -4.609 -10.172
  127    HB3  ASN  16           HB1      ASN  16  -5.114  -3.098  -9.534
  128   HD21  ASN  16          HD21      ASN  16  -5.066  -3.913 -12.252
  129   HD22  ASN  16          HD22      ASN  16  -3.426  -4.055 -12.742
  130    H    ASN  17           HN       ASN  17  -2.225  -5.600  -7.999
  131    HA   ASN  17           HA       ASN  17  -1.273  -4.006  -5.930
  132    HB2  ASN  17           HB2      ASN  17   0.221  -5.380  -8.165
  133    HB3  ASN  17           HB1      ASN  17   1.010  -4.627  -6.785
  134   HD21  ASN  17          HD21      ASN  17   0.852  -7.459  -7.737
  135   HD22  ASN  17          HD22      ASN  17   0.260  -8.322  -6.365
  136    H    THR  18           HN       THR  18  -1.527  -3.321  -9.315
  137    HA   THR  18           HA       THR  18   0.365  -1.263  -9.488
  138    HB   THR  18           HB       THR  18  -2.106  -1.769 -11.151
  139    HG1  THR  18           HG1      THR  18  -0.939  -3.498 -11.477
  140   HG21  THR  18          HG21      THR  18  -0.926  -0.563 -12.924
  141   HG22  THR  18          HG22      THR  18   0.418  -0.223 -11.828
  142   HG23  THR  18          HG23      THR  18  -1.172   0.492 -11.532
  143    H    ASN  19           HN       ASN  19  -3.033  -1.214  -8.444
  144    HA   ASN  19           HA       ASN  19  -3.319   1.625  -8.554
  145    HB2  ASN  19           HB2      ASN  19  -5.291   0.054  -8.535
  146    HB3  ASN  19           HB1      ASN  19  -4.841  -0.432  -6.907
  147   HD21  ASN  19          HD21      ASN  19  -6.931   0.155  -6.216
  148   HD22  ASN  19          HD22      ASN  19  -7.367   1.775  -5.899
  149    H    CYS  20           HN       CYS  20  -2.565  -0.780  -6.114
  150    HA   CYS  20           HA       CYS  20  -2.212   0.778  -3.815
  151    HB2  CYS  20           HB2      CYS  20  -1.991  -1.855  -4.126
  152    HB3  CYS  20           HB1      CYS  20  -0.401  -1.453  -4.588
  153    H    LYS  21           HN       LYS  21   0.007  -0.372  -6.261
  154    HA   LYS  21           HA       LYS  21   2.259   0.390  -5.282
  155    HB2  LYS  21           HB2      LYS  21   1.516  -0.825  -7.569
  156    HB3  LYS  21           HB1      LYS  21   1.990   0.762  -8.184
  157    HG2  LYS  21           HG2      LYS  21   4.207   0.507  -7.525
  158    HG3  LYS  21           HG1      LYS  21   3.792  -0.896  -6.531
  159    HD2  LYS  21           HD2      LYS  21   4.881  -1.559  -8.652
  160    HD3  LYS  21           HD1      LYS  21   3.251  -2.204  -8.490
  161    HE2  LYS  21           HE2      LYS  21   2.434  -0.328  -9.922
  162    HE3  LYS  21           HE1      LYS  21   4.110   0.170 -10.148
  163    HZ1  LYS  21           HZ1      LYS  21   2.935  -2.438 -10.946
  164    HZ2  LYS  21           HZ2      LYS  21   4.555  -2.007 -11.147
  165    HZ3  LYS  21           HZ3      LYS  21   3.344  -1.179 -11.994
  166    H    ASN  22           HN       ASN  22   0.180   2.102  -7.586
  167    HA   ASN  22           HA       ASN  22   1.777   4.390  -7.940
  168    HB2  ASN  22           HB2      ASN  22  -1.183   4.021  -8.380
  169    HB3  ASN  22           HB1      ASN  22  -0.296   5.467  -8.842
  170   HD21  ASN  22          HD21      ASN  22  -1.717   3.635 -10.558
  171   HD22  ASN  22          HD22      ASN  22  -0.572   3.019 -11.687
  172    H    VAL  23           HN       VAL  23  -0.959   3.749  -5.784
  173    HA   VAL  23           HA       VAL  23  -1.061   6.341  -4.712
  174    HB   VAL  23           HB       VAL  23  -1.825   3.729  -3.358
  175   HG11  VAL  23          HG11      VAL  23  -1.540   5.681  -1.794
  176   HG12  VAL  23          HG12      VAL  23  -3.171   5.056  -1.855
  177   HG13  VAL  23          HG13      VAL  23  -2.769   6.535  -2.716
  178   HG21  VAL  23          HG21      VAL  23  -3.452   5.688  -4.970
  179   HG22  VAL  23          HG22      VAL  23  -4.108   4.324  -4.071
  180   HG23  VAL  23          HG23      VAL  23  -3.024   4.037  -5.439
  181    H    CYS  24           HN       CYS  24   0.630   3.455  -3.555
  182    HA   CYS  24           HA       CYS  24   1.924   4.583  -1.374
  183    HB2  CYS  24           HB2      CYS  24   2.590   2.272  -3.180
  184    HB3  CYS  24           HB1      CYS  24   3.545   2.574  -1.748
  185    H    ARG  25           HN       ARG  25   2.895   4.443  -4.746
  186    HA   ARG  25           HA       ARG  25   5.439   5.567  -4.367
  187    HB2  ARG  25           HB2      ARG  25   3.690   5.447  -6.818
  188    HB3  ARG  25           HB1      ARG  25   5.362   6.008  -6.838
  189    HG2  ARG  25           HG2      ARG  25   6.210   3.904  -6.267
  190    HG3  ARG  25           HG1      ARG  25   4.642   3.331  -5.704
  191    HD2  ARG  25           HD2      ARG  25   5.039   2.270  -7.758
  192    HD3  ARG  25           HD1      ARG  25   3.841   3.538  -8.039
  193    HE   ARG  25           HE       ARG  25   6.663   3.859  -8.589
  194   HH11  ARG  25          HH11      ARG  25   3.278   4.079  -9.753
  195   HH12  ARG  25          HH12      ARG  25   3.654   4.850 -11.194
  196   HH21  ARG  25          HH21      ARG  25   7.183   4.931 -10.663
  197   HH22  ARG  25          HH22      ARG  25   5.949   5.344 -11.755
  198    H    THR  26           HN       THR  26   2.273   7.007  -4.722
  199    HA   THR  26           HA       THR  26   3.292   9.690  -4.986
  200    HB   THR  26           HB       THR  26   0.562   9.000  -3.893
  201    HG1  THR  26           HG1      THR  26   1.580   8.288  -6.290
  202   HG21  THR  26          HG21      THR  26   1.547  11.257  -5.644
  203   HG22  THR  26          HG22      THR  26   1.190  11.368  -3.922
  204   HG23  THR  26          HG23      THR  26  -0.108  11.045  -5.071
  205    H    GLU  27           HN       GLU  27   2.481   7.540  -2.282
  206    HA   GLU  27           HA       GLU  27   2.627   9.591  -0.287
  207    HB2  GLU  27           HB2      GLU  27   2.542   6.573  -0.102
  208    HB3  GLU  27           HB1      GLU  27   2.651   7.607   1.326
  209    HG2  GLU  27           HG2      GLU  27   0.513   8.642   0.758
  210    HG3  GLU  27           HG1      GLU  27   0.573   7.804  -0.765
  211    H    GLY  28           HN       GLY  28   4.898   7.602  -1.876
  212    HA2  GLY  28           HA2      GLY  28   7.158   8.691  -1.880
  213    HA3  GLY  28           HA1      GLY  28   6.994   8.770  -0.131
  214    H    PHE  29           HN       PHE  29   5.820   6.006  -1.754
  215    HA   PHE  29           HA       PHE  29   8.039   4.474  -0.641
  216    HB2  PHE  29           HB2      PHE  29   5.252   3.643  -1.405
  217    HB3  PHE  29           HB1      PHE  29   6.489   2.549  -0.798
  218    HD1  PHE  29           HD1      PHE  29   7.098   2.549   1.504
  219    HD2  PHE  29           HD2      PHE  29   4.186   5.244   0.018
  220    HE1  PHE  29           HE1      PHE  29   6.400   3.003   3.788
  221    HE2  PHE  29           HE2      PHE  29   3.436   5.748   2.271
  222    HZ   PHE  29           HZ       PHE  29   4.541   4.623   4.213
  223    HA   PRO  30           HA       PRO  30   9.444   3.518  -4.714
  224    HB2  PRO  30           HB2      PRO  30  10.217   0.882  -4.197
  225    HB3  PRO  30           HB1      PRO  30  11.243   2.301  -3.954
  226    HG2  PRO  30           HG2      PRO  30   9.737   0.727  -1.966
  227    HG3  PRO  30           HG1      PRO  30  11.240   1.644  -1.781
  228    HD2  PRO  30           HD2      PRO  30   8.869   2.481  -0.828
  229    HD3  PRO  30           HD1      PRO  30  10.149   3.596  -1.335
  230    H    THR  31           HN       THR  31   7.257   1.247  -3.027
  231    HA   THR  31           HA       THR  31   5.833   0.785  -5.429
  232    HB   THR  31           HB       THR  31   7.708  -0.712  -5.837
  233    HG1  THR  31           HG1      THR  31   6.404  -2.825  -5.528
  234   HG21  THR  31          HG21      THR  31   8.171  -2.632  -4.271
  235   HG22  THR  31          HG22      THR  31   7.106  -1.833  -3.096
  236   HG23  THR  31          HG23      THR  31   8.572  -1.039  -3.633
  237    H    GLY  32           HN       GLY  32   4.226  -1.099  -4.899
  238    HA2  GLY  32           HA2      GLY  32   3.454  -1.274  -2.141
  239    HA3  GLY  32           HA1      GLY  32   2.348  -0.349  -3.162
  240    H    SER  33           HN       SER  33   1.662  -2.695  -1.888
  241    HA   SER  33           HA       SER  33   0.789  -4.271  -4.128
  242    HB2  SER  33           HB2      SER  33   3.068  -5.239  -3.528
  243    HB3  SER  33           HB1      SER  33   2.410  -5.649  -1.957
  244    HG   SER  33           HG       SER  33   1.003  -6.540  -4.201
  245    H    CYS  34           HN       CYS  34  -0.730  -6.052  -3.282
  246    HA   CYS  34           HA       CYS  34  -2.423  -4.683  -1.393
  247    HB2  CYS  34           HB2      CYS  34  -3.037  -6.876  -3.352
  248    HB3  CYS  34           HB1      CYS  34  -4.201  -5.979  -2.377
  249    H    ASP  35           HN       ASP  35  -3.549  -5.827   0.200
  250    HA   ASP  35           HA       ASP  35  -2.582  -8.448   1.034
  251    HB2  ASP  35           HB2      ASP  35  -1.170  -6.769   2.026
  252    HB3  ASP  35           HB1      ASP  35  -2.565  -5.852   2.542
  253    H    PHE  36           HN       PHE  36  -4.130  -9.350   2.640
  254    HA   PHE  36           HA       PHE  36  -6.722  -8.036   2.607
  255    HB2  PHE  36           HB2      PHE  36  -6.618 -10.038   1.029
  256    HB3  PHE  36           HB1      PHE  36  -6.263 -11.035   2.429
  257    HD1  PHE  36           HD1      PHE  36  -8.652 -10.887   0.307
  258    HD2  PHE  36           HD2      PHE  36  -8.236  -9.819   4.401
  259    HE1  PHE  36           HE1      PHE  36 -11.077 -11.216   0.644
  260    HE2  PHE  36           HE2      PHE  36 -10.624 -10.133   4.758
  261    HZ   PHE  36           HZ       PHE  36 -12.071 -10.850   2.870
  262    H    HIS  37           HN       HIS  37  -6.805  -7.389   4.589
  263    HA   HIS  37           HA       HIS  37  -6.502  -9.395   6.706
  264    HB2  HIS  37           HB2      HIS  37  -4.953  -8.096   7.992
  265    HB3  HIS  37           HB1      HIS  37  -4.481  -7.826   6.307
  266    HD1  HIS  37           HD1      HIS  37  -5.816  -6.040   9.238
  267    HD2  HIS  37           HD2      HIS  37  -4.881  -5.273   5.275
  268    HE1  HIS  37           HE1      HIS  37  -5.743  -3.528   9.012
  269    HE2  HIS  37           HE2      HIS  37  -4.542  -3.334   6.843
  270    H    VAL  38           HN       VAL  38  -8.529  -7.634   5.148
  271    HA   VAL  38           HA       VAL  38 -10.211  -6.922   7.335
  272    HB   VAL  38           HB       VAL  38 -10.663  -4.606   6.252
  273   HG11  VAL  38          HG11      VAL  38  -9.565  -4.728   8.418
  274   HG12  VAL  38          HG12      VAL  38  -8.821  -3.461   7.426
  275   HG13  VAL  38          HG13      VAL  38  -8.013  -5.008   7.628
  276   HG21  VAL  38          HG21      VAL  38  -7.924  -5.103   5.091
  277   HG22  VAL  38          HG22      VAL  38  -8.792  -3.580   5.015
  278   HG23  VAL  38          HG23      VAL  38  -9.413  -4.999   4.156
  279    H    ALA  39           HN       ALA  39 -12.373  -6.371   6.516
  280    HA   ALA  39           HA       ALA  39 -13.081  -8.021   4.341
  281    HB1  ALA  39           HB1      ALA  39 -14.610  -7.664   6.238
  282    HB2  ALA  39           HB2      ALA  39 -15.373  -7.212   4.712
  283    HB3  ALA  39           HB3      ALA  39 -14.759  -5.963   5.793
  284    H    GLY  40           HN       GLY  40 -11.823  -7.227   2.775
  285    HA2  GLY  40           HA2      GLY  40 -12.781  -5.849   0.729
  286    HA3  GLY  40           HA1      GLY  40 -12.078  -4.578   1.746
  287    H    ARG  41           HN       ARG  41 -10.314  -4.151   0.411
  288    HA   ARG  41           HA       ARG  41  -8.232  -6.153   0.630
  289    HB2  ARG  41           HB2      ARG  41  -9.062  -4.894  -1.998
  290    HB3  ARG  41           HB1      ARG  41  -7.501  -5.700  -1.699
  291    HG2  ARG  41           HG2      ARG  41  -8.489  -7.659  -1.277
  292    HG3  ARG  41           HG1      ARG  41 -10.171  -7.076  -1.300
  293    HD2  ARG  41           HD2      ARG  41  -9.820  -8.284  -3.310
  294    HD3  ARG  41           HD1      ARG  41  -9.601  -6.604  -3.785
  295    HE   ARG  41           HE       ARG  41  -7.175  -7.018  -3.542
  296   HH11  ARG  41          HH11      ARG  41  -9.298  -9.791  -4.191
  297   HH12  ARG  41          HH12      ARG  41  -8.136 -10.659  -5.069
  298   HH21  ARG  41          HH21      ARG  41  -5.587  -8.199  -4.764
  299   HH22  ARG  41          HH22      ARG  41  -5.942  -9.719  -5.419
  300    H    LYS  42           HN       LYS  42  -6.437  -5.243   1.432
  301    HA   LYS  42           HA       LYS  42  -6.506  -2.348   1.550
  302    HB2  LYS  42           HB2      LYS  42  -6.782  -3.436   3.708
  303    HB3  LYS  42           HB1      LYS  42  -5.356  -4.402   3.474
  304    HG2  LYS  42           HG2      LYS  42  -5.015  -2.538   5.037
  305    HG3  LYS  42           HG1      LYS  42  -3.943  -2.459   3.647
  306    HD2  LYS  42           HD2      LYS  42  -5.279  -0.707   2.659
  307    HD3  LYS  42           HD1      LYS  42  -6.493  -0.867   3.941
  308    HE2  LYS  42           HE2      LYS  42  -5.035  -0.096   5.562
  309    HE3  LYS  42           HE1      LYS  42  -3.624  -0.236   4.521
  310    HZ1  LYS  42           HZ1      LYS  42  -5.842   1.781   4.128
  311    HZ2  LYS  42           HZ2      LYS  42  -4.453   1.606   3.160
  312    HZ3  LYS  42           HZ3      LYS  42  -4.290   2.133   4.697
  313    H    CYS  43           HN       CYS  43  -4.923  -1.252   0.761
  314    HA   CYS  43           HA       CYS  43  -2.754  -2.502  -0.644
  315    HB2  CYS  43           HB2      CYS  43  -3.779  -0.691  -1.718
  316    HB3  CYS  43           HB1      CYS  43  -3.771   0.285  -0.264
  317    H    TYR  44           HN       TYR  44  -0.653  -2.531  -0.034
  318    HA   TYR  44           HA       TYR  44   0.148  -1.018   2.297
  319    HB2  TYR  44           HB2      TYR  44   0.614  -3.903   1.705
  320    HB3  TYR  44           HB1      TYR  44   1.725  -2.966   2.691
  321    HD1  TYR  44           HD1      TYR  44  -1.790  -4.022   2.442
  322    HD2  TYR  44           HD2      TYR  44   1.324  -2.658   4.949
  323    HE1  TYR  44           HE1      TYR  44  -3.160  -4.538   4.373
  324    HE2  TYR  44           HE2      TYR  44  -0.013  -3.161   6.927
  325    HH   TYR  44           HH       TYR  44  -2.512  -5.130   6.854
  326    H    CYS  45           HN       CYS  45   2.064  -0.213   2.168
  327    HA   CYS  45           HA       CYS  45   3.223  -0.081  -0.461
  328    HB2  CYS  45           HB2      CYS  45   3.711   1.580   2.012
  329    HB3  CYS  45           HB1      CYS  45   4.212   1.961   0.400
  330    H    TYR  46           HN       TYR  46   5.316  -0.650  -0.832
  331    HA   TYR  46           HA       TYR  46   6.625  -2.033   1.374
  332    HB2  TYR  46           HB2      TYR  46   6.548  -2.660  -1.534
  333    HB3  TYR  46           HB1      TYR  46   7.839  -3.282  -0.509
  334    HD1  TYR  46           HD1      TYR  46   4.099  -3.112  -0.677
  335    HD2  TYR  46           HD2      TYR  46   7.535  -5.318   0.460
  336    HE1  TYR  46           HE1      TYR  46   2.677  -4.952  -0.079
  337    HE2  TYR  46           HE2      TYR  46   6.162  -7.210   1.063
  338    HH   TYR  46           HH       TYR  46   2.915  -7.466   0.116
  339    H    LYS  47           HN       LYS  47   8.603  -1.637   1.862
  340    HA   LYS  47           HA       LYS  47  10.201   0.021   0.139
  341    HB2  LYS  47           HB2      LYS  47  10.738   1.636   1.961
  342    HB3  LYS  47           HB1      LYS  47   9.088   1.743   1.378
  343    HG2  LYS  47           HG2      LYS  47   8.296   0.560   3.352
  344    HG3  LYS  47           HG1      LYS  47   9.943   0.341   3.924
  345    HD2  LYS  47           HD2      LYS  47  10.192   2.798   4.031
  346    HD3  LYS  47           HD1      LYS  47   8.500   2.963   3.566
  347    HE2  LYS  47           HE2      LYS  47   8.684   3.155   5.968
  348    HE3  LYS  47           HE1      LYS  47   7.871   1.642   5.568
  349    HZ1  LYS  47           HZ1      LYS  47   9.516   1.316   7.304
  350    HZ2  LYS  47           HZ2      LYS  47  10.737   1.926   6.312
  351    HZ3  LYS  47           HZ3      LYS  47   9.996   0.474   5.918
  352    HA   PRO  48           HA       PRO  48  13.261  -2.668   1.784
  353    HB2  PRO  48           HB2      PRO  48  15.489  -1.307   1.079
  354    HB3  PRO  48           HB1      PRO  48  14.480  -2.135  -0.127
  355    HG2  PRO  48           HG2      PRO  48  14.595   0.750   0.545
  356    HG3  PRO  48           HG1      PRO  48  14.431  -0.039  -1.037
  357    HD2  PRO  48           HD2      PRO  48  12.315   1.034   0.301
  358    HD3  PRO  48           HD1      PRO  48  12.186  -0.331  -0.823
  359    H    CYS  49           HN       CYS  49  13.496  -2.855   3.770
  360    HA   CYS  49           HA       CYS  49  14.847  -0.797   5.406
  361    HB2  CYS  49           HB2      CYS  49  13.064  -3.138   6.123
  362    HB3  CYS  49           HB1      CYS  49  13.921  -2.152   7.323
  363    HA   PRO  50           HA       PRO  50  18.314  -3.566   5.426
  364    HB2  PRO  50           HB2      PRO  50  18.456  -3.291   8.385
  365    HB3  PRO  50           HB1      PRO  50  19.688  -2.878   7.174
  366    HG2  PRO  50           HG2      PRO  50  18.393  -0.969   8.454
  367    HG3  PRO  50           HG1      PRO  50  18.792  -0.815   6.730
  368    HD2  PRO  50           HD2      PRO  50  16.169  -1.484   7.988
  369    HD3  PRO  50           HD1      PRO  50  16.529  -0.441   6.596
  Start of MODEL   13
    1    H1   ARG   1           HT1      ARG   1  15.185  -5.660   3.779
    2    H2   ARG   1           HT2      ARG   1  15.316  -6.984   2.753
    3    H3   ARG   1           HT3      ARG   1  15.742  -7.053   4.414
    4    HA   ARG   1           HA       ARG   1  13.424  -7.962   3.869
    5    HB2  ARG   1           HB2      ARG   1  13.939  -5.803   5.896
    6    HB3  ARG   1           HB1      ARG   1  12.409  -6.652   5.812
    7    HG2  ARG   1           HG2      ARG   1  13.453  -8.722   6.381
    8    HG3  ARG   1           HG1      ARG   1  15.062  -8.005   6.230
    9    HD2  ARG   1           HD2      ARG   1  14.669  -6.563   8.086
   10    HD3  ARG   1           HD1      ARG   1  12.986  -7.040   8.183
   11    HE   ARG   1           HE       ARG   1  13.626  -9.180   8.960
   12   HH11  ARG   1          HH11      ARG   1  16.399  -6.977   8.744
   13   HH12  ARG   1          HH12      ARG   1  17.317  -7.719   9.938
   14   HH21  ARG   1          HH21      ARG   1  14.909 -10.278  10.652
   15   HH22  ARG   1          HH22      ARG   1  16.445  -9.664  11.058
   16    H    MET   2           HN       MET   2  11.253  -7.441   3.634
   17    HA   MET   2           HA       MET   2  10.730  -4.939   2.173
   18    HB2  MET   2           HB2      MET   2   9.436  -7.657   2.009
   19    HB3  MET   2           HB1      MET   2   8.790  -6.206   1.259
   20    HG2  MET   2           HG2      MET   2  10.763  -6.000  -0.099
   21    HG3  MET   2           HG1      MET   2  11.463  -7.417   0.680
   22    HE1  MET   2           HE1      MET   2   8.760  -9.290   0.851
   23    HE2  MET   2           HE2      MET   2  10.357  -9.891   0.412
   24    HE3  MET   2           HE3      MET   2   8.971 -10.233  -0.624
   25    H    CYS   3           HN       CYS   3  10.181  -3.677   3.620
   26    HA   CYS   3           HA       CYS   3   8.519  -4.461   5.810
   27    HB2  CYS   3           HB2      CYS   3   9.826  -1.955   4.912
   28    HB3  CYS   3           HB1      CYS   3   8.555  -1.848   6.107
   29    H    LYS   4           HN       LYS   4   6.495  -4.774   5.557
   30    HA   LYS   4           HA       LYS   4   5.030  -3.507   3.400
   31    HB2  LYS   4           HB2      LYS   4   4.987  -6.001   3.910
   32    HB3  LYS   4           HB1      LYS   4   4.108  -5.597   5.375
   33    HG2  LYS   4           HG2      LYS   4   2.288  -4.657   4.028
   34    HG3  LYS   4           HG1      LYS   4   3.218  -4.988   2.579
   35    HD2  LYS   4           HD2      LYS   4   1.613  -6.699   2.785
   36    HD3  LYS   4           HD1      LYS   4   3.193  -7.373   3.129
   37    HE2  LYS   4           HE2      LYS   4   2.750  -7.245   5.555
   38    HE3  LYS   4           HE1      LYS   4   1.153  -6.573   5.224
   39    HZ1  LYS   4           HZ1      LYS   4   1.001  -8.950   5.679
   40    HZ2  LYS   4           HZ2      LYS   4   2.053  -9.295   4.384
   41    HZ3  LYS   4           HZ3      LYS   4   0.565  -8.649   4.095
   42    H    THR   5           HN       THR   5   4.182  -1.606   3.880
   43    HA   THR   5           HA       THR   5   3.207  -1.056   6.586
   44    HB   THR   5           HB       THR   5   4.523   0.601   4.479
   45    HG1  THR   5           HG1      THR   5   5.291  -0.736   6.596
   46   HG21  THR   5          HG21      THR   5   3.300   1.590   7.079
   47   HG22  THR   5          HG22      THR   5   2.822   2.002   5.411
   48   HG23  THR   5          HG23      THR   5   4.375   2.529   6.026
   49    HA   PRO   6           HA       PRO   6  -0.751  -0.810   4.371
   50    HB2  PRO   6           HB2      PRO   6  -2.171   0.305   6.425
   51    HB3  PRO   6           HB1      PRO   6  -1.823  -1.431   6.270
   52    HG2  PRO   6           HG2      PRO   6  -0.532   0.586   8.015
   53    HG3  PRO   6           HG1      PRO   6  -0.860  -1.129   8.322
   54    HD2  PRO   6           HD2      PRO   6   1.614  -0.167   7.638
   55    HD3  PRO   6           HD1      PRO   6   1.070  -1.822   7.296
   56    H    SER   7           HN       SER   7  -1.167   0.632   2.920
   57    HA   SER   7           HA       SER   7  -0.229   3.228   2.819
   58    HB2  SER   7           HB2      SER   7  -2.658   2.254   1.392
   59    HB3  SER   7           HB1      SER   7  -1.341   3.275   0.794
   60    HG   SER   7           HG       SER   7  -0.128   1.606   0.488
   61    H    GLY   8           HN       GLY   8  -1.156   5.176   3.165
   62    HA2  GLY   8           HA2      GLY   8  -3.331   5.195   5.085
   63    HA3  GLY   8           HA1      GLY   8  -2.234   6.516   4.723
   64    H    LYS   9           HN       LYS   9  -2.798   6.188   1.674
   65    HA   LYS   9           HA       LYS   9  -5.266   7.638   2.050
   66    HB2  LYS   9           HB2      LYS   9  -4.821   8.914   0.136
   67    HB3  LYS   9           HB1      LYS   9  -3.650   9.095   1.428
   68    HG2  LYS   9           HG2      LYS   9  -2.233   7.530   0.179
   69    HG3  LYS   9           HG1      LYS   9  -3.309   7.734  -1.203
   70    HD2  LYS   9           HD2      LYS   9  -3.207  10.113  -0.749
   71    HD3  LYS   9           HD1      LYS   9  -1.890   9.722   0.368
   72    HE2  LYS   9           HE2      LYS   9  -0.903   8.403  -1.439
   73    HE3  LYS   9           HE1      LYS   9  -2.030   9.166  -2.531
   74    HZ1  LYS   9           HZ1      LYS   9  -0.146  10.722  -0.827
   75    HZ2  LYS   9           HZ2      LYS   9  -1.082  11.371  -2.083
   76    HZ3  LYS   9           HZ3      LYS   9   0.237  10.364  -2.403
   77    H    PHE  10           HN       PHE  10  -4.319   4.846   1.078
   78    HA   PHE  10           HA       PHE  10  -5.833   4.545  -1.335
   79    HB2  PHE  10           HB2      PHE  10  -3.790   3.198  -0.553
   80    HB3  PHE  10           HB1      PHE  10  -4.978   2.358   0.452
   81    HD1  PHE  10           HD1      PHE  10  -6.645   0.884  -0.510
   82    HD2  PHE  10           HD2      PHE  10  -3.880   3.050  -2.804
   83    HE1  PHE  10           HE1      PHE  10  -7.215  -0.538  -2.435
   84    HE2  PHE  10           HE2      PHE  10  -4.407   1.623  -4.811
   85    HZ   PHE  10           HZ       PHE  10  -6.092  -0.169  -4.597
   86    H    LYS  11           HN       LYS  11  -7.873   4.111  -1.474
   87    HA   LYS  11           HA       LYS  11  -9.291   2.666   0.641
   88    HB2  LYS  11           HB2      LYS  11 -10.454   4.909  -1.040
   89    HB3  LYS  11           HB1      LYS  11 -11.348   3.924   0.101
   90    HG2  LYS  11           HG2      LYS  11 -11.040   5.865   1.206
   91    HG3  LYS  11           HG1      LYS  11  -9.684   4.897   1.818
   92    HD2  LYS  11           HD2      LYS  11  -8.239   6.011   0.166
   93    HD3  LYS  11           HD1      LYS  11  -9.610   7.002  -0.336
   94    HE2  LYS  11           HE2      LYS  11  -9.783   7.897   1.918
   95    HE3  LYS  11           HE1      LYS  11  -8.403   6.913   2.416
   96    HZ1  LYS  11           HZ1      LYS  11  -7.114   8.043   0.680
   97    HZ2  LYS  11           HZ2      LYS  11  -7.600   9.078   1.935
   98    HZ3  LYS  11           HZ3      LYS  11  -8.396   9.120   0.429
   99    H    GLY  12           HN       GLY  12 -11.151   1.462  -0.282
  100    HA2  GLY  12           HA2      GLY  12 -12.392   0.712  -2.140
  101    HA3  GLY  12           HA1      GLY  12 -11.066   1.196  -3.185
  102    H    TYR  13           HN       TYR  13 -11.055  -0.796  -4.163
  103    HA   TYR  13           HA       TYR  13 -10.244  -3.051  -2.504
  104    HB2  TYR  13           HB2      TYR  13 -11.932  -2.809  -4.887
  105    HB3  TYR  13           HB1      TYR  13 -10.803  -4.157  -4.907
  106    HD1  TYR  13           HD1      TYR  13 -11.074  -6.003  -3.527
  107    HD2  TYR  13           HD2      TYR  13 -13.652  -2.666  -3.082
  108    HE1  TYR  13           HE1      TYR  13 -12.493  -7.342  -2.117
  109    HE2  TYR  13           HE2      TYR  13 -15.137  -4.002  -1.643
  110    HH   TYR  13           HH       TYR  13 -15.652  -6.355  -1.186
  111    H    CYS  14           HN       CYS  14  -8.139  -3.275  -2.441
  112    HA   CYS  14           HA       CYS  14  -6.503  -2.585  -4.695
  113    HB2  CYS  14           HB2      CYS  14  -5.861  -2.366  -2.196
  114    HB3  CYS  14           HB1      CYS  14  -5.587  -4.099  -2.260
  115    H    VAL  15           HN       VAL  15  -7.907  -4.138  -5.855
  116    HA   VAL  15           HA       VAL  15  -7.227  -6.902  -5.880
  117    HB   VAL  15           HB       VAL  15  -8.263  -5.168  -8.148
  118   HG11  VAL  15          HG11      VAL  15  -9.018  -7.279  -9.172
  119   HG12  VAL  15          HG12      VAL  15  -8.162  -8.175  -7.910
  120   HG13  VAL  15          HG13      VAL  15  -7.265  -7.151  -9.041
  121   HG21  VAL  15          HG21      VAL  15 -10.464  -6.101  -7.590
  122   HG22  VAL  15          HG22      VAL  15  -9.767  -5.194  -6.250
  123   HG23  VAL  15          HG23      VAL  15  -9.748  -6.957  -6.221
  124    H    ASN  16           HN       ASN  16  -6.178  -4.146  -7.760
  125    HA   ASN  16           HA       ASN  16  -4.004  -5.700  -8.910
  126    HB2  ASN  16           HB2      ASN  16  -5.216  -4.762 -10.649
  127    HB3  ASN  16           HB1      ASN  16  -5.515  -3.270  -9.781
  128   HD21  ASN  16          HD21      ASN  16  -3.136  -5.030 -11.715
  129   HD22  ASN  16          HD22      ASN  16  -2.138  -3.658 -11.990
  130    H    ASN  17           HN       ASN  17  -2.079  -5.505  -8.311
  131    HA   ASN  17           HA       ASN  17  -1.183  -3.971  -6.155
  132    HB2  ASN  17           HB2      ASN  17   0.362  -5.475  -8.265
  133    HB3  ASN  17           HB1      ASN  17   1.111  -4.734  -6.858
  134   HD21  ASN  17          HD21      ASN  17   0.870  -7.574  -7.735
  135   HD22  ASN  17          HD22      ASN  17   0.146  -8.363  -6.380
  136    H    THR  18           HN       THR  18  -1.132  -3.270  -9.578
  137    HA   THR  18           HA       THR  18   0.881  -1.315  -9.640
  138    HB   THR  18           HB       THR  18  -1.609  -1.498 -11.354
  139    HG1  THR  18           HG1      THR  18   0.464  -2.790 -12.416
  140   HG21  THR  18          HG21      THR  18  -0.152   0.442 -11.781
  141   HG22  THR  18          HG22      THR  18  -0.132  -0.717 -13.116
  142   HG23  THR  18          HG23      THR  18   1.225  -0.653 -11.987
  143    H    ASN  19           HN       ASN  19  -2.643  -1.156  -8.822
  144    HA   ASN  19           HA       ASN  19  -2.907   1.666  -8.847
  145    HB2  ASN  19           HB2      ASN  19  -4.832  -0.005  -8.945
  146    HB3  ASN  19           HB1      ASN  19  -4.480  -0.358  -7.253
  147   HD21  ASN  19          HD21      ASN  19  -6.558   0.283  -6.611
  148   HD22  ASN  19          HD22      ASN  19  -6.970   1.958  -6.553
  149    H    CYS  20           HN       CYS  20  -2.376  -0.803  -6.435
  150    HA   CYS  20           HA       CYS  20  -2.186   0.645  -4.054
  151    HB2  CYS  20           HB2      CYS  20  -1.940  -1.934  -4.544
  152    HB3  CYS  20           HB1      CYS  20  -0.300  -1.534  -4.811
  153    H    LYS  21           HN       LYS  21   0.094  -0.295  -6.455
  154    HA   LYS  21           HA       LYS  21   2.340   0.425  -5.389
  155    HB2  LYS  21           HB2      LYS  21   1.556  -0.636  -7.731
  156    HB3  LYS  21           HB1      LYS  21   2.078   0.962  -8.244
  157    HG2  LYS  21           HG2      LYS  21   4.274   0.583  -7.603
  158    HG3  LYS  21           HG1      LYS  21   3.832  -0.921  -6.768
  159    HD2  LYS  21           HD2      LYS  21   3.172  -1.965  -8.794
  160    HD3  LYS  21           HD1      LYS  21   3.316  -0.455  -9.689
  161    HE2  LYS  21           HE2      LYS  21   5.134  -1.858 -10.182
  162    HE3  LYS  21           HE1      LYS  21   5.636  -0.427  -9.253
  163    HZ1  LYS  21           HZ1      LYS  21   5.804  -1.854  -7.244
  164    HZ2  LYS  21           HZ2      LYS  21   6.771  -2.478  -8.465
  165    HZ3  LYS  21           HZ3      LYS  21   5.281  -3.183  -8.143
  166    H    ASN  22           HN       ASN  22   0.266   2.158  -7.703
  167    HA   ASN  22           HA       ASN  22   1.703   4.539  -7.975
  168    HB2  ASN  22           HB2      ASN  22  -1.252   4.034  -8.346
  169    HB3  ASN  22           HB1      ASN  22  -0.454   5.538  -8.778
  170   HD21  ASN  22          HD21      ASN  22  -1.864   3.662 -10.465
  171   HD22  ASN  22          HD22      ASN  22  -0.740   3.148 -11.669
  172    H    VAL  23           HN       VAL  23  -1.008   3.748  -5.841
  173    HA   VAL  23           HA       VAL  23  -1.181   6.288  -4.688
  174    HB   VAL  23           HB       VAL  23  -1.940   3.621  -3.462
  175   HG11  VAL  23          HG11      VAL  23  -3.440   4.946  -2.012
  176   HG12  VAL  23          HG12      VAL  23  -2.773   6.419  -2.713
  177   HG13  VAL  23          HG13      VAL  23  -1.742   5.357  -1.757
  178   HG21  VAL  23          HG21      VAL  23  -3.489   5.604  -5.121
  179   HG22  VAL  23          HG22      VAL  23  -4.251   4.387  -4.128
  180   HG23  VAL  23          HG23      VAL  23  -3.199   3.882  -5.469
  181    H    CYS  24           HN       CYS  24   0.575   3.410  -3.604
  182    HA   CYS  24           HA       CYS  24   1.786   4.534  -1.356
  183    HB2  CYS  24           HB2      CYS  24   2.557   2.269  -3.163
  184    HB3  CYS  24           HB1      CYS  24   3.515   2.639  -1.746
  185    H    ARG  25           HN       ARG  25   2.837   4.477  -4.703
  186    HA   ARG  25           HA       ARG  25   5.342   5.660  -4.236
  187    HB2  ARG  25           HB2      ARG  25   3.637   5.553  -6.721
  188    HB3  ARG  25           HB1      ARG  25   5.287   6.171  -6.704
  189    HG2  ARG  25           HG2      ARG  25   6.205   4.082  -6.213
  190    HG3  ARG  25           HG1      ARG  25   4.665   3.440  -5.645
  191    HD2  ARG  25           HD2      ARG  25   5.077   2.444  -7.744
  192    HD3  ARG  25           HD1      ARG  25   3.823   3.667  -7.961
  193    HE   ARG  25           HE       ARG  25   6.586   4.281  -8.505
  194   HH11  ARG  25          HH11      ARG  25   3.257   3.924  -9.767
  195   HH12  ARG  25          HH12      ARG  25   3.584   4.552 -11.280
  196   HH21  ARG  25          HH21      ARG  25   7.055   5.169 -10.684
  197   HH22  ARG  25          HH22      ARG  25   5.813   5.276 -11.841
  198    H    THR  26           HN       THR  26   2.143   6.913  -4.629
  199    HA   THR  26           HA       THR  26   3.014   9.656  -4.793
  200    HB   THR  26           HB       THR  26   0.174   8.642  -4.361
  201    HG1  THR  26           HG1      THR  26   1.137   7.725  -6.281
  202   HG21  THR  26          HG21      THR  26   1.229  11.180  -5.639
  203   HG22  THR  26          HG22      THR  26   0.520  11.076  -4.029
  204   HG23  THR  26          HG23      THR  26  -0.470  10.742  -5.450
  205    H    GLU  27           HN       GLU  27   2.165   7.387  -2.239
  206    HA   GLU  27           HA       GLU  27   1.909   9.414  -0.235
  207    HB2  GLU  27           HB2      GLU  27   2.300   6.409   0.013
  208    HB3  GLU  27           HB1      GLU  27   2.190   7.470   1.416
  209    HG2  GLU  27           HG2      GLU  27  -0.024   8.207   0.619
  210    HG3  GLU  27           HG1      GLU  27   0.132   7.047  -0.700
  211    H    GLY  28           HN       GLY  28   4.491   7.364  -1.359
  212    HA2  GLY  28           HA2      GLY  28   6.647   8.785  -1.371
  213    HA3  GLY  28           HA1      GLY  28   6.373   8.838   0.367
  214    H    PHE  29           HN       PHE  29   5.823   6.133  -1.814
  215    HA   PHE  29           HA       PHE  29   7.911   4.642  -0.400
  216    HB2  PHE  29           HB2      PHE  29   5.173   3.719  -1.242
  217    HB3  PHE  29           HB1      PHE  29   6.428   2.653  -0.637
  218    HD1  PHE  29           HD1      PHE  29   6.884   2.505   1.682
  219    HD2  PHE  29           HD2      PHE  29   4.089   5.336   0.204
  220    HE1  PHE  29           HE1      PHE  29   6.050   2.841   3.946
  221    HE2  PHE  29           HE2      PHE  29   3.229   5.720   2.450
  222    HZ   PHE  29           HZ       PHE  29   4.211   4.468   4.371
  223    HA   PRO  30           HA       PRO  30   9.386   3.646  -4.456
  224    HB2  PRO  30           HB2      PRO  30  10.210   1.041  -3.970
  225    HB3  PRO  30           HB1      PRO  30  11.188   2.472  -3.619
  226    HG2  PRO  30           HG2      PRO  30   9.598   0.799  -1.778
  227    HG3  PRO  30           HG1      PRO  30  11.100   1.692  -1.488
  228    HD2  PRO  30           HD2      PRO  30   8.704   2.532  -0.592
  229    HD3  PRO  30           HD1      PRO  30  10.013   3.644  -1.022
  230    H    THR  31           HN       THR  31   7.247   1.271  -2.817
  231    HA   THR  31           HA       THR  31   5.876   0.870  -5.274
  232    HB   THR  31           HB       THR  31   7.717  -0.637  -5.664
  233    HG1  THR  31           HG1      THR  31   5.960  -2.575  -4.847
  234   HG21  THR  31          HG21      THR  31   8.588  -0.936  -3.457
  235   HG22  THR  31          HG22      THR  31   8.189  -2.550  -4.068
  236   HG23  THR  31          HG23      THR  31   7.120  -1.734  -2.922
  237    H    GLY  32           HN       GLY  32   4.129  -0.869  -4.888
  238    HA2  GLY  32           HA2      GLY  32   3.279  -1.072  -2.172
  239    HA3  GLY  32           HA1      GLY  32   2.225  -0.176  -3.280
  240    H    SER  33           HN       SER  33   1.648  -2.596  -2.028
  241    HA   SER  33           HA       SER  33   0.865  -4.173  -4.269
  242    HB2  SER  33           HB2      SER  33   2.984  -5.010  -2.384
  243    HB3  SER  33           HB1      SER  33   2.014  -6.280  -3.149
  244    HG   SER  33           HG       SER  33   3.019  -4.244  -4.718
  245    H    CYS  34           HN       CYS  34  -0.740  -5.773  -3.669
  246    HA   CYS  34           HA       CYS  34  -2.337  -4.679  -1.549
  247    HB2  CYS  34           HB2      CYS  34  -2.991  -6.809  -3.554
  248    HB3  CYS  34           HB1      CYS  34  -4.127  -5.902  -2.562
  249    H    ASP  35           HN       ASP  35  -3.155  -5.748   0.181
  250    HA   ASP  35           HA       ASP  35  -2.577  -8.524   0.736
  251    HB2  ASP  35           HB2      ASP  35  -0.565  -7.122   1.456
  252    HB3  ASP  35           HB1      ASP  35  -1.646  -6.268   2.492
  253    H    PHE  36           HN       PHE  36  -3.507  -8.500   3.498
  254    HA   PHE  36           HA       PHE  36  -6.173  -7.318   3.172
  255    HB2  PHE  36           HB2      PHE  36  -6.038  -9.711   2.418
  256    HB3  PHE  36           HB1      PHE  36  -5.551 -10.140   4.039
  257    HD1  PHE  36           HD1      PHE  36  -7.447  -8.861   5.812
  258    HD2  PHE  36           HD2      PHE  36  -8.071 -10.455   1.930
  259    HE1  PHE  36           HE1      PHE  36  -9.795  -9.346   6.399
  260    HE2  PHE  36           HE2      PHE  36 -10.435 -10.909   2.487
  261    HZ   PHE  36           HZ       PHE  36 -11.291 -10.362   4.729
  262    H    HIS  37           HN       HIS  37  -6.608  -6.152   4.999
  263    HA   HIS  37           HA       HIS  37  -6.348  -7.518   7.528
  264    HB2  HIS  37           HB2      HIS  37  -5.232  -5.784   8.774
  265    HB3  HIS  37           HB1      HIS  37  -4.349  -5.943   7.269
  266    HD1  HIS  37           HD1      HIS  37  -3.635  -3.982   6.328
  267    HD2  HIS  37           HD2      HIS  37  -6.989  -3.389   8.542
  268    HE1  HIS  37           HE1      HIS  37  -4.111  -1.476   6.189
  269    HE2  HIS  37           HE2      HIS  37  -5.776  -1.202   8.062
  270    H    VAL  38           HN       VAL  38  -8.263  -6.532   5.440
  271    HA   VAL  38           HA       VAL  38 -10.201  -5.410   7.190
  272    HB   VAL  38           HB       VAL  38 -10.782  -3.682   5.289
  273   HG11  VAL  38          HG11      VAL  38  -8.355  -3.194   7.017
  274   HG12  VAL  38          HG12      VAL  38 -10.028  -3.004   7.544
  275   HG13  VAL  38          HG13      VAL  38  -9.369  -1.952   6.289
  276   HG21  VAL  38          HG21      VAL  38  -8.879  -2.875   3.992
  277   HG22  VAL  38          HG22      VAL  38  -9.068  -4.617   3.699
  278   HG23  VAL  38          HG23      VAL  38  -7.836  -4.021   4.811
  279    H    ALA  39           HN       ALA  39 -12.305  -5.567   6.213
  280    HA   ALA  39           HA       ALA  39 -12.592  -7.846   4.543
  281    HB1  ALA  39           HB1      ALA  39 -14.681  -5.861   5.478
  282    HB2  ALA  39           HB2      ALA  39 -14.233  -7.348   6.315
  283    HB3  ALA  39           HB3      ALA  39 -15.008  -7.426   4.731
  284    H    GLY  40           HN       GLY  40 -11.479  -7.256   2.812
  285    HA2  GLY  40           HA2      GLY  40 -12.654  -6.563   0.533
  286    HA3  GLY  40           HA1      GLY  40 -12.143  -5.004   1.199
  287    H    ARG  41           HN       ARG  41 -10.386  -4.500   0.012
  288    HA   ARG  41           HA       ARG  41  -8.150  -6.324   0.279
  289    HB2  ARG  41           HB2      ARG  41  -9.167  -5.248  -2.341
  290    HB3  ARG  41           HB1      ARG  41  -7.485  -5.780  -2.109
  291    HG2  ARG  41           HG2      ARG  41  -8.139  -7.780  -1.470
  292    HG3  ARG  41           HG1      ARG  41  -9.895  -7.511  -1.543
  293    HD2  ARG  41           HD2      ARG  41  -9.363  -8.760  -3.509
  294    HD3  ARG  41           HD1      ARG  41  -9.381  -7.093  -4.073
  295    HE   ARG  41           HE       ARG  41  -6.915  -7.147  -3.769
  296   HH11  ARG  41          HH11      ARG  41  -8.648 -10.184  -4.390
  297   HH12  ARG  41          HH12      ARG  41  -7.361 -10.920  -5.219
  298   HH21  ARG  41          HH21      ARG  41  -5.162  -8.140  -4.929
  299   HH22  ARG  41          HH22      ARG  41  -5.293  -9.710  -5.545
  300    H    LYS  42           HN       LYS  42  -6.416  -5.366   1.004
  301    HA   LYS  42           HA       LYS  42  -6.539  -2.447   1.074
  302    HB2  LYS  42           HB2      LYS  42  -6.755  -3.524   3.266
  303    HB3  LYS  42           HB1      LYS  42  -5.241  -4.355   3.068
  304    HG2  LYS  42           HG2      LYS  42  -5.054  -2.457   4.560
  305    HG3  LYS  42           HG1      LYS  42  -4.046  -2.242   3.134
  306    HD2  LYS  42           HD2      LYS  42  -5.513  -0.626   2.226
  307    HD3  LYS  42           HD1      LYS  42  -6.798  -0.998   3.393
  308    HE2  LYS  42           HE2      LYS  42  -5.516  -0.095   5.157
  309    HE3  LYS  42           HE1      LYS  42  -4.085   0.099   4.153
  310    HZ1  LYS  42           HZ1      LYS  42  -5.470   1.734   2.771
  311    HZ2  LYS  42           HZ2      LYS  42  -4.988   2.252   4.243
  312    HZ3  LYS  42           HZ3      LYS  42  -6.603   1.763   4.030
  313    H    CYS  43           HN       CYS  43  -4.773  -1.285   0.676
  314    HA   CYS  43           HA       CYS  43  -2.695  -2.494  -0.915
  315    HB2  CYS  43           HB2      CYS  43  -3.880  -0.531  -1.713
  316    HB3  CYS  43           HB1      CYS  43  -3.492   0.327  -0.240
  317    H    TYR  44           HN       TYR  44  -0.584  -2.575  -0.228
  318    HA   TYR  44           HA       TYR  44   0.100  -1.189   2.221
  319    HB2  TYR  44           HB2      TYR  44   0.797  -3.983   1.404
  320    HB3  TYR  44           HB1      TYR  44   1.734  -3.066   2.569
  321    HD1  TYR  44           HD1      TYR  44   1.185  -3.177   4.807
  322    HD2  TYR  44           HD2      TYR  44  -1.682  -4.290   1.908
  323    HE1  TYR  44           HE1      TYR  44  -0.238  -4.086   6.576
  324    HE2  TYR  44           HE2      TYR  44  -3.124  -5.177   3.674
  325    HH   TYR  44           HH       TYR  44  -2.610  -6.182   5.925
  326    H    CYS  45           HN       CYS  45   1.968  -0.304   2.158
  327    HA   CYS  45           HA       CYS  45   3.219  -0.077  -0.405
  328    HB2  CYS  45           HB2      CYS  45   3.560   1.461   2.155
  329    HB3  CYS  45           HB1      CYS  45   4.234   1.909   0.631
  330    H    TYR  46           HN       TYR  46   5.229  -0.748  -0.739
  331    HA   TYR  46           HA       TYR  46   6.467  -2.176   1.467
  332    HB2  TYR  46           HB2      TYR  46   6.486  -2.716  -1.466
  333    HB3  TYR  46           HB1      TYR  46   7.687  -3.428  -0.401
  334    HD1  TYR  46           HD1      TYR  46   7.254  -5.477   0.496
  335    HD2  TYR  46           HD2      TYR  46   3.924  -3.152  -0.771
  336    HE1  TYR  46           HE1      TYR  46   5.784  -7.338   0.980
  337    HE2  TYR  46           HE2      TYR  46   2.445  -4.958  -0.273
  338    HH   TYR  46           HH       TYR  46   2.557  -7.462  -0.104
  339    H    LYS  47           HN       LYS  47   8.393  -1.781   2.058
  340    HA   LYS  47           HA       LYS  47  10.041  -0.094   0.425
  341    HB2  LYS  47           HB2      LYS  47  10.605   1.351   2.457
  342    HB3  LYS  47           HB1      LYS  47   9.075   1.644   1.657
  343    HG2  LYS  47           HG2      LYS  47   7.905   0.434   3.428
  344    HG3  LYS  47           HG1      LYS  47   9.442   0.069   4.210
  345    HD2  LYS  47           HD2      LYS  47   9.852   2.396   4.642
  346    HD3  LYS  47           HD1      LYS  47   8.452   2.869   3.682
  347    HE2  LYS  47           HE2      LYS  47   7.977   2.999   6.090
  348    HE3  LYS  47           HE1      LYS  47   6.968   1.794   5.299
  349    HZ1  LYS  47           HZ1      LYS  47   9.395   1.228   6.906
  350    HZ2  LYS  47           HZ2      LYS  47   8.429   0.089   6.087
  351    HZ3  LYS  47           HZ3      LYS  47   7.772   0.977   7.351
  352    HA   PRO  48           HA       PRO  48  13.023  -3.000   1.769
  353    HB2  PRO  48           HB2      PRO  48  15.235  -1.701   0.911
  354    HB3  PRO  48           HB1      PRO  48  14.102  -2.463  -0.225
  355    HG2  PRO  48           HG2      PRO  48  14.347   0.403   0.518
  356    HG3  PRO  48           HG1      PRO  48  14.074  -0.332  -1.075
  357    HD2  PRO  48           HD2      PRO  48  12.037   0.737   0.373
  358    HD3  PRO  48           HD1      PRO  48  11.843  -0.651  -0.715
  359    H    CYS  49           HN       CYS  49  13.367  -3.233   3.743
  360    HA   CYS  49           HA       CYS  49  15.012  -1.316   5.233
  361    HB2  CYS  49           HB2      CYS  49  13.970  -2.681   7.211
  362    HB3  CYS  49           HB1      CYS  49  12.994  -1.429   6.451
  363    HA   PRO  50           HA       PRO  50  18.148  -4.413   5.217
  364    HB2  PRO  50           HB2      PRO  50  18.824  -4.655   7.904
  365    HB3  PRO  50           HB1      PRO  50  19.439  -3.376   6.837
  366    HG2  PRO  50           HG2      PRO  50  17.223  -3.256   8.804
  367    HG3  PRO  50           HG1      PRO  50  18.443  -2.033   8.398
  368    HD2  PRO  50           HD2      PRO  50  15.944  -1.835   7.485
  369    HD3  PRO  50           HD1      PRO  50  17.334  -1.346   6.500
  Start of MODEL   14
    1    H1   ARG   1           HT1      ARG   1  15.156  -5.220   4.201
    2    H2   ARG   1           HT2      ARG   1  15.270  -6.673   3.364
    3    H3   ARG   1           HT3      ARG   1  15.714  -6.517   5.015
    4    HA   ARG   1           HA       ARG   1  13.388  -7.481   4.618
    5    HB2  ARG   1           HB2      ARG   1  13.933  -5.069   6.329
    6    HB3  ARG   1           HB1      ARG   1  12.404  -5.924   6.385
    7    HG2  ARG   1           HG2      ARG   1  13.454  -7.891   7.221
    8    HG3  ARG   1           HG1      ARG   1  15.061  -7.216   6.931
    9    HD2  ARG   1           HD2      ARG   1  14.729  -5.531   8.577
   10    HD3  ARG   1           HD1      ARG   1  13.044  -5.964   8.776
   11    HE   ARG   1           HE       ARG   1  13.680  -7.993   9.824
   12   HH11  ARG   1          HH11      ARG   1  16.462  -5.855   9.281
   13   HH12  ARG   1          HH12      ARG   1  17.390  -6.438  10.553
   14   HH21  ARG   1          HH21      ARG   1  14.980  -8.859  11.636
   15   HH22  ARG   1          HH22      ARG   1  16.525  -8.204  11.936
   16    H    MET   2           HN       MET   2  11.197  -6.956   4.350
   17    HA   MET   2           HA       MET   2  10.691  -4.662   2.581
   18    HB2  MET   2           HB2      MET   2   9.391  -7.385   2.751
   19    HB3  MET   2           HB1      MET   2   8.721  -6.032   1.854
   20    HG2  MET   2           HG2      MET   2  10.634  -5.981   0.412
   21    HG3  MET   2           HG1      MET   2  11.413  -7.241   1.368
   22    HE1  MET   2           HE1      MET   2  11.035  -7.356  -1.833
   23    HE2  MET   2           HE2      MET   2  10.543  -9.038  -2.044
   24    HE3  MET   2           HE3      MET   2  11.828  -8.631  -0.906
   25    H    CYS   3           HN       CYS   3  10.134  -3.207   3.866
   26    HA   CYS   3           HA       CYS   3   8.495  -3.722   6.154
   27    HB2  CYS   3           HB2      CYS   3   9.823  -1.347   4.965
   28    HB3  CYS   3           HB1      CYS   3   8.594  -1.102   6.190
   29    H    LYS   4           HN       LYS   4   6.449  -4.032   5.960
   30    HA   LYS   4           HA       LYS   4   4.985  -2.914   3.716
   31    HB2  LYS   4           HB2      LYS   4   4.843  -5.366   4.370
   32    HB3  LYS   4           HB1      LYS   4   4.014  -4.854   5.832
   33    HG2  LYS   4           HG2      LYS   4   2.199  -3.918   4.491
   34    HG3  LYS   4           HG1      LYS   4   3.086  -4.316   3.035
   35    HD2  LYS   4           HD2      LYS   4   1.391  -5.955   3.322
   36    HD3  LYS   4           HD1      LYS   4   2.943  -6.703   3.629
   37    HE2  LYS   4           HE2      LYS   4   2.576  -6.543   6.046
   38    HE3  LYS   4           HE1      LYS   4   1.019  -5.766   5.760
   39    HZ1  LYS   4           HZ1      LYS   4   0.815  -8.182   6.216
   40    HZ2  LYS   4           HZ2      LYS   4   1.671  -8.513   4.788
   41    HZ3  LYS   4           HZ3      LYS   4   0.194  -7.769   4.728
   42    H    THR   5           HN       THR   5   4.166  -0.994   4.018
   43    HA   THR   5           HA       THR   5   3.374  -0.043   6.679
   44    HB   THR   5           HB       THR   5   4.170   1.345   4.135
   45    HG1  THR   5           HG1      THR   5   5.592   0.172   5.826
   46   HG21  THR   5          HG21      THR   5   2.618   2.718   5.372
   47   HG22  THR   5          HG22      THR   5   4.239   3.402   5.437
   48   HG23  THR   5          HG23      THR   5   3.582   2.550   6.852
   49    HA   PRO   6           HA       PRO   6  -0.798  -0.111   4.816
   50    HB2  PRO   6           HB2      PRO   6  -1.791   1.501   6.996
   51    HB3  PRO   6           HB1      PRO   6  -2.041  -0.232   6.690
   52    HG2  PRO   6           HG2      PRO   6  -0.586   0.751   8.788
   53    HG3  PRO   6           HG1      PRO   6  -0.405  -0.871   8.099
   54    HD2  PRO   6           HD2      PRO   6   1.316   1.531   7.709
   55    HD3  PRO   6           HD1      PRO   6   1.744  -0.192   7.769
   56    H    SER   7           HN       SER   7  -1.119   1.158   3.090
   57    HA   SER   7           HA       SER   7  -0.413   3.803   2.750
   58    HB2  SER   7           HB2      SER   7  -2.720   2.474   1.392
   59    HB3  SER   7           HB1      SER   7  -1.475   3.530   0.705
   60    HG   SER   7           HG       SER   7  -0.158   1.941   0.543
   61    H    GLY   8           HN       GLY   8  -1.682   5.719   2.771
   62    HA2  GLY   8           HA2      GLY   8  -3.994   5.518   4.583
   63    HA3  GLY   8           HA1      GLY   8  -2.890   6.878   4.516
   64    H    LYS   9           HN       LYS   9  -3.035   6.652   1.393
   65    HA   LYS   9           HA       LYS   9  -5.517   8.209   1.370
   66    HB2  LYS   9           HB2      LYS   9  -4.438   9.293  -0.680
   67    HB3  LYS   9           HB1      LYS   9  -3.829   9.785   0.916
   68    HG2  LYS   9           HG2      LYS   9  -1.900   9.457  -0.234
   69    HG3  LYS   9           HG1      LYS   9  -2.126   7.851   0.370
   70    HD2  LYS   9           HD2      LYS   9  -1.915   7.231  -1.656
   71    HD3  LYS   9           HD1      LYS   9  -3.609   7.768  -1.834
   72    HE2  LYS   9           HE2      LYS   9  -2.246   8.611  -3.631
   73    HE3  LYS   9           HE1      LYS   9  -2.744   9.960  -2.590
   74    HZ1  LYS   9           HZ1      LYS   9  -0.365  10.137  -3.122
   75    HZ2  LYS   9           HZ2      LYS   9  -0.115   8.566  -2.538
   76    HZ3  LYS   9           HZ3      LYS   9  -0.549   9.783  -1.477
   77    H    PHE  10           HN       PHE  10  -4.213   5.557   0.515
   78    HA   PHE  10           HA       PHE  10  -5.574   4.874  -1.895
   79    HB2  PHE  10           HB2      PHE  10  -3.856   3.411  -0.542
   80    HB3  PHE  10           HB1      PHE  10  -5.331   2.953   0.324
   81    HD1  PHE  10           HD1      PHE  10  -6.876   1.392  -0.550
   82    HD2  PHE  10           HD2      PHE  10  -3.805   3.037  -2.882
   83    HE1  PHE  10           HE1      PHE  10  -7.412  -0.232  -2.322
   84    HE2  PHE  10           HE2      PHE  10  -4.288   1.411  -4.726
   85    HZ   PHE  10           HZ       PHE  10  -6.115  -0.226  -4.421
   86    H    LYS  11           HN       LYS  11  -7.638   4.948  -2.147
   87    HA   LYS  11           HA       LYS  11  -9.428   4.226   0.070
   88    HB2  LYS  11           HB2      LYS  11  -9.987   6.455  -1.909
   89    HB3  LYS  11           HB1      LYS  11 -10.988   5.996  -0.548
   90    HG2  LYS  11           HG2      LYS  11  -8.231   7.227  -0.384
   91    HG3  LYS  11           HG1      LYS  11  -9.751   8.068  -0.112
   92    HD2  LYS  11           HD2      LYS  11  -8.768   5.730   1.542
   93    HD3  LYS  11           HD1      LYS  11  -8.526   7.417   1.975
   94    HE2  LYS  11           HE2      LYS  11 -11.207   6.078   1.594
   95    HE3  LYS  11           HE1      LYS  11 -10.440   6.411   3.145
   96    HZ1  LYS  11           HZ1      LYS  11 -10.496   8.754   2.647
   97    HZ2  LYS  11           HZ2      LYS  11 -12.063   8.109   2.577
   98    HZ3  LYS  11           HZ3      LYS  11 -11.216   8.456   1.146
   99    H    GLY  12           HN       GLY  12  -9.805   2.165  -0.762
  100    HA2  GLY  12           HA2      GLY  12 -11.906   1.627  -2.248
  101    HA3  GLY  12           HA1      GLY  12 -10.703   1.940  -3.494
  102    H    TYR  13           HN       TYR  13 -11.064  -0.245  -4.101
  103    HA   TYR  13           HA       TYR  13 -10.154  -2.336  -2.307
  104    HB2  TYR  13           HB2      TYR  13 -11.679  -2.232  -4.825
  105    HB3  TYR  13           HB1      TYR  13 -10.638  -3.630  -4.598
  106    HD1  TYR  13           HD1      TYR  13 -13.608  -1.856  -3.353
  107    HD2  TYR  13           HD2      TYR  13 -11.078  -5.234  -2.936
  108    HE1  TYR  13           HE1      TYR  13 -15.313  -2.953  -1.948
  109    HE2  TYR  13           HE2      TYR  13 -12.712  -6.342  -1.553
  110    HH   TYR  13           HH       TYR  13 -14.700  -5.657  -0.051
  111    H    CYS  14           HN       CYS  14  -8.156  -3.122  -2.312
  112    HA   CYS  14           HA       CYS  14  -6.413  -2.395  -4.497
  113    HB2  CYS  14           HB2      CYS  14  -5.755  -2.329  -1.988
  114    HB3  CYS  14           HB1      CYS  14  -5.610  -4.076  -2.126
  115    H    VAL  15           HN       VAL  15  -8.087  -3.786  -5.632
  116    HA   VAL  15           HA       VAL  15  -7.555  -6.555  -5.789
  117    HB   VAL  15           HB       VAL  15  -8.685  -6.491  -8.049
  118   HG11  VAL  15          HG11      VAL  15 -10.136  -5.143  -5.779
  119   HG12  VAL  15          HG12      VAL  15 -10.000  -6.878  -6.060
  120   HG13  VAL  15          HG13      VAL  15 -10.907  -5.870  -7.186
  121   HG21  VAL  15          HG21      VAL  15  -8.034  -4.236  -8.748
  122   HG22  VAL  15          HG22      VAL  15  -8.993  -3.542  -7.441
  123   HG23  VAL  15          HG23      VAL  15  -9.789  -4.405  -8.756
  124    H    ASN  16           HN       ASN  16  -6.174  -3.772  -7.311
  125    HA   ASN  16           HA       ASN  16  -4.315  -5.464  -8.827
  126    HB2  ASN  16           HB2      ASN  16  -5.638  -4.117 -10.326
  127    HB3  ASN  16           HB1      ASN  16  -5.334  -2.670  -9.377
  128   HD21  ASN  16          HD21      ASN  16  -4.565  -1.613 -11.211
  129   HD22  ASN  16          HD22      ASN  16  -3.024  -1.959 -11.901
  130    H    ASN  17           HN       ASN  17  -2.348  -5.506  -8.119
  131    HA   ASN  17           HA       ASN  17  -1.449  -4.000  -5.907
  132    HB2  ASN  17           HB2      ASN  17   0.157  -5.696  -7.831
  133    HB3  ASN  17           HB1      ASN  17   0.809  -4.983  -6.365
  134   HD21  ASN  17          HD21      ASN  17  -1.056  -7.554  -7.712
  135   HD22  ASN  17          HD22      ASN  17  -1.309  -8.390  -6.221
  136    H    THR  18           HN       THR  18  -1.093  -3.537  -9.346
  137    HA   THR  18           HA       THR  18   0.961  -1.617  -9.278
  138    HB   THR  18           HB       THR  18  -1.270  -1.900 -11.310
  139    HG1  THR  18           HG1      THR  18  -0.286  -3.707 -11.949
  140   HG21  THR  18          HG21      THR  18   1.623  -1.013 -11.562
  141   HG22  THR  18          HG22      THR  18   0.226   0.062 -11.599
  142   HG23  THR  18          HG23      THR  18   0.460  -1.124 -12.884
  143    H    ASN  19           HN       ASN  19  -2.491  -1.435  -8.516
  144    HA   ASN  19           HA       ASN  19  -2.801   1.395  -8.918
  145    HB2  ASN  19           HB2      ASN  19  -4.754  -0.224  -8.901
  146    HB3  ASN  19           HB1      ASN  19  -4.429  -0.496  -7.190
  147   HD21  ASN  19          HD21      ASN  19  -6.478   0.257  -6.546
  148   HD22  ASN  19          HD22      ASN  19  -6.851   1.940  -6.634
  149    H    CYS  20           HN       CYS  20  -2.401  -0.838  -6.242
  150    HA   CYS  20           HA       CYS  20  -2.180   0.823  -4.011
  151    HB2  CYS  20           HB2      CYS  20  -2.008  -1.805  -4.267
  152    HB3  CYS  20           HB1      CYS  20  -0.361  -1.461  -4.550
  153    H    LYS  21           HN       LYS  21   0.073  -0.368  -6.331
  154    HA   LYS  21           HA       LYS  21   2.349   0.314  -5.305
  155    HB2  LYS  21           HB2      LYS  21   1.534  -0.816  -7.585
  156    HB3  LYS  21           HB1      LYS  21   2.111   0.741  -8.181
  157    HG2  LYS  21           HG2      LYS  21   4.295   0.316  -7.443
  158    HG3  LYS  21           HG1      LYS  21   3.775  -1.178  -6.640
  159    HD2  LYS  21           HD2      LYS  21   3.089  -2.144  -8.724
  160    HD3  LYS  21           HD1      LYS  21   3.430  -0.643  -9.579
  161    HE2  LYS  21           HE2      LYS  21   5.160  -2.199  -9.981
  162    HE3  LYS  21           HE1      LYS  21   5.725  -0.849  -8.971
  163    HZ1  LYS  21           HZ1      LYS  21   5.636  -2.292  -7.017
  164    HZ2  LYS  21           HZ2      LYS  21   6.560  -3.055  -8.199
  165    HZ3  LYS  21           HZ3      LYS  21   4.970  -3.541  -7.939
  166    H    ASN  22           HN       ASN  22   0.353   2.061  -7.695
  167    HA   ASN  22           HA       ASN  22   1.993   4.339  -8.027
  168    HB2  ASN  22           HB2      ASN  22  -0.956   3.981  -8.579
  169    HB3  ASN  22           HB1      ASN  22  -0.030   5.399  -9.047
  170   HD21  ASN  22          HD21      ASN  22  -1.442   3.536 -10.723
  171   HD22  ASN  22          HD22      ASN  22  -0.276   2.861 -11.808
  172    H    VAL  23           HN       VAL  23  -0.788   3.688  -6.030
  173    HA   VAL  23           HA       VAL  23  -1.132   6.203  -4.919
  174    HB   VAL  23           HB       VAL  23  -1.695   3.436  -3.821
  175   HG11  VAL  23          HG11      VAL  23  -3.013   4.481  -2.052
  176   HG12  VAL  23          HG12      VAL  23  -2.795   6.030  -2.792
  177   HG13  VAL  23          HG13      VAL  23  -1.415   5.235  -2.035
  178   HG21  VAL  23          HG21      VAL  23  -4.022   4.099  -4.401
  179   HG22  VAL  23          HG22      VAL  23  -2.940   3.984  -5.784
  180   HG23  VAL  23          HG23      VAL  23  -3.365   5.573  -5.108
  181    H    CYS  24           HN       CYS  24   0.712   3.463  -3.658
  182    HA   CYS  24           HA       CYS  24   1.892   4.753  -1.492
  183    HB2  CYS  24           HB2      CYS  24   2.624   2.326  -3.094
  184    HB3  CYS  24           HB1      CYS  24   3.547   2.770  -1.675
  185    H    ARG  25           HN       ARG  25   2.956   4.413  -4.822
  186    HA   ARG  25           HA       ARG  25   5.496   5.535  -4.442
  187    HB2  ARG  25           HB2      ARG  25   3.776   5.385  -6.918
  188    HB3  ARG  25           HB1      ARG  25   5.457   5.923  -6.930
  189    HG2  ARG  25           HG2      ARG  25   6.266   3.815  -6.289
  190    HG3  ARG  25           HG1      ARG  25   4.677   3.275  -5.760
  191    HD2  ARG  25           HD2      ARG  25   5.086   2.162  -7.784
  192    HD3  ARG  25           HD1      ARG  25   3.958   3.480  -8.139
  193    HE   ARG  25           HE       ARG  25   6.777   3.862  -8.502
  194   HH11  ARG  25          HH11      ARG  25   3.561   3.526 -10.061
  195   HH12  ARG  25          HH12      ARG  25   4.077   3.995 -11.582
  196   HH21  ARG  25          HH21      ARG  25   7.494   4.521 -10.688
  197   HH22  ARG  25          HH22      ARG  25   6.383   4.575 -11.974
  198    H    THR  26           HN       THR  26   2.355   6.913  -4.862
  199    HA   THR  26           HA       THR  26   3.343   9.622  -5.104
  200    HB   THR  26           HB       THR  26   0.475   8.755  -4.578
  201    HG1  THR  26           HG1      THR  26   1.452   7.740  -6.507
  202   HG21  THR  26          HG21      THR  26  -0.094  10.839  -5.741
  203   HG22  THR  26          HG22      THR  26   1.618  11.188  -5.971
  204   HG23  THR  26          HG23      THR  26   0.935  11.170  -4.346
  205    H    GLU  27           HN       GLU  27   2.608   7.440  -2.462
  206    HA   GLU  27           HA       GLU  27   2.336   9.574  -0.531
  207    HB2  GLU  27           HB2      GLU  27   2.549   6.566  -0.156
  208    HB3  GLU  27           HB1      GLU  27   2.287   7.716   1.155
  209    HG2  GLU  27           HG2      GLU  27   0.216   8.416   0.157
  210    HG3  GLU  27           HG1      GLU  27   0.523   7.351  -1.216
  211    H    GLY  28           HN       GLY  28   4.805   7.617  -1.864
  212    HA2  GLY  28           HA2      GLY  28   7.046   8.732  -1.736
  213    HA3  GLY  28           HA1      GLY  28   6.748   8.852  -0.005
  214    H    PHE  29           HN       PHE  29   6.051   6.121  -2.126
  215    HA   PHE  29           HA       PHE  29   8.091   4.576  -0.702
  216    HB2  PHE  29           HB2      PHE  29   5.309   3.717  -1.465
  217    HB3  PHE  29           HB1      PHE  29   6.535   2.649  -0.799
  218    HD1  PHE  29           HD1      PHE  29   7.096   2.723   1.515
  219    HD2  PHE  29           HD2      PHE  29   4.232   5.376  -0.124
  220    HE1  PHE  29           HE1      PHE  29   6.360   3.280   3.765
  221    HE2  PHE  29           HE2      PHE  29   3.446   5.980   2.092
  222    HZ   PHE  29           HZ       PHE  29   4.510   4.939   4.094
  223    HA   PRO  30           HA       PRO  30   9.431   3.392  -4.757
  224    HB2  PRO  30           HB2      PRO  30  10.223   0.802  -4.171
  225    HB3  PRO  30           HB1      PRO  30  11.235   2.228  -3.902
  226    HG2  PRO  30           HG2      PRO  30   9.638   0.674  -1.958
  227    HG3  PRO  30           HG1      PRO  30  11.178   1.526  -1.741
  228    HD2  PRO  30           HD2      PRO  30   8.845   2.494  -0.819
  229    HD3  PRO  30           HD1      PRO  30  10.171   3.540  -1.357
  230    H    THR  31           HN       THR  31   7.273   1.192  -2.918
  231    HA   THR  31           HA       THR  31   5.843   0.653  -5.310
  232    HB   THR  31           HB       THR  31   7.624  -0.937  -5.621
  233    HG1  THR  31           HG1      THR  31   5.809  -2.733  -4.597
  234   HG21  THR  31          HG21      THR  31   8.548  -1.087  -3.421
  235   HG22  THR  31          HG22      THR  31   8.092  -2.731  -3.897
  236   HG23  THR  31          HG23      THR  31   7.078  -1.801  -2.784
  237    H    GLY  32           HN       GLY  32   4.046  -0.958  -4.758
  238    HA2  GLY  32           HA2      GLY  32   3.262  -0.962  -2.021
  239    HA3  GLY  32           HA1      GLY  32   2.213  -0.087  -3.157
  240    H    SER  33           HN       SER  33   1.559  -2.429  -1.782
  241    HA   SER  33           HA       SER  33   0.798  -4.102  -3.963
  242    HB2  SER  33           HB2      SER  33   2.830  -4.891  -1.955
  243    HB3  SER  33           HB1      SER  33   1.870  -6.164  -2.741
  244    HG   SER  33           HG       SER  33   2.919  -4.243  -4.365
  245    H    CYS  34           HN       CYS  34  -0.658  -5.897  -3.145
  246    HA   CYS  34           HA       CYS  34  -2.394  -4.570  -1.258
  247    HB2  CYS  34           HB2      CYS  34  -2.994  -6.864  -3.110
  248    HB3  CYS  34           HB1      CYS  34  -4.144  -5.883  -2.201
  249    H    ASP  35           HN       ASP  35  -3.574  -5.789   0.273
  250    HA   ASP  35           HA       ASP  35  -2.480  -8.325   1.191
  251    HB2  ASP  35           HB2      ASP  35  -1.131  -6.605   2.171
  252    HB3  ASP  35           HB1      ASP  35  -2.558  -5.717   2.654
  253    H    PHE  36           HN       PHE  36  -3.941  -9.279   2.759
  254    HA   PHE  36           HA       PHE  36  -6.592  -8.133   2.757
  255    HB2  PHE  36           HB2      PHE  36  -6.837  -9.930   1.239
  256    HB3  PHE  36           HB1      PHE  36  -5.771 -10.971   2.167
  257    HD1  PHE  36           HD1      PHE  36  -8.716  -9.009   3.464
  258    HD2  PHE  36           HD2      PHE  36  -7.080 -12.823   2.510
  259    HE1  PHE  36           HE1      PHE  36 -10.628 -10.065   4.524
  260    HE2  PHE  36           HE2      PHE  36  -9.022 -13.915   3.588
  261    HZ   PHE  36           HZ       PHE  36 -10.800 -12.538   4.596
  262    H    HIS  37           HN       HIS  37  -6.896  -7.510   4.643
  263    HA   HIS  37           HA       HIS  37  -6.532  -9.367   6.863
  264    HB2  HIS  37           HB2      HIS  37  -5.048  -7.962   8.111
  265    HB3  HIS  37           HB1      HIS  37  -4.574  -7.717   6.422
  266    HD1  HIS  37           HD1      HIS  37  -6.019  -5.907   9.279
  267    HD2  HIS  37           HD2      HIS  37  -5.073  -5.240   5.302
  268    HE1  HIS  37           HE1      HIS  37  -6.040  -3.408   8.977
  269    HE2  HIS  37           HE2      HIS  37  -4.817  -3.241   6.812
  270    H    VAL  38           HN       VAL  38  -8.587  -7.749   5.142
  271    HA   VAL  38           HA       VAL  38 -10.347  -6.992   7.248
  272    HB   VAL  38           HB       VAL  38 -10.846  -4.733   6.066
  273   HG11  VAL  38          HG11      VAL  38  -9.825  -4.754   8.277
  274   HG12  VAL  38          HG12      VAL  38  -9.099  -3.486   7.277
  275   HG13  VAL  38          HG13      VAL  38  -8.234  -4.990   7.551
  276   HG21  VAL  38          HG21      VAL  38  -8.992  -3.676   4.861
  277   HG22  VAL  38          HG22      VAL  38  -9.470  -5.164   4.027
  278   HG23  VAL  38          HG23      VAL  38  -8.034  -5.131   5.047
  279    H    ALA  39           HN       ALA  39 -12.506  -6.435   6.342
  280    HA   ALA  39           HA       ALA  39 -13.127  -8.223   4.219
  281    HB1  ALA  39           HB1      ALA  39 -14.890  -6.180   5.595
  282    HB2  ALA  39           HB2      ALA  39 -14.707  -7.866   6.079
  283    HB3  ALA  39           HB3      ALA  39 -15.449  -7.468   4.530
  284    H    GLY  40           HN       GLY  40 -11.807  -7.391   2.674
  285    HA2  GLY  40           HA2      GLY  40 -12.774  -6.053   0.601
  286    HA3  GLY  40           HA1      GLY  40 -12.144  -4.761   1.633
  287    H    ARG  41           HN       ARG  41 -10.393  -4.260   0.310
  288    HA   ARG  41           HA       ARG  41  -8.239  -6.199   0.494
  289    HB2  ARG  41           HB2      ARG  41  -9.107  -4.874  -2.084
  290    HB3  ARG  41           HB1      ARG  41  -7.532  -5.664  -1.807
  291    HG2  ARG  41           HG2      ARG  41  -8.478  -7.640  -1.452
  292    HG3  ARG  41           HG1      ARG  41 -10.174  -7.098  -1.440
  293    HD2  ARG  41           HD2      ARG  41  -9.831  -8.221  -3.500
  294    HD3  ARG  41           HD1      ARG  41  -9.636  -6.520  -3.913
  295    HE   ARG  41           HE       ARG  41  -7.199  -6.921  -3.695
  296   HH11  ARG  41          HH11      ARG  41  -9.319  -9.662  -4.489
  297   HH12  ARG  41          HH12      ARG  41  -8.162 -10.477  -5.423
  298   HH21  ARG  41          HH21      ARG  41  -5.621  -8.025  -4.994
  299   HH22  ARG  41          HH22      ARG  41  -5.974  -9.507  -5.736
  300    H    LYS  42           HN       LYS  42  -6.497  -5.244   1.354
  301    HA   LYS  42           HA       LYS  42  -6.636  -2.357   1.490
  302    HB2  LYS  42           HB2      LYS  42  -6.837  -3.519   3.641
  303    HB3  LYS  42           HB1      LYS  42  -5.364  -4.395   3.376
  304    HG2  LYS  42           HG2      LYS  42  -5.089  -2.557   4.959
  305    HG3  LYS  42           HG1      LYS  42  -4.069  -2.357   3.542
  306    HD2  LYS  42           HD2      LYS  42  -5.532  -0.670   2.657
  307    HD3  LYS  42           HD1      LYS  42  -6.717  -0.944   3.951
  308    HE2  LYS  42           HE2      LYS  42  -5.194  -0.198   5.571
  309    HE3  LYS  42           HE1      LYS  42  -3.871  -0.081   4.411
  310    HZ1  LYS  42           HZ1      LYS  42  -4.741   2.138   4.811
  311    HZ2  LYS  42           HZ2      LYS  42  -6.324   1.669   4.475
  312    HZ3  LYS  42           HZ3      LYS  42  -5.152   1.700   3.261
  313    H    CYS  43           HN       CYS  43  -4.935  -1.171   0.961
  314    HA   CYS  43           HA       CYS  43  -2.811  -2.362  -0.611
  315    HB2  CYS  43           HB2      CYS  43  -4.055  -0.534  -1.568
  316    HB3  CYS  43           HB1      CYS  43  -3.811   0.438  -0.137
  317    H    TYR  44           HN       TYR  44  -0.699  -2.324   0.046
  318    HA   TYR  44           HA       TYR  44   0.005  -0.760   2.373
  319    HB2  TYR  44           HB2      TYR  44   0.571  -3.645   1.841
  320    HB3  TYR  44           HB1      TYR  44   1.605  -2.659   2.862
  321    HD1  TYR  44           HD1      TYR  44   1.065  -2.290   5.094
  322    HD2  TYR  44           HD2      TYR  44  -1.822  -3.895   2.467
  323    HE1  TYR  44           HE1      TYR  44  -0.353  -2.817   7.010
  324    HE2  TYR  44           HE2      TYR  44  -3.272  -4.426   4.336
  325    HH   TYR  44           HH       TYR  44  -2.731  -4.941   6.815
  326    H    CYS  45           HN       CYS  45   1.931   0.049   2.263
  327    HA   CYS  45           HA       CYS  45   3.176   0.078  -0.334
  328    HB2  CYS  45           HB2      CYS  45   3.725   1.771   2.096
  329    HB3  CYS  45           HB1      CYS  45   4.246   2.080   0.477
  330    H    TYR  46           HN       TYR  46   5.255  -0.546  -0.641
  331    HA   TYR  46           HA       TYR  46   6.485  -1.902   1.625
  332    HB2  TYR  46           HB2      TYR  46   6.414  -2.659  -1.253
  333    HB3  TYR  46           HB1      TYR  46   7.630  -3.313  -0.168
  334    HD1  TYR  46           HD1      TYR  46   3.890  -3.021  -0.547
  335    HD2  TYR  46           HD2      TYR  46   7.182  -5.237   0.977
  336    HE1  TYR  46           HE1      TYR  46   2.376  -4.761   0.119
  337    HE2  TYR  46           HE2      TYR  46   5.685  -7.034   1.639
  338    HH   TYR  46           HH       TYR  46   2.469  -7.229   0.534
  339    H    LYS  47           HN       LYS  47   8.441  -1.485   2.138
  340    HA   LYS  47           HA       LYS  47  10.076  -0.042   0.271
  341    HB2  LYS  47           HB2      LYS  47  10.764   1.599   2.069
  342    HB3  LYS  47           HB1      LYS  47   9.159   1.815   1.397
  343    HG2  LYS  47           HG2      LYS  47   8.221   0.688   3.395
  344    HG3  LYS  47           HG1      LYS  47   9.845   0.584   4.070
  345    HD2  LYS  47           HD2      LYS  47  10.039   2.998   4.058
  346    HD3  LYS  47           HD1      LYS  47   8.449   3.145   3.311
  347    HE2  LYS  47           HE2      LYS  47   7.487   1.993   5.306
  348    HE3  LYS  47           HE1      LYS  47   9.084   2.047   6.047
  349    HZ1  LYS  47           HZ1      LYS  47   7.479   4.392   5.204
  350    HZ2  LYS  47           HZ2      LYS  47   9.017   4.467   5.905
  351    HZ3  LYS  47           HZ3      LYS  47   7.700   3.866   6.795
  352    HA   PRO  48           HA       PRO  48  13.037  -2.890   1.808
  353    HB2  PRO  48           HB2      PRO  48  15.240  -1.783   0.686
  354    HB3  PRO  48           HB1      PRO  48  14.031  -2.645  -0.290
  355    HG2  PRO  48           HG2      PRO  48  14.404   0.281   0.057
  356    HG3  PRO  48           HG1      PRO  48  13.999  -0.645  -1.406
  357    HD2  PRO  48           HD2      PRO  48  12.107   0.693   0.041
  358    HD3  PRO  48           HD1      PRO  48  11.786  -0.786  -0.882
  359    H    CYS  49           HN       CYS  49  13.289  -2.779   3.832
  360    HA   CYS  49           HA       CYS  49  15.028  -0.731   5.003
  361    HB2  CYS  49           HB2      CYS  49  14.006  -1.783   7.165
  362    HB3  CYS  49           HB1      CYS  49  13.012  -0.672   6.230
  363    HA   PRO  50           HA       PRO  50  18.144  -3.826   5.400
  364    HB2  PRO  50           HB2      PRO  50  18.394  -3.355   8.319
  365    HB3  PRO  50           HB1      PRO  50  19.616  -3.129   7.048
  366    HG2  PRO  50           HG2      PRO  50  18.521  -1.036   8.220
  367    HG3  PRO  50           HG1      PRO  50  18.870  -1.037   6.480
  368    HD2  PRO  50           HD2      PRO  50  16.250  -1.420   7.859
  369    HD3  PRO  50           HD1      PRO  50  16.636  -0.479   6.404
  Start of MODEL   15
    1    H1   ARG   1           HT1      ARG   1  15.259  -5.189   4.274
    2    H2   ARG   1           HT2      ARG   1  15.491  -6.564   3.336
    3    H3   ARG   1           HT3      ARG   1  15.824  -6.527   5.017
    4    HA   ARG   1           HA       ARG   1  13.577  -7.555   4.404
    5    HB2  ARG   1           HB2      ARG   1  13.904  -5.265   6.322
    6    HB3  ARG   1           HB1      ARG   1  12.409  -6.174   6.210
    7    HG2  ARG   1           HG2      ARG   1  13.492  -8.164   6.962
    8    HG3  ARG   1           HG1      ARG   1  15.080  -7.398   6.851
    9    HD2  ARG   1           HD2      ARG   1  14.540  -5.862   8.589
   10    HD3  ARG   1           HD1      ARG   1  12.869  -6.385   8.622
   11    HE   ARG   1           HE       ARG   1  13.530  -8.459   9.563
   12   HH11  ARG   1          HH11      ARG   1  16.232  -6.165   9.395
   13   HH12  ARG   1          HH12      ARG   1  17.080  -6.783  10.706
   14   HH21  ARG   1          HH21      ARG   1  14.715  -9.381  11.425
   15   HH22  ARG   1          HH22      ARG   1  16.194  -8.677  11.898
   16    H    MET   2           HN       MET   2  11.409  -7.149   3.987
   17    HA   MET   2           HA       MET   2  10.849  -4.727   2.408
   18    HB2  MET   2           HB2      MET   2   9.708  -7.523   2.309
   19    HB3  MET   2           HB1      MET   2   8.964  -6.142   1.521
   20    HG2  MET   2           HG2      MET   2  10.889  -5.840   0.134
   21    HG3  MET   2           HG1      MET   2  11.740  -7.131   0.980
   22    HE1  MET   2           HE1      MET   2  12.282  -8.300  -1.372
   23    HE2  MET   2           HE2      MET   2  11.448  -6.991  -2.209
   24    HE3  MET   2           HE3      MET   2  11.053  -8.668  -2.582
   25    H    CYS   3           HN       CYS   3  10.207  -3.407   3.776
   26    HA   CYS   3           HA       CYS   3   8.518  -4.143   5.964
   27    HB2  CYS   3           HB2      CYS   3   9.789  -1.658   4.975
   28    HB3  CYS   3           HB1      CYS   3   8.472  -1.508   6.113
   29    H    LYS   4           HN       LYS   4   6.470  -4.492   5.695
   30    HA   LYS   4           HA       LYS   4   5.055  -3.279   3.473
   31    HB2  LYS   4           HB2      LYS   4   4.897  -5.754   4.033
   32    HB3  LYS   4           HB1      LYS   4   4.067  -5.292   5.510
   33    HG2  LYS   4           HG2      LYS   4   2.264  -4.301   4.216
   34    HG3  LYS   4           HG1      LYS   4   3.135  -4.656   2.733
   35    HD2  LYS   4           HD2      LYS   4   1.426  -6.285   2.997
   36    HD3  LYS   4           HD1      LYS   4   2.987  -7.044   3.256
   37    HE2  LYS   4           HE2      LYS   4   2.655  -6.969   5.682
   38    HE3  LYS   4           HE1      LYS   4   1.115  -6.141   5.459
   39    HZ1  LYS   4           HZ1      LYS   4   0.233  -8.105   4.361
   40    HZ2  LYS   4           HZ2      LYS   4   0.787  -8.531   5.854
   41    HZ3  LYS   4           HZ3      LYS   4   1.704  -8.891   4.469
   42    H    THR   5           HN       THR   5   4.239  -1.364   3.847
   43    HA   THR   5           HA       THR   5   3.491  -0.519   6.552
   44    HB   THR   5           HB       THR   5   4.363   0.949   4.075
   45    HG1  THR   5           HG1      THR   5   5.739  -0.437   5.427
   46   HG21  THR   5          HG21      THR   5   2.915   2.333   5.449
   47   HG22  THR   5          HG22      THR   5   4.571   2.913   5.489
   48   HG23  THR   5          HG23      THR   5   3.914   2.019   6.882
   49    HA   PRO   6           HA       PRO   6  -0.696  -0.368   4.750
   50    HB2  PRO   6           HB2      PRO   6  -1.845   1.150   6.725
   51    HB3  PRO   6           HB1      PRO   6  -1.611  -0.606   6.840
   52    HG2  PRO   6           HG2      PRO   6  -0.038   1.575   8.084
   53    HG3  PRO   6           HG1      PRO   6  -0.422  -0.041   8.705
   54    HD2  PRO   6           HD2      PRO   6   2.008   0.620   7.658
   55    HD3  PRO   6           HD1      PRO   6   1.342  -1.025   7.637
   56    H    SER   7           HN       SER   7  -1.274   0.906   3.186
   57    HA   SER   7           HA       SER   7  -0.230   3.425   2.613
   58    HB2  SER   7           HB2      SER   7  -2.177   3.523   0.991
   59    HB3  SER   7           HB1      SER   7  -1.114   2.119   0.848
   60    HG   SER   7           HG       SER   7  -2.564   0.861   1.581
   61    H    GLY   8           HN       GLY   8  -1.009   5.471   2.798
   62    HA2  GLY   8           HA2      GLY   8  -2.871   5.835   5.014
   63    HA3  GLY   8           HA1      GLY   8  -1.715   7.011   4.422
   64    H    LYS   9           HN       LYS   9  -2.713   6.557   1.498
   65    HA   LYS   9           HA       LYS   9  -5.210   8.012   1.980
   66    HB2  LYS   9           HB2      LYS   9  -4.624   9.320  -0.044
   67    HB3  LYS   9           HB1      LYS   9  -3.769   9.794   1.453
   68    HG2  LYS   9           HG2      LYS   9  -2.141   9.842  -0.147
   69    HG3  LYS   9           HG1      LYS   9  -2.017   8.199   0.411
   70    HD2  LYS   9           HD2      LYS   9  -1.964   8.090  -1.935
   71    HD3  LYS   9           HD1      LYS   9  -3.528   7.518  -1.308
   72    HE2  LYS   9           HE2      LYS   9  -3.127  10.286  -2.414
   73    HE3  LYS   9           HE1      LYS   9  -3.607   8.916  -3.423
   74    HZ1  LYS   9           HZ1      LYS   9  -5.587  10.003  -2.852
   75    HZ2  LYS   9           HZ2      LYS   9  -5.099  10.277  -1.276
   76    HZ3  LYS   9           HZ3      LYS   9  -5.529   8.705  -1.739
   77    H    PHE  10           HN       PHE  10  -3.826   5.598   0.634
   78    HA   PHE  10           HA       PHE  10  -5.577   5.000  -1.528
   79    HB2  PHE  10           HB2      PHE  10  -3.580   3.562  -0.663
   80    HB3  PHE  10           HB1      PHE  10  -4.805   2.938   0.446
   81    HD1  PHE  10           HD1      PHE  10  -6.572   1.456  -0.300
   82    HD2  PHE  10           HD2      PHE  10  -3.790   3.193  -2.887
   83    HE1  PHE  10           HE1      PHE  10  -7.290  -0.127  -2.048
   84    HE2  PHE  10           HE2      PHE  10  -4.454   1.611  -4.726
   85    HZ   PHE  10           HZ       PHE  10  -6.229  -0.051  -4.276
   86    H    LYS  11           HN       LYS  11  -7.588   4.856  -1.518
   87    HA   LYS  11           HA       LYS  11  -9.050   3.857   0.803
   88    HB2  LYS  11           HB2      LYS  11 -10.729   5.682   0.318
   89    HB3  LYS  11           HB1      LYS  11  -9.207   6.170   1.069
   90    HG2  LYS  11           HG2      LYS  11  -8.331   6.874  -1.077
   91    HG3  LYS  11           HG1      LYS  11  -9.799   6.326  -1.878
   92    HD2  LYS  11           HD2      LYS  11  -9.577   8.400   0.200
   93    HD3  LYS  11           HD1      LYS  11  -9.687   8.696  -1.553
   94    HE2  LYS  11           HE2      LYS  11 -11.817   7.448   0.243
   95    HE3  LYS  11           HE1      LYS  11 -11.931   8.994  -0.588
   96    HZ1  LYS  11           HZ1      LYS  11 -13.166   7.264  -1.753
   97    HZ2  LYS  11           HZ2      LYS  11 -11.770   6.335  -1.923
   98    HZ3  LYS  11           HZ3      LYS  11 -11.892   7.822  -2.715
   99    H    GLY  12           HN       GLY  12  -9.336   1.884  -0.470
  100    HA2  GLY  12           HA2      GLY  12 -11.709   1.589  -1.732
  101    HA3  GLY  12           HA1      GLY  12 -10.570   1.968  -3.021
  102    H    TYR  13           HN       TYR  13 -11.197  -0.206  -3.698
  103    HA   TYR  13           HA       TYR  13 -10.221  -2.437  -2.161
  104    HB2  TYR  13           HB2      TYR  13 -11.951  -2.040  -4.470
  105    HB3  TYR  13           HB1      TYR  13 -10.868  -3.412  -4.644
  106    HD1  TYR  13           HD1      TYR  13 -11.128  -5.350  -3.345
  107    HD2  TYR  13           HD2      TYR  13 -13.628  -1.994  -2.639
  108    HE1  TYR  13           HE1      TYR  13 -12.574  -6.751  -1.990
  109    HE2  TYR  13           HE2      TYR  13 -15.121  -3.395  -1.261
  110    HH   TYR  13           HH       TYR  13 -15.684  -5.762  -0.960
  111    H    CYS  14           HN       CYS  14  -8.171  -3.050  -2.212
  112    HA   CYS  14           HA       CYS  14  -6.508  -2.294  -4.454
  113    HB2  CYS  14           HB2      CYS  14  -5.799  -2.245  -1.961
  114    HB3  CYS  14           HB1      CYS  14  -5.635  -3.990  -2.137
  115    H    VAL  15           HN       VAL  15  -8.045  -3.692  -5.650
  116    HA   VAL  15           HA       VAL  15  -7.661  -6.480  -5.774
  117    HB   VAL  15           HB       VAL  15  -8.393  -4.618  -8.057
  118   HG11  VAL  15          HG11      VAL  15  -8.771  -7.599  -7.783
  119   HG12  VAL  15          HG12      VAL  15  -7.674  -6.770  -8.891
  120   HG13  VAL  15          HG13      VAL  15  -9.416  -6.602  -9.089
  121   HG21  VAL  15          HG21      VAL  15 -10.171  -6.145  -6.151
  122   HG22  VAL  15          HG22      VAL  15 -10.721  -5.223  -7.551
  123   HG23  VAL  15          HG23      VAL  15  -9.945  -4.396  -6.202
  124    H    ASN  16           HN       ASN  16  -6.229  -3.896  -7.730
  125    HA   ASN  16           HA       ASN  16  -4.179  -5.779  -8.698
  126    HB2  ASN  16           HB2      ASN  16  -5.573  -4.516 -10.370
  127    HB3  ASN  16           HB1      ASN  16  -4.901  -3.020  -9.743
  128   HD21  ASN  16          HD21      ASN  16  -4.728  -3.898 -12.441
  129   HD22  ASN  16          HD22      ASN  16  -3.068  -4.152 -12.807
  130    H    ASN  17           HN       ASN  17  -2.236  -5.639  -7.984
  131    HA   ASN  17           HA       ASN  17  -1.297  -4.061  -5.899
  132    HB2  ASN  17           HB2      ASN  17   0.250  -5.534  -8.038
  133    HB3  ASN  17           HB1      ASN  17   0.983  -4.839  -6.601
  134   HD21  ASN  17          HD21      ASN  17   0.730  -7.642  -7.600
  135   HD22  ASN  17          HD22      ASN  17   0.006  -8.490  -6.279
  136    H    THR  18           HN       THR  18  -1.230  -3.485  -9.333
  137    HA   THR  18           HA       THR  18   0.741  -1.488  -9.473
  138    HB   THR  18           HB       THR  18  -1.707  -1.876 -11.216
  139    HG1  THR  18           HG1      THR  18  -0.757  -3.782 -11.354
  140   HG21  THR  18          HG21      THR  18   1.034  -0.740 -11.857
  141   HG22  THR  18          HG22      THR  18  -0.448   0.203 -11.671
  142   HG23  THR  18          HG23      THR  18  -0.304  -0.957 -12.992
  143    H    ASN  19           HN       ASN  19  -2.698  -1.356  -8.473
  144    HA   ASN  19           HA       ASN  19  -2.981   1.483  -8.807
  145    HB2  ASN  19           HB2      ASN  19  -4.948  -0.116  -8.801
  146    HB3  ASN  19           HB1      ASN  19  -4.612  -0.418  -7.096
  147   HD21  ASN  19          HD21      ASN  19  -6.668   0.345  -6.472
  148   HD22  ASN  19          HD22      ASN  19  -7.017   2.037  -6.517
  149    H    CYS  20           HN       CYS  20  -2.446  -0.821  -6.226
  150    HA   CYS  20           HA       CYS  20  -2.192   0.793  -3.957
  151    HB2  CYS  20           HB2      CYS  20  -1.949  -1.830  -4.237
  152    HB3  CYS  20           HB1      CYS  20  -0.339  -1.420  -4.637
  153    H    LYS  21           HN       LYS  21  -0.007  -0.337  -6.357
  154    HA   LYS  21           HA       LYS  21   2.299   0.392  -5.431
  155    HB2  LYS  21           HB2      LYS  21   1.384  -0.729  -7.696
  156    HB3  LYS  21           HB1      LYS  21   1.960   0.828  -8.287
  157    HG2  LYS  21           HG2      LYS  21   4.152   0.383  -7.635
  158    HG3  LYS  21           HG1      LYS  21   3.661  -1.097  -6.788
  159    HD2  LYS  21           HD2      LYS  21   2.883  -2.079  -8.838
  160    HD3  LYS  21           HD1      LYS  21   3.236  -0.596  -9.723
  161    HE2  LYS  21           HE2      LYS  21   4.927  -2.199 -10.127
  162    HE3  LYS  21           HE1      LYS  21   5.528  -0.830  -9.160
  163    HZ1  LYS  21           HZ1      LYS  21   6.335  -3.047  -8.363
  164    HZ2  LYS  21           HZ2      LYS  21   4.736  -3.466  -8.008
  165    HZ3  LYS  21           HZ3      LYS  21   5.483  -2.209  -7.177
  166    H    ASN  22           HN       ASN  22   0.177   2.106  -7.728
  167    HA   ASN  22           HA       ASN  22   1.758   4.398  -8.122
  168    HB2  ASN  22           HB2      ASN  22  -1.221   4.025  -8.489
  169    HB3  ASN  22           HB1      ASN  22  -0.342   5.465  -8.988
  170   HD21  ASN  22          HD21      ASN  22  -1.852   3.605 -10.592
  171   HD22  ASN  22          HD22      ASN  22  -0.756   2.963 -11.763
  172    H    VAL  23           HN       VAL  23  -0.938   3.761  -5.956
  173    HA   VAL  23           HA       VAL  23  -1.066   6.323  -4.852
  174    HB   VAL  23           HB       VAL  23  -1.835   3.661  -3.626
  175   HG11  VAL  23          HG11      VAL  23  -3.274   4.981  -2.104
  176   HG12  VAL  23          HG12      VAL  23  -2.677   6.449  -2.809
  177   HG13  VAL  23          HG13      VAL  23  -1.586   5.422  -1.899
  178   HG21  VAL  23          HG21      VAL  23  -3.345   5.694  -5.244
  179   HG22  VAL  23          HG22      VAL  23  -4.132   4.497  -4.247
  180   HG23  VAL  23          HG23      VAL  23  -3.110   3.962  -5.596
  181    H    CYS  24           HN       CYS  24   0.637   3.436  -3.693
  182    HA   CYS  24           HA       CYS  24   1.905   4.629  -1.511
  183    HB2  CYS  24           HB2      CYS  24   2.633   2.261  -3.223
  184    HB3  CYS  24           HB1      CYS  24   3.530   2.638  -1.768
  185    H    ARG  25           HN       ARG  25   2.854   4.435  -4.883
  186    HA   ARG  25           HA       ARG  25   5.423   5.541  -4.517
  187    HB2  ARG  25           HB2      ARG  25   3.675   5.364  -6.970
  188    HB3  ARG  25           HB1      ARG  25   5.339   5.946  -7.006
  189    HG2  ARG  25           HG2      ARG  25   6.220   3.860  -6.420
  190    HG3  ARG  25           HG1      ARG  25   4.671   3.278  -5.817
  191    HD2  ARG  25           HD2      ARG  25   5.053   2.178  -7.874
  192    HD3  ARG  25           HD1      ARG  25   3.822   3.416  -8.136
  193    HE   ARG  25           HE       ARG  25   6.590   3.958  -8.713
  194   HH11  ARG  25          HH11      ARG  25   3.257   3.578  -9.966
  195   HH12  ARG  25          HH12      ARG  25   3.593   4.138 -11.502
  196   HH21  ARG  25          HH21      ARG  25   7.066   4.754 -10.921
  197   HH22  ARG  25          HH22      ARG  25   5.831   4.826 -12.087
  198    H    THR  26           HN       THR  26   2.258   6.899  -4.798
  199    HA   THR  26           HA       THR  26   3.129   9.618  -5.133
  200    HB   THR  26           HB       THR  26   0.448   8.575  -4.152
  201    HG1  THR  26           HG1      THR  26   1.121   7.784  -6.275
  202   HG21  THR  26          HG21      THR  26   0.794  10.980  -3.756
  203   HG22  THR  26          HG22      THR  26  -0.430  10.713  -4.995
  204   HG23  THR  26          HG23      THR  26   1.201  11.202  -5.458
  205    H    GLU  27           HN       GLU  27   2.188   7.500  -2.438
  206    HA   GLU  27           HA       GLU  27   2.256   9.494  -0.428
  207    HB2  GLU  27           HB2      GLU  27   2.417   6.471  -0.183
  208    HB3  GLU  27           HB1      GLU  27   2.236   7.566   1.184
  209    HG2  GLU  27           HG2      GLU  27   0.122   8.367   0.223
  210    HG3  GLU  27           HG1      GLU  27   0.313   7.206  -1.090
  211    H    GLY  28           HN       GLY  28   4.684   7.567  -1.887
  212    HA2  GLY  28           HA2      GLY  28   6.930   8.702  -1.792
  213    HA3  GLY  28           HA1      GLY  28   6.672   8.804  -0.057
  214    H    PHE  29           HN       PHE  29   5.826   6.019  -1.960
  215    HA   PHE  29           HA       PHE  29   7.974   4.530  -0.632
  216    HB2  PHE  29           HB2      PHE  29   5.220   3.637  -1.441
  217    HB3  PHE  29           HB1      PHE  29   6.457   2.579  -0.775
  218    HD1  PHE  29           HD1      PHE  29   6.948   2.588   1.542
  219    HD2  PHE  29           HD2      PHE  29   4.124   5.295  -0.083
  220    HE1  PHE  29           HE1      PHE  29   6.146   3.063   3.786
  221    HE2  PHE  29           HE2      PHE  29   3.283   5.818   2.145
  222    HZ   PHE  29           HZ       PHE  29   4.295   4.701   4.126
  223    HA   PRO  30           HA       PRO  30   9.416   3.409  -4.668
  224    HB2  PRO  30           HB2      PRO  30  10.166   0.791  -4.089
  225    HB3  PRO  30           HB1      PRO  30  11.195   2.205  -3.833
  226    HG2  PRO  30           HG2      PRO  30   9.620   0.661  -1.877
  227    HG3  PRO  30           HG1      PRO  30  11.135   1.556  -1.660
  228    HD2  PRO  30           HD2      PRO  30   8.753   2.453  -0.763
  229    HD3  PRO  30           HD1      PRO  30  10.067   3.532  -1.255
  230    H    THR  31           HN       THR  31   7.235   1.157  -2.942
  231    HA   THR  31           HA       THR  31   5.824   0.697  -5.369
  232    HB   THR  31           HB       THR  31   7.623  -0.878  -5.719
  233    HG1  THR  31           HG1      THR  31   5.703  -2.655  -4.783
  234   HG21  THR  31          HG21      THR  31   8.057  -2.737  -4.068
  235   HG22  THR  31          HG22      THR  31   7.019  -1.856  -2.928
  236   HG23  THR  31          HG23      THR  31   8.498  -1.123  -3.511
  237    H    GLY  32           HN       GLY  32   4.043  -1.003  -4.889
  238    HA2  GLY  32           HA2      GLY  32   3.245  -1.113  -2.171
  239    HA3  GLY  32           HA1      GLY  32   2.197  -0.200  -3.276
  240    H    SER  33           HN       SER  33   1.612  -2.590  -1.973
  241    HA   SER  33           HA       SER  33   0.841  -4.237  -4.196
  242    HB2  SER  33           HB2      SER  33   2.821  -4.973  -2.131
  243    HB3  SER  33           HB1      SER  33   1.858  -6.297  -2.809
  244    HG   SER  33           HG       SER  33   3.649  -6.181  -4.020
  245    H    CYS  34           HN       CYS  34  -0.774  -5.899  -3.439
  246    HA   CYS  34           HA       CYS  34  -2.419  -4.586  -1.464
  247    HB2  CYS  34           HB2      CYS  34  -3.079  -6.754  -3.441
  248    HB3  CYS  34           HB1      CYS  34  -4.224  -5.858  -2.446
  249    H    ASP  35           HN       ASP  35  -3.531  -5.734   0.128
  250    HA   ASP  35           HA       ASP  35  -2.539  -8.354   0.932
  251    HB2  ASP  35           HB2      ASP  35  -1.062  -6.692   1.873
  252    HB3  ASP  35           HB1      ASP  35  -2.439  -5.783   2.459
  253    H    PHE  36           HN       PHE  36  -3.965  -9.216   2.659
  254    HA   PHE  36           HA       PHE  36  -6.602  -7.988   2.636
  255    HB2  PHE  36           HB2      PHE  36  -6.429 -10.105   1.241
  256    HB3  PHE  36           HB1      PHE  36  -5.983 -10.958   2.706
  257    HD1  PHE  36           HD1      PHE  36  -8.423 -11.074   0.623
  258    HD2  PHE  36           HD2      PHE  36  -7.978  -9.758   4.641
  259    HE1  PHE  36           HE1      PHE  36 -10.812 -11.535   1.042
  260    HE2  PHE  36           HE2      PHE  36 -10.335 -10.208   5.078
  261    HZ   PHE  36           HZ       PHE  36 -11.774 -11.114   3.272
  262    H    HIS  37           HN       HIS  37  -6.671  -7.165   4.573
  263    HA   HIS  37           HA       HIS  37  -6.244  -8.977   6.851
  264    HB2  HIS  37           HB2      HIS  37  -4.819  -7.467   8.036
  265    HB3  HIS  37           HB1      HIS  37  -4.345  -7.262   6.344
  266    HD1  HIS  37           HD1      HIS  37  -5.727  -5.403   9.185
  267    HD2  HIS  37           HD2      HIS  37  -5.130  -4.846   5.127
  268    HE1  HIS  37           HE1      HIS  37  -5.938  -2.910   8.772
  269    HE2  HIS  37           HE2      HIS  37  -4.969  -2.728   6.514
  270    H    VAL  38           HN       VAL  38  -8.373  -7.476   5.151
  271    HA   VAL  38           HA       VAL  38 -10.136  -6.713   7.263
  272    HB   VAL  38           HB       VAL  38 -10.703  -4.521   5.972
  273   HG11  VAL  38          HG11      VAL  38  -9.675  -4.406   8.176
  274   HG12  VAL  38          HG12      VAL  38  -8.969  -3.178   7.107
  275   HG13  VAL  38          HG13      VAL  38  -8.083  -4.653   7.456
  276   HG21  VAL  38          HG21      VAL  38  -9.365  -4.979   3.949
  277   HG22  VAL  38          HG22      VAL  38  -7.908  -4.976   4.933
  278   HG23  VAL  38          HG23      VAL  38  -8.815  -3.487   4.735
  279    H    ALA  39           HN       ALA  39 -12.320  -6.388   6.372
  280    HA   ALA  39           HA       ALA  39 -12.847  -8.231   4.296
  281    HB1  ALA  39           HB1      ALA  39 -14.710  -6.248   5.625
  282    HB2  ALA  39           HB2      ALA  39 -14.434  -7.909   6.151
  283    HB3  ALA  39           HB3      ALA  39 -15.205  -7.593   4.597
  284    H    GLY  40           HN       GLY  40 -11.664  -7.443   2.692
  285    HA2  GLY  40           HA2      GLY  40 -12.692  -6.248   0.578
  286    HA3  GLY  40           HA1      GLY  40 -12.118  -4.872   1.532
  287    H    ARG  41           HN       ARG  41 -10.366  -4.312   0.300
  288    HA   ARG  41           HA       ARG  41  -8.136  -6.163   0.451
  289    HB2  ARG  41           HB2      ARG  41  -9.108  -4.907  -2.123
  290    HB3  ARG  41           HB1      ARG  41  -7.483  -5.590  -1.883
  291    HG2  ARG  41           HG2      ARG  41  -8.272  -7.597  -1.493
  292    HG3  ARG  41           HG1      ARG  41 -10.009  -7.192  -1.440
  293    HD2  ARG  41           HD2      ARG  41  -9.679  -8.259  -3.522
  294    HD3  ARG  41           HD1      ARG  41  -9.500  -6.562  -3.947
  295    HE   ARG  41           HE       ARG  41  -7.113  -6.860  -3.872
  296   HH11  ARG  41          HH11      ARG  41  -8.988  -9.871  -3.973
  297   HH12  ARG  41          HH12      ARG  41  -7.820 -10.754  -4.833
  298   HH21  ARG  41          HH21      ARG  41  -5.516  -8.056  -5.114
  299   HH22  ARG  41          HH22      ARG  41  -5.760  -9.683  -5.505
  300    H    LYS  42           HN       LYS  42  -6.402  -5.136   1.250
  301    HA   LYS  42           HA       LYS  42  -6.571  -2.228   1.241
  302    HB2  LYS  42           HB2      LYS  42  -6.876  -3.171   3.470
  303    HB3  LYS  42           HB1      LYS  42  -5.419  -4.114   3.316
  304    HG2  LYS  42           HG2      LYS  42  -5.174  -2.140   4.785
  305    HG3  LYS  42           HG1      LYS  42  -4.045  -2.145   3.440
  306    HD2  LYS  42           HD2      LYS  42  -5.309  -0.450   2.297
  307    HD3  LYS  42           HD1      LYS  42  -6.624  -0.573   3.490
  308    HE2  LYS  42           HE2      LYS  42  -5.354   0.351   5.147
  309    HE3  LYS  42           HE1      LYS  42  -3.831   0.122   4.297
  310    HZ1  LYS  42           HZ1      LYS  42  -4.505   1.868   2.689
  311    HZ2  LYS  42           HZ2      LYS  42  -4.432   2.496   4.194
  312    HZ3  LYS  42           HZ3      LYS  42  -5.948   2.168   3.515
  313    H    CYS  43           HN       CYS  43  -4.905  -1.105   0.639
  314    HA   CYS  43           HA       CYS  43  -2.767  -2.362  -0.799
  315    HB2  CYS  43           HB2      CYS  43  -3.818  -0.500  -1.794
  316    HB3  CYS  43           HB1      CYS  43  -3.713   0.441  -0.320
  317    H    TYR  44           HN       TYR  44  -0.696  -2.528  -0.098
  318    HA   TYR  44           HA       TYR  44   0.090  -1.027   2.245
  319    HB2  TYR  44           HB2      TYR  44   0.495  -3.918   1.649
  320    HB3  TYR  44           HB1      TYR  44   1.641  -3.018   2.630
  321    HD1  TYR  44           HD1      TYR  44   1.275  -2.748   4.898
  322    HD2  TYR  44           HD2      TYR  44  -1.930  -3.898   2.393
  323    HE1  TYR  44           HE1      TYR  44  -0.070  -3.206   6.875
  324    HE2  TYR  44           HE2      TYR  44  -3.310  -4.360   4.332
  325    HH   TYR  44           HH       TYR  44  -2.644  -5.056   6.784
  326    H    CYS  45           HN       CYS  45   1.965  -0.195   2.142
  327    HA   CYS  45           HA       CYS  45   3.198  -0.096  -0.449
  328    HB2  CYS  45           HB2      CYS  45   3.598   1.586   2.013
  329    HB3  CYS  45           HB1      CYS  45   4.165   1.969   0.426
  330    H    TYR  46           HN       TYR  46   5.237  -0.766  -0.767
  331    HA   TYR  46           HA       TYR  46   6.503  -2.052   1.518
  332    HB2  TYR  46           HB2      TYR  46   6.551  -2.764  -1.383
  333    HB3  TYR  46           HB1      TYR  46   7.761  -3.378  -0.269
  334    HD1  TYR  46           HD1      TYR  46   7.376  -5.392   0.728
  335    HD2  TYR  46           HD2      TYR  46   4.005  -3.193  -0.660
  336    HE1  TYR  46           HE1      TYR  46   5.941  -7.249   1.307
  337    HE2  TYR  46           HE2      TYR  46   2.558  -4.983  -0.079
  338    HH   TYR  46           HH       TYR  46   2.712  -7.477   0.219
  339    H    LYS  47           HN       LYS  47   8.463  -1.626   2.066
  340    HA   LYS  47           HA       LYS  47  10.093  -0.031   0.329
  341    HB2  LYS  47           HB2      LYS  47  10.624   1.610   2.171
  342    HB3  LYS  47           HB1      LYS  47   9.034   1.766   1.453
  343    HG2  LYS  47           HG2      LYS  47   8.036   0.683   3.397
  344    HG3  LYS  47           HG1      LYS  47   9.636   0.429   4.097
  345    HD2  LYS  47           HD2      LYS  47   9.993   2.814   4.265
  346    HD3  LYS  47           HD1      LYS  47   8.476   3.137   3.430
  347    HE2  LYS  47           HE2      LYS  47   8.240   3.461   5.841
  348    HE3  LYS  47           HE1      LYS  47   7.240   2.123   5.284
  349    HZ1  LYS  47           HZ1      LYS  47   8.930   0.593   6.067
  350    HZ2  LYS  47           HZ2      LYS  47   8.332   1.561   7.311
  351    HZ3  LYS  47           HZ3      LYS  47   9.862   1.887   6.652
  352    HA   PRO  48           HA       PRO  48  13.110  -2.733   2.021
  353    HB2  PRO  48           HB2      PRO  48  15.337  -1.425   1.215
  354    HB3  PRO  48           HB1      PRO  48  14.296  -2.290   0.064
  355    HG2  PRO  48           HG2      PRO  48  14.429   0.621   0.630
  356    HG3  PRO  48           HG1      PRO  48  14.260  -0.222  -0.924
  357    HD2  PRO  48           HD2      PRO  48  12.136   0.890   0.353
  358    HD3  PRO  48           HD1      PRO  48  12.017  -0.555  -0.670
  359    H    CYS  49           HN       CYS  49  13.426  -2.857   4.005
  360    HA   CYS  49           HA       CYS  49  14.911  -0.785   5.446
  361    HB2  CYS  49           HB2      CYS  49  13.834  -2.053   7.460
  362    HB3  CYS  49           HB1      CYS  49  12.843  -0.902   6.570
  363    HA   PRO  50           HA       PRO  50  18.118  -3.805   5.786
  364    HB2  PRO  50           HB2      PRO  50  18.164  -3.594   8.746
  365    HB3  PRO  50           HB1      PRO  50  19.456  -3.222   7.585
  366    HG2  PRO  50           HG2      PRO  50  18.214  -1.275   8.864
  367    HG3  PRO  50           HG1      PRO  50  18.685  -1.105   7.159
  368    HD2  PRO  50           HD2      PRO  50  15.989  -1.673   8.308
  369    HD3  PRO  50           HD1      PRO  50  16.447  -0.603   6.965