*HEADER    ANTIFUNGAL PROTEIN                      19-MAY-15   2N30              
*TITLE     STRUCTURE OF ACE-PVHCT-NH2                                            
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: HEMOCYANIN SUBUNIT L2;                                     
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: UNP RESIDUES 654-676;                                      
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: LITOPENAEUS VANNAMEI;                           
*SOURCE   4 ORGANISM_COMMON: WHITE PACIFIC SHRIMP,WHITE SHRIMP;                  
*SOURCE   5 ORGANISM_TAXID: 6689                                                 
*KEYWDS    ANTIFUNGAL PROTEIN                                                    
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    V.W.PETIT, J.ROLLAND, A.BLOND, C.DJEDIAT, J.PEDUZZI, C.GOULARD,       
*AUTHOR   2 E.BACHERE, J.DUPONT, D.DESTOUMIEUX-GARZON, S.REBUFFAT                
*REVDAT   1   17-JUN-15 2N30    0                                                


assign (resid   1 and  name   HB1)(resid   1 and  name   HB2) 2.0 0.2 0.5
assign (resid   2 and  name    HA)(resid   2 and  name    HN) 3.0 0.8 0.8
assign (resid   3 and  name    HA)(resid   3 and  name    HN) 2.9 0.7 0.7
assign (resid   3 and  name   HB*)(resid   3 and  name    HN) 3.2 0.8 0.8
assign (resid   4 and  name    HA)(resid   4 and  name   HB*) 2.9 0.7 0.7
assign (resid   4 and  name    HA)(resid   4 and  name   HD*) 3.0 0.8 0.8
assign (resid   4 and  name   HB*)(resid   4 and  name    HN) 2.4 0.6 0.6
assign (resid   4 and  name   HB1)(resid   4 and  name   HB2) 1.8 0.0 0.4
assign (resid   5 and  name    HA)(resid   5 and  name   HB*) 3.0 0.8 0.8
assign (resid   5 and  name   HB1)(resid   5 and  name   HB2) 1.8 0.0 0.4
assign (resid   5 and  name   HB*)(resid   5 and  name   HG*) 2.7 0.7 0.7
assign (resid   5 and  name   HB*)(resid   5 and  name   HD*) 2.7 0.7 0.7
assign (resid   6 and  name    HA)(resid   6 and  name    HN) 2.3 0.5 0.6
assign (resid   6 and  name   HB*)(resid   6 and  name    HN) 2.7 0.7 0.7
assign (resid   6 and  name    HA)(resid   6 and  name   HB*) 2.9 0.7 0.7
assign (resid   7 and  name    HA)(resid   7 and  name    HN) 2.4 0.6 0.6
assign (resid   7 and  name   HB*)(resid   7 and  name    HN) 2.4 0.6 0.6
assign (resid   8 and  name   HA*)(resid   8 and  name    HN) 2.1 0.3 0.5
assign (resid   9 and  name    HA)(resid   9 and  name    HN) 2.5 0.6 0.6
assign (resid   9 and  name   HB*)(resid   9 and  name    HN) 2.7 0.7 0.7
assign (resid  10 and  name    HA)(resid  10 and  name    HN) 2.5 0.6 0.6
assign (resid  10 and  name  HG1*)(resid  10 and  name    HN) 3.4 0.9 0.9
assign (resid  10 and  name    HA)(resid  10 and  name  HG1*) 3.0 0.8 0.8
assign (resid  10 and  name    HA)(resid  10 and  name  HG2*) 2.7 0.7 0.7
assign (resid  10 and  name    HB)(resid  10 and  name  HG2*) 2.3 0.5 0.6
assign (resid  10 and  name  HG11)(resid  10 and  name  HG12) 1.8 0.0 0.4
assign (resid  10 and  name   HG*)(resid  10 and  name   HD*) 2.0 0.2 0.5
assign (resid  11 and  name    HA)(resid  11 and  name    HN) 2.5 0.6 0.6
assign (resid  11 and  name    HA)(resid  11 and  name   HB*) 2.3 0.5 0.6
assign (resid  11 and  name    HA)(resid  11 and  name   HG*) 3.0 0.8 0.8
assign (resid  11 and  name   HB*)(resid  11 and  name   HG*) 1.9 0.1 0.5
assign (resid  12 and  name    HA)(resid  12 and  name    HN) 2.3 0.5 0.6
assign (resid  12 and  name    HB)(resid  12 and  name    HN) 2.3 0.5 0.6
assign (resid  12 and  name   HG*)(resid  12 and  name    HN) 2.7 0.7 0.7
assign (resid  12 and  name    HA)(resid  12 and  name   HG*) 2.7 0.7 0.7
assign (resid  12 and  name    HB)(resid  12 and  name   HG*) 2.4 0.6 0.6
assign (resid  13 and  name    HA)(resid  13 and  name    HN) 2.5 0.6 0.6
assign (resid  13 and  name   HB*)(resid  13 and  name    HN) 2.4 0.6 0.6
assign (resid  13 and  name   HD*)(resid  13 and  name    HN) 3.1 0.8 0.8
assign (resid  13 and  name   HG*)(resid  13 and  name   HD*) 2.2 0.4 0.6
assign (resid  14 and  name    HA)(resid  14 and  name    HN) 2.5 0.6 0.6
assign (resid  14 and  name    HB)(resid  14 and  name    HN) 2.4 0.6 0.6
assign (resid  14 and  name   HG*)(resid  14 and  name    HN) 2.5 0.6 0.6
assign (resid  14 and  name    HA)(resid  14 and  name   HG*) 2.5 0.6 0.6
assign (resid  14 and  name    HB)(resid  14 and  name   HG*) 2.3 0.5 0.6
assign (resid  14 and  name  HG1*)(resid  14 and  name  HG2*) 2.3 0.5 0.6
assign (resid  15 and  name    HA)(resid  15 and  name    HN) 2.5 0.6 0.6
assign (resid  15 and  name   HB*)(resid  15 and  name    HN) 2.3 0.5 0.6
assign (resid  15 and  name    HA)(resid  15 and  name   HB*) 2.4 0.6 0.6
assign (resid  16 and  name    HA)(resid  16 and  name    HN) 2.4 0.6 0.6
assign (resid  16 and  name   HB*)(resid  16 and  name    HN) 2.8 0.7 0.7
assign (resid  16 and  name    HA)(resid  16 and  name   HB*) 2.9 0.7 0.7
assign (resid  16 and  name   HB1)(resid  16 and  name   HB2) 1.8 0.0 0.4
assign (resid  17 and  name    HA)(resid  17 and  name    HN) 2.4 0.6 0.6
assign (resid  17 and  name   HB*)(resid  17 and  name    HN) 2.2 0.4 0.6
assign (resid  17 and  name    HA)(resid  17 and  name   HD2) 3.4 0.9 0.9
assign (resid  17 and  name   HB*)(resid  17 and  name   HD2) 3.1 0.8 0.8
assign (resid  18 and  name   HA*)(resid  18 and  name    HN) 2.3 0.5 0.6
assign (resid  18 and  name   HA1)(resid  18 and  name   HA2) 1.8 0.0 0.4
assign (resid  19 and  name    HA)(resid  19 and  name    HN) 2.3 0.5 0.6
assign (resid  19 and  name    HA)(resid  19 and  name   HB*) 2.7 0.7 0.7
assign (resid  20 and  name    HA)(resid  20 and  name    HN) 2.2 0.4 0.6
assign (resid  20 and  name   HB*)(resid  20 and  name    HN) 2.3 0.5 0.6
assign (resid  20 and  name    HA)(resid  20 and  name   HD2) 3.5 0.9 0.9
assign (resid  20 and  name   HB*)(resid  20 and  name   HD2) 3.2 0.8 0.8
assign (resid  21 and  name    HA)(resid  21 and  name    HN) 2.7 0.7 0.7
assign (resid  21 and  name    HB)(resid  21 and  name    HN) 3.0 0.8 0.8
assign (resid  21 and  name    HN)(resid  21 and  name  HG2*) 3.1 0.8 0.8
assign (resid  21 and  name  HG1*)(resid  21 and  name    HN) 3.1 0.8 0.8
assign (resid  21 and  name    HA)(resid  21 and  name    HB) 2.7 0.7 0.7
assign (resid  21 and  name    HA)(resid  21 and  name  HG2*) 2.7 0.7 0.7
assign (resid  21 and  name  HG11)(resid  21 and  name  HG12) 1.8 0.0 0.4
assign (resid  21 and  name  HG1*)(resid  21 and  name  HG2*) 2.3 0.5 0.6
assign (resid  22 and  name    HA)(resid  22 and  name    HN) 2.2 0.4 0.6
assign (resid  22 and  name   HB*)(resid  22 and  name    HN) 2.7 0.7 0.7
assign (resid  22 and  name   HB1)(resid  22 and  name   HB2) 1.8 0.0 0.4
assign (resid  22 and  name   HB*)(resid  22 and  name   HD2) 3.7 0.9 0.9
assign (resid   2 and  name    HN)(resid   3 and  name    HN) 3.1 0.8 0.8
assign (resid   2 and  name    HA)(resid   3 and  name    HN) 2.9 0.7 0.7
assign (resid   3 and  name    HN)(resid   4 and  name    HN) 2.6 0.7 0.7
assign (resid   3 and  name    HA)(resid   4 and  name    HN) 2.7 0.7 0.7
assign (resid   5 and  name    HA)(resid   6 and  name    HN) 2.5 0.6 0.6
assign (resid   6 and  name    HA)(resid   7 and  name    HN) 2.7 0.7 0.7
assign (resid   6 and  name   HB*)(resid   7 and  name    HN) 2.8 0.7 0.7
assign (resid   7 and  name    HN)(resid   8 and  name    HN) 2.4 0.6 0.6
assign (resid   7 and  name   HB*)(resid   8 and  name    HN) 2.8 0.7 0.7
assign (resid   8 and  name   HA*)(resid   9 and  name    HN) 2.5 0.6 0.6
assign (resid   9 and  name    HN)(resid  10 and  name    HN) 2.7 0.7 0.7
assign (resid   9 and  name    HA)(resid  10 and  name    HN) 3.0 0.8 0.8
assign (resid   9 and  name   HB*)(resid  10 and  name    HN) 3.5 0.9 0.9
assign (resid  10 and  name    HN)(resid  11 and  name    HN) 2.5 0.6 0.6
assign (resid  10 and  name  HG2*)(resid  11 and  name    HN) 3.0 0.8 0.8
assign (resid  11 and  name   HB*)(resid  12 and  name    HN) 2.6 0.7 0.7
assign (resid  12 and  name    HN)(resid  13 and  name    HN) 2.3 0.5 0.6
assign (resid  12 and  name    HA)(resid  13 and  name    HN) 2.7 0.7 0.7
assign (resid  12 and  name    HB)(resid  13 and  name    HN) 2.7 0.7 0.7
assign (resid  12 and  name   HG*)(resid  13 and  name    HN) 3.4 0.9 0.9
assign (resid  13 and  name    HN)(resid  14 and  name    HN) 2.7 0.7 0.7
assign (resid  13 and  name   HB*)(resid  14 and  name    HN) 2.8 0.7 0.7
assign (resid  14 and  name    HN)(resid  15 and  name    HN) 2.5 0.6 0.6
assign (resid  14 and  name    HA)(resid  15 and  name    HN) 3.1 0.8 0.8
assign (resid  14 and  name    HB)(resid  15 and  name    HN) 2.5 0.6 0.6
assign (resid  14 and  name   HG*)(resid  15 and  name    HN) 3.2 0.8 0.8
assign (resid  15 and  name    HN)(resid  16 and  name    HN) 2.8 0.7 0.7
assign (resid  15 and  name    HA)(resid  16 and  name    HN) 3.0 0.8 0.8
assign (resid  15 and  name   HB*)(resid  16 and  name    HN) 2.7 0.7 0.7
assign (resid  16 and  name    HN)(resid  17 and  name    HN) 3.2 0.8 0.8
assign (resid  16 and  name   HB*)(resid  17 and  name    HN) 3.1 0.8 0.8
assign (resid  17 and  name    HA)(resid  18 and  name    HN) 3.1 0.8 0.8
assign (resid  17 and  name   HB*)(resid  18 and  name    HN) 2.8 0.7 0.7
assign (resid  18 and  name    HN)(resid  19 and  name    HN) 2.5 0.6 0.6
assign (resid  18 and  name   HA*)(resid  19 and  name    HN) 2.7 0.7 0.7
assign (resid  19 and  name    HN)(resid  20 and  name    HN) 2.2 0.4 0.6
assign (resid  19 and  name    HA)(resid  20 and  name    HN) 3.1 0.8 0.8
assign (resid  20 and  name    HA)(resid  21 and  name    HN) 2.8 0.7 0.7
assign (resid  20 and  name   HB*)(resid  21 and  name    HN) 2.8 0.7 0.7
assign (resid  21 and  name    HN)(resid  22 and  name    HN) 2.5 0.6 0.6
assign (resid  21 and  name    HA)(resid  22 and  name    HN) 2.7 0.7 0.7
assign (resid  21 and  name  HG2*)(resid  22 and  name    HN) 3.8 1.0 1.0
assign (resid   4 and  name   HB*)(resid   6 and  name    HN) 3.1 0.8 0.8
assign (resid   6 and  name    HA)(resid   9 and  name    HN) 3.1 0.8 0.8
assign (resid   7 and  name    HA)(resid  10 and  name    HN) 3.0 0.8 0.8
assign (resid   7 and  name    HA)(resid  10 and  name    HB) 2.7 0.7 0.7
assign (resid   7 and  name    HA)(resid  10 and  name   HD*) 3.2 0.8 0.8
assign (resid   9 and  name    HA)(resid  12 and  name    HB) 2.9 0.7 0.7
assign (resid   9 and  name    HA)(resid  12 and  name   HG*) 2.9 0.7 0.7
assign (resid  12 and  name    HA)(resid  15 and  name    HN) 3.1 0.8 0.8
assign (resid  16 and  name    HN)(resid  12 and  name    HA) 3.6 0.9 0.9
assign (resid  12 and  name   HG*)(resid  16 and  name  HD21 )3.2 0.8 0.8
assign (resid  13 and  name    HA)(resid  16 and  name    HN) 3.1 0.8 0.8
assign (resid  13 and  name    HA)(resid  17 and  name    HN) 3.6 0.9 0.9
assign (resid  14 and  name    HA)(resid  17 and  name    HN) 3.0 0.8 0.8
assign (resid  15 and  name    HA)(resid  18 and  name    HN) 3.4 0.9 0.9
assign (resid  16 and  name    HA)(resid  19 and  name    HN) 2.8 0.7 0.7



assign (resid   7 and name C   )
       (resid   8 and name N   )
       (resid   8 and name CA  )
       (resid   8 and name C   )  1.0    -60.0  30.0  2
assign (resid   8 and name C   )
       (resid   9 and name N   )
       (resid   9 and name CA  )
       (resid   9 and name C   )  1.0    -60.0  30.0  2
assign (resid   9 and name C   )
       (resid  10 and name N   )
       (resid  10 and name CA  )
       (resid  10 and name C   )  1.0    -60.0  30.0  2
assign (resid  12 and name C   )
       (resid  13 and name N   )
       (resid  13 and name CA  )
       (resid  13 and name C   )  1.0    -60.0  30.0  2
assign (resid  13 and name C   )
       (resid  14 and name N   )
       (resid  14 and name CA  )
       (resid  14 and name C   )  1.0    -60.0  30.0  2
assign (resid  14 and name C   )
       (resid  15 and name N   )
       (resid  15 and name CA  )
       (resid  15 and name C   )  1.0    -60.0  30.0  2
assign (resid  16 and name C   )
       (resid  17 and name N   )
       (resid  17 and name CA  )
       (resid  17 and name C   )  1.0    -60.0  30.0  2
assign (resid  17 and name C   )
       (resid  18 and name N   )
       (resid  18 and name CA  )
       (resid  18 and name C   )  1.0    -60.0  30.0  2






  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   ACE   1           1HY      ACE   1 -10.839   4.882   1.737
    2    H2   ACE   1           2HY      ACE   1  -9.930   4.325   3.193
    3    H3   ACE   1           3HY      ACE   1  -9.141   4.292   1.568
    4    H    PHE   2           H        PHE   2  -9.959   2.136   3.739
    5    HA   PHE   2           HA       PHE   2 -10.728   0.165   1.788
    6    HB2  PHE   2           2HB      PHE   2  -8.848  -0.270   3.387
    7    HB3  PHE   2           1HB      PHE   2 -10.000  -0.147   4.760
    8    HD1  PHE   2           1HD      PHE   2 -11.466  -1.968   1.854
    9    HD2  PHE   2           2HD      PHE   2  -8.864  -2.315   5.275
   10    HE1  PHE   2           1HE      PHE   2 -11.728  -4.394   1.810
   11    HE2  PHE   2           2HE      PHE   2  -9.135  -4.769   5.209
   12    HZ   PHE   2           HZ       PHE   2 -10.569  -5.815   3.477
   13    H    GLU   3           H        GLU   3 -12.869   0.211   1.309
   14    HA   GLU   3           HA       GLU   3 -14.644  -0.635   3.396
   15    HB2  GLU   3           2HB      GLU   3 -14.962   1.875   3.430
   16    HB3  GLU   3           1HB      GLU   3 -15.326   1.837   1.676
   17    HG2  GLU   3           2HG      GLU   3 -17.355   0.381   2.160
   18    HG3  GLU   3           1HG      GLU   3 -16.930   0.403   3.911
   19    H    ASP   4           H        ASP   4 -14.298  -2.521   2.262
   20    HA   ASP   4           HA       ASP   4 -15.063  -4.137   1.021
   21    HB2  ASP   4           2HB      ASP   4 -17.153  -2.877   0.335
   22    HB3  ASP   4           1HB      ASP   4 -16.242  -2.236  -1.075
   23    H    LEU   5           H        LEU   5 -13.975  -1.446  -0.878
   24    HA   LEU   5           HA       LEU   5 -12.079  -3.091  -2.372
   25    HB2  LEU   5           2HB      LEU   5 -13.642  -1.419  -3.520
   26    HB3  LEU   5           1HB      LEU   5 -12.736  -0.098  -2.717
   27    HG   LEU   5           HG       LEU   5 -12.189  -0.416  -5.090
   28   HD11  LEU   5          1HD1      LEU   5 -10.448   0.540  -3.561
   29   HD12  LEU   5          2HD1      LEU   5  -9.777  -0.258  -5.031
   30   HD13  LEU   5          3HD1      LEU   5  -9.684  -1.092  -3.443
   31   HD21  LEU   5          3HD2      LEU   5 -12.530  -2.882  -5.279
   32   HD22  LEU   5          1HD2      LEU   5 -10.967  -3.164  -4.419
   33   HD23  LEU   5          2HD2      LEU   5 -10.978  -2.327  -6.009
   34    HA   PRO   6           HA       PRO   6  -9.322  -1.197   0.767
   35    HB2  PRO   6           2HB      PRO   6  -6.992  -2.598   0.277
   36    HB3  PRO   6           1HB      PRO   6  -8.427  -3.345   1.068
   37    HG2  PRO   6           2HG      PRO   6  -7.656  -3.500  -1.894
   38    HG3  PRO   6           1HG      PRO   6  -8.102  -4.857  -0.777
   39    HD2  PRO   6           2HD      PRO   6  -9.932  -3.640  -2.484
   40    HD3  PRO   6           1HD      PRO   6 -10.426  -4.246  -0.835
   41    H    ASN   7           H        ASN   7  -9.594   0.884  -0.443
   42    HA   ASN   7           HA       ASN   7  -7.644   1.466  -2.451
   43    HB2  ASN   7           2HB      ASN   7 -10.008   2.484  -2.370
   44    HB3  ASN   7           1HB      ASN   7  -9.479   3.429  -0.939
   45   HD21  ASN   7          1HD2      ASN   7  -8.659   5.459  -1.418
   46   HD22  ASN   7          2HD2      ASN   7  -7.997   5.961  -2.938
   47    H    PHE   8           H        PHE   8  -7.950   1.569   0.978
   48    HA   PHE   8           HA       PHE   8  -5.769   3.368   1.458
   49    HB2  PHE   8           2HB      PHE   8  -7.620   3.035   3.169
   50    HB3  PHE   8           1HB      PHE   8  -7.077   1.332   3.384
   51    HD1  PHE   8           1HD      PHE   8  -5.764   4.887   3.436
   52    HD2  PHE   8           2HD      PHE   8  -5.430   0.906   5.029
   53    HE1  PHE   8           1HE      PHE   8  -4.027   5.662   5.016
   54    HE2  PHE   8           2HE      PHE   8  -3.695   1.687   6.610
   55    HZ   PHE   8           HZ       PHE   8  -2.986   4.064   6.602
   56    H    GLY   9           H        GLY   9  -6.304  -0.137   0.986
   57    HA2  GLY   9           2HA      GLY   9  -3.726  -0.934   1.860
   58    HA3  GLY   9           1HA      GLY   9  -4.941  -1.856   0.897
   59    H    HIS  10           H        HIS  10  -5.041   0.383  -1.128
   60    HA   HIS  10           HA       HIS  10  -2.840  -0.446  -2.789
   61    HB2  HIS  10           2HB      HIS  10  -5.080   1.618  -3.222
   62    HB3  HIS  10           1HB      HIS  10  -3.909   1.084  -4.482
   63    HD1  HIS  10           1HD      HIS  10  -6.927   0.698  -4.957
   64    HD2  HIS  10           2HD      HIS  10  -4.481  -2.275  -3.285
   65    HE1  HIS  10           1HE      HIS  10  -8.026  -1.570  -5.376
   66    H    ILE  11           H        ILE  11  -3.641   2.170  -0.582
   67    HA   ILE  11           HA       ILE  11  -1.767   4.020  -1.683
   68    HB   ILE  11           HB       ILE  11  -3.980   4.085   0.129
   69   HG12  ILE  11          2HG1      ILE  11  -3.718   6.572  -0.184
   70   HG13  ILE  11          1HG1      ILE  11  -2.174   6.276  -1.052
   71   HG21  ILE  11          1HG2      ILE  11  -3.175   5.544   1.937
   72   HG22  ILE  11          2HG2      ILE  11  -1.471   5.354   1.399
   73   HG23  ILE  11          3HG2      ILE  11  -2.391   3.934   2.043
   74   HD11  ILE  11          3HD1      ILE  11  -4.093   6.630  -2.629
   75   HD12  ILE  11          1HD1      ILE  11  -4.969   5.236  -1.899
   76   HD13  ILE  11          2HD1      ILE  11  -3.438   4.965  -2.813
   77    H    GLN  12           H        GLN  12  -1.724   1.378   0.651
   78    HA   GLN  12           HA       GLN  12   0.716   2.203   1.881
   79    HB2  GLN  12           2HB      GLN  12  -0.828  -0.442   1.928
   80    HB3  GLN  12           1HB      GLN  12   0.678  -0.162   2.864
   81    HG2  GLN  12           2HG      GLN  12  -1.967   1.387   3.217
   82    HG3  GLN  12           1HG      GLN  12  -1.314   0.115   4.305
   83   HE21  GLN  12          1HE2      GLN  12   1.150   0.610   4.967
   84   HE22  GLN  12          2HE2      GLN  12   1.450   2.229   5.506
   85    H    VAL  13           H        VAL  13   0.016   0.818  -1.177
   86    HA   VAL  13           HA       VAL  13   2.316  -0.820  -1.397
   87    HB   VAL  13           HB       VAL  13   0.569   0.467  -3.551
   88   HG11  VAL  13          1HG1      VAL  13   1.533  -1.364  -5.026
   89   HG12  VAL  13          2HG1      VAL  13   2.702  -1.777  -3.717
   90   HG13  VAL  13          3HG1      VAL  13   2.773  -0.166  -4.531
   91   HG21  VAL  13          3HG2      VAL  13  -0.453  -1.837  -3.651
   92   HG22  VAL  13          1HG2      VAL  13  -0.714  -1.045  -2.063
   93   HG23  VAL  13          2HG2      VAL  13   0.541  -2.329  -2.229
   94    H    LYS  14           H        LYS  14   1.589   2.540  -1.721
   95    HA   LYS  14           HA       LYS  14   3.958   3.280  -3.172
   96    HB2  LYS  14           2HB      LYS  14   1.889   4.971  -1.647
   97    HB3  LYS  14           1HB      LYS  14   3.321   5.657  -2.481
   98    HG2  LYS  14           2HG      LYS  14   1.494   6.015  -3.893
   99    HG3  LYS  14           1HG      LYS  14   2.509   4.755  -4.671
  100    HD2  LYS  14           2HD      LYS  14   0.894   3.007  -4.081
  101    HD3  LYS  14           1HD      LYS  14  -0.032   4.138  -3.033
  102    HE2  LYS  14           2HE      LYS  14   0.266   4.428  -6.102
  103    HE3  LYS  14           1HE      LYS  14  -1.144   3.670  -5.254
  104    HZ1  LYS  14           3HZ      LYS  14  -1.552   5.951  -5.823
  105    HZ2  LYS  14           1HZ      LYS  14  -0.213   6.471  -4.915
  106    HZ3  LYS  14           2HZ      LYS  14  -1.538   5.748  -4.137
  107    H    VAL  15           H        VAL  15   2.992   2.819   0.192
  108    HA   VAL  15           HA       VAL  15   5.138   4.298   1.340
  109    HB   VAL  15           HB       VAL  15   3.271   2.188   2.540
  110   HG11  VAL  15          1HG1      VAL  15   5.182   4.232   3.866
  111   HG12  VAL  15          2HG1      VAL  15   5.310   2.431   3.948
  112   HG13  VAL  15          3HG1      VAL  15   3.930   3.267   4.732
  113   HG21  VAL  15          3HG2      VAL  15   3.151   5.280   2.488
  114   HG22  VAL  15          1HG2      VAL  15   2.052   4.203   3.429
  115   HG23  VAL  15          2HG2      VAL  15   2.027   4.157   1.635
  116    H    PHE  16           H        PHE  16   4.539   0.941   0.260
  117    HA   PHE  16           HA       PHE  16   6.836  -0.154   1.529
  118    HB2  PHE  16           2HB      PHE  16   5.247  -1.222  -0.889
  119    HB3  PHE  16           1HB      PHE  16   6.432  -2.166   0.096
  120    HD1  PHE  16           1HD      PHE  16   5.391  -1.039   2.912
  121    HD2  PHE  16           2HD      PHE  16   3.476  -2.728  -0.562
  122    HE1  PHE  16           1HE      PHE  16   3.516  -1.789   4.304
  123    HE2  PHE  16           2HE      PHE  16   1.600  -3.484   0.854
  124    HZ   PHE  16           HZ       PHE  16   1.610  -3.008   3.289
  125    H    ASN  17           H        ASN  17   6.135   1.358  -1.622
  126    HA   ASN  17           HA       ASN  17   8.591   0.578  -2.841
  127    HB2  ASN  17           2HB      ASN  17   6.546   2.781  -3.548
  128    HB3  ASN  17           1HB      ASN  17   7.948   2.319  -4.590
  129   HD21  ASN  17          1HD2      ASN  17   5.256   2.210  -5.487
  130   HD22  ASN  17          2HD2      ASN  17   4.831   0.557  -5.792
  131    H    HIS  18           H        HIS  18   7.488   3.229  -0.770
  132    HA   HIS  18           HA       HIS  18   9.620   4.999  -1.366
  133    HB2  HIS  18           2HB      HIS  18   7.450   5.801  -0.394
  134    HB3  HIS  18           1HB      HIS  18   7.798   4.874   1.101
  135    HD1  HIS  18           1HD      HIS  18   9.059   7.929  -0.854
  136    HD2  HIS  18           2HD      HIS  18   9.718   6.028   2.822
  137    HE1  HIS  18           1HE      HIS  18  10.538   9.449   0.567
  138    H    GLY  19           H        GLY  19   8.966   2.497   1.153
  139    HA2  GLY  19           2HA      GLY  19  11.340   3.090   2.604
  140    HA3  GLY  19           1HA      GLY  19  10.189   1.717   2.797
  141    H    GLU  20           H        GLU  20  10.765   1.369  -0.311
  142    HA   GLU  20           HA       GLU  20  12.849  -0.594   0.091
  143    HB2  GLU  20           2HB      GLU  20  10.785  -1.213  -1.124
  144    HB3  GLU  20           1HB      GLU  20  11.069   0.089  -2.320
  145    HG2  GLU  20           2HG      GLU  20  13.188  -1.100  -3.069
  146    HG3  GLU  20           1HG      GLU  20  12.887  -2.374  -1.827
  147    H    HIS  21           H        HIS  21  12.140   1.950  -2.414
  148    HA   HIS  21           HA       HIS  21  14.858   1.777  -3.224
  149    HB2  HIS  21           2HB      HIS  21  12.885   1.618  -4.790
  150    HB3  HIS  21           1HB      HIS  21  12.563   3.354  -4.508
  151    HD1  HIS  21           1HD      HIS  21  14.897   4.904  -5.229
  152    HD2  HIS  21           2HD      HIS  21  14.535   1.052  -6.851
  153    HE1  HIS  21           1HE      HIS  21  16.433   4.752  -7.265
  154    H    ILE  22           H        ILE  22  12.574   4.380  -2.473
  155    HA   ILE  22           HA       ILE  22  14.806   6.288  -2.383
  156    HB   ILE  22           HB       ILE  22  13.158   8.086  -2.656
  157   HG12  ILE  22          2HG1      ILE  22  11.077   5.942  -3.425
  158   HG13  ILE  22          1HG1      ILE  22  11.126   6.683  -1.786
  159   HG21  ILE  22          1HG2      ILE  22  13.127   5.928  -4.859
  160   HG22  ILE  22          2HG2      ILE  22  14.494   7.057  -4.516
  161   HG23  ILE  22          3HG2      ILE  22  12.910   7.701  -5.075
  162   HD11  ILE  22          3HD1      ILE  22  10.766   8.207  -4.445
  163   HD12  ILE  22          1HD1      ILE  22  10.864   8.957  -2.807
  164   HD13  ILE  22          2HD1      ILE  22   9.497   7.856  -3.215
  165    H    HIS  23           H        HIS  23  14.643   4.654  -0.164
  166    HA   HIS  23           HA       HIS  23  13.167   5.925   1.885
  167    HB2  HIS  23           2HB      HIS  23  14.382   4.449   3.456
  168    HB3  HIS  23           1HB      HIS  23  13.650   3.544   2.094
  169    HD1  HIS  23           1HD      HIS  23  15.377   2.756   0.139
  170    HD2  HIS  23           2HD      HIS  23  17.197   4.088   3.682
  171    HE1  HIS  23           1HE      HIS  23  17.809   1.982   0.129
  172    H    HIS  24           H        HIS  24  13.762   7.561   3.230
  173    HA   HIS  24           HA       HIS  24  16.352   8.821   2.675
  174    HB2  HIS  24           2HB      HIS  24  13.819   9.979   3.965
  175    HB3  HIS  24           1HB      HIS  24  15.322  10.883   3.553
  176    HD1  HIS  24           1HD      HIS  24  15.864  10.251   0.675
  177    HD2  HIS  24           2HD      HIS  24  11.920  10.509   2.084
  178    HE1  HIS  24           1HE      HIS  24  14.332  10.679  -1.325
  179    HN1  NH2  25           1H       NH2  25  17.588   8.207   5.924
  180    HN2  NH2  25           2H       NH2  25  17.898   8.508   4.245
  Start of MODEL    2
    1    H1   ACE   1           1HY      ACE   1 -17.169  -1.316   1.134
    2    H2   ACE   1           2HY      ACE   1 -16.749  -0.905  -0.573
    3    H3   ACE   1           3HY      ACE   1 -15.767  -2.120   0.331
    4    H    PHE   2           H        PHE   2 -14.790   0.295  -0.993
    5    HA   PHE   2           HA       PHE   2 -13.531   2.003  -0.819
    6    HB2  PHE   2           2HB      PHE   2 -14.778   2.686   1.911
    7    HB3  PHE   2           1HB      PHE   2 -13.701   3.758   0.938
    8    HD1  PHE   2           1HD      PHE   2 -14.432   4.261  -1.501
    9    HD2  PHE   2           2HD      PHE   2 -17.101   2.723   1.499
   10    HE1  PHE   2           1HE      PHE   2 -16.371   5.052  -2.817
   11    HE2  PHE   2           2HE      PHE   2 -19.037   3.518   0.182
   12    HZ   PHE   2           HZ       PHE   2 -18.677   4.679  -1.981
   13    H    GLU   3           H        GLU   3 -13.296   1.609   2.726
   14    HA   GLU   3           HA       GLU   3 -10.464   1.292   2.492
   15    HB2  GLU   3           2HB      GLU   3 -12.379   1.336   4.889
   16    HB3  GLU   3           1HB      GLU   3 -10.618   1.034   5.051
   17    HG2  GLU   3           2HG      GLU   3 -10.972   3.347   5.561
   18    HG3  GLU   3           1HG      GLU   3 -10.092   3.233   3.997
   19    H    ASP   4           H        ASP   4 -13.226  -0.849   2.639
   20    HA   ASP   4           HA       ASP   4 -11.819  -3.115   3.642
   21    HB2  ASP   4           2HB      ASP   4 -14.423  -2.920   1.995
   22    HB3  ASP   4           1HB      ASP   4 -13.820  -4.418   2.798
   23    H    LEU   5           H        LEU   5 -12.376  -1.562   0.606
   24    HA   LEU   5           HA       LEU   5 -11.136  -3.659  -0.978
   25    HB2  LEU   5           2HB      LEU   5 -12.040  -0.814  -1.747
   26    HB3  LEU   5           1HB      LEU   5 -11.509  -2.076  -2.909
   27    HG   LEU   5           HG       LEU   5 -13.988  -2.256  -1.098
   28   HD11  LEU   5          1HD1      LEU   5 -14.224  -0.464  -2.801
   29   HD12  LEU   5          2HD1      LEU   5 -15.317  -1.854  -3.150
   30   HD13  LEU   5          3HD1      LEU   5 -13.804  -1.634  -4.110
   31   HD21  LEU   5          3HD2      LEU   5 -13.131  -4.523  -1.647
   32   HD22  LEU   5          1HD2      LEU   5 -13.054  -4.093  -3.398
   33   HD23  LEU   5          2HD2      LEU   5 -14.646  -4.189  -2.557
   34    HA   PRO   6           HA       PRO   6  -7.234  -1.427  -0.837
   35    HB2  PRO   6           2HB      PRO   6  -7.150  -1.669  -3.902
   36    HB3  PRO   6           1HB      PRO   6  -5.841  -2.010  -2.696
   37    HG2  PRO   6           2HG      PRO   6  -7.267  -4.052  -3.790
   38    HG3  PRO   6           1HG      PRO   6  -6.981  -4.046  -1.996
   39    HD2  PRO   6           2HD      PRO   6  -9.493  -3.090  -3.503
   40    HD3  PRO   6           1HD      PRO   6  -9.365  -4.189  -2.051
   41    H    ASN   7           H        ASN   7  -8.470   0.592  -0.205
   42    HA   ASN   7           HA       ASN   7  -8.088   2.692  -2.200
   43    HB2  ASN   7           2HB      ASN   7 -10.372   2.705  -1.153
   44    HB3  ASN   7           1HB      ASN   7  -9.630   2.755   0.476
   45   HD21  ASN   7          1HD2      ASN   7  -9.411   4.809   1.345
   46   HD22  ASN   7          2HD2      ASN   7  -9.372   6.294   0.452
   47    H    PHE   8           H        PHE   8  -7.828   1.919   1.186
   48    HA   PHE   8           HA       PHE   8  -5.461   3.516   1.591
   49    HB2  PHE   8           2HB      PHE   8  -7.318   3.352   3.342
   50    HB3  PHE   8           1HB      PHE   8  -6.895   1.615   3.570
   51    HD1  PHE   8           2HD      PHE   8  -5.375   5.083   3.570
   52    HD2  PHE   8           1HD      PHE   8  -5.196   1.084   5.139
   53    HE1  PHE   8           2HE      PHE   8  -3.556   5.764   5.101
   54    HE2  PHE   8           1HE      PHE   8  -3.378   1.767   6.671
   55    HZ   PHE   8           HZ       PHE   8  -2.550   4.107   6.650
   56    H    GLY   9           H        GLY   9  -6.380   0.183   0.896
   57    HA2  GLY   9           2HA      GLY   9  -3.942  -1.015   1.743
   58    HA3  GLY   9           1HA      GLY   9  -5.258  -1.696   0.714
   59    H    HIS  10           H        HIS  10  -5.062   0.670  -1.151
   60    HA   HIS  10           HA       HIS  10  -2.906  -0.316  -2.806
   61    HB2  HIS  10           2HB      HIS  10  -5.156   0.201  -3.798
   62    HB3  HIS  10           1HB      HIS  10  -4.979   1.911  -3.282
   63    HD1  HIS  10           1HD      HIS  10  -2.855  -0.592  -5.362
   64    HD2  HIS  10           2HD      HIS  10  -4.016   3.440  -5.376
   65    HE1  HIS  10           1HE      HIS  10  -1.845   0.518  -7.431
   66    H    ILE  11           H        ILE  11  -3.645   2.357  -0.612
   67    HA   ILE  11           HA       ILE  11  -1.606   4.075  -1.593
   68    HB   ILE  11           HB       ILE  11  -3.843   4.234   0.177
   69   HG12  ILE  11          2HG1      ILE  11  -3.412   6.707  -0.044
   70   HG13  ILE  11          1HG1      ILE  11  -1.869   6.339  -0.887
   71   HG21  ILE  11          1HG2      ILE  11  -2.990   5.577   2.051
   72   HG22  ILE  11          2HG2      ILE  11  -1.290   5.293   1.546
   73   HG23  ILE  11          3HG2      ILE  11  -2.315   3.915   2.119
   74   HD11  ILE  11          3HD1      ILE  11  -3.161   5.181  -2.726
   75   HD12  ILE  11          1HD1      ILE  11  -3.736   6.870  -2.487
   76   HD13  ILE  11          2HD1      ILE  11  -4.697   5.493  -1.832
   77    H    GLN  12           H        GLN  12  -1.774   1.361   0.572
   78    HA   GLN  12           HA       GLN  12   0.553   1.906   2.069
   79    HB2  GLN  12           2HB      GLN  12  -1.446   0.479   2.736
   80    HB3  GLN  12           1HB      GLN  12  -0.886  -0.759   1.567
   81    HG2  GLN  12           2HG      GLN  12   1.266  -0.990   2.915
   82    HG3  GLN  12           1HG      GLN  12   0.678   0.297   4.032
   83   HE21  GLN  12          1HE2      GLN  12  -0.455  -2.847   2.550
   84   HE22  GLN  12          2HE2      GLN  12  -1.232  -3.447   3.979
   85    H    VAL  13           H        VAL  13  -0.015   0.700  -1.155
   86    HA   VAL  13           HA       VAL  13   2.302  -0.905  -1.372
   87    HB   VAL  13           HB       VAL  13   0.562   0.372  -3.543
   88   HG11  VAL  13          1HG1      VAL  13   2.756  -0.336  -4.495
   89   HG12  VAL  13          2HG1      VAL  13   1.490  -1.514  -4.973
   90   HG13  VAL  13          3HG1      VAL  13   2.641  -1.928  -3.648
   91   HG21  VAL  13          3HG2      VAL  13  -0.504  -1.918  -3.610
   92   HG22  VAL  13          1HG2      VAL  13  -0.781  -1.074  -2.052
   93   HG23  VAL  13          2HG2      VAL  13   0.452  -2.389  -2.154
   94    H    LYS  14           H        LYS  14   1.590   2.467  -1.624
   95    HA   LYS  14           HA       LYS  14   3.977   3.154  -3.095
   96    HB2  LYS  14           2HB      LYS  14   1.959   4.943  -1.620
   97    HB3  LYS  14           1HB      LYS  14   3.424   5.542  -2.469
   98    HG2  LYS  14           2HG      LYS  14   1.749   5.931  -3.997
   99    HG3  LYS  14           1HG      LYS  14   2.554   4.449  -4.614
  100    HD2  LYS  14           2HD      LYS  14   0.646   3.071  -3.726
  101    HD3  LYS  14           1HD      LYS  14  -0.049   4.542  -2.961
  102    HE2  LYS  14           2HE      LYS  14  -1.301   4.030  -5.005
  103    HE3  LYS  14           1HE      LYS  14  -0.368   5.560  -5.265
  104    HZ1  LYS  14           3HZ      LYS  14   1.300   4.270  -6.423
  105    HZ2  LYS  14           1HZ      LYS  14  -0.230   4.078  -7.136
  106    HZ3  LYS  14           2HZ      LYS  14   0.419   2.839  -6.174
  107    H    VAL  15           H        VAL  15   3.045   2.644   0.262
  108    HA   VAL  15           HA       VAL  15   5.224   4.095   1.401
  109    HB   VAL  15           HB       VAL  15   3.427   1.929   2.611
  110   HG11  VAL  15          1HG1      VAL  15   5.333   4.005   3.898
  111   HG12  VAL  15          2HG1      VAL  15   5.520   2.208   3.938
  112   HG13  VAL  15          3HG1      VAL  15   4.148   2.986   4.797
  113   HG21  VAL  15          3HG2      VAL  15   3.222   5.016   2.607
  114   HG22  VAL  15          1HG2      VAL  15   2.195   3.900   3.583
  115   HG23  VAL  15          2HG2      VAL  15   2.094   3.869   1.793
  116    H    PHE  16           H        PHE  16   4.537   0.778   0.278
  117    HA   PHE  16           HA       PHE  16   6.867  -0.414   1.356
  118    HB2  PHE  16           2HB      PHE  16   5.066  -1.237  -1.014
  119    HB3  PHE  16           1HB      PHE  16   6.354  -2.282  -0.315
  120    HD1  PHE  16           1HD      PHE  16   5.662  -1.488   2.738
  121    HD2  PHE  16           2HD      PHE  16   3.393  -2.865  -0.658
  122    HE1  PHE  16           1HE      PHE  16   4.052  -2.552   4.242
  123    HE2  PHE  16           2HE      PHE  16   1.778  -3.934   0.874
  124    HZ   PHE  16           HZ       PHE  16   2.107  -3.786   3.328
  125    H    ASN  17           H        ASN  17   6.160   1.403  -1.626
  126    HA   ASN  17           HA       ASN  17   8.688   0.599  -2.806
  127    HB2  ASN  17           2HB      ASN  17   6.506   2.581  -3.736
  128    HB3  ASN  17           1HB      ASN  17   7.956   2.119  -4.710
  129   HD21  ASN  17          1HD2      ASN  17   5.231   1.772  -5.569
  130   HD22  ASN  17          2HD2      ASN  17   4.938   0.076  -5.764
  131    H    HIS  18           H        HIS  18   7.598   3.017  -0.595
  132    HA   HIS  18           HA       HIS  18   9.411   5.063  -1.474
  133    HB2  HIS  18           2HB      HIS  18   7.268   5.637  -0.324
  134    HB3  HIS  18           1HB      HIS  18   7.835   4.786   1.145
  135    HD1  HIS  18           1HD      HIS  18   8.573   7.908  -0.967
  136    HD2  HIS  18           2HD      HIS  18   9.715   6.204   2.685
  137    HE1  HIS  18           1HE      HIS  18   9.926   9.651   0.325
  138    H    GLY  19           H        GLY  19   9.128   2.962   1.470
  139    HA2  GLY  19           2HA      GLY  19  11.847   3.630   2.190
  140    HA3  GLY  19           1HA      GLY  19  10.593   2.731   3.115
  141    H    GLU  20           H        GLU  20  10.497   1.268   0.154
  142    HA   GLU  20           HA       GLU  20  11.064  -0.662  -0.574
  143    HB2  GLU  20           2HB      GLU  20  13.833  -0.222   0.636
  144    HB3  GLU  20           1HB      GLU  20  13.406  -1.533  -0.509
  145    HG2  GLU  20           2HG      GLU  20  13.223   1.491  -1.128
  146    HG3  GLU  20           1HG      GLU  20  14.565   0.393  -1.617
  147    H    HIS  21           H        HIS  21   9.547  -0.668   1.710
  148    HA   HIS  21           HA       HIS  21  10.496  -2.820   3.339
  149    HB2  HIS  21           2HB      HIS  21   9.206  -0.934   4.396
  150    HB3  HIS  21           1HB      HIS  21   7.824  -1.317   3.318
  151    HD1  HIS  21           1HD      HIS  21   6.144  -2.119   5.078
  152    HD2  HIS  21           2HD      HIS  21   9.870  -3.990   5.569
  153    HE1  HIS  21           1HE      HIS  21   5.914  -3.893   6.902
  154    H    ILE  22           H        ILE  22   9.382  -4.861   3.344
  155    HA   ILE  22           HA       ILE  22   8.816  -6.677   2.349
  156    HB   ILE  22           HB       ILE  22   6.628  -5.192   0.849
  157   HG12  ILE  22          2HG1      ILE  22   6.456  -4.533   3.203
  158   HG13  ILE  22          1HG1      ILE  22   5.132  -5.638   2.720
  159   HG21  ILE  22          1HG2      ILE  22   5.482  -7.443   1.056
  160   HG22  ILE  22          2HG2      ILE  22   6.984  -8.121   1.791
  161   HG23  ILE  22          3HG2      ILE  22   6.993  -7.534   0.089
  162   HD11  ILE  22          3HD1      ILE  22   7.611  -6.448   4.385
  163   HD12  ILE  22          1HD1      ILE  22   6.271  -7.551   3.890
  164   HD13  ILE  22          2HD1      ILE  22   5.945  -6.174   5.000
  165    H    HIS  23           H        HIS  23  10.990  -6.443   1.339
  166    HA   HIS  23           HA       HIS  23  10.866  -6.565  -1.501
  167    HB2  HIS  23           2HB      HIS  23  11.010  -4.060  -1.032
  168    HB3  HIS  23           1HB      HIS  23  12.486  -4.361  -0.056
  169    HD1  HIS  23           1HD      HIS  23  14.653  -4.164  -1.410
  170    HD2  HIS  23           2HD      HIS  23  11.347  -4.828  -3.906
  171    HE1  HIS  23           1HE      HIS  23  15.443  -4.004  -3.834
  172    H    HIS  24           H        HIS  24  13.047  -7.214  -2.349
  173    HA   HIS  24           HA       HIS  24  14.203  -9.111  -0.523
  174    HB2  HIS  24           2HB      HIS  24  13.720  -9.719  -2.907
  175    HB3  HIS  24           1HB      HIS  24  14.860  -8.444  -3.449
  176    HD1  HIS  24           1HD      HIS  24  16.229 -10.429  -4.625
  177    HD2  HIS  24           2HD      HIS  24  16.100 -10.720  -0.439
  178    HE1  HIS  24           1HE      HIS  24  17.977 -12.142  -3.887
  179    HN1  NH2  25           1H       NH2  25  15.856  -8.460   0.839
  180    HN2  NH2  25           2H       NH2  25  17.057  -7.266   0.475
  Start of MODEL    3
    1    H1   ACE   1           1HY      ACE   1 -11.372   8.578  -1.223
    2    H2   ACE   1           2HY      ACE   1 -10.481   9.148   0.242
    3    H3   ACE   1           3HY      ACE   1 -10.410   7.409  -0.240
    4    H    PHE   2           H        PHE   2 -11.556   6.182   1.144
    5    HA   PHE   2           HA       PHE   2 -13.015   5.384   2.488
    6    HB2  PHE   2           2HB      PHE   2 -13.817   8.255   3.229
    7    HB3  PHE   2           1HB      PHE   2 -14.258   6.763   4.148
    8    HD1  PHE   2           2HD      PHE   2 -12.348   5.246   4.962
    9    HD2  PHE   2           1HD      PHE   2 -11.727   9.298   3.662
   10    HE1  PHE   2           2HE      PHE   2 -10.187   5.303   6.164
   11    HE2  PHE   2           1HE      PHE   2  -9.568   9.352   4.869
   12    HZ   PHE   2           HZ       PHE   2  -8.792   7.354   6.119
   13    H    GLU   3           H        GLU   3 -13.718   5.280  -0.105
   14    HA   GLU   3           HA       GLU   3 -16.633   5.708  -0.109
   15    HB2  GLU   3           2HB      GLU   3 -14.698   5.230  -2.451
   16    HB3  GLU   3           1HB      GLU   3 -16.468   5.539  -2.577
   17    HG2  GLU   3           2HG      GLU   3 -16.139   7.843  -1.639
   18    HG3  GLU   3           1HG      GLU   3 -14.370   7.535  -1.485
   19    H    ASP   4           H        ASP   4 -14.647   3.495   0.994
   20    HA   ASP   4           HA       ASP   4 -14.439   1.334   1.152
   21    HB2  ASP   4           2HB      ASP   4 -17.151   1.008  -0.243
   22    HB3  ASP   4           1HB      ASP   4 -16.256  -0.268   0.663
   23    H    LEU   5           H        LEU   5 -12.978   2.512  -0.696
   24    HA   LEU   5           HA       LEU   5 -13.231   1.092  -3.206
   25    HB2  LEU   5           2HB      LEU   5 -11.218   2.795  -3.747
   26    HB3  LEU   5           1HB      LEU   5 -12.933   3.306  -3.769
   27    HG   LEU   5           HG       LEU   5 -12.764   4.304  -1.542
   28   HD11  LEU   5          1HD1      LEU   5 -10.537   4.746  -0.467
   29   HD12  LEU   5          2HD1      LEU   5  -9.772   3.558  -1.586
   30   HD13  LEU   5          3HD1      LEU   5 -11.009   3.016  -0.401
   31   HD21  LEU   5          3HD2      LEU   5 -10.593   5.298  -3.482
   32   HD22  LEU   5          1HD2      LEU   5 -11.412   6.260  -2.196
   33   HD23  LEU   5          2HD2      LEU   5 -12.361   5.637  -3.594
   34    HA   PRO   6           HA       PRO   6  -9.726  -1.346  -2.036
   35    HB2  PRO   6           2HB      PRO   6  -8.745  -2.268  -4.466
   36    HB3  PRO   6           1HB      PRO   6 -10.429  -2.647  -3.942
   37    HG2  PRO   6           2HG      PRO   6  -9.536  -0.342  -5.766
   38    HG3  PRO   6           1HG      PRO   6 -10.805  -1.597  -6.098
   39    HD2  PRO   6           2HD      PRO   6 -11.418   0.898  -5.042
   40    HD3  PRO   6           1HD      PRO   6 -12.322  -0.600  -4.518
   41    H    ASN   7           H        ASN   7  -9.342   1.682  -2.803
   42    HA   ASN   7           HA       ASN   7  -6.524   1.671  -3.536
   43    HB2  ASN   7           2HB      ASN   7  -8.486   4.001  -3.156
   44    HB3  ASN   7           1HB      ASN   7  -6.775   4.166  -3.701
   45   HD21  ASN   7          1HD2      ASN   7  -9.897   4.086  -4.887
   46   HD22  ASN   7          2HD2      ASN   7  -9.604   3.469  -6.479
   47    H    PHE   8           H        PHE   8  -8.171   1.195  -0.746
   48    HA   PHE   8           HA       PHE   8  -6.682   2.792   1.082
   49    HB2  PHE   8           2HB      PHE   8  -7.948  -0.012   1.459
   50    HB3  PHE   8           1HB      PHE   8  -7.314   1.024   2.794
   51    HD1  PHE   8           1HD      PHE   8  -8.398   3.703   2.257
   52    HD2  PHE   8           2HD      PHE   8 -10.208  -0.172   1.776
   53    HE1  PHE   8           1HE      PHE   8 -10.623   4.691   2.627
   54    HE2  PHE   8           2HE      PHE   8 -12.433   0.823   2.156
   55    HZ   PHE   8           HZ       PHE   8 -12.653   3.249   2.582
   56    H    GLY   9           H        GLY   9  -6.304  -0.414  -0.477
   57    HA2  GLY   9           2HA      GLY   9  -3.915  -1.054   0.959
   58    HA3  GLY   9           1HA      GLY   9  -4.727  -1.940  -0.385
   59    H    HIS  10           H        HIS  10  -4.652   0.845  -1.858
   60    HA   HIS  10           HA       HIS  10  -2.210   0.354  -3.254
   61    HB2  HIS  10           2HB      HIS  10  -4.289   1.116  -4.411
   62    HB3  HIS  10           1HB      HIS  10  -4.249   2.650  -3.486
   63    HD1  HIS  10           1HD      HIS  10  -2.376   4.405  -4.262
   64    HD2  HIS  10           2HD      HIS  10  -2.470   0.901  -6.567
   65    HE1  HIS  10           1HE      HIS  10  -0.973   4.798  -6.362
   66    H    ILE  11           H        ILE  11  -3.353   2.433  -0.653
   67    HA   ILE  11           HA       ILE  11  -1.259   4.366  -0.809
   68    HB   ILE  11           HB       ILE  11  -3.400   3.689   1.243
   69   HG12  ILE  11          2HG1      ILE  11  -2.985   6.233  -0.443
   70   HG13  ILE  11          1HG1      ILE  11  -3.946   4.841  -1.035
   71   HG21  ILE  11          1HG2      ILE  11  -1.464   4.540   2.552
   72   HG22  ILE  11          2HG2      ILE  11  -2.709   5.817   2.447
   73   HG23  ILE  11          3HG2      ILE  11  -1.250   5.911   1.396
   74   HD11  ILE  11          3HD1      ILE  11  -5.462   6.514  -0.074
   75   HD12  ILE  11          1HD1      ILE  11  -4.573   6.503   1.490
   76   HD13  ILE  11          2HD1      ILE  11  -5.478   5.036   0.957
   77    H    GLN  12           H        GLN  12  -1.841   1.246   0.860
   78    HA   GLN  12           HA       GLN  12   0.318   1.479   2.650
   79    HB2  GLN  12           2HB      GLN  12  -0.998  -1.069   1.540
   80    HB3  GLN  12           1HB      GLN  12   0.063  -0.976   2.987
   81    HG2  GLN  12           2HG      GLN  12  -2.733   0.292   2.654
   82    HG3  GLN  12           1HG      GLN  12  -2.306  -1.142   3.647
   83   HE21  GLN  12          1HE2      GLN  12  -2.830   2.210   3.779
   84   HE22  GLN  12          2HE2      GLN  12  -1.997   2.576   5.253
   85    H    VAL  13           H        VAL  13  -0.027   0.119  -0.648
   86    HA   VAL  13           HA       VAL  13   2.531  -1.042  -0.721
   87    HB   VAL  13           HB       VAL  13   0.458  -0.371  -2.846
   88   HG11  VAL  13          1HG1      VAL  13   2.644  -0.353  -4.035
   89   HG12  VAL  13          2HG1      VAL  13   1.786  -1.889  -4.386
   90   HG13  VAL  13          3HG1      VAL  13   3.144  -1.876  -3.201
   91   HG21  VAL  13          3HG2      VAL  13   1.439  -3.028  -1.587
   92   HG22  VAL  13          1HG2      VAL  13   0.112  -2.848  -2.794
   93   HG23  VAL  13          2HG2      VAL  13  -0.079  -2.180  -1.134
   94    H    LYS  14           H        LYS  14   1.311   2.136  -1.383
   95    HA   LYS  14           HA       LYS  14   3.420   3.075  -2.935
   96    HB2  LYS  14           2HB      LYS  14   1.058   4.106  -2.560
   97    HB3  LYS  14           1HB      LYS  14   1.689   4.757  -1.018
   98    HG2  LYS  14           2HG      LYS  14   1.772   6.488  -2.711
   99    HG3  LYS  14           1HG      LYS  14   3.470   6.004  -2.372
  100    HD2  LYS  14           2HD      LYS  14   3.456   4.572  -4.446
  101    HD3  LYS  14           1HD      LYS  14   1.728   4.970  -4.700
  102    HE2  LYS  14           2HE      LYS  14   3.159   6.326  -6.222
  103    HE3  LYS  14           1HE      LYS  14   2.348   7.411  -5.020
  104    HZ1  LYS  14           3HZ      LYS  14   4.657   7.948  -5.315
  105    HZ2  LYS  14           1HZ      LYS  14   5.135   6.383  -4.863
  106    HZ3  LYS  14           2HZ      LYS  14   4.378   7.400  -3.732
  107    H    VAL  15           H        VAL  15   2.929   2.875   0.588
  108    HA   VAL  15           HA       VAL  15   5.166   4.478   1.294
  109    HB   VAL  15           HB       VAL  15   3.424   2.509   2.857
  110   HG11  VAL  15          1HG1      VAL  15   5.618   2.645   4.021
  111   HG12  VAL  15          2HG1      VAL  15   4.408   3.626   4.911
  112   HG13  VAL  15          3HG1      VAL  15   5.622   4.446   3.862
  113   HG21  VAL  15          3HG2      VAL  15   2.265   4.582   1.984
  114   HG22  VAL  15          1HG2      VAL  15   3.534   5.602   2.747
  115   HG23  VAL  15          2HG2      VAL  15   2.429   4.615   3.773
  116    H    PHE  16           H        PHE  16   4.557   0.989   0.712
  117    HA   PHE  16           HA       PHE  16   7.012   0.127   1.842
  118    HB2  PHE  16           2HB      PHE  16   5.209  -1.306  -0.208
  119    HB3  PHE  16           1HB      PHE  16   6.496  -2.081   0.795
  120    HD1  PHE  16           2HD      PHE  16   5.660  -0.481   3.477
  121    HD2  PHE  16           1HD      PHE  16   3.537  -2.796   0.524
  122    HE1  PHE  16           2HE      PHE  16   3.933  -1.019   5.132
  123    HE2  PHE  16           1HE      PHE  16   1.811  -3.335   2.204
  124    HZ   PHE  16           HZ       PHE  16   1.998  -2.440   4.510
  125    H    ASN  17           H        ASN  17   5.971   1.242  -1.345
  126    HA   ASN  17           HA       ASN  17   8.204   0.201  -2.761
  127    HB2  ASN  17           2HB      ASN  17   5.850   0.616  -3.699
  128    HB3  ASN  17           1HB      ASN  17   6.173   2.381  -3.587
  129   HD21  ASN  17          1HD2      ASN  17   5.591   2.074  -5.967
  130   HD22  ASN  17          2HD2      ASN  17   6.870   1.730  -7.086
  131    H    HIS  18           H        HIS  18   7.331   3.213  -1.072
  132    HA   HIS  18           HA       HIS  18   9.453   4.775  -2.155
  133    HB2  HIS  18           2HB      HIS  18   7.326   5.765  -1.288
  134    HB3  HIS  18           1HB      HIS  18   7.712   5.176   0.358
  135    HD1  HIS  18           1HD      HIS  18   9.817   6.472   1.542
  136    HD2  HIS  18           2HD      HIS  18   8.551   8.132  -2.098
  137    HE1  HIS  18           1HE      HIS  18  10.837   8.805   1.335
  138    H    GLY  19           H        GLY  19   8.891   2.733   0.727
  139    HA2  GLY  19           2HA      GLY  19  11.263   3.526   2.072
  140    HA3  GLY  19           1HA      GLY  19  10.113   2.192   2.456
  141    H    GLU  20           H        GLU  20  10.622   1.326  -0.533
  142    HA   GLU  20           HA       GLU  20  13.042  -0.212  -0.009
  143    HB2  GLU  20           2HB      GLU  20  11.006  -1.460  -0.704
  144    HB3  GLU  20           1HB      GLU  20  10.899  -0.487  -2.198
  145    HG2  GLU  20           2HG      GLU  20  13.179  -1.413  -2.901
  146    HG3  GLU  20           1HG      GLU  20  13.209  -2.402  -1.395
  147    H    HIS  21           H        HIS  21  11.687   0.925  -3.098
  148    HA   HIS  21           HA       HIS  21  12.403   2.081  -4.740
  149    HB2  HIS  21           2HB      HIS  21  11.843   3.922  -3.171
  150    HB3  HIS  21           1HB      HIS  21  13.538   3.958  -2.609
  151    HD1  HIS  21           1HD      HIS  21  14.191   6.273  -3.477
  152    HD2  HIS  21           2HD      HIS  21  12.372   3.990  -6.494
  153    HE1  HIS  21           1HE      HIS  21  14.381   7.558  -5.677
  154    H    ILE  22           H        ILE  22  15.138   3.779  -4.013
  155    HA   ILE  22           HA       ILE  22  16.964   1.699  -4.969
  156    HB   ILE  22           HB       ILE  22  17.278   4.740  -4.930
  157   HG12  ILE  22          2HG1      ILE  22  16.802   2.823  -7.293
  158   HG13  ILE  22          1HG1      ILE  22  15.570   3.924  -6.586
  159   HG21  ILE  22          1HG2      ILE  22  19.385   4.245  -6.218
  160   HG22  ILE  22          2HG2      ILE  22  19.068   2.477  -6.071
  161   HG23  ILE  22          3HG2      ILE  22  19.442   3.463  -4.609
  162   HD11  ILE  22          3HD1      ILE  22  17.002   5.911  -7.164
  163   HD12  ILE  22          1HD1      ILE  22  16.491   4.954  -8.604
  164   HD13  ILE  22          2HD1      ILE  22  18.173   4.809  -7.983
  165    H    HIS  23           H        HIS  23  17.218   4.623  -3.081
  166    HA   HIS  23           HA       HIS  23  18.365   3.233  -0.835
  167    HB2  HIS  23           2HB      HIS  23  19.467   5.342  -1.681
  168    HB3  HIS  23           1HB      HIS  23  17.983   6.256  -1.258
  169    HD1  HIS  23           1HD      HIS  23  17.634   6.685   1.365
  170    HD2  HIS  23           2HD      HIS  23  21.111   4.502   0.493
  171    HE1  HIS  23           1HE      HIS  23  19.067   6.590   3.476
  172    H    HIS  24           H        HIS  24  17.345   3.420   1.290
  173    HA   HIS  24           HA       HIS  24  14.551   3.154   1.110
  174    HB2  HIS  24           2HB      HIS  24  14.697   2.871   3.642
  175    HB3  HIS  24           1HB      HIS  24  15.670   1.746   2.647
  176    HD1  HIS  24           1HD      HIS  24  16.223   4.751   4.965
  177    HD2  HIS  24           2HD      HIS  24  18.413   1.782   2.969
  178    HE1  HIS  24           1HE      HIS  24  18.627   4.819   5.829
  179    HN1  NH2  25           1H       NH2  25  12.958   4.663   1.357
  180    HN2  NH2  25           2H       NH2  25  13.165   6.256   2.005
  Start of MODEL    4
    1    H1   ACE   1           1HY      ACE   1 -17.787   9.822  -5.101
    2    H2   ACE   1           2HY      ACE   1 -17.595   8.536  -6.353
    3    H3   ACE   1           3HY      ACE   1 -19.163   8.715  -5.474
    4    H    PHE   2           H        PHE   2 -18.438   6.240  -5.300
    5    HA   PHE   2           HA       PHE   2 -17.424   5.858  -2.615
    6    HB2  PHE   2           2HB      PHE   2 -19.550   4.716  -3.307
    7    HB3  PHE   2           1HB      PHE   2 -18.683   3.874  -4.634
    8    HD1  PHE   2           1HD      PHE   2 -18.667   4.369  -0.886
    9    HD2  PHE   2           2HD      PHE   2 -17.654   1.785  -4.170
   10    HE1  PHE   2           1HE      PHE   2 -18.045   2.583   0.707
   11    HE2  PHE   2           2HE      PHE   2 -17.024   0.005  -2.575
   12    HZ   PHE   2           HZ       PHE   2 -17.218   0.398  -0.133
   13    H    GLU   3           H        GLU   3 -17.013   4.113  -5.707
   14    HA   GLU   3           HA       GLU   3 -15.322   3.367  -6.846
   15    HB2  GLU   3           2HB      GLU   3 -14.114   5.516  -6.452
   16    HB3  GLU   3           1HB      GLU   3 -13.269   4.742  -5.068
   17    HG2  GLU   3           2HG      GLU   3 -12.311   3.013  -6.606
   18    HG3  GLU   3           1HG      GLU   3 -13.226   3.716  -7.990
   19    H    ASP   4           H        ASP   4 -14.937   1.218  -6.806
   20    HA   ASP   4           HA       ASP   4 -14.991  -0.047  -4.205
   21    HB2  ASP   4           2HB      ASP   4 -15.300  -1.204  -7.045
   22    HB3  ASP   4           1HB      ASP   4 -15.522  -2.119  -5.508
   23    H    LEU   5           H        LEU   5 -12.469   1.168  -5.814
   24    HA   LEU   5           HA       LEU   5 -10.793  -1.143  -6.016
   25    HB2  LEU   5           2HB      LEU   5 -10.372   1.885  -6.206
   26    HB3  LEU   5           1HB      LEU   5  -8.950   0.801  -6.085
   27    HG   LEU   5           HG       LEU   5  -9.438   1.547  -8.373
   28   HD11  LEU   5          1HD1      LEU   5  -9.634  -1.515  -8.065
   29   HD12  LEU   5          2HD1      LEU   5  -8.132  -0.523  -7.918
   30   HD13  LEU   5          3HD1      LEU   5  -9.019  -0.593  -9.486
   31   HD21  LEU   5          3HD2      LEU   5 -11.937   1.552  -8.381
   32   HD22  LEU   5          1HD2      LEU   5 -11.943  -0.252  -8.346
   33   HD23  LEU   5          2HD2      LEU   5 -11.240   0.620  -9.754
   34    HA   PRO   6           HA       PRO   6  -9.473  -0.686  -1.703
   35    HB2  PRO   6           2HB      PRO   6  -7.080  -2.072  -1.706
   36    HB3  PRO   6           1HB      PRO   6  -8.670  -2.895  -1.917
   37    HG2  PRO   6           2HG      PRO   6  -6.707  -2.060  -4.115
   38    HG3  PRO   6           1HG      PRO   6  -7.544  -3.653  -3.898
   39    HD2  PRO   6           2HD      PRO   6  -8.474  -1.617  -5.582
   40    HD3  PRO   6           1HD      PRO   6  -9.606  -2.770  -4.733
   41    H    ASN   7           H        ASN   7  -9.277   1.658  -1.875
   42    HA   ASN   7           HA       ASN   7  -7.014   2.804  -3.129
   43    HB2  ASN   7           2HB      ASN   7  -9.174   4.057  -1.322
   44    HB3  ASN   7           1HB      ASN   7  -7.979   4.990  -2.303
   45   HD21  ASN   7          1HD2      ASN   7 -11.164   4.066  -2.352
   46   HD22  ASN   7          2HD2      ASN   7 -11.430   3.917  -4.058
   47    H    PHE   8           H        PHE   8  -7.831   1.830   0.077
   48    HA   PHE   8           HA       PHE   8  -5.720   3.309   1.375
   49    HB2  PHE   8           2HB      PHE   8  -7.508   1.012   2.418
   50    HB3  PHE   8           1HB      PHE   8  -6.398   2.024   3.430
   51    HD1  PHE   8           1HD      PHE   8  -6.752   4.595   3.341
   52    HD2  PHE   8           2HD      PHE   8  -9.714   1.763   2.043
   53    HE1  PHE   8           1HE      PHE   8  -8.506   6.325   3.568
   54    HE2  PHE   8           2HE      PHE   8 -11.467   3.494   2.271
   55    HZ   PHE   8           HZ       PHE   8 -10.866   5.779   3.030
   56    H    GLY   9           H        GLY   9  -6.175   0.244  -0.263
   57    HA2  GLY   9           2HA      GLY   9  -3.866  -1.025   0.887
   58    HA3  GLY   9           1HA      GLY   9  -4.942  -1.575  -0.453
   59    H    HIS  10           H        HIS  10  -4.557   1.223  -1.724
   60    HA   HIS  10           HA       HIS  10  -2.204   0.531  -3.246
   61    HB2  HIS  10           2HB      HIS  10  -4.099   2.945  -3.461
   62    HB3  HIS  10           1HB      HIS  10  -2.765   2.553  -4.604
   63    HD1  HIS  10           1HD      HIS  10  -3.370  -0.557  -4.911
   64    HD2  HIS  10           2HD      HIS  10  -6.210   2.515  -5.229
   65    HE1  HIS  10           1HE      HIS  10  -5.307  -1.408  -6.343
   66    H    ILE  11           H        ILE  11  -3.153   2.641  -0.599
   67    HA   ILE  11           HA       ILE  11  -0.877   4.385  -0.794
   68    HB   ILE  11           HB       ILE  11  -3.088   3.979   1.261
   69   HG12  ILE  11          2HG1      ILE  11  -2.422   6.388  -0.547
   70   HG13  ILE  11          1HG1      ILE  11  -3.560   5.092  -1.031
   71   HG21  ILE  11          1HG2      ILE  11  -0.730   5.988   1.333
   72   HG22  ILE  11          2HG2      ILE  11  -1.062   4.679   2.532
   73   HG23  ILE  11          3HG2      ILE  11  -2.181   6.064   2.399
   74   HD11  ILE  11          3HD1      ILE  11  -4.996   5.596   0.985
   75   HD12  ILE  11          1HD1      ILE  11  -4.839   6.987  -0.149
   76   HD13  ILE  11          2HD1      ILE  11  -3.907   6.976   1.391
   77    H    GLN  12           H        GLN  12  -1.811   1.340   0.788
   78    HA   GLN  12           HA       GLN  12   0.208   1.290   2.726
   79    HB2  GLN  12           2HB      GLN  12  -1.917  -0.066   2.729
   80    HB3  GLN  12           1HB      GLN  12  -1.270  -1.040   1.371
   81    HG2  GLN  12           2HG      GLN  12   0.651  -1.783   2.862
   82    HG3  GLN  12           1HG      GLN  12  -0.052  -0.824   4.216
   83   HE21  GLN  12          1HE2      GLN  12  -2.524  -1.335   4.611
   84   HE22  GLN  12          2HE2      GLN  12  -2.972  -3.008   4.588
   85    H    VAL  13           H        VAL  13  -0.003   0.086  -0.649
   86    HA   VAL  13           HA       VAL  13   2.537  -1.210  -0.527
   87    HB   VAL  13           HB       VAL  13   0.525  -0.735  -2.767
   88   HG11  VAL  13          1HG1      VAL  13   2.749  -0.995  -3.845
   89   HG12  VAL  13          2HG1      VAL  13   1.830  -2.526  -4.015
   90   HG13  VAL  13          3HG1      VAL  13   3.136  -2.404  -2.780
   91   HG21  VAL  13          3HG2      VAL  13   1.295  -3.224  -1.088
   92   HG22  VAL  13          1HG2      VAL  13   0.067  -3.179  -2.405
   93   HG23  VAL  13          2HG2      VAL  13  -0.211  -2.265  -0.884
   94    H    LYS  14           H        LYS  14   1.427   1.989  -1.141
   95    HA   LYS  14           HA       LYS  14   3.558   2.801  -2.853
   96    HB2  LYS  14           2HB      LYS  14   1.498   3.973  -3.031
   97    HB3  LYS  14           1HB      LYS  14   1.370   4.224  -1.267
   98    HG2  LYS  14           2HG      LYS  14   3.704   5.517  -2.742
   99    HG3  LYS  14           1HG      LYS  14   2.048   6.175  -2.958
  100    HD2  LYS  14           2HD      LYS  14   1.751   6.463  -0.530
  101    HD3  LYS  14           1HD      LYS  14   3.355   5.746  -0.208
  102    HE2  LYS  14           2HE      LYS  14   3.502   8.211  -0.037
  103    HE3  LYS  14           1HE      LYS  14   4.474   7.642  -1.455
  104    HZ1  LYS  14           3HZ      LYS  14   1.721   8.766  -1.545
  105    HZ2  LYS  14           1HZ      LYS  14   2.628   8.234  -2.878
  106    HZ3  LYS  14           2HZ      LYS  14   3.157   9.568  -1.970
  107    H    VAL  15           H        VAL  15   3.013   2.503   0.650
  108    HA   VAL  15           HA       VAL  15   5.321   4.015   1.392
  109    HB   VAL  15           HB       VAL  15   3.502   2.082   2.897
  110   HG11  VAL  15          1HG1      VAL  15   5.720   1.981   4.011
  111   HG12  VAL  15          2HG1      VAL  15   4.615   3.005   4.985
  112   HG13  VAL  15          3HG1      VAL  15   5.868   3.782   3.949
  113   HG21  VAL  15          3HG2      VAL  15   2.693   4.206   3.951
  114   HG22  VAL  15          1HG2      VAL  15   2.499   4.293   2.167
  115   HG23  VAL  15          2HG2      VAL  15   3.858   5.160   2.961
  116    H    PHE  16           H        PHE  16   4.586   0.639   0.485
  117    HA   PHE  16           HA       PHE  16   7.111  -0.342   1.427
  118    HB2  PHE  16           2HB      PHE  16   5.077  -1.626  -0.495
  119    HB3  PHE  16           1HB      PHE  16   6.490  -2.467   0.253
  120    HD1  PHE  16           1HD      PHE  16   6.100  -1.144   3.146
  121    HD2  PHE  16           2HD      PHE  16   3.499  -3.154   0.355
  122    HE1  PHE  16           1HE      PHE  16   4.692  -1.903   4.998
  123    HE2  PHE  16           2HE      PHE  16   2.090  -3.912   2.235
  124    HZ   PHE  16           HZ       PHE  16   2.680  -3.286   4.562
  125    H    ASN  17           H        ASN  17   6.094   1.423  -1.366
  126    HA   ASN  17           HA       ASN  17   8.310   0.421  -2.980
  127    HB2  ASN  17           2HB      ASN  17   6.168   2.583  -3.530
  128    HB3  ASN  17           1HB      ASN  17   7.455   2.098  -4.702
  129   HD21  ASN  17          1HD2      ASN  17   4.631   1.944  -5.223
  130   HD22  ASN  17          2HD2      ASN  17   4.213   0.279  -5.456
  131    H    HIS  18           H        HIS  18   7.201   3.525  -1.462
  132    HA   HIS  18           HA       HIS  18   9.448   4.968  -2.280
  133    HB2  HIS  18           2HB      HIS  18   7.211   5.954  -1.636
  134    HB3  HIS  18           1HB      HIS  18   7.539   5.502   0.066
  135    HD1  HIS  18           1HD      HIS  18   8.821   7.868  -2.681
  136    HD2  HIS  18           2HD      HIS  18   9.333   7.194   1.422
  137    HE1  HIS  18           1HE      HIS  18  10.170   9.816  -1.723
  138    H    GLY  19           H        GLY  19   8.585   3.257   0.761
  139    HA2  GLY  19           2HA      GLY  19  11.063   4.042   2.020
  140    HA3  GLY  19           1HA      GLY  19   9.669   3.116   2.684
  141    H    GLU  20           H        GLU  20  10.015   1.451  -0.055
  142    HA   GLU  20           HA       GLU  20  10.793  -0.482  -0.577
  143    HB2  GLU  20           2HB      GLU  20  13.391   0.469   0.703
  144    HB3  GLU  20           1HB      GLU  20  13.251  -1.096  -0.152
  145    HG2  GLU  20           2HG      GLU  20  12.594   1.620  -1.469
  146    HG3  GLU  20           1HG      GLU  20  14.204   0.814  -1.540
  147    H    HIS  21           H        HIS  21   9.080  -0.661   1.372
  148    HA   HIS  21           HA       HIS  21   8.246  -1.856   2.923
  149    HB2  HIS  21           2HB      HIS  21   8.773  -3.647   1.287
  150    HB3  HIS  21           1HB      HIS  21  10.329  -3.949   2.115
  151    HD1  HIS  21           1HD      HIS  21   9.437  -6.442   2.448
  152    HD2  HIS  21           2HD      HIS  21   7.182  -3.575   4.533
  153    HE1  HIS  21           1HE      HIS  21   7.984  -7.652   4.165
  154    H    ILE  22           H        ILE  22  10.430  -3.942   4.227
  155    HA   ILE  22           HA       ILE  22  11.334  -2.070   6.282
  156    HB   ILE  22           HB       ILE  22  11.904  -3.962   7.691
  157   HG12  ILE  22          2HG1      ILE  22  10.464  -5.785   5.650
  158   HG13  ILE  22          1HG1      ILE  22  12.248  -5.716   5.888
  159   HG21  ILE  22          1HG2      ILE  22   8.967  -3.956   6.722
  160   HG22  ILE  22          2HG2      ILE  22   9.719  -2.723   7.801
  161   HG23  ILE  22          3HG2      ILE  22   9.563  -4.425   8.356
  162   HD11  ILE  22          3HD1      ILE  22  11.944  -6.404   8.286
  163   HD12  ILE  22          1HD1      ILE  22  11.318  -7.621   7.113
  164   HD13  ILE  22          2HD1      ILE  22  10.168  -6.558   8.001
  165    H    HIS  23           H        HIS  23  12.230  -4.331   3.814
  166    HA   HIS  23           HA       HIS  23  14.593  -2.919   3.272
  167    HB2  HIS  23           2HB      HIS  23  15.587  -4.374   5.084
  168    HB3  HIS  23           1HB      HIS  23  14.918  -5.827   4.273
  169    HD1  HIS  23           1HD      HIS  23  17.317  -2.902   3.448
  170    HD2  HIS  23           2HD      HIS  23  16.768  -6.938   2.418
  171    HE1  HIS  23           1HE      HIS  23  19.225  -3.605   1.902
  172    H    HIS  24           H        HIS  24  14.843  -3.078   1.099
  173    HA   HIS  24           HA       HIS  24  14.488  -3.569  -0.967
  174    HB2  HIS  24           2HB      HIS  24  16.124  -5.333  -0.309
  175    HB3  HIS  24           1HB      HIS  24  14.766  -6.478  -0.065
  176    HD1  HIS  24           1HD      HIS  24  16.017  -4.199  -2.955
  177    HD2  HIS  24           2HD      HIS  24  14.368  -8.005  -2.328
  178    HE1  HIS  24           1HE      HIS  24  15.870  -5.384  -5.214
  179    HN1  NH2  25           1H       NH2  25  12.142  -2.761  -0.453
  180    HN2  NH2  25           2H       NH2  25  10.868  -3.819  -0.963
  Start of MODEL    5
    1    H1   ACE   1           1HY      ACE   1 -23.472  -3.843  -0.158
    2    H2   ACE   1           2HY      ACE   1 -22.357  -5.259  -0.265
    3    H3   ACE   1           3HY      ACE   1 -21.899  -3.823   0.730
    4    H    PHE   2           H        PHE   2 -22.189  -1.644  -0.738
    5    HA   PHE   2           HA       PHE   2 -20.881  -2.061  -3.324
    6    HB2  PHE   2           2HB      PHE   2 -22.952  -0.571  -3.251
    7    HB3  PHE   2           1HB      PHE   2 -22.085   0.516  -2.108
    8    HD1  PHE   2           2HD      PHE   2 -21.787  -1.085  -5.523
    9    HD2  PHE   2           1HD      PHE   2 -20.736   2.244  -3.012
   10    HE1  PHE   2           2HE      PHE   2 -20.758   0.056  -7.462
   11    HE2  PHE   2           1HE      PHE   2 -19.707   3.381  -4.953
   12    HZ   PHE   2           HZ       PHE   2 -19.715   2.289  -7.181
   13    H    GLU   3           H        GLU   3 -18.831  -1.328  -3.636
   14    HA   GLU   3           HA       GLU   3 -16.798  -0.646  -3.289
   15    HB2  GLU   3           2HB      GLU   3 -17.887   1.528  -2.834
   16    HB3  GLU   3           1HB      GLU   3 -17.798   1.213  -1.079
   17    HG2  GLU   3           2HG      GLU   3 -15.327   1.237  -2.959
   18    HG3  GLU   3           1HG      GLU   3 -15.989   2.727  -2.198
   19    H    ASP   4           H        ASP   4 -16.032  -2.665  -2.776
   20    HA   ASP   4           HA       ASP   4 -15.321  -3.040   0.058
   21    HB2  ASP   4           2HB      ASP   4 -16.012  -5.216  -2.029
   22    HB3  ASP   4           1HB      ASP   4 -15.404  -5.526  -0.355
   23    H    LEU   5           H        LEU   5 -13.932  -1.430  -1.722
   24    HA   LEU   5           HA       LEU   5 -11.887  -3.018  -3.010
   25    HB2  LEU   5           2HB      LEU   5 -12.958  -1.040  -4.156
   26    HB3  LEU   5           1HB      LEU   5 -12.358   0.015  -2.834
   27    HG   LEU   5           HG       LEU   5  -9.983  -0.590  -3.495
   28   HD11  LEU   5          1HD1      LEU   5 -10.379  -2.750  -4.683
   29   HD12  LEU   5          2HD1      LEU   5  -9.563  -1.560  -5.756
   30   HD13  LEU   5          3HD1      LEU   5 -11.324  -1.890  -5.956
   31   HD21  LEU   5          3HD2      LEU   5 -11.051   1.527  -4.202
   32   HD22  LEU   5          1HD2      LEU   5 -11.726   0.725  -5.671
   33   HD23  LEU   5          2HD2      LEU   5  -9.942   0.909  -5.481
   34    HA   PRO   6           HA       PRO   6  -9.196  -1.816   0.530
   35    HB2  PRO   6           2HB      PRO   6  -7.070  -2.980  -1.355
   36    HB3  PRO   6           1HB      PRO   6  -7.283  -3.239   0.421
   37    HG2  PRO   6           2HG      PRO   6  -8.038  -5.154  -1.379
   38    HG3  PRO   6           1HG      PRO   6  -9.124  -4.761   0.021
   39    HD2  PRO   6           2HD      PRO   6  -9.326  -3.696  -2.863
   40    HD3  PRO   6           1HD      PRO   6 -10.631  -4.418  -1.808
   41    H    ASN   7           H        ASN   7  -9.625   0.448   0.041
   42    HA   ASN   7           HA       ASN   7  -8.468   1.649  -2.235
   43    HB2  ASN   7           2HB      ASN   7 -10.715   2.311  -1.215
   44    HB3  ASN   7           1HB      ASN   7  -9.830   2.955   0.208
   45   HD21  ASN   7          1HD2      ASN   7  -9.824   3.184  -3.441
   46   HD22  ASN   7          2HD2      ASN   7  -9.539   4.892  -3.517
   47    H    PHE   8           H        PHE   8  -7.922   1.619   1.194
   48    HA   PHE   8           HA       PHE   8  -5.551   3.299   1.053
   49    HB2  PHE   8           2HB      PHE   8  -6.884   1.906   3.462
   50    HB3  PHE   8           1HB      PHE   8  -5.498   3.070   3.556
   51    HD1  PHE   8           1HD      PHE   8  -5.849   5.390   2.421
   52    HD2  PHE   8           2HD      PHE   8  -9.086   2.767   3.489
   53    HE1  PHE   8           1HE      PHE   8  -7.423   7.295   2.337
   54    HE2  PHE   8           2HE      PHE   8 -10.657   4.676   3.405
   55    HZ   PHE   8           HZ       PHE   8  -9.830   6.942   2.826
   56    H    GLY   9           H        GLY   9  -6.273   0.111   0.404
   57    HA2  GLY   9           2HA      GLY   9  -3.797  -1.022   1.394
   58    HA3  GLY   9           1HA      GLY   9  -5.113  -1.788   0.425
   59    H    HIS  10           H        HIS  10  -4.774   1.020  -1.146
   60    HA   HIS  10           HA       HIS  10  -2.793   0.043  -3.044
   61    HB2  HIS  10           2HB      HIS  10  -4.564   2.562  -3.138
   62    HB3  HIS  10           1HB      HIS  10  -3.501   1.954  -4.456
   63    HD1  HIS  10           1HD      HIS  10  -4.330  -1.014  -4.611
   64    HD2  HIS  10           2HD      HIS  10  -7.077   2.119  -4.116
   65    HE1  HIS  10           1HE      HIS  10  -6.606  -1.807  -5.464
   66    H    ILE  11           H        ILE  11  -3.439   2.536  -0.597
   67    HA   ILE  11           HA       ILE  11  -1.176   4.153  -1.154
   68    HB   ILE  11           HB       ILE  11  -3.301   4.018   0.993
   69   HG12  ILE  11          2HG1      ILE  11  -3.525   6.465   0.346
   70   HG13  ILE  11          1HG1      ILE  11  -2.282   6.219  -0.924
   71   HG21  ILE  11          1HG2      ILE  11  -0.733   5.722   1.190
   72   HG22  ILE  11          2HG2      ILE  11  -1.286   4.451   2.353
   73   HG23  ILE  11          3HG2      ILE  11  -2.224   5.965   2.170
   74   HD11  ILE  11          3HD1      ILE  11  -4.625   6.218  -1.824
   75   HD12  ILE  11          1HD1      ILE  11  -5.031   4.809  -0.782
   76   HD13  ILE  11          2HD1      ILE  11  -3.828   4.636  -2.121
   77    H    GLN  12           H        GLN  12  -1.807   1.228   0.668
   78    HA   GLN  12           HA       GLN  12   0.355   1.173   2.396
   79    HB2  GLN  12           2HB      GLN  12  -1.629  -0.366   2.411
   80    HB3  GLN  12           1HB      GLN  12  -1.057  -1.097   0.878
   81    HG2  GLN  12           2HG      GLN  12   1.021  -1.940   2.086
   82    HG3  GLN  12           1HG      GLN  12   0.414  -1.172   3.600
   83   HE21  GLN  12          1HE2      GLN  12  -0.806  -3.373   0.945
   84   HE22  GLN  12          2HE2      GLN  12  -1.635  -4.471   1.997
   85    H    VAL  13           H        VAL  13   0.053   0.330  -1.073
   86    HA   VAL  13           HA       VAL  13   2.563  -0.943  -1.240
   87    HB   VAL  13           HB       VAL  13   0.748   0.078  -3.481
   88   HG11  VAL  13          1HG1      VAL  13   3.016  -0.492  -4.333
   89   HG12  VAL  13          2HG1      VAL  13   1.869  -1.793  -4.790
   90   HG13  VAL  13          3HG1      VAL  13   3.005  -2.046  -3.414
   91   HG21  VAL  13          3HG2      VAL  13   0.802  -2.619  -1.966
   92   HG22  VAL  13          1HG2      VAL  13  -0.132  -2.294  -3.474
   93   HG23  VAL  13          2HG2      VAL  13  -0.535  -1.407  -1.970
   94    H    LYS  14           H        LYS  14   1.441   2.315  -1.552
   95    HA   LYS  14           HA       LYS  14   3.582   3.314  -3.143
   96    HB2  LYS  14           2HB      LYS  14   1.726   4.829  -1.213
   97    HB3  LYS  14           1HB      LYS  14   2.812   5.586  -2.433
   98    HG2  LYS  14           2HG      LYS  14   1.527   4.494  -4.273
   99    HG3  LYS  14           1HG      LYS  14   0.474   3.690  -3.059
  100    HD2  LYS  14           2HD      LYS  14  -0.207   5.968  -2.193
  101    HD3  LYS  14           1HD      LYS  14   0.708   6.716  -3.550
  102    HE2  LYS  14           2HE      LYS  14  -0.771   5.511  -5.205
  103    HE3  LYS  14           1HE      LYS  14  -1.662   4.728  -3.834
  104    HZ1  LYS  14           3HZ      LYS  14  -2.318   6.908  -3.082
  105    HZ2  LYS  14           1HZ      LYS  14  -2.810   6.640  -4.685
  106    HZ3  LYS  14           2HZ      LYS  14  -1.482   7.648  -4.363
  107    H    VAL  15           H        VAL  15   2.944   3.022   0.358
  108    HA   VAL  15           HA       VAL  15   5.277   4.447   1.163
  109    HB   VAL  15           HB       VAL  15   3.263   2.681   2.633
  110   HG11  VAL  15          1HG1      VAL  15   5.384   2.654   3.937
  111   HG12  VAL  15          2HG1      VAL  15   4.210   3.752   4.732
  112   HG13  VAL  15          3HG1      VAL  15   5.554   4.444   3.751
  113   HG21  VAL  15          3HG2      VAL  15   3.639   5.746   2.441
  114   HG22  VAL  15          1HG2      VAL  15   2.418   4.898   3.458
  115   HG23  VAL  15          2HG2      VAL  15   2.318   4.797   1.669
  116    H    PHE  16           H        PHE  16   4.404   1.113   0.362
  117    HA   PHE  16           HA       PHE  16   6.547  -0.162   1.635
  118    HB2  PHE  16           2HB      PHE  16   4.367  -1.254   0.850
  119    HB3  PHE  16           1HB      PHE  16   4.954  -1.103  -0.843
  120    HD1  PHE  16           2HD      PHE  16   5.960  -2.432   2.540
  121    HD2  PHE  16           1HD      PHE  16   6.210  -2.907  -1.722
  122    HE1  PHE  16           2HE      PHE  16   7.100  -4.586   2.857
  123    HE2  PHE  16           1HE      PHE  16   7.368  -5.075  -1.407
  124    HZ   PHE  16           HZ       PHE  16   7.811  -5.924   0.881
  125    H    ASN  17           H        ASN  17   6.073   1.263  -1.618
  126    HA   ASN  17           HA       ASN  17   8.579   0.270  -2.621
  127    HB2  ASN  17           2HB      ASN  17   6.520   2.266  -3.761
  128    HB3  ASN  17           1HB      ASN  17   7.977   1.679  -4.656
  129   HD21  ASN  17          1HD2      ASN  17   5.439   1.330  -5.738
  130   HD22  ASN  17          2HD2      ASN  17   5.025  -0.353  -5.748
  131    H    HIS  18           H        HIS  18   7.451   3.070  -0.848
  132    HA   HIS  18           HA       HIS  18   9.449   4.882  -1.757
  133    HB2  HIS  18           2HB      HIS  18   7.268   5.642  -0.784
  134    HB3  HIS  18           1HB      HIS  18   7.743   4.929   0.792
  135    HD1  HIS  18           1HD      HIS  18   8.721   7.788  -1.591
  136    HD2  HIS  18           2HD      HIS  18   9.576   6.432   2.278
  137    HE1  HIS  18           1HE      HIS  18  10.090   9.594  -0.409
  138    H    GLY  19           H        GLY  19   9.000   2.802   1.170
  139    HA2  GLY  19           2HA      GLY  19  11.503   3.625   2.281
  140    HA3  GLY  19           1HA      GLY  19  10.326   2.396   2.874
  141    H    GLU  20           H        GLU  20  10.253   0.897   0.389
  142    HA   GLU  20           HA       GLU  20  11.121  -0.776  -0.617
  143    HB2  GLU  20           2HB      GLU  20  13.899   0.432  -0.216
  144    HB3  GLU  20           1HB      GLU  20  13.461  -0.901  -1.349
  145    HG2  GLU  20           2HG      GLU  20  11.923   0.643  -2.586
  146    HG3  GLU  20           1HG      GLU  20  12.386   1.994  -1.482
  147    H    HIS  21           H        HIS  21  10.546  -1.020   2.149
  148    HA   HIS  21           HA       HIS  21  12.587  -2.668   3.275
  149    HB2  HIS  21           2HB      HIS  21  10.803  -2.803   5.210
  150    HB3  HIS  21           1HB      HIS  21  11.731  -1.305   4.912
  151    HD1  HIS  21           1HD      HIS  21   8.249  -2.594   3.772
  152    HD2  HIS  21           2HD      HIS  21  10.363   0.909   4.648
  153    HE1  HIS  21           1HE      HIS  21   6.621  -0.632   3.587
  154    H    ILE  22           H        ILE  22  11.681  -4.742   4.410
  155    HA   ILE  22           HA       ILE  22  10.501  -6.357   2.323
  156    HB   ILE  22           HB       ILE  22  11.785  -7.163   4.972
  157   HG12  ILE  22          2HG1      ILE  22  12.951  -7.107   2.117
  158   HG13  ILE  22          1HG1      ILE  22  13.397  -5.998   3.459
  159   HG21  ILE  22          1HG2      ILE  22  10.143  -8.857   4.082
  160   HG22  ILE  22          2HG2      ILE  22  11.818  -9.460   3.927
  161   HG23  ILE  22          3HG2      ILE  22  10.964  -8.812   2.477
  162   HD11  ILE  22          3HD1      ILE  22  15.119  -7.712   3.257
  163   HD12  ILE  22          1HD1      ILE  22  13.910  -9.038   3.381
  164   HD13  ILE  22          2HD1      ILE  22  14.227  -7.970   4.802
  165    H    HIS  23           H        HIS  23  10.208  -5.708   5.744
  166    HA   HIS  23           HA       HIS  23   7.500  -6.674   5.843
  167    HB2  HIS  23           2HB      HIS  23   9.000  -7.353   7.684
  168    HB3  HIS  23           1HB      HIS  23   9.359  -5.634   8.057
  169    HD1  HIS  23           1HD      HIS  23   7.466  -4.329   9.388
  170    HD2  HIS  23           2HD      HIS  23   6.441  -8.306   8.531
  171    HE1  HIS  23           1HE      HIS  23   5.381  -4.920  10.739
  172    H    HIS  24           H        HIS  24   5.739  -5.277   5.782
  173    HA   HIS  24           HA       HIS  24   6.285  -2.506   5.315
  174    HB2  HIS  24           2HB      HIS  24   4.510  -3.716   4.023
  175    HB3  HIS  24           1HB      HIS  24   3.581  -3.932   5.538
  176    HD1  HIS  24           1HD      HIS  24   4.937  -1.081   3.317
  177    HD2  HIS  24           2HD      HIS  24   1.986  -1.725   6.227
  178    HE1  HIS  24           1HE      HIS  24   3.540   1.042   3.510
  179    HN1  NH2  25           1H       NH2  25   4.099  -4.241   7.660
  180    HN2  NH2  25           2H       NH2  25   4.272  -3.085   8.939
  Start of MODEL    6
    1    H1   ACE   1           1HY      ACE   1 -12.663   6.507  -5.237
    2    H2   ACE   1           2HY      ACE   1 -12.520   4.763  -4.789
    3    H3   ACE   1           3HY      ACE   1 -11.703   5.386  -6.276
    4    H    PHE   2           H        PHE   2 -12.755   4.135  -7.845
    5    HA   PHE   2           HA       PHE   2 -15.496   4.886  -8.422
    6    HB2  PHE   2           2HB      PHE   2 -13.455   3.232 -10.044
    7    HB3  PHE   2           1HB      PHE   2 -15.105   3.710 -10.615
    8    HD1  PHE   2           1HD      PHE   2 -15.656   6.281 -10.474
    9    HD2  PHE   2           2HD      PHE   2 -11.668   4.675 -10.526
   10    HE1  PHE   2           1HE      PHE   2 -14.786   8.460 -11.254
   11    HE2  PHE   2           2HE      PHE   2 -10.802   6.855 -11.306
   12    HZ   PHE   2           HZ       PHE   2 -12.358   8.752 -11.669
   13    H    GLU   3           H        GLU   3 -16.939   3.781  -7.339
   14    HA   GLU   3           HA       GLU   3 -18.347   2.228  -6.783
   15    HB2  GLU   3           2HB      GLU   3 -16.693   0.183  -8.340
   16    HB3  GLU   3           1HB      GLU   3 -18.287  -0.112  -7.554
   17    HG2  GLU   3           2HG      GLU   3 -19.334   1.633  -9.021
   18    HG3  GLU   3           1HG      GLU   3 -17.742   1.923  -9.819
   19    H    ASP   4           H        ASP   4 -15.574   0.095  -6.772
   20    HA   ASP   4           HA       ASP   4 -15.266   0.282  -3.873
   21    HB2  ASP   4           2HB      ASP   4 -15.792  -2.373  -5.385
   22    HB3  ASP   4           1HB      ASP   4 -15.200  -2.265  -3.682
   23    H    LEU   5           H        LEU   5 -13.490   1.540  -4.975
   24    HA   LEU   5           HA       LEU   5 -11.456  -0.144  -6.204
   25    HB2  LEU   5           2HB      LEU   5 -12.237   2.069  -7.173
   26    HB3  LEU   5           1HB      LEU   5 -11.429   2.895  -5.804
   27    HG   LEU   5           HG       LEU   5 -10.005   0.987  -7.765
   28   HD11  LEU   5          1HD1      LEU   5  -9.288   2.996  -9.051
   29   HD12  LEU   5          2HD1      LEU   5 -10.303   4.049  -7.991
   30   HD13  LEU   5          3HD1      LEU   5 -11.082   2.815  -9.052
   31   HD21  LEU   5          3HD2      LEU   5  -8.637   1.396  -5.749
   32   HD22  LEU   5          1HD2      LEU   5  -8.898   3.177  -5.886
   33   HD23  LEU   5          2HD2      LEU   5  -7.937   2.299  -7.132
   34    HA   PRO   6           HA       PRO   6  -9.804   0.200  -1.933
   35    HB2  PRO   6           2HB      PRO   6  -7.755  -1.643  -2.064
   36    HB3  PRO   6           1HB      PRO   6  -9.490  -2.131  -2.033
   37    HG2  PRO   6           2HG      PRO   6  -7.687  -1.852  -4.495
   38    HG3  PRO   6           1HG      PRO   6  -8.772  -3.233  -4.046
   39    HD2  PRO   6           2HD      PRO   6  -9.523  -1.176  -5.793
   40    HD3  PRO   6           1HD      PRO   6 -10.726  -2.019  -4.707
   41    H    ASN   7           H        ASN   7  -9.228   2.472  -2.501
   42    HA   ASN   7           HA       ASN   7  -6.666   2.947  -3.680
   43    HB2  ASN   7           2HB      ASN   7  -8.729   4.474  -3.950
   44    HB3  ASN   7           1HB      ASN   7  -8.546   4.919  -2.222
   45   HD21  ASN   7          1HD2      ASN   7  -6.561   4.669  -5.284
   46   HD22  ASN   7          2HD2      ASN   7  -5.667   6.135  -5.043
   47    H    PHE   8           H        PHE   8  -8.062   2.427  -0.590
   48    HA   PHE   8           HA       PHE   8  -5.939   3.447   1.035
   49    HB2  PHE   8           2HB      PHE   8  -7.198   2.025   2.842
   50    HB3  PHE   8           1HB      PHE   8  -8.096   3.402   2.106
   51    HD1  PHE   8           2HD      PHE   8  -7.832  -0.304   2.266
   52    HD2  PHE   8           1HD      PHE   8  -9.995   3.037   0.639
   53    HE1  PHE   8           2HE      PHE   8  -9.663  -1.818   1.583
   54    HE2  PHE   8           1HE      PHE   8 -11.827   1.520  -0.035
   55    HZ   PHE   8           HZ       PHE   8 -11.664  -0.910   0.431
   56    H    GLY   9           H        GLY   9  -6.732   0.521  -0.668
   57    HA2  GLY   9           2HA      GLY   9  -4.809  -1.154   0.659
   58    HA3  GLY   9           1HA      GLY   9  -5.739  -1.467  -0.855
   59    H    HIS  10           H        HIS  10  -4.861   1.101  -2.082
   60    HA   HIS  10           HA       HIS  10  -2.442   0.093  -3.253
   61    HB2  HIS  10           2HB      HIS  10  -4.088   2.631  -3.793
   62    HB3  HIS  10           1HB      HIS  10  -2.688   2.085  -4.787
   63    HD1  HIS  10           1HD      HIS  10  -5.414   2.404  -6.144
   64    HD2  HIS  10           2HD      HIS  10  -4.101  -1.237  -4.521
   65    HE1  HIS  10           1HE      HIS  10  -6.657   0.507  -7.323
   66    H    ILE  11           H        ILE  11  -3.417   2.641  -0.969
   67    HA   ILE  11           HA       ILE  11  -1.034   4.148  -1.278
   68    HB   ILE  11           HB       ILE  11  -3.383   4.948  -0.650
   69   HG12  ILE  11          2HG1      ILE  11  -1.014   5.995   1.007
   70   HG13  ILE  11          1HG1      ILE  11  -1.337   6.370  -0.723
   71   HG21  ILE  11          1HG2      ILE  11  -3.639   3.270   1.247
   72   HG22  ILE  11          2HG2      ILE  11  -4.039   4.959   1.689
   73   HG23  ILE  11          3HG2      ILE  11  -2.474   4.239   2.215
   74   HD11  ILE  11          3HD1      ILE  11  -2.223   8.206   0.680
   75   HD12  ILE  11          1HD1      ILE  11  -3.195   7.042   1.660
   76   HD13  ILE  11          2HD1      ILE  11  -3.602   7.309  -0.070
   77    H    GLN  12           H        GLN  12  -1.923   1.309   0.471
   78    HA   GLN  12           HA       GLN  12  -0.116   1.553   2.650
   79    HB2  GLN  12           2HB      GLN  12  -2.216   0.166   2.674
   80    HB3  GLN  12           1HB      GLN  12  -1.514  -0.896   1.411
   81    HG2  GLN  12           2HG      GLN  12   0.342  -1.546   3.019
   82    HG3  GLN  12           1HG      GLN  12  -0.395  -0.485   4.276
   83   HE21  GLN  12          1HE2      GLN  12  -2.892  -0.948   4.612
   84   HE22  GLN  12          2HE2      GLN  12  -3.348  -2.617   4.704
   85    H    VAL  13           H        VAL  13  -0.136   0.122  -0.628
   86    HA   VAL  13           HA       VAL  13   2.313  -1.239  -0.348
   87    HB   VAL  13           HB       VAL  13   0.715  -0.478  -2.836
   88   HG11  VAL  13          1HG1      VAL  13   3.048  -2.481  -2.442
   89   HG12  VAL  13          2HG1      VAL  13   3.065  -1.006  -3.483
   90   HG13  VAL  13          3HG1      VAL  13   2.004  -2.388  -3.909
   91   HG21  VAL  13          3HG2      VAL  13   0.824  -3.063  -1.136
   92   HG22  VAL  13          1HG2      VAL  13  -0.091  -2.857  -2.674
   93   HG23  VAL  13          2HG2      VAL  13  -0.561  -1.916  -1.218
   94    H    LYS  14           H        LYS  14   1.331   1.943  -1.316
   95    HA   LYS  14           HA       LYS  14   3.585   2.785  -2.611
   96    HB2  LYS  14           2HB      LYS  14   1.217   3.863  -2.399
   97    HB3  LYS  14           1HB      LYS  14   1.782   4.540  -0.846
   98    HG2  LYS  14           2HG      LYS  14   1.946   6.225  -2.500
   99    HG3  LYS  14           1HG      LYS  14   3.636   5.766  -2.148
  100    HD2  LYS  14           2HD      LYS  14   2.063   4.445  -4.426
  101    HD3  LYS  14           1HD      LYS  14   2.676   6.129  -4.644
  102    HE2  LYS  14           2HE      LYS  14   4.378   3.582  -4.283
  103    HE3  LYS  14           1HE      LYS  14   4.268   4.662  -5.716
  104    HZ1  LYS  14           3HZ      LYS  14   6.251   5.028  -4.436
  105    HZ2  LYS  14           1HZ      LYS  14   5.348   5.405  -3.047
  106    HZ3  LYS  14           2HZ      LYS  14   5.265   6.411  -4.416
  107    H    VAL  15           H        VAL  15   3.013   2.417   0.863
  108    HA   VAL  15           HA       VAL  15   5.047   4.154   1.760
  109    HB   VAL  15           HB       VAL  15   3.849   1.701   3.160
  110   HG11  VAL  15          1HG1      VAL  15   4.514   2.971   5.247
  111   HG12  VAL  15          2HG1      VAL  15   5.345   4.200   4.223
  112   HG13  VAL  15          3HG1      VAL  15   5.942   2.496   4.269
  113   HG21  VAL  15          3HG2      VAL  15   2.935   4.654   3.075
  114   HG22  VAL  15          1HG2      VAL  15   2.325   3.416   4.235
  115   HG23  VAL  15          2HG2      VAL  15   2.032   3.206   2.480
  116    H    PHE  16           H        PHE  16   4.849   0.673   0.925
  117    HA   PHE  16           HA       PHE  16   7.423   0.013   1.874
  118    HB2  PHE  16           2HB      PHE  16   5.763  -1.483  -0.249
  119    HB3  PHE  16           1HB      PHE  16   7.070  -2.175   0.789
  120    HD1  PHE  16           1HD      PHE  16   6.300  -1.078   3.515
  121    HD2  PHE  16           2HD      PHE  16   3.894  -2.696   0.332
  122    HE1  PHE  16           1HE      PHE  16   4.555  -1.692   5.138
  123    HE2  PHE  16           2HE      PHE  16   2.149  -3.309   1.969
  124    HZ   PHE  16           HZ       PHE  16   2.470  -2.801   4.375
  125    H    ASN  17           H        ASN  17   6.068   1.087  -1.231
  126    HA   ASN  17           HA       ASN  17   8.344   0.546  -2.818
  127    HB2  ASN  17           2HB      ASN  17   5.994   2.498  -3.215
  128    HB3  ASN  17           1HB      ASN  17   7.220   2.110  -4.485
  129   HD21  ASN  17          1HD2      ASN  17   4.550   1.714  -5.036
  130   HD22  ASN  17          2HD2      ASN  17   4.193   0.021  -5.132
  131    H    HIS  18           H        HIS  18   7.341   3.220  -0.721
  132    HA   HIS  18           HA       HIS  18   9.105   5.153  -1.804
  133    HB2  HIS  18           2HB      HIS  18   6.967   5.650  -0.512
  134    HB3  HIS  18           1HB      HIS  18   7.813   5.113   0.974
  135    HD1  HIS  18           1HD      HIS  18   7.942   7.850  -1.719
  136    HD2  HIS  18           2HD      HIS  18   9.576   7.034   2.053
  137    HE1  HIS  18           1HE      HIS  18   9.128   9.957  -0.903
  138    H    GLY  19           H        GLY  19   9.525   2.406   0.278
  139    HA2  GLY  19           2HA      GLY  19  11.755   3.371   1.758
  140    HA3  GLY  19           1HA      GLY  19  11.156   1.681   1.550
  141    H    GLU  20           H        GLU  20  11.236   1.794  -1.400
  142    HA   GLU  20           HA       GLU  20  14.053   1.287  -1.796
  143    HB2  GLU  20           2HB      GLU  20  11.633   1.045  -3.676
  144    HB3  GLU  20           1HB      GLU  20  13.333   0.797  -4.191
  145    HG2  GLU  20           2HG      GLU  20  12.544  -1.385  -3.824
  146    HG3  GLU  20           1HG      GLU  20  13.588  -1.005  -2.410
  147    H    HIS  21           H        HIS  21  11.605   3.794  -2.494
  148    HA   HIS  21           HA       HIS  21  13.202   5.176  -4.374
  149    HB2  HIS  21           2HB      HIS  21  10.861   6.218  -2.681
  150    HB3  HIS  21           1HB      HIS  21  11.546   7.022  -4.133
  151    HD1  HIS  21           1HD      HIS  21   8.599   6.449  -4.143
  152    HD2  HIS  21           2HD      HIS  21  11.389   3.690  -5.633
  153    HE1  HIS  21           1HE      HIS  21   7.403   4.925  -5.811
  154    H    ILE  22           H        ILE  22  13.831   7.524  -3.965
  155    HA   ILE  22           HA       ILE  22  15.069   7.885  -1.360
  156    HB   ILE  22           HB       ILE  22  15.164   9.617  -3.879
  157   HG12  ILE  22          2HG1      ILE  22  17.240   7.661  -2.708
  158   HG13  ILE  22          1HG1      ILE  22  16.252   7.382  -4.183
  159   HG21  ILE  22          1HG2      ILE  22  17.004  10.820  -2.645
  160   HG22  ILE  22          2HG2      ILE  22  16.736   9.763  -1.210
  161   HG23  ILE  22          3HG2      ILE  22  15.464  10.924  -1.742
  162   HD11  ILE  22          3HD1      ILE  22  18.488   8.102  -4.857
  163   HD12  ILE  22          1HD1      ILE  22  18.393   9.577  -3.832
  164   HD13  ILE  22          2HD1      ILE  22  17.310   9.404  -5.266
  165    H    HIS  23           H        HIS  23  13.026   9.500  -3.679
  166    HA   HIS  23           HA       HIS  23  11.033   9.990  -1.700
  167    HB2  HIS  23           2HB      HIS  23  12.318  12.190  -1.742
  168    HB3  HIS  23           1HB      HIS  23  12.028  12.284  -3.510
  169    HD1  HIS  23           1HD      HIS  23   9.940  11.943  -0.263
  170    HD2  HIS  23           2HD      HIS  23   9.632  13.725  -4.056
  171    HE1  HIS  23           1HE      HIS  23   7.745  13.246  -0.365
  172    H    HIS  24           H        HIS  24   8.910  10.194  -2.744
  173    HA   HIS  24           HA       HIS  24   8.870   8.709  -5.212
  174    HB2  HIS  24           2HB      HIS  24   7.272   8.150  -3.375
  175    HB3  HIS  24           1HB      HIS  24   6.597   9.811  -3.466
  176    HD1  HIS  24           1HD      HIS  24   4.238   9.130  -4.302
  177    HD2  HIS  24           2HD      HIS  24   7.275   7.481  -6.685
  178    HE1  HIS  24           1HE      HIS  24   3.148   8.018  -6.330
  179    HN1  NH2  25           1H       NH2  25   8.332  11.381  -7.472
  180    HN2  NH2  25           2H       NH2  25   8.920   9.778  -7.176
  Start of MODEL    7
    1    H1   ACE   1           1HY      ACE   1 -16.978   5.590  -1.422
    2    H2   ACE   1           2HY      ACE   1 -15.385   6.372  -1.108
    3    H3   ACE   1           3HY      ACE   1 -15.481   4.590  -1.413
    4    H    PHE   2           H        PHE   2 -15.194   4.919   2.299
    5    HA   PHE   2           HA       PHE   2 -13.606   5.927   0.136
    6    HB2  PHE   2           2HB      PHE   2 -13.086   6.621   2.455
    7    HB3  PHE   2           1HB      PHE   2 -12.939   4.904   2.961
    8    HD1  PHE   2           2HD      PHE   2 -11.422   6.220  -0.273
    9    HD2  PHE   2           1HD      PHE   2 -10.767   5.170   3.855
   10    HE1  PHE   2           2HE      PHE   2  -8.996   6.230  -0.648
   11    HE2  PHE   2           1HE      PHE   2  -8.330   5.216   3.472
   12    HZ   PHE   2           HZ       PHE   2  -7.435   5.721   1.213
   13    H    GLU   3           H        GLU   3 -13.531   2.923   2.194
   14    HA   GLU   3           HA       GLU   3 -12.058   1.603   0.074
   15    HB2  GLU   3           2HB      GLU   3 -12.549   0.776   2.973
   16    HB3  GLU   3           1HB      GLU   3 -11.626  -0.173   1.747
   17    HG2  GLU   3           2HG      GLU   3 -10.035   1.794   1.477
   18    HG3  GLU   3           1HG      GLU   3 -10.914   2.638   2.806
   19    H    ASP   4           H        ASP   4 -13.679   1.273  -1.376
   20    HA   ASP   4           HA       ASP   4 -15.712  -0.723  -0.758
   21    HB2  ASP   4           2HB      ASP   4 -16.274   1.124  -2.426
   22    HB3  ASP   4           1HB      ASP   4 -14.946   0.532  -3.481
   23    H    LEU   5           H        LEU   5 -12.958  -0.133  -2.796
   24    HA   LEU   5           HA       LEU   5 -12.077  -2.924  -2.835
   25    HB2  LEU   5           2HB      LEU   5 -10.841  -0.345  -4.011
   26    HB3  LEU   5           1HB      LEU   5 -10.199  -1.997  -4.295
   27    HG   LEU   5           HG       LEU   5 -12.949  -0.951  -5.201
   28   HD11  LEU   5          1HD1      LEU   5 -11.980  -0.959  -7.490
   29   HD12  LEU   5          2HD1      LEU   5 -10.378  -1.458  -6.828
   30   HD13  LEU   5          3HD1      LEU   5 -11.071   0.152  -6.398
   31   HD21  LEU   5          3HD2      LEU   5 -13.052  -3.031  -6.596
   32   HD22  LEU   5          1HD2      LEU   5 -13.039  -3.408  -4.837
   33   HD23  LEU   5          2HD2      LEU   5 -11.539  -3.630  -5.817
   34    HA   PRO   6           HA       PRO   6  -9.195  -1.617   0.462
   35    HB2  PRO   6           2HB      PRO   6  -6.780  -2.886  -0.117
   36    HB3  PRO   6           1HB      PRO   6  -8.236  -3.752   0.497
   37    HG2  PRO   6           2HG      PRO   6  -7.339  -3.477  -2.420
   38    HG3  PRO   6           1HG      PRO   6  -7.811  -4.985  -1.528
   39    HD2  PRO   6           2HD      PRO   6  -9.603  -3.628  -3.122
   40    HD3  PRO   6           1HD      PRO   6 -10.147  -4.355  -1.543
   41    H    ASN   7           H        ASN   7  -9.370   0.637  -0.301
   42    HA   ASN   7           HA       ASN   7  -7.574   1.512  -2.363
   43    HB2  ASN   7           2HB      ASN   7  -9.700   2.978  -0.677
   44    HB3  ASN   7           1HB      ASN   7  -8.728   3.773  -1.973
   45   HD21  ASN   7          1HD2      ASN   7  -8.766   2.619  -4.183
   46   HD22  ASN   7          2HD2      ASN   7 -10.282   1.969  -4.713
   47    H    PHE   8           H        PHE   8  -7.779   1.490   1.081
   48    HA   PHE   8           HA       PHE   8  -5.620   3.382   1.433
   49    HB2  PHE   8           2HB      PHE   8  -7.532   3.045   3.147
   50    HB3  PHE   8           1HB      PHE   8  -6.810   1.443   3.527
   51    HD1  PHE   8           2HD      PHE   8  -5.835   5.092   3.150
   52    HD2  PHE   8           1HD      PHE   8  -5.218   1.400   5.266
   53    HE1  PHE   8           2HE      PHE   8  -4.273   6.233   4.687
   54    HE2  PHE   8           1HE      PHE   8  -3.652   2.545   6.801
   55    HZ   PHE   8           HZ       PHE   8  -3.177   4.963   6.516
   56    H    GLY   9           H        GLY   9  -6.175  -0.018   0.824
   57    HA2  GLY   9           2HA      GLY   9  -3.590  -0.910   1.716
   58    HA3  GLY   9           1HA      GLY   9  -4.891  -1.813   0.852
   59    H    HIS  10           H        HIS  10  -4.895   0.661  -1.099
   60    HA   HIS  10           HA       HIS  10  -2.815  -0.333  -2.875
   61    HB2  HIS  10           2HB      HIS  10  -4.942   1.857  -3.297
   62    HB3  HIS  10           1HB      HIS  10  -3.774   1.272  -4.536
   63    HD1  HIS  10           1HD      HIS  10  -4.174  -1.856  -4.016
   64    HD2  HIS  10           2HD      HIS  10  -7.243   0.951  -4.557
   65    HE1  HIS  10           1HE      HIS  10  -6.241  -3.091  -4.873
   66    H    ILE  11           H        ILE  11  -3.602   2.310  -0.683
   67    HA   ILE  11           HA       ILE  11  -1.549   4.069  -1.598
   68    HB   ILE  11           HB       ILE  11  -3.836   4.107   0.198
   69   HG12  ILE  11          2HG1      ILE  11  -3.635   6.585  -0.173
   70   HG13  ILE  11          1HG1      ILE  11  -2.078   6.316  -1.030
   71   HG21  ILE  11          1HG2      ILE  11  -1.314   5.413   1.397
   72   HG22  ILE  11          2HG2      ILE  11  -2.240   4.021   2.092
   73   HG23  ILE  11          3HG2      ILE  11  -3.010   5.634   1.950
   74   HD11  ILE  11          3HD1      ILE  11  -4.835   5.192  -1.887
   75   HD12  ILE  11          1HD1      ILE  11  -3.289   4.965  -2.787
   76   HD13  ILE  11          2HD1      ILE  11  -3.999   6.611  -2.616
   77    H    GLN  12           H        GLN  12  -1.801   1.302   0.503
   78    HA   GLN  12           HA       GLN  12   0.460   1.806   2.107
   79    HB2  GLN  12           2HB      GLN  12  -1.490   0.311   2.664
   80    HB3  GLN  12           1HB      GLN  12  -0.942  -0.836   1.397
   81    HG2  GLN  12           2HG      GLN  12   1.197  -1.217   2.687
   82    HG3  GLN  12           1HG      GLN  12   0.655  -0.013   3.923
   83   HE21  GLN  12          1HE2      GLN  12   1.175  -2.314   5.059
   84   HE22  GLN  12          2HE2      GLN  12  -0.229  -3.276   5.386
   85    H    VAL  13           H        VAL  13  -0.000   0.647  -1.178
   86    HA   VAL  13           HA       VAL  13   2.394  -0.839  -1.368
   87    HB   VAL  13           HB       VAL  13   0.649   0.393  -3.557
   88   HG11  VAL  13          1HG1      VAL  13   2.889  -0.184  -4.475
   89   HG12  VAL  13          2HG1      VAL  13   1.696  -1.412  -5.005
   90   HG13  VAL  13          3HG1      VAL  13   2.838  -1.797  -3.665
   91   HG21  VAL  13          3HG2      VAL  13  -0.311  -1.938  -3.695
   92   HG22  VAL  13          1HG2      VAL  13  -0.655  -1.144  -2.125
   93   HG23  VAL  13          2HG2      VAL  13   0.636  -2.401  -2.232
   94    H    LYS  14           H        LYS  14   1.500   2.492  -1.716
   95    HA   LYS  14           HA       LYS  14   3.847   3.344  -3.120
   96    HB2  LYS  14           2HB      LYS  14   1.640   4.841  -1.623
   97    HB3  LYS  14           1HB      LYS  14   3.117   5.690  -2.171
   98    HG2  LYS  14           2HG      LYS  14   1.399   6.104  -3.725
   99    HG3  LYS  14           1HG      LYS  14   2.679   5.142  -4.528
  100    HD2  LYS  14           2HD      LYS  14   0.251   3.682  -3.392
  101    HD3  LYS  14           1HD      LYS  14   0.021   4.725  -4.835
  102    HE2  LYS  14           2HE      LYS  14   1.764   3.483  -6.107
  103    HE3  LYS  14           1HE      LYS  14   2.029   2.377  -4.701
  104    HZ1  LYS  14           3HZ      LYS  14  -0.270   1.709  -4.864
  105    HZ2  LYS  14           1HZ      LYS  14   0.554   1.438  -6.323
  106    HZ3  LYS  14           2HZ      LYS  14  -0.519   2.747  -6.185
  107    H    VAL  15           H        VAL  15   2.920   2.911   0.290
  108    HA   VAL  15           HA       VAL  15   5.144   4.326   1.364
  109    HB   VAL  15           HB       VAL  15   3.236   2.280   2.612
  110   HG11  VAL  15          1HG1      VAL  15   5.316   2.438   3.975
  111   HG12  VAL  15          2HG1      VAL  15   3.991   3.330   4.795
  112   HG13  VAL  15          3HG1      VAL  15   5.260   4.243   3.897
  113   HG21  VAL  15          3HG2      VAL  15   2.056   4.307   1.742
  114   HG22  VAL  15          1HG2      VAL  15   3.242   5.375   2.581
  115   HG23  VAL  15          2HG2      VAL  15   2.117   4.338   3.535
  116    H    PHE  16           H        PHE  16   4.394   0.988   0.375
  117    HA   PHE  16           HA       PHE  16   6.595  -0.246   1.597
  118    HB2  PHE  16           2HB      PHE  16   4.458  -1.418   0.861
  119    HB3  PHE  16           1HB      PHE  16   4.947  -1.171  -0.850
  120    HD1  PHE  16           1HD      PHE  16   5.898  -2.832   2.383
  121    HD2  PHE  16           2HD      PHE  16   6.559  -2.637  -1.860
  122    HE1  PHE  16           1HE      PHE  16   7.228  -4.917   2.490
  123    HE2  PHE  16           2HE      PHE  16   7.895  -4.718  -1.746
  124    HZ   PHE  16           HZ       PHE  16   8.235  -5.858   0.431
  125    H    ASN  17           H        ASN  17   6.079   1.389  -1.534
  126    HA   ASN  17           HA       ASN  17   8.524   0.445  -2.698
  127    HB2  ASN  17           2HB      ASN  17   6.550   2.672  -3.524
  128    HB3  ASN  17           1HB      ASN  17   7.964   2.146  -4.518
  129   HD21  ASN  17          1HD2      ASN  17   5.331   2.070  -5.515
  130   HD22  ASN  17          2HD2      ASN  17   4.858   0.421  -5.765
  131    H    HIS  18           H        HIS  18   7.471   3.172  -0.713
  132    HA   HIS  18           HA       HIS  18   9.478   4.990  -1.466
  133    HB2  HIS  18           2HB      HIS  18   7.306   5.635  -0.367
  134    HB3  HIS  18           1HB      HIS  18   7.874   4.858   1.146
  135    HD1  HIS  18           1HD      HIS  18   8.667   7.841  -1.147
  136    HD2  HIS  18           2HD      HIS  18   9.728   6.360   2.626
  137    HE1  HIS  18           1HE      HIS  18  10.023   9.644   0.055
  138    H    GLY  19           H        GLY  19   9.148   2.650   1.269
  139    HA2  GLY  19           2HA      GLY  19  11.749   3.285   2.303
  140    HA3  GLY  19           1HA      GLY  19  10.598   1.983   2.798
  141    H    GLU  20           H        GLU  20  10.186   0.764   0.324
  142    HA   GLU  20           HA       GLU  20  10.850  -0.731  -1.028
  143    HB2  GLU  20           2HB      GLU  20  12.301   1.060  -2.006
  144    HB3  GLU  20           1HB      GLU  20  13.679   0.414  -1.056
  145    HG2  GLU  20           2HG      GLU  20  13.417  -1.813  -2.248
  146    HG3  GLU  20           1HG      GLU  20  12.026  -1.140  -3.176
  147    H    HIS  21           H        HIS  21  10.320  -1.981   0.920
  148    HA   HIS  21           HA       HIS  21  12.481  -2.891   2.514
  149    HB2  HIS  21           2HB      HIS  21   9.562  -3.781   2.555
  150    HB3  HIS  21           1HB      HIS  21  10.784  -4.065   3.846
  151    HD1  HIS  21           1HD      HIS  21  11.603  -1.731   5.103
  152    HD2  HIS  21           2HD      HIS  21   8.333  -1.352   2.519
  153    HE1  HIS  21           1HE      HIS  21  10.479   0.515   5.582
  154    H    ILE  22           H        ILE  22  13.180  -5.054   2.752
  155    HA   ILE  22           HA       ILE  22  12.461  -6.919   0.611
  156    HB   ILE  22           HB       ILE  22  14.837  -6.959   2.540
  157   HG12  ILE  22          2HG1      ILE  22  15.138  -5.105   0.973
  158   HG13  ILE  22          1HG1      ILE  22  16.270  -6.451   0.623
  159   HG21  ILE  22          1HG2      ILE  22  14.068  -8.782   0.158
  160   HG22  ILE  22          2HG2      ILE  22  14.121  -9.243   1.899
  161   HG23  ILE  22          3HG2      ILE  22  15.641  -8.826   1.039
  162   HD11  ILE  22          3HD1      ILE  22  15.404  -5.473  -1.479
  163   HD12  ILE  22          1HD1      ILE  22  13.705  -5.791  -0.981
  164   HD13  ILE  22          2HD1      ILE  22  14.824  -7.168  -1.316
  165    H    HIS  23           H        HIS  23  13.269  -6.591   3.986
  166    HA   HIS  23           HA       HIS  23  10.896  -7.983   4.779
  167    HB2  HIS  23           2HB      HIS  23  12.711  -9.761   4.875
  168    HB3  HIS  23           1HB      HIS  23  13.684  -8.671   5.916
  169    HD1  HIS  23           1HD      HIS  23  10.126 -10.218   5.958
  170    HD2  HIS  23           2HD      HIS  23  13.228  -9.323   8.649
  171    HE1  HIS  23           1HE      HIS  23   9.435 -11.023   8.281
  172    H    HIS  24           H        HIS  24  10.201  -7.248   6.902
  173    HA   HIS  24           HA       HIS  24  11.172  -4.573   7.449
  174    HB2  HIS  24           2HB      HIS  24   8.822  -6.159   8.620
  175    HB3  HIS  24           1HB      HIS  24   9.225  -4.451   9.024
  176    HD1  HIS  24           1HD      HIS  24   9.283  -2.829   6.693
  177    HD2  HIS  24           2HD      HIS  24   7.049  -6.378   6.530
  178    HE1  HIS  24           1HE      HIS  24   7.634  -2.641   4.751
  179    HN1  NH2  25           1H       NH2  25  10.373  -7.510   9.462
  180    HN2  NH2  25           2H       NH2  25  11.643  -7.268  10.615
  Start of MODEL    8
    1    H1   ACE   1           1HY      ACE   1  -6.406   3.590   8.433
    2    H2   ACE   1           2HY      ACE   1  -7.605   4.499   7.437
    3    H3   ACE   1           3HY      ACE   1  -8.030   3.987   9.117
    4    H    PHE   2           H        PHE   2  -9.845   3.261   7.263
    5    HA   PHE   2           HA       PHE   2  -9.526   0.380   7.061
    6    HB2  PHE   2           2HB      PHE   2 -11.624   1.320   8.113
    7    HB3  PHE   2           1HB      PHE   2 -11.983   2.192   6.580
    8    HD1  PHE   2           1HD      PHE   2 -11.063  -1.335   7.692
    9    HD2  PHE   2           2HD      PHE   2 -13.553   1.144   5.214
   10    HE1  PHE   2           1HE      PHE   2 -12.205  -3.346   6.822
   11    HE2  PHE   2           2HE      PHE   2 -14.693  -0.869   4.346
   12    HZ   PHE   2           HZ       PHE   2 -14.019  -3.120   5.144
   13    H    GLU   3           H        GLU   3  -9.688  -0.719   5.080
   14    HA   GLU   3           HA       GLU   3  -9.100   0.853   2.695
   15    HB2  GLU   3           2HB      GLU   3  -8.962  -2.176   3.247
   16    HB3  GLU   3           1HB      GLU   3  -8.697  -1.411   1.642
   17    HG2  GLU   3           2HG      GLU   3  -6.539  -1.906   2.551
   18    HG3  GLU   3           1HG      GLU   3  -6.752  -0.121   2.561
   19    H    ASP   4           H        ASP   4 -11.145   1.720   2.381
   20    HA   ASP   4           HA       ASP   4 -13.420  -0.050   2.127
   21    HB2  ASP   4           2HB      ASP   4 -13.652   2.269   3.201
   22    HB3  ASP   4           1HB      ASP   4 -13.312   2.986   1.592
   23    H    LEU   5           H        LEU   5 -11.647   2.288   0.244
   24    HA   LEU   5           HA       LEU   5 -12.434   1.084  -2.293
   25    HB2  LEU   5           2HB      LEU   5 -10.698   3.549  -1.651
   26    HB3  LEU   5           1HB      LEU   5 -10.901   2.875  -3.305
   27    HG   LEU   5           HG       LEU   5 -13.388   3.221  -3.120
   28   HD11  LEU   5          1HD1      LEU   5 -13.747   3.523  -0.696
   29   HD12  LEU   5          2HD1      LEU   5 -14.196   5.032  -1.557
   30   HD13  LEU   5          3HD1      LEU   5 -12.630   4.941  -0.667
   31   HD21  LEU   5          3HD2      LEU   5 -11.872   4.669  -4.449
   32   HD22  LEU   5          1HD2      LEU   5 -11.567   5.706  -3.004
   33   HD23  LEU   5          2HD2      LEU   5 -13.218   5.629  -3.729
   34    HA   PRO   6           HA       PRO   6  -8.568  -1.136  -2.081
   35    HB2  PRO   6           2HB      PRO   6  -8.218  -2.020  -4.703
   36    HB3  PRO   6           1HB      PRO   6  -9.637  -2.552  -3.722
   37    HG2  PRO   6           2HG      PRO   6  -9.532  -0.216  -5.714
   38    HG3  PRO   6           1HG      PRO   6 -10.718  -1.588  -5.670
   39    HD2  PRO   6           2HD      PRO   6 -11.235   0.870  -4.479
   40    HD3  PRO   6           1HD      PRO   6 -11.806  -0.688  -3.718
   41    H    ASN   7           H        ASN   7  -8.790   1.829  -3.152
   42    HA   ASN   7           HA       ASN   7  -6.198   2.162  -4.417
   43    HB2  ASN   7           2HB      ASN   7  -8.376   4.231  -3.681
   44    HB3  ASN   7           1HB      ASN   7  -6.883   4.585  -4.633
   45   HD21  ASN   7          1HD2      ASN   7  -6.587   3.023  -6.632
   46   HD22  ASN   7          2HD2      ASN   7  -8.004   2.730  -7.586
   47    H    PHE   8           H        PHE   8  -7.876   2.400  -1.422
   48    HA   PHE   8           HA       PHE   8  -5.727   3.765  -0.040
   49    HB2  PHE   8           2HB      PHE   8  -8.263   4.027   0.547
   50    HB3  PHE   8           1HB      PHE   8  -8.183   2.359   1.217
   51    HD1  PHE   8           2HD      PHE   8  -6.830   5.843   1.472
   52    HD2  PHE   8           1HD      PHE   8  -7.089   1.996   3.364
   53    HE1  PHE   8           2HE      PHE   8  -5.884   6.798   3.549
   54    HE2  PHE   8           1HE      PHE   8  -6.125   2.943   5.430
   55    HZ   PHE   8           HZ       PHE   8  -5.527   5.350   5.533
   56    H    GLY   9           H        GLY   9  -6.623   0.609  -1.153
   57    HA2  GLY   9           2HA      GLY   9  -5.085  -0.874   0.772
   58    HA3  GLY   9           1HA      GLY   9  -5.805  -1.414  -0.795
   59    H    HIS  10           H        HIS  10  -4.649   0.784  -2.345
   60    HA   HIS  10           HA       HIS  10  -2.064  -0.377  -2.828
   61    HB2  HIS  10           2HB      HIS  10  -3.508   1.944  -4.238
   62    HB3  HIS  10           1HB      HIS  10  -1.991   1.151  -4.797
   63    HD1  HIS  10           1HD      HIS  10  -2.857  -1.858  -4.491
   64    HD2  HIS  10           2HD      HIS  10  -5.192   1.138  -6.272
   65    HE1  HIS  10           1HE      HIS  10  -4.477  -2.975  -6.122
   66    H    ILE  11           H        ILE  11  -3.293   2.263  -0.911
   67    HA   ILE  11           HA       ILE  11  -1.048   3.956  -1.363
   68    HB   ILE  11           HB       ILE  11  -3.545   4.518  -0.619
   69   HG12  ILE  11          2HG1      ILE  11  -2.659   6.717   0.322
   70   HG13  ILE  11          1HG1      ILE  11  -0.997   6.062   0.131
   71   HG21  ILE  11          1HG2      ILE  11  -3.793   5.042   1.736
   72   HG22  ILE  11          2HG2      ILE  11  -2.101   4.572   2.109
   73   HG23  ILE  11          3HG2      ILE  11  -3.296   3.316   1.624
   74   HD11  ILE  11          3HD1      ILE  11  -1.732   7.507  -1.814
   75   HD12  ILE  11          1HD1      ILE  11  -3.093   6.366  -2.133
   76   HD13  ILE  11          2HD1      ILE  11  -1.386   5.824  -2.349
   77    H    GLN  12           H        GLN  12  -1.773   1.248   0.669
   78    HA   GLN  12           HA       GLN  12   0.156   1.769   2.704
   79    HB2  GLN  12           2HB      GLN  12  -1.236  -0.828   1.819
   80    HB3  GLN  12           1HB      GLN  12  -0.289  -0.619   3.338
   81    HG2  GLN  12           2HG      GLN  12  -1.935   1.086   4.148
   82    HG3  GLN  12           1HG      GLN  12  -2.891   0.910   2.632
   83   HE21  GLN  12          1HE2      GLN  12  -3.413  -1.538   2.073
   84   HE22  GLN  12          2HE2      GLN  12  -4.012  -2.490   3.390
   85    H    VAL  13           H        VAL  13   0.004   0.180  -0.460
   86    HA   VAL  13           HA       VAL  13   2.501  -1.154  -0.245
   87    HB   VAL  13           HB       VAL  13   0.794  -0.501  -2.708
   88   HG11  VAL  13          1HG1      VAL  13   3.083  -2.542  -2.258
   89   HG12  VAL  13          2HG1      VAL  13   3.107  -1.133  -3.387
   90   HG13  VAL  13          3HG1      VAL  13   1.999  -2.508  -3.699
   91   HG21  VAL  13          3HG2      VAL  13   0.836  -2.971  -0.847
   92   HG22  VAL  13          1HG2      VAL  13  -0.057  -2.855  -2.409
   93   HG23  VAL  13          2HG2      VAL  13  -0.520  -1.795  -1.037
   94    H    LYS  14           H        LYS  14   1.392   2.018  -1.028
   95    HA   LYS  14           HA       LYS  14   3.582   2.779  -2.639
   96    HB2  LYS  14           2HB      LYS  14   1.145   3.795  -2.506
   97    HB3  LYS  14           1HB      LYS  14   1.787   4.750  -1.137
   98    HG2  LYS  14           2HG      LYS  14   1.955   6.116  -3.118
   99    HG3  LYS  14           1HG      LYS  14   3.631   5.579  -2.754
  100    HD2  LYS  14           2HD      LYS  14   3.317   3.713  -4.501
  101    HD3  LYS  14           1HD      LYS  14   1.691   4.386  -4.837
  102    HE2  LYS  14           2HE      LYS  14   3.257   5.176  -6.564
  103    HE3  LYS  14           1HE      LYS  14   2.804   6.591  -5.527
  104    HZ1  LYS  14           3HZ      LYS  14   4.870   6.276  -4.323
  105    HZ2  LYS  14           1HZ      LYS  14   5.147   6.515  -5.982
  106    HZ3  LYS  14           2HZ      LYS  14   5.285   4.960  -5.314
  107    H    VAL  15           H        VAL  15   3.021   2.639   0.836
  108    HA   VAL  15           HA       VAL  15   5.097   4.451   1.568
  109    HB   VAL  15           HB       VAL  15   3.781   2.190   3.168
  110   HG11  VAL  15          1HG1      VAL  15   5.512   4.614   4.030
  111   HG12  VAL  15          2HG1      VAL  15   5.959   2.871   4.185
  112   HG13  VAL  15          3HG1      VAL  15   4.602   3.537   5.153
  113   HG21  VAL  15          3HG2      VAL  15   2.094   3.835   2.403
  114   HG22  VAL  15          1HG2      VAL  15   3.138   5.208   2.934
  115   HG23  VAL  15          2HG2      VAL  15   2.422   4.083   4.149
  116    H    PHE  16           H        PHE  16   4.740   0.942   0.966
  117    HA   PHE  16           HA       PHE  16   7.369   0.259   1.755
  118    HB2  PHE  16           2HB      PHE  16   5.399  -1.345   1.769
  119    HB3  PHE  16           1HB      PHE  16   5.359  -1.273  -0.028
  120    HD1  PHE  16           2HD      PHE  16   7.829  -1.895   2.794
  121    HD2  PHE  16           1HD      PHE  16   6.507  -2.976  -1.152
  122    HE1  PHE  16           2HE      PHE  16   9.543  -3.674   2.704
  123    HE2  PHE  16           1HE      PHE  16   8.225  -4.753  -1.239
  124    HZ   PHE  16           HZ       PHE  16   9.748  -5.104   0.687
  125    H    ASN  17           H        ASN  17   5.903   1.584  -1.154
  126    HA   ASN  17           HA       ASN  17   7.890   0.731  -2.978
  127    HB2  ASN  17           2HB      ASN  17   5.462   1.401  -3.548
  128    HB3  ASN  17           1HB      ASN  17   5.940   3.108  -3.265
  129   HD21  ASN  17          1HD2      ASN  17   6.799   0.136  -5.165
  130   HD22  ASN  17          2HD2      ASN  17   7.379   0.962  -6.575
  131    H    HIS  18           H        HIS  18   7.379   3.492  -0.798
  132    HA   HIS  18           HA       HIS  18   9.523   5.068  -1.870
  133    HB2  HIS  18           2HB      HIS  18   7.945   5.278   0.759
  134    HB3  HIS  18           1HB      HIS  18   9.086   6.525   0.135
  135    HD1  HIS  18           1HD      HIS  18   6.106   7.216   0.666
  136    HD2  HIS  18           2HD      HIS  18   7.602   6.098  -3.094
  137    HE1  HIS  18           1HE      HIS  18   4.557   8.173  -1.127
  138    H    GLY  19           H        GLY  19   9.324   2.280   0.132
  139    HA2  GLY  19           2HA      GLY  19  11.629   2.946   1.763
  140    HA3  GLY  19           1HA      GLY  19  10.587   1.473   1.781
  141    H    GLU  20           H        GLU  20  10.626   0.693  -0.877
  142    HA   GLU  20           HA       GLU  20  13.181  -0.584  -0.875
  143    HB2  GLU  20           2HB      GLU  20  12.290  -2.074  -2.559
  144    HB3  GLU  20           1HB      GLU  20  11.106  -1.865  -1.226
  145    HG2  GLU  20           2HG      GLU  20   9.890  -0.135  -2.709
  146    HG3  GLU  20           1HG      GLU  20  10.973  -0.630  -4.057
  147    H    HIS  21           H        HIS  21  11.473   1.858  -2.858
  148    HA   HIS  21           HA       HIS  21  13.842   2.185  -4.472
  149    HB2  HIS  21           2HB      HIS  21  11.890   1.345  -5.804
  150    HB3  HIS  21           1HB      HIS  21  10.903   2.718  -5.212
  151    HD1  HIS  21           1HD      HIS  21  11.145   4.915  -6.579
  152    HD2  HIS  21           2HD      HIS  21  14.103   2.108  -7.569
  153    HE1  HIS  21           1HE      HIS  21  12.436   5.799  -8.599
  154    H    ILE  22           H        ILE  22  14.158   4.478  -5.100
  155    HA   ILE  22           HA       ILE  22  14.788   6.389  -4.496
  156    HB   ILE  22           HB       ILE  22  12.680   6.816  -5.580
  157   HG12  ILE  22          2HG1      ILE  22  13.453   9.006  -3.568
  158   HG13  ILE  22          1HG1      ILE  22  14.400   8.557  -5.028
  159   HG21  ILE  22          1HG2      ILE  22  10.726   7.682  -4.290
  160   HG22  ILE  22          2HG2      ILE  22  11.536   7.262  -2.742
  161   HG23  ILE  22          3HG2      ILE  22  11.070   5.970  -3.911
  162   HD11  ILE  22          3HD1      ILE  22  11.504   9.638  -5.011
  163   HD12  ILE  22          1HD1      ILE  22  12.413   9.111  -6.479
  164   HD13  ILE  22          2HD1      ILE  22  12.990  10.521  -5.514
  165    H    HIS  23           H        HIS  23  15.436   4.677  -2.568
  166    HA   HIS  23           HA       HIS  23  16.012   6.299  -0.361
  167    HB2  HIS  23           2HB      HIS  23  13.681   5.811   0.415
  168    HB3  HIS  23           1HB      HIS  23  13.884   4.079  -0.001
  169    HD1  HIS  23           1HD      HIS  23  13.296   3.506   2.521
  170    HD2  HIS  23           2HD      HIS  23  16.804   5.773   2.108
  171    HE1  HIS  23           1HE      HIS  23  14.553   3.445   4.745
  172    H    HIS  24           H        HIS  24  15.149   2.904  -1.169
  173    HA   HIS  24           HA       HIS  24  16.246   1.083  -1.440
  174    HB2  HIS  24           2HB      HIS  24  18.820   2.667  -1.879
  175    HB3  HIS  24           1HB      HIS  24  18.474   0.987  -2.416
  176    HD1  HIS  24           1HD      HIS  24  16.316   0.914  -4.249
  177    HD2  HIS  24           2HD      HIS  24  18.168   4.633  -3.673
  178    HE1  HIS  24           1HE      HIS  24  15.655   2.441  -6.188
  179    HN1  NH2  25           1H       NH2  25  16.986   0.920   2.136
  180    HN2  NH2  25           2H       NH2  25  15.674   1.326   1.077
  Start of MODEL    9
    1    H1   ACE   1           1HY      ACE   1  -6.080   4.645  13.388
    2    H2   ACE   1           2HY      ACE   1  -4.731   3.969  12.397
    3    H3   ACE   1           3HY      ACE   1  -5.858   5.184  11.678
    4    H    PHE   2           H        PHE   2  -8.297   4.475  11.828
    5    HA   PHE   2           HA       PHE   2  -8.657   1.589  11.493
    6    HB2  PHE   2           2HB      PHE   2 -10.737   3.858  11.741
    7    HB3  PHE   2           1HB      PHE   2 -11.106   2.089  11.677
    8    HD1  PHE   2           2HD      PHE   2  -9.861   0.602  13.470
    9    HD2  PHE   2           1HD      PHE   2 -10.480   4.841  13.849
   10    HE1  PHE   2           2HE      PHE   2  -9.567   0.430  15.921
   11    HE2  PHE   2           1HE      PHE   2 -10.189   4.663  16.298
   12    HZ   PHE   2           HZ       PHE   2  -9.729   2.458  17.338
   13    H    GLU   3           H        GLU   3 -10.510   1.197   9.817
   14    HA   GLU   3           HA       GLU   3 -11.292   1.146   7.795
   15    HB2  GLU   3           2HB      GLU   3 -10.067   3.874   7.214
   16    HB3  GLU   3           1HB      GLU   3 -10.937   2.875   6.017
   17    HG2  GLU   3           2HG      GLU   3 -12.520   4.455   6.811
   18    HG3  GLU   3           1HG      GLU   3 -12.981   2.845   7.470
   19    H    ASP   4           H        ASP   4 -10.697  -0.159   6.150
   20    HA   ASP   4           HA       ASP   4  -8.035   0.051   5.068
   21    HB2  ASP   4           2HB      ASP   4  -7.859  -1.814   6.808
   22    HB3  ASP   4           1HB      ASP   4  -9.215  -2.660   5.990
   23    H    LEU   5           H        LEU   5  -9.171   1.126   3.491
   24    HA   LEU   5           HA       LEU   5 -11.439  -0.055   2.209
   25    HB2  LEU   5           2HB      LEU   5  -9.701   2.351   1.378
   26    HB3  LEU   5           1HB      LEU   5 -11.340   1.974   0.748
   27    HG   LEU   5           HG       LEU   5 -10.634   2.756   3.643
   28   HD11  LEU   5          1HD1      LEU   5 -10.295   4.617   2.032
   29   HD12  LEU   5          2HD1      LEU   5 -11.696   4.931   3.122
   30   HD13  LEU   5          3HD1      LEU   5 -11.979   4.408   1.419
   31   HD21  LEU   5          3HD2      LEU   5 -12.665   1.320   3.612
   32   HD22  LEU   5          1HD2      LEU   5 -13.402   2.361   2.334
   33   HD23  LEU   5          2HD2      LEU   5 -13.095   3.026   3.982
   34    HA   PRO   6           HA       PRO   6  -8.801  -1.932  -0.882
   35    HB2  PRO   6           2HB      PRO   6 -10.443  -2.169  -3.130
   36    HB3  PRO   6           1HB      PRO   6 -10.791  -3.056  -1.596
   37    HG2  PRO   6           2HG      PRO   6 -11.958  -0.360  -2.485
   38    HG3  PRO   6           1HG      PRO   6 -12.857  -1.836  -1.932
   39    HD2  PRO   6           2HD      PRO   6 -12.232   0.236  -0.208
   40    HD3  PRO   6           1HD      PRO   6 -12.159  -1.499   0.356
   41    H    ASN   7           H        ASN   7  -9.329   1.178  -0.797
   42    HA   ASN   7           HA       ASN   7  -7.920   1.862  -3.260
   43    HB2  ASN   7           2HB      ASN   7 -10.152   3.063  -2.818
   44    HB3  ASN   7           1HB      ASN   7  -9.438   3.724  -1.309
   45   HD21  ASN   7          1HD2      ASN   7  -8.383   5.701  -1.521
   46   HD22  ASN   7          2HD2      ASN   7  -7.841   6.409  -3.007
   47    H    PHE   8           H        PHE   8  -8.050   1.768   0.188
   48    HA   PHE   8           HA       PHE   8  -5.670   3.276   0.685
   49    HB2  PHE   8           2HB      PHE   8  -7.658   3.183   2.292
   50    HB3  PHE   8           1HB      PHE   8  -7.284   1.446   2.580
   51    HD1  PHE   8           1HD      PHE   8  -5.402   4.758   2.494
   52    HD2  PHE   8           2HD      PHE   8  -6.114   1.046   4.549
   53    HE1  PHE   8           1HE      PHE   8  -3.788   5.413   4.244
   54    HE2  PHE   8           2HE      PHE   8  -4.517   1.716   6.310
   55    HZ   PHE   8           HZ       PHE   8  -3.343   3.897   6.159
   56    H    GLY   9           H        GLY   9  -6.356   0.093  -0.405
   57    HA2  GLY   9           2HA      GLY   9  -4.133  -1.229   0.810
   58    HA3  GLY   9           1HA      GLY   9  -5.185  -1.763  -0.558
   59    H    HIS  10           H        HIS  10  -4.637   0.908  -1.935
   60    HA   HIS  10           HA       HIS  10  -2.219   0.113  -3.302
   61    HB2  HIS  10           2HB      HIS  10  -4.098   2.511  -3.764
   62    HB3  HIS  10           1HB      HIS  10  -2.737   2.013  -4.829
   63    HD1  HIS  10           1HD      HIS  10  -6.192   0.752  -3.713
   64    HD2  HIS  10           2HD      HIS  10  -3.314   0.034  -6.680
   65    HE1  HIS  10           1HE      HIS  10  -7.205  -0.841  -5.432
   66    H    ILE  11           H        ILE  11  -3.348   2.380  -0.875
   67    HA   ILE  11           HA       ILE  11  -1.181   4.250  -1.192
   68    HB   ILE  11           HB       ILE  11  -3.522   4.025   0.741
   69   HG12  ILE  11          2HG1      ILE  11  -2.861   6.041  -1.502
   70   HG13  ILE  11          1HG1      ILE  11  -3.994   4.664  -1.688
   71   HG21  ILE  11          1HG2      ILE  11  -2.845   6.325   1.562
   72   HG22  ILE  11          2HG2      ILE  11  -1.327   6.204   0.596
   73   HG23  ILE  11          3HG2      ILE  11  -1.637   5.083   1.979
   74   HD11  ILE  11          3HD1      ILE  11  -5.293   6.690  -1.303
   75   HD12  ILE  11          1HD1      ILE  11  -4.379   7.077   0.195
   76   HD13  ILE  11          2HD1      ILE  11  -5.454   5.632   0.143
   77    H    GLN  12           H        GLN  12  -2.004   1.365   0.654
   78    HA   GLN  12           HA       GLN  12  -0.128   1.669   2.731
   79    HB2  GLN  12           2HB      GLN  12  -2.145   0.211   2.832
   80    HB3  GLN  12           1HB      GLN  12  -1.476  -0.813   1.519
   81    HG2  GLN  12           2HG      GLN  12   0.415  -1.514   3.042
   82    HG3  GLN  12           1HG      GLN  12  -0.204  -0.398   4.316
   83   HE21  GLN  12          1HE2      GLN  12  -1.448  -3.047   2.118
   84   HE22  GLN  12          2HE2      GLN  12  -2.439  -3.815   3.315
   85    H    VAL  13           H        VAL  13  -0.095   0.147  -0.517
   86    HA   VAL  13           HA       VAL  13   2.483  -1.009  -0.165
   87    HB   VAL  13           HB       VAL  13   0.619  -0.741  -2.567
   88   HG11  VAL  13          1HG1      VAL  13   3.269  -2.322  -2.273
   89   HG12  VAL  13          2HG1      VAL  13   2.916  -1.010  -3.465
   90   HG13  VAL  13          3HG1      VAL  13   2.060  -2.580  -3.585
   91   HG21  VAL  13          3HG2      VAL  13   0.191  -3.167  -2.085
   92   HG22  VAL  13          1HG2      VAL  13  -0.218  -2.169  -0.647
   93   HG23  VAL  13          2HG2      VAL  13   1.320  -3.099  -0.681
   94    H    LYS  14           H        LYS  14   1.263   2.072  -1.107
   95    HA   LYS  14           HA       LYS  14   3.313   2.966  -2.740
   96    HB2  LYS  14           2HB      LYS  14   0.933   4.001  -2.035
   97    HB3  LYS  14           1HB      LYS  14   1.874   4.811  -0.759
   98    HG2  LYS  14           2HG      LYS  14   1.782   6.384  -2.546
   99    HG3  LYS  14           1HG      LYS  14   3.423   5.674  -2.664
  100    HD2  LYS  14           2HD      LYS  14   2.594   5.767  -4.912
  101    HD3  LYS  14           1HD      LYS  14   2.495   4.039  -4.414
  102    HE2  LYS  14           2HE      LYS  14   0.478   4.729  -5.710
  103    HE3  LYS  14           1HE      LYS  14   0.018   4.288  -4.021
  104    HZ1  LYS  14           3HZ      LYS  14  -0.008   6.627  -3.476
  105    HZ2  LYS  14           1HZ      LYS  14  -1.063   6.280  -4.761
  106    HZ3  LYS  14           2HZ      LYS  14   0.424   7.041  -5.065
  107    H    VAL  15           H        VAL  15   3.018   2.745   0.795
  108    HA   VAL  15           HA       VAL  15   5.248   4.379   1.414
  109    HB   VAL  15           HB       VAL  15   3.828   2.252   3.107
  110   HG11  VAL  15          1HG1      VAL  15   4.723   3.644   5.029
  111   HG12  VAL  15          2HG1      VAL  15   5.670   4.632   3.855
  112   HG13  VAL  15          3HG1      VAL  15   6.040   2.879   4.081
  113   HG21  VAL  15          3HG2      VAL  15   3.299   5.278   2.749
  114   HG22  VAL  15          1HG2      VAL  15   2.561   4.240   4.024
  115   HG23  VAL  15          2HG2      VAL  15   2.193   3.925   2.299
  116    H    PHE  16           H        PHE  16   4.674   0.924   0.752
  117    HA   PHE  16           HA       PHE  16   7.139  -0.023   1.702
  118    HB2  PHE  16           2HB      PHE  16   5.059  -1.446   1.361
  119    HB3  PHE  16           1HB      PHE  16   5.258  -1.262  -0.416
  120    HD1  PHE  16           2HD      PHE  16   7.070  -2.434   2.686
  121    HD2  PHE  16           1HD      PHE  16   6.633  -2.789  -1.576
  122    HE1  PHE  16           2HE      PHE  16   8.630  -4.354   2.684
  123    HE2  PHE  16           1HE      PHE  16   8.196  -4.708  -1.576
  124    HZ   PHE  16           HZ       PHE  16   9.198  -5.493   0.555
  125    H    ASN  17           H        ASN  17   6.003   1.248  -1.461
  126    HA   ASN  17           HA       ASN  17   8.367   0.464  -2.856
  127    HB2  ASN  17           2HB      ASN  17   6.174   2.494  -3.633
  128    HB3  ASN  17           1HB      ASN  17   7.446   1.859  -4.743
  129   HD21  ASN  17          1HD2      ASN  17   7.436  -0.915  -4.056
  130   HD22  ASN  17          2HD2      ASN  17   5.915  -1.594  -4.534
  131    H    HIS  18           H        HIS  18   7.403   3.205  -0.886
  132    HA   HIS  18           HA       HIS  18   9.281   5.055  -1.955
  133    HB2  HIS  18           2HB      HIS  18   7.200   5.714  -0.680
  134    HB3  HIS  18           1HB      HIS  18   7.942   5.033   0.801
  135    HD1  HIS  18           1HD      HIS  18   8.495   7.862  -1.760
  136    HD2  HIS  18           2HD      HIS  18   9.827   6.672   2.026
  137    HE1  HIS  18           1HE      HIS  18   9.882   9.774  -0.780
  138    H    GLY  19           H        GLY  19   9.171   2.789   0.854
  139    HA2  GLY  19           2HA      GLY  19  11.908   3.420   1.562
  140    HA3  GLY  19           1HA      GLY  19  10.716   2.359   2.395
  141    H    GLU  20           H        GLU  20  11.033   1.846  -1.029
  142    HA   GLU  20           HA       GLU  20  12.301  -0.705  -0.632
  143    HB2  GLU  20           2HB      GLU  20  10.387  -0.327  -2.202
  144    HB3  GLU  20           1HB      GLU  20  11.398   0.758  -3.195
  145    HG2  GLU  20           2HG      GLU  20  12.075  -2.219  -2.636
  146    HG3  GLU  20           1HG      GLU  20  11.016  -1.687  -3.989
  147    H    HIS  21           H        HIS  21  12.972   2.529  -2.025
  148    HA   HIS  21           HA       HIS  21  15.403   1.794  -3.217
  149    HB2  HIS  21           2HB      HIS  21  14.286   4.571  -2.580
  150    HB3  HIS  21           1HB      HIS  21  15.615   4.219  -3.747
  151    HD1  HIS  21           1HD      HIS  21  14.822   2.642  -5.885
  152    HD2  HIS  21           2HD      HIS  21  11.742   4.256  -3.551
  153    HE1  HIS  21           1HE      HIS  21  12.639   2.410  -7.194
  154    H    ILE  22           H        ILE  22  17.349   3.456  -2.792
  155    HA   ILE  22           HA       ILE  22  18.221   3.000  -0.084
  156    HB   ILE  22           HB       ILE  22  19.682   4.216  -2.469
  157   HG12  ILE  22          2HG1      ILE  22  19.790   1.376  -1.277
  158   HG13  ILE  22          1HG1      ILE  22  19.012   1.829  -2.832
  159   HG21  ILE  22          1HG2      ILE  22  21.724   3.863  -1.032
  160   HG22  ILE  22          2HG2      ILE  22  20.681   3.260   0.309
  161   HG23  ILE  22          3HG2      ILE  22  20.580   4.979  -0.231
  162   HD11  ILE  22          3HD1      ILE  22  21.239   2.607  -3.722
  163   HD12  ILE  22          1HD1      ILE  22  21.211   0.856  -3.290
  164   HD13  ILE  22          2HD1      ILE  22  22.024   2.034  -2.201
  165    H    HIS  23           H        HIS  23  18.392   5.700  -2.302
  166    HA   HIS  23           HA       HIS  23  17.941   7.605  -0.204
  167    HB2  HIS  23           2HB      HIS  23  19.698   8.122  -1.895
  168    HB3  HIS  23           1HB      HIS  23  18.462   8.054  -3.193
  169    HD1  HIS  23           1HD      HIS  23  19.085  10.009   0.095
  170    HD2  HIS  23           2HD      HIS  23  17.310  10.614  -3.666
  171    HE1  HIS  23           1HE      HIS  23  18.295  12.434  -0.042
  172    H    HIS  24           H        HIS  24  15.950   8.472   0.224
  173    HA   HIS  24           HA       HIS  24  14.023   8.873  -1.813
  174    HB2  HIS  24           2HB      HIS  24  12.187   7.537  -0.644
  175    HB3  HIS  24           1HB      HIS  24  13.373   6.551  -1.545
  176    HD1  HIS  24           1HD      HIS  24  14.980   5.011  -0.148
  177    HD2  HIS  24           2HD      HIS  24  12.235   7.128   2.216
  178    HE1  HIS  24           1HE      HIS  24  14.981   3.980   2.184
  179    HN1  NH2  25           1H       NH2  25  12.985  10.737  -1.166
  180    HN2  NH2  25           2H       NH2  25  12.934  11.338   0.458
  Start of MODEL   10
    1    H1   ACE   1           1HY      ACE   1 -17.621   1.891   0.478
    2    H2   ACE   1           2HY      ACE   1 -16.498   0.532   0.086
    3    H3   ACE   1           3HY      ACE   1 -15.862   2.034   0.860
    4    H    PHE   2           H        PHE   2 -17.860   1.097  -2.020
    5    HA   PHE   2           HA       PHE   2 -17.933   1.663  -4.077
    6    HB2  PHE   2           2HB      PHE   2 -16.579   4.336  -3.375
    7    HB3  PHE   2           1HB      PHE   2 -17.401   3.940  -4.935
    8    HD1  PHE   2           2HD      PHE   2 -19.867   3.188  -4.817
    9    HD2  PHE   2           1HD      PHE   2 -17.854   5.161  -1.571
   10    HE1  PHE   2           2HE      PHE   2 -22.051   3.833  -3.851
   11    HE2  PHE   2           1HE      PHE   2 -20.040   5.806  -0.609
   12    HZ   PHE   2           HZ       PHE   2 -22.143   5.142  -1.745
   13    H    GLU   3           H        GLU   3 -15.185   3.616  -4.506
   14    HA   GLU   3           HA       GLU   3 -13.138   3.371  -5.174
   15    HB2  GLU   3           2HB      GLU   3 -13.212   0.384  -4.601
   16    HB3  GLU   3           1HB      GLU   3 -11.775   1.331  -5.113
   17    HG2  GLU   3           2HG      GLU   3 -11.900   2.722  -3.060
   18    HG3  GLU   3           1HG      GLU   3 -13.368   1.830  -2.513
   19    H    ASP   4           H        ASP   4 -12.347   3.457  -7.201
   20    HA   ASP   4           HA       ASP   4 -13.678   1.923  -9.298
   21    HB2  ASP   4           2HB      ASP   4 -13.470   4.425  -9.616
   22    HB3  ASP   4           1HB      ASP   4 -11.686   4.269  -9.543
   23    H    LEU   5           H        LEU   5 -10.451   3.100  -8.696
   24    HA   LEU   5           HA       LEU   5  -9.293   0.400  -8.870
   25    HB2  LEU   5           2HB      LEU   5  -8.006   3.184  -8.764
   26    HB3  LEU   5           1HB      LEU   5  -7.081   1.689  -8.398
   27    HG   LEU   5           HG       LEU   5  -7.611   0.768 -10.646
   28   HD11  LEU   5          1HD1      LEU   5  -8.307   2.332 -12.493
   29   HD12  LEU   5          2HD1      LEU   5  -8.738   3.575 -11.259
   30   HD13  LEU   5          3HD1      LEU   5  -9.632   2.007 -11.326
   31   HD21  LEU   5          3HD2      LEU   5  -6.136   3.476 -10.628
   32   HD22  LEU   5          1HD2      LEU   5  -5.934   2.160 -11.845
   33   HD23  LEU   5          2HD2      LEU   5  -5.451   1.882 -10.130
   34    HA   PRO   6           HA       PRO   6  -9.179   0.804  -4.328
   35    HB2  PRO   6           2HB      PRO   6  -7.032  -1.374  -4.632
   36    HB3  PRO   6           1HB      PRO   6  -8.404  -1.286  -3.456
   37    HG2  PRO   6           2HG      PRO   6  -8.555  -2.903  -5.651
   38    HG3  PRO   6           1HG      PRO   6  -9.986  -1.882  -5.199
   39    HD2  PRO   6           2HD      PRO   6  -7.841  -1.267  -7.323
   40    HD3  PRO   6           1HD      PRO   6  -9.661  -1.169  -7.449
   41    H    ASN   7           H        ASN   7  -8.252   2.939  -4.363
   42    HA   ASN   7           HA       ASN   7  -5.391   3.196  -4.564
   43    HB2  ASN   7           2HB      ASN   7  -7.084   4.936  -5.471
   44    HB3  ASN   7           1HB      ASN   7  -7.493   5.317  -3.766
   45   HD21  ASN   7          1HD2      ASN   7  -4.738   5.137  -6.127
   46   HD22  ASN   7          2HD2      ASN   7  -3.792   6.407  -5.423
   47    H    PHE   8           H        PHE   8  -7.925   2.825  -2.261
   48    HA   PHE   8           HA       PHE   8  -6.388   3.628   0.051
   49    HB2  PHE   8           2HB      PHE   8  -9.171   2.303  -0.144
   50    HB3  PHE   8           1HB      PHE   8  -8.441   3.021   1.347
   51    HD1  PHE   8           1HD      PHE   8  -7.711   5.519   1.200
   52    HD2  PHE   8           2HD      PHE   8 -10.423   3.682  -1.583
   53    HE1  PHE   8           1HE      PHE   8  -8.554   7.750   0.544
   54    HE2  PHE   8           2HE      PHE   8 -11.267   5.913  -2.236
   55    HZ   PHE   8           HZ       PHE   8 -10.331   7.952  -1.175
   56    H    GLY   9           H        GLY   9  -6.787   0.820  -1.913
   57    HA2  GLY   9           2HA      GLY   9  -6.021  -1.035   0.200
   58    HA3  GLY   9           1HA      GLY   9  -6.382  -1.355  -1.541
   59    H    HIS  10           H        HIS  10  -4.771   0.878  -2.509
   60    HA   HIS  10           HA       HIS  10  -2.211  -0.461  -2.523
   61    HB2  HIS  10           2HB      HIS  10  -3.429   0.284  -4.632
   62    HB3  HIS  10           1HB      HIS  10  -3.210   1.982  -4.105
   63    HD1  HIS  10           1HD      HIS  10  -1.058  -1.110  -4.985
   64    HD2  HIS  10           2HD      HIS  10  -0.795   3.077  -4.996
   65    HE1  HIS  10           1HE      HIS  10   1.167  -0.454  -6.057
   66    H    ILE  11           H        ILE  11  -3.524   1.659  -0.367
   67    HA   ILE  11           HA       ILE  11  -1.824   3.864  -0.529
   68    HB   ILE  11           HB       ILE  11  -4.129   3.778   0.465
   69   HG12  ILE  11          2HG1      ILE  11  -3.666   5.340   2.378
   70   HG13  ILE  11          1HG1      ILE  11  -1.907   5.042   2.180
   71   HG21  ILE  11          1HG2      ILE  11  -3.770   1.661   1.813
   72   HG22  ILE  11          2HG2      ILE  11  -4.475   3.026   2.754
   73   HG23  ILE  11          3HG2      ILE  11  -2.740   2.602   2.957
   74   HD11  ILE  11          3HD1      ILE  11  -2.687   7.159   1.046
   75   HD12  ILE  11          1HD1      ILE  11  -3.798   6.190   0.007
   76   HD13  ILE  11          2HD1      ILE  11  -2.012   5.993  -0.145
   77    H    GLN  12           H        GLN  12  -1.531   0.742   1.059
   78    HA   GLN  12           HA       GLN  12   0.559   1.445   2.841
   79    HB2  GLN  12           2HB      GLN  12  -1.138  -0.440   3.078
   80    HB3  GLN  12           1HB      GLN  12  -0.306  -1.322   1.772
   81    HG2  GLN  12           2HG      GLN  12   0.969  -0.444   4.467
   82    HG3  GLN  12           1HG      GLN  12   0.200  -2.045   4.185
   83   HE21  GLN  12          1HE2      GLN  12   1.106  -2.998   1.835
   84   HE22  GLN  12          2HE2      GLN  12   2.834  -3.118   1.803
   85    H    VAL  13           H        VAL  13   0.235   0.268  -0.487
   86    HA   VAL  13           HA       VAL  13   2.845  -0.735  -0.716
   87    HB   VAL  13           HB       VAL  13   0.852  -0.049  -2.921
   88   HG11  VAL  13          1HG1      VAL  13   3.116  -0.498  -3.857
   89   HG12  VAL  13          2HG1      VAL  13   2.069  -1.921  -4.147
   90   HG13  VAL  13          3HG1      VAL  13   3.289  -1.965  -2.820
   91   HG21  VAL  13          3HG2      VAL  13   0.206  -2.495  -2.713
   92   HG22  VAL  13          1HG2      VAL  13  -0.257  -1.535  -1.274
   93   HG23  VAL  13          2HG2      VAL  13   1.198  -2.604  -1.214
   94    H    LYS  14           H        LYS  14   1.485   2.421  -1.036
   95    HA   LYS  14           HA       LYS  14   3.440   3.539  -2.777
   96    HB2  LYS  14           2HB      LYS  14   1.662   4.876  -0.653
   97    HB3  LYS  14           1HB      LYS  14   2.673   5.764  -1.850
   98    HG2  LYS  14           2HG      LYS  14   1.367   4.759  -3.722
   99    HG3  LYS  14           1HG      LYS  14   0.361   3.863  -2.534
  100    HD2  LYS  14           2HD      LYS  14  -0.334   6.070  -1.507
  101    HD3  LYS  14           1HD      LYS  14   0.598   6.921  -2.784
  102    HE2  LYS  14           2HE      LYS  14  -1.793   6.900  -3.400
  103    HE3  LYS  14           1HE      LYS  14  -0.885   5.837  -4.552
  104    HZ1  LYS  14           3HZ      LYS  14  -1.596   3.940  -3.248
  105    HZ2  LYS  14           1HZ      LYS  14  -2.924   4.840  -3.808
  106    HZ3  LYS  14           2HZ      LYS  14  -2.450   4.948  -2.181
  107    H    VAL  15           H        VAL  15   3.097   3.184   0.769
  108    HA   VAL  15           HA       VAL  15   5.404   4.706   1.409
  109    HB   VAL  15           HB       VAL  15   3.828   2.683   3.094
  110   HG11  VAL  15          1HG1      VAL  15   6.053   3.221   4.099
  111   HG12  VAL  15          2HG1      VAL  15   4.750   4.049   5.017
  112   HG13  VAL  15          3HG1      VAL  15   5.760   4.986   3.854
  113   HG21  VAL  15          3HG2      VAL  15   2.296   4.426   2.211
  114   HG22  VAL  15          1HG2      VAL  15   3.458   5.726   2.682
  115   HG23  VAL  15          2HG2      VAL  15   2.633   4.739   3.945
  116    H    PHE  16           H        PHE  16   4.604   1.281   0.851
  117    HA   PHE  16           HA       PHE  16   6.912   0.163   1.938
  118    HB2  PHE  16           2HB      PHE  16   4.687  -1.026   1.492
  119    HB3  PHE  16           1HB      PHE  16   5.065  -0.990  -0.263
  120    HD1  PHE  16           1HD      PHE  16   6.294  -2.196   3.080
  121    HD2  PHE  16           2HD      PHE  16   6.488  -2.675  -1.188
  122    HE1  PHE  16           1HE      PHE  16   7.598  -4.280   3.371
  123    HE2  PHE  16           2HE      PHE  16   7.789  -4.760  -0.894
  124    HZ   PHE  16           HZ       PHE  16   8.348  -5.564   1.385
  125    H    ASN  17           H        ASN  17   5.998   1.115  -1.420
  126    HA   ASN  17           HA       ASN  17   8.355   0.039  -2.559
  127    HB2  ASN  17           2HB      ASN  17   6.036   0.270  -3.679
  128    HB3  ASN  17           1HB      ASN  17   6.373   2.027  -3.838
  129   HD21  ASN  17          1HD2      ASN  17   7.590  -1.282  -4.665
  130   HD22  ASN  17          2HD2      ASN  17   8.426  -0.840  -6.119
  131    H    HIS  18           H        HIS  18   7.554   3.066  -0.998
  132    HA   HIS  18           HA       HIS  18   9.507   4.665  -2.326
  133    HB2  HIS  18           2HB      HIS  18   7.496   5.640  -1.178
  134    HB3  HIS  18           1HB      HIS  18   8.149   5.076   0.393
  135    HD1  HIS  18           1HD      HIS  18   8.916   7.581  -2.422
  136    HD2  HIS  18           2HD      HIS  18  10.223   6.647   1.447
  137    HE1  HIS  18           1HE      HIS  18  10.498   9.437  -1.654
  138    H    GLY  19           H        GLY  19   9.321   2.804   0.762
  139    HA2  GLY  19           2HA      GLY  19  11.921   3.609   1.600
  140    HA3  GLY  19           1HA      GLY  19  10.805   2.392   2.325
  141    H    GLU  20           H        GLU  20  10.611   0.995  -0.349
  142    HA   GLU  20           HA       GLU  20  12.844  -0.775  -0.009
  143    HB2  GLU  20           2HB      GLU  20  10.544  -1.615  -0.486
  144    HB3  GLU  20           1HB      GLU  20  10.520  -0.700  -2.028
  145    HG2  GLU  20           2HG      GLU  20  12.449  -2.144  -2.864
  146    HG3  GLU  20           1HG      GLU  20  12.402  -3.051  -1.305
  147    H    HIS  21           H        HIS  21  11.442   1.258  -2.608
  148    HA   HIS  21           HA       HIS  21  12.108   2.277  -4.282
  149    HB2  HIS  21           2HB      HIS  21  13.727   3.338  -2.757
  150    HB3  HIS  21           1HB      HIS  21  14.971   2.148  -3.267
  151    HD1  HIS  21           1HD      HIS  21  16.568   3.744  -4.455
  152    HD2  HIS  21           2HD      HIS  21  12.632   4.285  -5.816
  153    HE1  HIS  21           1HE      HIS  21  16.613   5.376  -6.421
  154    H    ILE  22           H        ILE  22  12.733   2.061  -6.430
  155    HA   ILE  22           HA       ILE  22  13.268  -0.703  -7.157
  156    HB   ILE  22           HB       ILE  22  12.232   1.627  -8.834
  157   HG12  ILE  22          2HG1      ILE  22  10.738  -0.735  -7.530
  158   HG13  ILE  22          1HG1      ILE  22  10.651   0.981  -7.005
  159   HG21  ILE  22          1HG2      ILE  22  11.705  -0.182 -10.507
  160   HG22  ILE  22          2HG2      ILE  22  12.447  -1.411  -9.417
  161   HG23  ILE  22          3HG2      ILE  22  13.460  -0.125 -10.173
  162   HD11  ILE  22          3HD1      ILE  22   9.689   1.617  -9.248
  163   HD12  ILE  22          1HD1      ILE  22   8.662   0.460  -8.321
  164   HD13  ILE  22          2HD1      ILE  22   9.651  -0.131  -9.702
  165    H    HIS  23           H        HIS  23  14.077   2.570  -8.013
  166    HA   HIS  23           HA       HIS  23  15.850   3.641  -8.642
  167    HB2  HIS  23           2HB      HIS  23  17.041   2.345  -6.785
  168    HB3  HIS  23           1HB      HIS  23  17.663   1.248  -8.061
  169    HD1  HIS  23           1HD      HIS  23  20.125   2.056  -7.511
  170    HD2  HIS  23           2HD      HIS  23  17.621   5.183  -8.766
  171    HE1  HIS  23           1HE      HIS  23  21.583   4.093  -8.015
  172    H    HIS  24           H        HIS  24  18.252   2.504 -10.078
  173    HA   HIS  24           HA       HIS  24  16.980   2.253 -12.670
  174    HB2  HIS  24           2HB      HIS  24  18.872   3.857 -12.320
  175    HB3  HIS  24           1HB      HIS  24  19.945   2.493 -11.875
  176    HD1  HIS  24           1HD      HIS  24  20.395   0.731 -13.983
  177    HD2  HIS  24           2HD      HIS  24  18.614   4.388 -15.012
  178    HE1  HIS  24           1HE      HIS  24  20.625   1.046 -16.510
  179    HN1  NH2  25           1H       NH2  25  17.436  -1.243 -13.017
  180    HN2  NH2  25           2H       NH2  25  16.572   0.195 -13.450
  Start of MODEL   11
    1    H1   ACE   1           1HY      ACE   1 -10.683   0.372 -10.109
    2    H2   ACE   1           2HY      ACE   1  -9.646  -0.995  -9.562
    3    H3   ACE   1           3HY      ACE   1 -10.160  -0.897 -11.287
    4    H    PHE   2           H        PHE   2 -13.673  -1.794 -10.352
    5    HA   PHE   2           HA       PHE   2 -12.131  -0.143 -12.159
    6    HB2  PHE   2           2HB      PHE   2 -13.795  -1.777 -13.078
    7    HB3  PHE   2           1HB      PHE   2 -15.103  -0.985 -12.136
    8    HD1  PHE   2           2HD      PHE   2 -12.264   0.334 -14.337
    9    HD2  PHE   2           1HD      PHE   2 -16.502   0.130 -13.616
   10    HE1  PHE   2           2HE      PHE   2 -12.663   1.867 -16.225
   11    HE2  PHE   2           1HE      PHE   2 -16.893   1.662 -15.515
   12    HZ   PHE   2           HZ       PHE   2 -14.975   2.538 -16.821
   13    H    GLU   3           H        GLU   3 -15.329   0.216 -10.497
   14    HA   GLU   3           HA       GLU   3 -14.771   3.020  -9.962
   15    HB2  GLU   3           2HB      GLU   3 -17.241   1.287  -9.370
   16    HB3  GLU   3           1HB      GLU   3 -17.131   3.063  -9.118
   17    HG2  GLU   3           2HG      GLU   3 -16.975   1.583 -11.827
   18    HG3  GLU   3           1HG      GLU   3 -18.379   2.511 -11.194
   19    H    ASP   4           H        ASP   4 -14.197  -0.004  -8.524
   20    HA   ASP   4           HA       ASP   4 -14.260   1.063  -5.802
   21    HB2  ASP   4           2HB      ASP   4 -14.246  -1.353  -5.065
   22    HB3  ASP   4           1HB      ASP   4 -15.758  -0.833  -5.872
   23    H    LEU   5           H        LEU   5 -12.330   2.188  -6.865
   24    HA   LEU   5           HA       LEU   5 -10.089   0.700  -7.578
   25    HB2  LEU   5           2HB      LEU   5 -10.110   3.595  -6.538
   26    HB3  LEU   5           1HB      LEU   5  -8.759   2.759  -7.375
   27    HG   LEU   5           HG       LEU   5 -10.545   2.416  -9.319
   28   HD11  LEU   5          1HD1      LEU   5 -11.618   4.974  -7.950
   29   HD12  LEU   5          2HD1      LEU   5 -12.519   3.428  -8.142
   30   HD13  LEU   5          3HD1      LEU   5 -12.066   4.384  -9.594
   31   HD21  LEU   5          3HD2      LEU   5  -8.388   3.627  -9.512
   32   HD22  LEU   5          1HD2      LEU   5  -9.131   5.102  -8.787
   33   HD23  LEU   5          2HD2      LEU   5  -9.703   4.497 -10.387
   34    HA   PRO   6           HA       PRO   6  -8.347   0.260  -3.374
   35    HB2  PRO   6           2HB      PRO   6  -5.763  -0.106  -4.992
   36    HB3  PRO   6           1HB      PRO   6  -6.376  -1.078  -3.598
   37    HG2  PRO   6           2HG      PRO   6  -6.586  -2.020  -6.153
   38    HG3  PRO   6           1HG      PRO   6  -7.997  -2.182  -5.022
   39    HD2  PRO   6           2HD      PRO   6  -7.554  -0.013  -7.165
   40    HD3  PRO   6           1HD      PRO   6  -9.037  -1.023  -6.828
   41    H    ASN   7           H        ASN   7  -8.642   2.465  -2.746
   42    HA   ASN   7           HA       ASN   7  -6.641   4.399  -3.568
   43    HB2  ASN   7           2HB      ASN   7  -9.095   5.049  -3.504
   44    HB3  ASN   7           1HB      ASN   7  -9.113   4.717  -1.745
   45   HD21  ASN   7          1HD2      ASN   7  -8.560   6.443  -0.399
   46   HD22  ASN   7          2HD2      ASN   7  -7.795   7.913  -0.907
   47    H    PHE   8           H        PHE   8  -8.128   3.006  -0.748
   48    HA   PHE   8           HA       PHE   8  -5.959   3.736   1.030
   49    HB2  PHE   8           2HB      PHE   8  -8.565   2.163   1.566
   50    HB3  PHE   8           1HB      PHE   8  -7.402   2.721   2.834
   51    HD1  PHE   8           2HD      PHE   8  -6.848   5.265   2.872
   52    HD2  PHE   8           1HD      PHE   8 -10.303   3.618   0.912
   53    HE1  PHE   8           2HE      PHE   8  -7.958   7.474   2.968
   54    HE2  PHE   8           1HE      PHE   8 -11.410   5.828   1.010
   55    HZ   PHE   8           HZ       PHE   8 -10.241   7.759   2.039
   56    H    GLY   9           H        GLY   9  -6.561   1.217  -1.150
   57    HA2  GLY   9           2HA      GLY   9  -5.311  -0.867   0.445
   58    HA3  GLY   9           1HA      GLY   9  -5.978  -0.940  -1.231
   59    H    HIS  10           H        HIS  10  -4.697   1.305  -2.364
   60    HA   HIS  10           HA       HIS  10  -2.183   0.055  -2.915
   61    HB2  HIS  10           2HB      HIS  10  -3.662   0.906  -4.742
   62    HB3  HIS  10           1HB      HIS  10  -3.439   2.576  -4.124
   63    HD1  HIS  10           1HD      HIS  10  -1.046  -0.309  -5.167
   64    HD2  HIS  10           2HD      HIS  10  -1.448   3.850  -5.536
   65    HE1  HIS  10           1HE      HIS  10   0.937   0.564  -6.521
   66    H    ILE  11           H        ILE  11  -3.244   2.636  -0.801
   67    HA   ILE  11           HA       ILE  11  -0.867   4.168  -0.985
   68    HB   ILE  11           HB       ILE  11  -3.097   5.028  -0.282
   69   HG12  ILE  11          2HG1      ILE  11  -0.798   5.580   1.689
   70   HG13  ILE  11          1HG1      ILE  11  -0.920   6.239   0.021
   71   HG21  ILE  11          1HG2      ILE  11  -3.639   3.084   1.264
   72   HG22  ILE  11          2HG2      ILE  11  -3.898   4.700   2.005
   73   HG23  ILE  11          3HG2      ILE  11  -2.447   3.732   2.449
   74   HD11  ILE  11          3HD1      ILE  11  -3.098   7.361   0.635
   75   HD12  ILE  11          1HD1      ILE  11  -1.715   7.919   1.649
   76   HD13  ILE  11          2HD1      ILE  11  -2.914   6.760   2.326
   77    H    GLN  12           H        GLN  12  -1.792   1.234   0.657
   78    HA   GLN  12           HA       GLN  12   0.179   1.274   2.699
   79    HB2  GLN  12           2HB      GLN  12  -1.368  -1.066   1.436
   80    HB3  GLN  12           1HB      GLN  12  -0.422  -1.133   2.969
   81    HG2  GLN  12           2HG      GLN  12  -1.991   0.537   4.009
   82    HG3  GLN  12           1HG      GLN  12  -2.923   0.626   2.469
   83   HE21  GLN  12          1HE2      GLN  12  -1.740  -1.766   4.948
   84   HE22  GLN  12          2HE2      GLN  12  -3.099  -2.836   4.824
   85    H    VAL  13           H        VAL  13  -0.018   0.254  -0.694
   86    HA   VAL  13           HA       VAL  13   2.312  -1.347  -0.679
   87    HB   VAL  13           HB       VAL  13   0.859  -0.026  -3.031
   88   HG11  VAL  13          1HG1      VAL  13   3.137  -0.807  -3.686
   89   HG12  VAL  13          2HG1      VAL  13   1.896  -1.923  -4.347
   90   HG13  VAL  13          3HG1      VAL  13   2.844  -2.401  -2.890
   91   HG21  VAL  13          3HG2      VAL  13   0.471  -2.786  -1.688
   92   HG22  VAL  13          1HG2      VAL  13  -0.286  -2.264  -3.239
   93   HG23  VAL  13          2HG2      VAL  13  -0.717  -1.428  -1.711
   94    H    LYS  14           H        LYS  14   1.540   1.997  -1.105
   95    HA   LYS  14           HA       LYS  14   4.021   2.781  -2.292
   96    HB2  LYS  14           2HB      LYS  14   1.704   4.381  -1.103
   97    HB3  LYS  14           1HB      LYS  14   3.171   5.146  -1.812
   98    HG2  LYS  14           2HG      LYS  14   2.730   4.146  -4.011
   99    HG3  LYS  14           1HG      LYS  14   1.353   3.216  -3.346
  100    HD2  LYS  14           2HD      LYS  14   0.381   4.985  -4.519
  101    HD3  LYS  14           1HD      LYS  14   0.187   5.431  -2.795
  102    HE2  LYS  14           2HE      LYS  14   2.414   6.530  -4.670
  103    HE3  LYS  14           1HE      LYS  14   0.816   7.335  -4.408
  104    HZ1  LYS  14           3HZ      LYS  14   2.841   6.780  -2.311
  105    HZ2  LYS  14           1HZ      LYS  14   1.338   7.539  -2.084
  106    HZ3  LYS  14           2HZ      LYS  14   2.526   8.277  -3.048
  107    H    VAL  15           H        VAL  15   3.382   1.774   0.872
  108    HA   VAL  15           HA       VAL  15   5.162   3.688   2.127
  109    HB   VAL  15           HB       VAL  15   4.020   1.030   3.169
  110   HG11  VAL  15          1HG1      VAL  15   6.105   1.683   4.383
  111   HG12  VAL  15          2HG1      VAL  15   4.670   1.983   5.421
  112   HG13  VAL  15          3HG1      VAL  15   5.480   3.364   4.592
  113   HG21  VAL  15          3HG2      VAL  15   2.193   2.627   2.692
  114   HG22  VAL  15          1HG2      VAL  15   3.077   3.952   3.543
  115   HG23  VAL  15          2HG2      VAL  15   2.455   2.532   4.464
  116    H    PHE  16           H        PHE  16   5.078   0.315   0.932
  117    HA   PHE  16           HA       PHE  16   7.758  -0.250   1.685
  118    HB2  PHE  16           2HB      PHE  16   5.906  -1.734  -0.297
  119    HB3  PHE  16           1HB      PHE  16   7.404  -2.402   0.469
  120    HD1  PHE  16           2HD      PHE  16   7.411  -2.156   3.168
  121    HD2  PHE  16           1HD      PHE  16   3.892  -2.306   0.701
  122    HE1  PHE  16           2HE      PHE  16   6.075  -2.890   5.114
  123    HE2  PHE  16           1HE      PHE  16   2.558  -3.042   2.649
  124    HZ   PHE  16           HZ       PHE  16   3.647  -3.333   4.860
  125    H    ASN  17           H        ASN  17   6.109   1.023  -1.182
  126    HA   ASN  17           HA       ASN  17   8.214   0.421  -2.983
  127    HB2  ASN  17           2HB      ASN  17   5.715   0.625  -3.578
  128    HB3  ASN  17           1HB      ASN  17   5.866   2.398  -3.333
  129   HD21  ASN  17          1HD2      ASN  17   7.163  -0.403  -5.229
  130   HD22  ASN  17          2HD2      ASN  17   7.606   0.500  -6.641
  131    H    HIS  18           H        HIS  18   7.118   3.350  -1.148
  132    HA   HIS  18           HA       HIS  18   9.106   4.981  -2.470
  133    HB2  HIS  18           2HB      HIS  18   7.080   5.607  -0.263
  134    HB3  HIS  18           1HB      HIS  18   8.250   6.795  -0.925
  135    HD1  HIS  18           1HD      HIS  18   5.847   4.401  -2.828
  136    HD2  HIS  18           2HD      HIS  18   6.893   8.453  -2.551
  137    HE1  HIS  18           1HE      HIS  18   4.482   5.692  -4.558
  138    H    GLY  19           H        GLY  19   8.957   2.832   0.214
  139    HA2  GLY  19           2HA      GLY  19  11.027   4.138   1.750
  140    HA3  GLY  19           1HA      GLY  19  10.211   2.551   2.022
  141    H    GLU  20           H        GLU  20  10.660   1.767  -0.856
  142    HA   GLU  20           HA       GLU  20  13.289   0.647  -0.489
  143    HB2  GLU  20           2HB      GLU  20  11.422  -0.763  -1.296
  144    HB3  GLU  20           1HB      GLU  20  11.197   0.304  -2.715
  145    HG2  GLU  20           2HG      GLU  20  13.527  -0.339  -3.523
  146    HG3  GLU  20           1HG      GLU  20  13.721  -1.377  -2.061
  147    H    HIS  21           H        HIS  21  11.728   2.106  -3.425
  148    HA   HIS  21           HA       HIS  21  14.226   3.340  -4.098
  149    HB2  HIS  21           2HB      HIS  21  12.958   2.005  -5.806
  150    HB3  HIS  21           1HB      HIS  21  11.623   3.201  -5.705
  151    HD1  HIS  21           1HD      HIS  21  12.136   5.553  -6.892
  152    HD2  HIS  21           2HD      HIS  21  15.285   2.796  -7.178
  153    HE1  HIS  21           1HE      HIS  21  13.804   6.427  -8.619
  154    H    ILE  22           H        ILE  22  14.384   5.593  -4.436
  155    HA   ILE  22           HA       ILE  22  12.231   7.223  -3.269
  156    HB   ILE  22           HB       ILE  22  15.230   7.752  -3.018
  157   HG12  ILE  22          2HG1      ILE  22  14.452   7.743  -0.485
  158   HG13  ILE  22          1HG1      ILE  22  13.132   6.674  -1.063
  159   HG21  ILE  22          1HG2      ILE  22  12.722   9.302  -2.059
  160   HG22  ILE  22          2HG2      ILE  22  13.875   9.845  -3.337
  161   HG23  ILE  22          3HG2      ILE  22  14.428   9.703  -1.636
  162   HD11  ILE  22          3HD1      ILE  22  16.177   6.171  -1.393
  163   HD12  ILE  22          1HD1      ILE  22  14.873   5.027  -1.877
  164   HD13  ILE  22          2HD1      ILE  22  15.118   5.418  -0.143
  165    H    HIS  23           H        HIS  23  15.233   7.811  -4.950
  166    HA   HIS  23           HA       HIS  23  13.921   8.560  -7.380
  167    HB2  HIS  23           2HB      HIS  23  13.894  10.733  -6.090
  168    HB3  HIS  23           1HB      HIS  23  15.646  10.545  -5.752
  169    HD1  HIS  23           1HD      HIS  23  16.026  12.873  -6.995
  170    HD2  HIS  23           2HD      HIS  23  14.465   9.881  -9.492
  171    HE1  HIS  23           1HE      HIS  23  16.246  13.659  -9.416
  172    H    HIS  24           H        HIS  24  16.994   8.818  -5.527
  173    HA   HIS  24           HA       HIS  24  19.002   8.156  -5.864
  174    HB2  HIS  24           2HB      HIS  24  17.902   5.941  -7.666
  175    HB3  HIS  24           1HB      HIS  24  19.555   6.025  -6.960
  176    HD1  HIS  24           1HD      HIS  24  15.911   5.553  -5.843
  177    HD2  HIS  24           2HD      HIS  24  19.804   5.155  -4.332
  178    HE1  HIS  24           1HE      HIS  24  15.771   4.388  -3.570
  179    HN1  NH2  25           1H       NH2  25  19.710   8.283  -9.831
  180    HN2  NH2  25           2H       NH2  25  19.236   6.847  -8.986
  Start of MODEL   12
    1    H1   ACE   1           1HY      ACE   1  -1.818   1.817   4.090
    2    H2   ACE   1           2HY      ACE   1  -1.537   1.961   5.868
    3    H3   ACE   1           3HY      ACE   1  -0.388   1.016   4.845
    4    H    PHE   2           H        PHE   2  -3.646   0.662   3.867
    5    HA   PHE   2           HA       PHE   2  -5.041  -0.908   3.731
    6    HB2  PHE   2           2HB      PHE   2  -3.218  -2.555   3.358
    7    HB3  PHE   2           1HB      PHE   2  -3.118  -2.844   5.132
    8    HD1  PHE   2           1HD      PHE   2  -5.914  -2.670   2.535
    9    HD2  PHE   2           2HD      PHE   2  -4.085  -4.850   5.760
   10    HE1  PHE   2           1HE      PHE   2  -7.651  -4.412   2.346
   11    HE2  PHE   2           2HE      PHE   2  -5.830  -6.590   5.564
   12    HZ   PHE   2           HZ       PHE   2  -7.621  -6.370   3.862
   13    H    GLU   3           H        GLU   3  -6.925  -0.833   4.716
   14    HA   GLU   3           HA       GLU   3  -7.021  -1.000   7.653
   15    HB2  GLU   3           2HB      GLU   3  -9.078   0.133   5.655
   16    HB3  GLU   3           1HB      GLU   3  -9.321  -0.004   7.437
   17    HG2  GLU   3           2HG      GLU   3  -7.247   1.754   5.981
   18    HG3  GLU   3           1HG      GLU   3  -8.763   2.313   6.769
   19    H    ASP   4           H        ASP   4 -10.027  -1.521   6.261
   20    HA   ASP   4           HA       ASP   4  -9.661  -4.411   6.148
   21    HB2  ASP   4           2HB      ASP   4 -12.131  -4.584   6.285
   22    HB3  ASP   4           1HB      ASP   4 -11.443  -3.744   7.712
   23    H    LEU   5           H        LEU   5 -10.403  -1.524   4.399
   24    HA   LEU   5           HA       LEU   5 -11.304  -2.929   2.048
   25    HB2  LEU   5           2HB      LEU   5 -10.787   0.071   2.488
   26    HB3  LEU   5           1HB      LEU   5 -11.574  -0.647   1.038
   27    HG   LEU   5           HG       LEU   5 -12.667  -0.732   3.914
   28   HD11  LEU   5          1HD1      LEU   5 -13.535   0.990   1.510
   29   HD12  LEU   5          2HD1      LEU   5 -12.656   1.565   2.976
   30   HD13  LEU   5          3HD1      LEU   5 -14.337   0.929   3.126
   31   HD21  LEU   5          3HD2      LEU   5 -14.809  -1.502   2.856
   32   HD22  LEU   5          1HD2      LEU   5 -13.487  -2.698   2.640
   33   HD23  LEU   5          2HD2      LEU   5 -13.973  -1.635   1.263
   34    HA   PRO   6           HA       PRO   6  -7.127  -2.551   0.367
   35    HB2  PRO   6           2HB      PRO   6  -7.525  -3.406  -2.234
   36    HB3  PRO   6           1HB      PRO   6  -7.813  -4.519  -0.843
   37    HG2  PRO   6           2HG      PRO   6  -9.906  -2.817  -2.314
   38    HG3  PRO   6           1HG      PRO   6  -9.949  -4.601  -1.989
   39    HD2  PRO   6           2HD      PRO   6 -11.172  -2.722  -0.325
   40    HD3  PRO   6           1HD      PRO   6 -10.425  -4.251   0.336
   41    H    ASN   7           H        ASN   7  -9.251  -0.262   0.286
   42    HA   ASN   7           HA       ASN   7  -8.559   1.217  -2.061
   43    HB2  ASN   7           2HB      ASN   7 -10.858   1.357  -0.951
   44    HB3  ASN   7           1HB      ASN   7 -10.076   2.086   0.489
   45   HD21  ASN   7          1HD2      ASN   7 -10.237   2.532  -3.138
   46   HD22  ASN   7          2HD2      ASN   7 -10.319   4.262  -3.105
   47    H    PHE   8           H        PHE   8  -7.932   1.165   1.360
   48    HA   PHE   8           HA       PHE   8  -5.862   3.197   1.202
   49    HB2  PHE   8           2HB      PHE   8  -7.540   2.997   3.186
   50    HB3  PHE   8           1HB      PHE   8  -6.632   1.523   3.680
   51    HD1  PHE   8           1HD      PHE   8  -5.855   5.067   2.505
   52    HD2  PHE   8           2HD      PHE   8  -5.066   1.968   5.381
   53    HE1  PHE   8           1HE      PHE   8  -4.247   6.541   3.658
   54    HE2  PHE   8           2HE      PHE   8  -3.463   3.448   6.534
   55    HZ   PHE   8           HZ       PHE   8  -3.043   5.737   5.672
   56    H    GLY   9           H        GLY   9  -6.243  -0.157   0.712
   57    HA2  GLY   9           2HA      GLY   9  -3.593  -0.955   1.496
   58    HA3  GLY   9           1HA      GLY   9  -4.871  -1.885   0.630
   59    H    HIS  10           H        HIS  10  -4.820   0.924  -1.023
   60    HA   HIS  10           HA       HIS  10  -2.919   0.029  -3.031
   61    HB2  HIS  10           2HB      HIS  10  -5.128   0.875  -3.796
   62    HB3  HIS  10           1HB      HIS  10  -4.866   2.416  -2.921
   63    HD1  HIS  10           1HD      HIS  10  -3.214   4.139  -4.075
   64    HD2  HIS  10           2HD      HIS  10  -3.630   0.558  -6.223
   65    HE1  HIS  10           1HE      HIS  10  -2.149   4.464  -6.376
   66    H    ILE  11           H        ILE  11  -3.526   2.580  -0.602
   67    HA   ILE  11           HA       ILE  11  -1.292   4.183  -1.215
   68    HB   ILE  11           HB       ILE  11  -3.294   4.010   1.056
   69   HG12  ILE  11          2HG1      ILE  11  -3.660   6.428   0.384
   70   HG13  ILE  11          1HG1      ILE  11  -2.505   6.204  -0.972
   71   HG21  ILE  11          1HG2      ILE  11  -2.207   6.031   2.104
   72   HG22  ILE  11          2HG2      ILE  11  -0.777   5.799   1.036
   73   HG23  ILE  11          3HG2      ILE  11  -1.216   4.549   2.269
   74   HD11  ILE  11          3HD1      ILE  11  -4.933   6.096  -1.660
   75   HD12  ILE  11          1HD1      ILE  11  -5.159   4.654  -0.608
   76   HD13  ILE  11          2HD1      ILE  11  -4.067   4.571  -2.044
   77    H    GLN  12           H        GLN  12  -1.797   1.259   0.674
   78    HA   GLN  12           HA       GLN  12   0.425   1.264   2.307
   79    HB2  GLN  12           2HB      GLN  12  -1.552  -0.298   2.336
   80    HB3  GLN  12           1HB      GLN  12  -0.922  -1.121   0.888
   81    HG2  GLN  12           2HG      GLN  12   0.581  -0.906   3.597
   82    HG3  GLN  12           1HG      GLN  12  -0.547  -2.245   3.185
   83   HE21  GLN  12          1HE2      GLN  12  -0.002  -3.095   0.710
   84   HE22  GLN  12          2HE2      GLN  12   1.651  -3.583   0.525
   85    H    VAL  13           H        VAL  13   0.035   0.334  -1.139
   86    HA   VAL  13           HA       VAL  13   2.538  -0.878  -1.390
   87    HB   VAL  13           HB       VAL  13   0.647   0.208  -3.536
   88   HG11  VAL  13          1HG1      VAL  13   2.892  -0.209  -4.524
   89   HG12  VAL  13          2HG1      VAL  13   1.778  -1.532  -5.001
   90   HG13  VAL  13          3HG1      VAL  13   2.991  -1.812  -3.697
   91   HG21  VAL  13          3HG2      VAL  13   0.887  -2.569  -2.199
   92   HG22  VAL  13          1HG2      VAL  13  -0.145  -2.185  -3.627
   93   HG23  VAL  13          2HG2      VAL  13  -0.491  -1.416  -2.043
   94    H    LYS  14           H        LYS  14   1.466   2.409  -1.665
   95    HA   LYS  14           HA       LYS  14   3.695   3.367  -3.186
   96    HB2  LYS  14           2HB      LYS  14   1.544   4.778  -1.534
   97    HB3  LYS  14           1HB      LYS  14   2.984   5.670  -2.118
   98    HG2  LYS  14           2HG      LYS  14   1.289   6.147  -3.613
   99    HG3  LYS  14           1HG      LYS  14   2.455   5.106  -4.486
  100    HD2  LYS  14           2HD      LYS  14  -0.028   3.884  -3.179
  101    HD3  LYS  14           1HD      LYS  14  -0.240   4.860  -4.661
  102    HE2  LYS  14           2HE      LYS  14   1.600   2.375  -4.526
  103    HE3  LYS  14           1HE      LYS  14  -0.089   2.407  -5.164
  104    HZ1  LYS  14           3HZ      LYS  14   0.604   4.015  -6.795
  105    HZ2  LYS  14           1HZ      LYS  14   1.539   2.601  -6.893
  106    HZ3  LYS  14           2HZ      LYS  14   2.194   4.004  -6.195
  107    H    VAL  15           H        VAL  15   2.928   3.044   0.299
  108    HA   VAL  15           HA       VAL  15   5.238   4.434   1.194
  109    HB   VAL  15           HB       VAL  15   3.264   2.566   2.600
  110   HG11  VAL  15          1HG1      VAL  15   4.147   3.646   4.721
  111   HG12  VAL  15          2HG1      VAL  15   5.467   4.411   3.762
  112   HG13  VAL  15          3HG1      VAL  15   5.375   2.613   3.919
  113   HG21  VAL  15          3HG2      VAL  15   3.513   5.650   2.473
  114   HG22  VAL  15          1HG2      VAL  15   2.318   4.730   3.457
  115   HG23  VAL  15          2HG2      VAL  15   2.239   4.668   1.665
  116    H    PHE  16           H        PHE  16   4.421   1.100   0.335
  117    HA   PHE  16           HA       PHE  16   6.509  -0.200   1.652
  118    HB2  PHE  16           2HB      PHE  16   4.299  -1.181   0.730
  119    HB3  PHE  16           1HB      PHE  16   4.999  -1.063  -0.916
  120    HD1  PHE  16           2HD      PHE  16   6.169  -2.310   2.494
  121    HD2  PHE  16           1HD      PHE  16   5.595  -3.170  -1.681
  122    HE1  PHE  16           2HE      PHE  16   7.023  -4.599   2.845
  123    HE2  PHE  16           1HE      PHE  16   6.442  -5.466  -1.321
  124    HZ   PHE  16           HZ       PHE  16   7.156  -6.185   0.944
  125    H    ASN  17           H        ASN  17   6.120   1.182  -1.632
  126    HA   ASN  17           HA       ASN  17   8.612   0.222  -2.620
  127    HB2  ASN  17           2HB      ASN  17   6.673   2.381  -3.671
  128    HB3  ASN  17           1HB      ASN  17   8.100   1.750  -4.583
  129   HD21  ASN  17          1HD2      ASN  17   5.670   1.599  -5.797
  130   HD22  ASN  17          2HD2      ASN  17   5.094  -0.034  -5.859
  131    H    HIS  18           H        HIS  18   7.434   3.167  -1.017
  132    HA   HIS  18           HA       HIS  18   9.594   4.832  -1.743
  133    HB2  HIS  18           2HB      HIS  18   7.350   5.689  -1.082
  134    HB3  HIS  18           1HB      HIS  18   7.574   5.041   0.574
  135    HD1  HIS  18           1HD      HIS  18   9.390   6.408   2.072
  136    HD2  HIS  18           2HD      HIS  18   8.563   8.130  -1.663
  137    HE1  HIS  18           1HE      HIS  18  10.283   8.802   2.085
  138    H    GLY  19           H        GLY  19   8.909   2.604   0.967
  139    HA2  GLY  19           2HA      GLY  19  11.098   3.455   2.568
  140    HA3  GLY  19           1HA      GLY  19  10.053   1.993   2.734
  141    H    GLU  20           H        GLU  20  10.725   1.346  -0.184
  142    HA   GLU  20           HA       GLU  20  12.098   0.354  -1.434
  143    HB2  GLU  20           2HB      GLU  20  13.841   2.063  -0.971
  144    HB3  GLU  20           1HB      GLU  20  14.462   1.050   0.366
  145    HG2  GLU  20           2HG      GLU  20  15.845   0.767  -1.669
  146    HG3  GLU  20           1HG      GLU  20  15.028  -0.781  -1.249
  147    H    HIS  21           H        HIS  21  10.781  -1.406  -0.824
  148    HA   HIS  21           HA       HIS  21  11.559  -3.153   1.254
  149    HB2  HIS  21           2HB      HIS  21   9.709  -4.556   0.515
  150    HB3  HIS  21           1HB      HIS  21   9.186  -2.845   0.624
  151    HD1  HIS  21           1HD      HIS  21   8.687  -1.641  -1.766
  152    HD2  HIS  21           2HD      HIS  21   9.865  -5.644  -2.015
  153    HE1  HIS  21           1HE      HIS  21   8.244  -2.435  -4.157
  154    H    ILE  22           H        ILE  22  12.006  -5.457   0.950
  155    HA   ILE  22           HA       ILE  22  13.675  -6.006  -1.393
  156    HB   ILE  22           HB       ILE  22  13.563  -7.415   1.314
  157   HG12  ILE  22          2HG1      ILE  22  15.691  -5.546   0.102
  158   HG13  ILE  22          1HG1      ILE  22  14.564  -5.126   1.436
  159   HG21  ILE  22          1HG2      ILE  22  14.092  -8.959  -0.615
  160   HG22  ILE  22          2HG2      ILE  22  15.535  -8.695   0.406
  161   HG23  ILE  22          3HG2      ILE  22  15.380  -7.824  -1.165
  162   HD11  ILE  22          3HD1      ILE  22  16.744  -5.682   2.390
  163   HD12  ILE  22          1HD1      ILE  22  16.777  -7.272   1.552
  164   HD13  ILE  22          2HD1      ILE  22  15.563  -6.963   2.851
  165    H    HIS  23           H        HIS  23  11.640  -7.646   0.899
  166    HA   HIS  23           HA       HIS  23   9.885  -8.907   0.856
  167    HB2  HIS  23           2HB      HIS  23   8.794  -7.303  -0.661
  168    HB3  HIS  23           1HB      HIS  23   9.415  -8.204  -2.083
  169    HD1  HIS  23           1HD      HIS  23   8.195 -10.500  -2.616
  170    HD2  HIS  23           2HD      HIS  23   6.626  -8.529   0.741
  171    HE1  HIS  23           1HE      HIS  23   5.991 -11.627  -1.986
  172    H    HIS  24           H        HIS  24   9.655 -11.081   0.919
  173    HA   HIS  24           HA       HIS  24  11.634 -12.625  -0.523
  174    HB2  HIS  24           2HB      HIS  24  11.277 -12.969   1.930
  175    HB3  HIS  24           1HB      HIS  24   9.588 -13.473   1.612
  176    HD1  HIS  24           1HD      HIS  24   9.427 -15.825   0.115
  177    HD2  HIS  24           2HD      HIS  24  13.197 -14.931   1.726
  178    HE1  HIS  24           1HE      HIS  24  10.845 -17.950   0.049
  179    HN1  NH2  25           1H       NH2  25   9.470 -13.876  -3.029
  180    HN2  NH2  25           2H       NH2  25  11.065 -13.408  -2.538
  Start of MODEL   13
    1    H1   ACE   1           1HY      ACE   1  -6.212   8.374 -11.256
    2    H2   ACE   1           2HY      ACE   1  -4.805   7.904 -10.226
    3    H3   ACE   1           3HY      ACE   1  -4.775   7.575 -12.001
    4    H    PHE   2           H        PHE   2  -6.984   6.942  -9.164
    5    HA   PHE   2           HA       PHE   2  -6.943   4.096  -9.756
    6    HB2  PHE   2           2HB      PHE   2  -8.241   5.658  -7.430
    7    HB3  PHE   2           1HB      PHE   2  -8.198   3.858  -7.589
    8    HD1  PHE   2           2HD      PHE   2  -5.963   2.680  -7.609
    9    HD2  PHE   2           1HD      PHE   2  -6.340   6.837  -6.583
   10    HE1  PHE   2           2HE      PHE   2  -3.744   2.615  -6.532
   11    HE2  PHE   2           1HE      PHE   2  -4.126   6.762  -5.480
   12    HZ   PHE   2           HZ       PHE   2  -2.825   4.649  -5.448
   13    H    GLU   3           H        GLU   3  -8.902   2.893 -10.048
   14    HA   GLU   3           HA       GLU   3 -11.047   4.469 -11.295
   15    HB2  GLU   3           2HB      GLU   3 -10.221   1.527 -11.645
   16    HB3  GLU   3           1HB      GLU   3 -11.630   2.325 -12.449
   17    HG2  GLU   3           2HG      GLU   3 -10.069   3.892 -13.627
   18    HG3  GLU   3           1HG      GLU   3  -8.662   3.116 -12.807
   19    H    ASP   4           H        ASP   4 -11.838   1.232 -10.640
   20    HA   ASP   4           HA       ASP   4 -13.367   1.921  -8.247
   21    HB2  ASP   4           2HB      ASP   4 -14.559  -0.296  -8.761
   22    HB3  ASP   4           1HB      ASP   4 -14.773   1.011  -9.965
   23    H    LEU   5           H        LEU   5 -10.406   1.545  -8.367
   24    HA   LEU   5           HA       LEU   5  -9.857  -1.067  -7.384
   25    HB2  LEU   5           2HB      LEU   5  -8.126   1.478  -7.555
   26    HB3  LEU   5           1HB      LEU   5  -7.490  -0.170  -7.228
   27    HG   LEU   5           HG       LEU   5  -8.900   0.719  -9.823
   28   HD11  LEU   5          1HD1      LEU   5  -6.721   1.849  -9.568
   29   HD12  LEU   5          2HD1      LEU   5  -6.648   0.612 -10.875
   30   HD13  LEU   5          3HD1      LEU   5  -5.904   0.269  -9.265
   31   HD21  LEU   5          3HD2      LEU   5  -9.218  -1.715  -9.462
   32   HD22  LEU   5          1HD2      LEU   5  -7.452  -1.923  -9.148
   33   HD23  LEU   5          2HD2      LEU   5  -8.033  -1.431 -10.782
   34    HA   PRO   6           HA       PRO   6  -9.809   0.347  -3.063
   35    HB2  PRO   6           2HB      PRO   6  -8.012  -1.421  -1.905
   36    HB3  PRO   6           1HB      PRO   6  -9.663  -1.917  -2.438
   37    HG2  PRO   6           2HG      PRO   6  -7.035  -2.264  -3.969
   38    HG3  PRO   6           1HG      PRO   6  -8.337  -3.489  -3.676
   39    HD2  PRO   6           2HD      PRO   6  -8.148  -1.992  -6.018
   40    HD3  PRO   6           1HD      PRO   6  -9.762  -2.486  -5.327
   41    H    ASN   7           H        ASN   7  -8.925   2.423  -3.545
   42    HA   ASN   7           HA       ASN   7  -6.226   2.840  -4.105
   43    HB2  ASN   7           2HB      ASN   7  -6.716   5.248  -3.818
   44    HB3  ASN   7           1HB      ASN   7  -7.959   4.430  -4.825
   45   HD21  ASN   7          1HD2      ASN   7  -7.481   6.550  -2.202
   46   HD22  ASN   7          2HD2      ASN   7  -9.076   6.515  -1.526
   47    H    PHE   8           H        PHE   8  -8.048   2.668  -1.191
   48    HA   PHE   8           HA       PHE   8  -5.971   3.652   0.551
   49    HB2  PHE   8           2HB      PHE   8  -8.609   2.165   1.194
   50    HB3  PHE   8           1HB      PHE   8  -7.529   2.939   2.420
   51    HD1  PHE   8           1HD      PHE   8  -6.919   5.482   1.916
   52    HD2  PHE   8           2HD      PHE   8 -10.402   3.450   0.423
   53    HE1  PHE   8           1HE      PHE   8  -8.077   7.651   1.658
   54    HE2  PHE   8           2HE      PHE   8 -11.559   5.621   0.171
   55    HZ   PHE   8           HZ       PHE   8 -10.400   7.725   0.791
   56    H    GLY   9           H        GLY   9  -6.500   0.722  -1.111
   57    HA2  GLY   9           2HA      GLY   9  -5.179  -0.945   0.883
   58    HA3  GLY   9           1HA      GLY   9  -5.833  -1.389  -0.743
   59    H    HIS  10           H        HIS  10  -4.700   0.818  -2.175
   60    HA   HIS  10           HA       HIS  10  -2.055  -0.243  -2.588
   61    HB2  HIS  10           2HB      HIS  10  -3.630   1.921  -4.094
   62    HB3  HIS  10           1HB      HIS  10  -2.062   1.207  -4.622
   63    HD1  HIS  10           1HD      HIS  10  -2.553  -1.794  -4.367
   64    HD2  HIS  10           2HD      HIS  10  -5.460   0.848  -5.843
   65    HE1  HIS  10           1HE      HIS  10  -4.170  -3.124  -5.833
   66    H    ILE  11           H        ILE  11  -3.290   2.109  -0.514
   67    HA   ILE  11           HA       ILE  11  -1.284   4.095  -0.971
   68    HB   ILE  11           HB       ILE  11  -3.692   4.411  -0.033
   69   HG12  ILE  11          2HG1      ILE  11  -2.925   6.335   1.447
   70   HG13  ILE  11          1HG1      ILE  11  -1.230   5.829   1.135
   71   HG21  ILE  11          1HG2      ILE  11  -2.290   3.822   2.649
   72   HG22  ILE  11          2HG2      ILE  11  -3.394   2.673   1.809
   73   HG23  ILE  11          3HG2      ILE  11  -4.005   4.277   2.359
   74   HD11  ILE  11          3HD1      ILE  11  -1.589   6.195  -1.336
   75   HD12  ILE  11          1HD1      ILE  11  -2.027   7.675  -0.409
   76   HD13  ILE  11          2HD1      ILE  11  -3.324   6.580  -1.023
   77    H    GLN  12           H        GLN  12  -1.628   1.109   0.763
   78    HA   GLN  12           HA       GLN  12   0.445   1.528   2.678
   79    HB2  GLN  12           2HB      GLN  12  -0.887  -1.046   1.630
   80    HB3  GLN  12           1HB      GLN  12   0.166  -0.927   3.088
   81    HG2  GLN  12           2HG      GLN  12  -1.512   0.557   4.197
   82    HG3  GLN  12           1HG      GLN  12  -2.556   0.517   2.728
   83   HE21  GLN  12          1HE2      GLN  12  -4.089  -1.092   2.630
   84   HE22  GLN  12          2HE2      GLN  12  -4.107  -2.540   3.581
   85    H    VAL  13           H        VAL  13   0.026   0.183  -0.584
   86    HA   VAL  13           HA       VAL  13   2.512  -1.100  -0.752
   87    HB   VAL  13           HB       VAL  13   0.617  -0.187  -2.973
   88   HG11  VAL  13          1HG1      VAL  13   2.895  -2.289  -2.922
   89   HG12  VAL  13          2HG1      VAL  13   2.861  -0.766  -3.891
   90   HG13  VAL  13          3HG1      VAL  13   1.704  -2.087  -4.260
   91   HG21  VAL  13          3HG2      VAL  13  -0.569  -1.628  -1.322
   92   HG22  VAL  13          1HG2      VAL  13   0.781  -2.825  -1.363
   93   HG23  VAL  13          2HG2      VAL  13  -0.243  -2.557  -2.822
   94    H    LYS  14           H        LYS  14   1.346   2.102  -1.368
   95    HA   LYS  14           HA       LYS  14   3.416   3.081  -2.933
   96    HB2  LYS  14           2HB      LYS  14   1.057   4.078  -2.468
   97    HB3  LYS  14           1HB      LYS  14   1.709   4.667  -0.911
   98    HG2  LYS  14           2HG      LYS  14   1.726   6.473  -2.511
   99    HG3  LYS  14           1HG      LYS  14   3.441   6.014  -2.233
  100    HD2  LYS  14           2HD      LYS  14   3.433   4.678  -4.346
  101    HD3  LYS  14           1HD      LYS  14   1.699   5.054  -4.596
  102    HE2  LYS  14           2HE      LYS  14   4.004   7.139  -4.543
  103    HE3  LYS  14           1HE      LYS  14   3.221   6.474  -6.033
  104    HZ1  LYS  14           3HZ      LYS  14   1.865   8.024  -3.891
  105    HZ2  LYS  14           1HZ      LYS  14   1.137   7.402  -5.294
  106    HZ3  LYS  14           2HZ      LYS  14   2.333   8.602  -5.418
  107    H    VAL  15           H        VAL  15   3.004   2.799   0.599
  108    HA   VAL  15           HA       VAL  15   5.259   4.387   1.283
  109    HB   VAL  15           HB       VAL  15   3.547   2.408   2.865
  110   HG11  VAL  15          1HG1      VAL  15   4.553   3.540   4.902
  111   HG12  VAL  15          2HG1      VAL  15   5.742   4.370   3.832
  112   HG13  VAL  15          3HG1      VAL  15   5.758   2.571   3.994
  113   HG21  VAL  15          3HG2      VAL  15   2.551   4.510   3.797
  114   HG22  VAL  15          1HG2      VAL  15   2.350   4.460   2.011
  115   HG23  VAL  15          2HG2      VAL  15   3.623   5.502   2.741
  116    H    PHE  16           H        PHE  16   4.648   0.937   0.565
  117    HA   PHE  16           HA       PHE  16   7.104   0.019   1.658
  118    HB2  PHE  16           2HB      PHE  16   5.315  -1.310  -0.469
  119    HB3  PHE  16           1HB      PHE  16   6.617  -2.125   0.481
  120    HD1  PHE  16           1HD      PHE  16   5.768  -0.684   3.255
  121    HD2  PHE  16           2HD      PHE  16   3.679  -2.880   0.189
  122    HE1  PHE  16           1HE      PHE  16   4.057  -1.342   4.883
  123    HE2  PHE  16           2HE      PHE  16   1.967  -3.536   1.841
  124    HZ   PHE  16           HZ       PHE  16   2.145  -2.761   4.190
  125    H    ASN  17           H        ASN  17   6.067   1.317  -1.477
  126    HA   ASN  17           HA       ASN  17   8.415   0.471  -2.888
  127    HB2  ASN  17           2HB      ASN  17   6.201   2.511  -3.574
  128    HB3  ASN  17           1HB      ASN  17   7.517   2.015  -4.708
  129   HD21  ASN  17          1HD2      ASN  17   4.789   1.716  -5.352
  130   HD22  ASN  17          2HD2      ASN  17   4.408   0.029  -5.459
  131    H    HIS  18           H        HIS  18   7.425   3.207  -0.896
  132    HA   HIS  18           HA       HIS  18   9.399   5.012  -1.902
  133    HB2  HIS  18           2HB      HIS  18   7.220   5.781  -0.890
  134    HB3  HIS  18           1HB      HIS  18   7.722   5.073   0.677
  135    HD1  HIS  18           1HD      HIS  18   7.590   7.486   1.753
  136    HD2  HIS  18           2HD      HIS  18  10.399   7.234  -1.356
  137    HE1  HIS  18           1HE      HIS  18   9.036   9.591   1.810
  138    H    GLY  19           H        GLY  19   9.043   2.665   0.773
  139    HA2  GLY  19           2HA      GLY  19  11.436   3.456   2.114
  140    HA3  GLY  19           1HA      GLY  19  10.363   2.035   2.411
  141    H    GLU  20           H        GLU  20  10.626   1.380  -0.574
  142    HA   GLU  20           HA       GLU  20  12.962  -0.277  -0.415
  143    HB2  GLU  20           2HB      GLU  20  10.861  -1.070  -1.495
  144    HB3  GLU  20           1HB      GLU  20  10.951   0.273  -2.680
  145    HG2  GLU  20           2HG      GLU  20  13.109  -0.697  -3.586
  146    HG3  GLU  20           1HG      GLU  20  12.999  -2.029  -2.374
  147    H    HIS  21           H        HIS  21  11.729   2.411  -2.469
  148    HA   HIS  21           HA       HIS  21  12.602   4.007  -3.562
  149    HB2  HIS  21           2HB      HIS  21  13.639   4.476  -1.301
  150    HB3  HIS  21           1HB      HIS  21  15.163   3.756  -1.903
  151    HD1  HIS  21           1HD      HIS  21  16.710   5.687  -2.546
  152    HD2  HIS  21           2HD      HIS  21  12.706   6.642  -3.363
  153    HE1  HIS  21           1HE      HIS  21  16.638   8.043  -3.533
  154    H    ILE  22           H        ILE  22  15.602   4.300  -4.180
  155    HA   ILE  22           HA       ILE  22  15.797   2.257  -6.270
  156    HB   ILE  22           HB       ILE  22  17.249   4.943  -6.029
  157   HG12  ILE  22          2HG1      ILE  22  16.063   5.235  -8.345
  158   HG13  ILE  22          1HG1      ILE  22  14.899   3.999  -7.764
  159   HG21  ILE  22          1HG2      ILE  22  18.692   3.155  -7.032
  160   HG22  ILE  22          2HG2      ILE  22  18.146   4.304  -8.297
  161   HG23  ILE  22          3HG2      ILE  22  17.355   2.691  -8.153
  162   HD11  ILE  22          3HD1      ILE  22  15.555   6.678  -6.341
  163   HD12  ILE  22          1HD1      ILE  22  14.255   5.521  -5.866
  164   HD13  ILE  22          2HD1      ILE  22  14.144   6.401  -7.427
  165    H    HIS  23           H        HIS  23  17.888   4.255  -4.319
  166    HA   HIS  23           HA       HIS  23  18.798   2.113  -2.706
  167    HB2  HIS  23           2HB      HIS  23  20.303   1.767  -4.694
  168    HB3  HIS  23           1HB      HIS  23  20.839   3.473  -4.597
  169    HD1  HIS  23           1HD      HIS  23  23.184   1.867  -4.435
  170    HD2  HIS  23           2HD      HIS  23  20.800   2.095  -0.986
  171    HE1  HIS  23           1HE      HIS  23  24.601   1.156  -2.432
  172    H    HIS  24           H        HIS  24  20.752   4.982  -3.506
  173    HA   HIS  24           HA       HIS  24  20.210   6.095  -0.915
  174    HB2  HIS  24           2HB      HIS  24  21.903   7.170  -3.245
  175    HB3  HIS  24           1HB      HIS  24  21.774   7.912  -1.612
  176    HD1  HIS  24           1HD      HIS  24  23.112   4.702  -3.260
  177    HD2  HIS  24           2HD      HIS  24  23.428   6.841   0.336
  178    HE1  HIS  24           1HE      HIS  24  24.964   3.637  -1.863
  179    HN1  NH2  25           1H       NH2  25  18.553   8.333  -4.043
  180    HN2  NH2  25           2H       NH2  25  19.889   7.274  -4.351
  Start of MODEL   14
    1    H1   ACE   1           1HY      ACE   1 -22.682  -1.640  -1.299
    2    H2   ACE   1           2HY      ACE   1 -22.816  -3.308  -0.620
    3    H3   ACE   1           3HY      ACE   1 -23.104  -1.876   0.441
    4    H    PHE   2           H        PHE   2 -20.524  -3.017  -1.876
    5    HA   PHE   2           HA       PHE   2 -18.518  -2.769   0.234
    6    HB2  PHE   2           2HB      PHE   2 -18.325  -3.965  -2.609
    7    HB3  PHE   2           1HB      PHE   2 -17.017  -4.004  -1.362
    8    HD1  PHE   2           2HD      PHE   2 -17.634  -5.059   0.942
    9    HD2  PHE   2           1HD      PHE   2 -19.862  -5.748  -2.670
   10    HE1  PHE   2           2HE      PHE   2 -18.568  -7.132   1.912
   11    HE2  PHE   2           1HE      PHE   2 -20.794  -7.823  -1.697
   12    HZ   PHE   2           HZ       PHE   2 -20.150  -8.518   0.597
   13    H    GLU   3           H        GLU   3 -16.317  -1.950  -0.643
   14    HA   GLU   3           HA       GLU   3 -16.739   0.642  -1.867
   15    HB2  GLU   3           2HB      GLU   3 -15.273   0.428   0.145
   16    HB3  GLU   3           1HB      GLU   3 -14.203  -0.699  -0.749
   17    HG2  GLU   3           2HG      GLU   3 -13.717   1.168  -2.420
   18    HG3  GLU   3           1HG      GLU   3 -14.760   2.270  -1.448
   19    H    ASP   4           H        ASP   4 -14.442  -2.085  -2.262
   20    HA   ASP   4           HA       ASP   4 -13.474  -3.059  -3.943
   21    HB2  ASP   4           2HB      ASP   4 -15.887  -3.554  -4.610
   22    HB3  ASP   4           1HB      ASP   4 -15.773  -2.203  -5.787
   23    H    LEU   5           H        LEU   5 -12.230  -0.880  -3.301
   24    HA   LEU   5           HA       LEU   5 -11.160   0.047  -5.799
   25    HB2  LEU   5           2HB      LEU   5 -13.066   1.661  -5.071
   26    HB3  LEU   5           1HB      LEU   5 -12.019   2.136  -3.697
   27    HG   LEU   5           HG       LEU   5 -11.235   2.331  -6.676
   28   HD11  LEU   5          1HD1      LEU   5 -11.834   4.743  -6.554
   29   HD12  LEU   5          2HD1      LEU   5 -12.429   4.523  -4.864
   30   HD13  LEU   5          3HD1      LEU   5 -13.264   3.694  -6.233
   31   HD21  LEU   5          3HD2      LEU   5  -9.990   3.658  -4.178
   32   HD22  LEU   5          1HD2      LEU   5  -9.579   4.072  -5.884
   33   HD23  LEU   5          2HD2      LEU   5  -9.220   2.433  -5.256
   34    HA   PRO   6           HA       PRO   6  -8.022  -0.489  -2.473
   35    HB2  PRO   6           2HB      PRO   6  -5.720  -0.421  -4.009
   36    HB3  PRO   6           1HB      PRO   6  -6.820  -1.848  -3.968
   37    HG2  PRO   6           2HG      PRO   6  -6.749   0.379  -6.068
   38    HG3  PRO   6           1HG      PRO   6  -6.782  -1.414  -6.330
   39    HD2  PRO   6           2HD      PRO   6  -9.065   0.194  -6.393
   40    HD3  PRO   6           1HD      PRO   6  -9.118  -1.527  -5.789
   41    H    ASN   7           H        ASN   7  -8.695   1.589  -1.564
   42    HA   ASN   7           HA       ASN   7  -7.416   3.968  -2.599
   43    HB2  ASN   7           2HB      ASN   7  -9.820   4.030  -1.819
   44    HB3  ASN   7           1HB      ASN   7  -9.284   3.569  -0.174
   45   HD21  ASN   7          1HD2      ASN   7  -8.870   5.291   1.207
   46   HD22  ASN   7          2HD2      ASN   7  -8.550   6.926   0.730
   47    H    PHE   8           H        PHE   8  -7.751   2.213   0.392
   48    HA   PHE   8           HA       PHE   8  -5.279   3.188   1.514
   49    HB2  PHE   8           2HB      PHE   8  -7.387   2.781   2.923
   50    HB3  PHE   8           1HB      PHE   8  -7.204   1.019   2.607
   51    HD1  PHE   8           1HD      PHE   8  -5.428   4.034   4.015
   52    HD2  PHE   8           2HD      PHE   8  -5.739  -0.254   4.001
   53    HE1  PHE   8           1HE      PHE   8  -3.826   3.910   5.896
   54    HE2  PHE   8           2HE      PHE   8  -4.139  -0.375   5.883
   55    HZ   PHE   8           HZ       PHE   8  -3.174   1.706   6.830
   56    H    GLY   9           H        GLY   9  -6.449   0.484  -0.395
   57    HA2  GLY   9           2HA      GLY   9  -4.427  -1.380   0.291
   58    HA3  GLY   9           1HA      GLY   9  -5.547  -1.375  -1.127
   59    H    HIS  10           H        HIS  10  -4.692   1.346  -1.969
   60    HA   HIS  10           HA       HIS  10  -2.318   0.647  -3.432
   61    HB2  HIS  10           2HB      HIS  10  -4.069   1.972  -4.573
   62    HB3  HIS  10           1HB      HIS  10  -3.991   3.222  -3.288
   63    HD1  HIS  10           1HD      HIS  10  -1.486   1.655  -5.813
   64    HD2  HIS  10           2HD      HIS  10  -2.337   5.314  -3.944
   65    HE1  HIS  10           1HE      HIS  10   0.169   3.397  -6.683
   66    H    ILE  11           H        ILE  11  -3.311   2.747  -0.696
   67    HA   ILE  11           HA       ILE  11  -0.963   4.243  -0.660
   68    HB   ILE  11           HB       ILE  11  -3.516   4.338   0.510
   69   HG12  ILE  11          2HG1      ILE  11  -2.742   6.626   1.283
   70   HG13  ILE  11          1HG1      ILE  11  -1.093   6.216   0.691
   71   HG21  ILE  11          1HG2      ILE  11  -3.179   4.861   2.874
   72   HG22  ILE  11          2HG2      ILE  11  -1.437   4.435   2.785
   73   HG23  ILE  11          3HG2      ILE  11  -2.702   3.161   2.552
   74   HD11  ILE  11          3HD1      ILE  11  -2.454   7.544  -0.984
   75   HD12  ILE  11          1HD1      ILE  11  -3.680   6.219  -1.018
   76   HD13  ILE  11          2HD1      ILE  11  -2.012   5.925  -1.639
   77    H    GLN  12           H        GLN  12  -1.757   1.142   0.757
   78    HA   GLN  12           HA       GLN  12   0.185   1.181   2.802
   79    HB2  GLN  12           2HB      GLN  12  -1.899  -0.215   2.771
   80    HB3  GLN  12           1HB      GLN  12  -1.232  -1.165   1.404
   81    HG2  GLN  12           2HG      GLN  12   0.667  -1.930   2.882
   82    HG3  GLN  12           1HG      GLN  12   0.001  -0.957   4.245
   83   HE21  GLN  12          1HE2      GLN  12  -2.492  -1.425   4.649
   84   HE22  GLN  12          2HE2      GLN  12  -2.951  -3.096   4.664
   85    H    VAL  13           H        VAL  13   0.033  -0.046  -0.559
   86    HA   VAL  13           HA       VAL  13   2.573  -1.297  -0.474
   87    HB   VAL  13           HB       VAL  13   0.693  -0.620  -2.793
   88   HG11  VAL  13          1HG1      VAL  13   2.973  -1.037  -3.699
   89   HG12  VAL  13          2HG1      VAL  13   1.945  -2.476  -3.999
   90   HG13  VAL  13          3HG1      VAL  13   3.151  -2.504  -2.658
   91   HG21  VAL  13          3HG2      VAL  13   1.080  -3.187  -1.106
   92   HG22  VAL  13          1HG2      VAL  13   0.029  -3.041  -2.563
   93   HG23  VAL  13          2HG2      VAL  13  -0.364  -2.109  -1.081
   94    H    LYS  14           H        LYS  14   1.399   1.883  -1.113
   95    HA   LYS  14           HA       LYS  14   3.452   2.765  -2.856
   96    HB2  LYS  14           2HB      LYS  14   1.290   3.768  -3.000
   97    HB3  LYS  14           1HB      LYS  14   1.211   4.076  -1.243
   98    HG2  LYS  14           2HG      LYS  14   3.373   5.499  -2.853
   99    HG3  LYS  14           1HG      LYS  14   1.658   5.998  -3.040
  100    HD2  LYS  14           2HD      LYS  14   1.421   6.315  -0.590
  101    HD3  LYS  14           1HD      LYS  14   3.124   5.836  -0.342
  102    HE2  LYS  14           2HE      LYS  14   2.946   8.303  -0.271
  103    HE3  LYS  14           1HE      LYS  14   3.891   7.811  -1.735
  104    HZ1  LYS  14           3HZ      LYS  14   2.288   9.514  -2.222
  105    HZ2  LYS  14           1HZ      LYS  14   1.009   8.546  -1.661
  106    HZ3  LYS  14           2HZ      LYS  14   1.886   8.079  -3.038
  107    H    VAL  15           H        VAL  15   2.944   2.695   0.679
  108    HA   VAL  15           HA       VAL  15   5.127   4.421   1.283
  109    HB   VAL  15           HB       VAL  15   3.397   2.518   2.918
  110   HG11  VAL  15          1HG1      VAL  15   5.672   4.382   3.893
  111   HG12  VAL  15          2HG1      VAL  15   5.593   2.586   4.081
  112   HG13  VAL  15          3HG1      VAL  15   4.426   3.629   4.955
  113   HG21  VAL  15          3HG2      VAL  15   3.644   5.604   2.796
  114   HG22  VAL  15          1HG2      VAL  15   2.462   4.664   3.781
  115   HG23  VAL  15          2HG2      VAL  15   2.356   4.651   1.984
  116    H    PHE  16           H        PHE  16   4.658   0.899   0.830
  117    HA   PHE  16           HA       PHE  16   7.170   0.164   1.922
  118    HB2  PHE  16           2HB      PHE  16   5.380  -1.333  -0.098
  119    HB3  PHE  16           1HB      PHE  16   6.761  -2.058   0.815
  120    HD1  PHE  16           2HD      PHE  16   5.898  -0.502   3.568
  121    HD2  PHE  16           1HD      PHE  16   3.932  -3.041   0.688
  122    HE1  PHE  16           2HE      PHE  16   4.340  -1.267   5.296
  123    HE2  PHE  16           1HE      PHE  16   2.385  -3.815   2.449
  124    HZ   PHE  16           HZ       PHE  16   2.579  -2.926   4.755
  125    H    ASN  17           H        ASN  17   6.014   1.149  -1.285
  126    HA   ASN  17           HA       ASN  17   8.348   0.264  -2.657
  127    HB2  ASN  17           2HB      ASN  17   5.930   0.393  -3.566
  128    HB3  ASN  17           1HB      ASN  17   6.132   2.178  -3.636
  129   HD21  ASN  17          1HD2      ASN  17   5.534   1.474  -5.967
  130   HD22  ASN  17          2HD2      ASN  17   6.841   1.149  -7.059
  131    H    HIS  18           H        HIS  18   7.272   3.165  -0.960
  132    HA   HIS  18           HA       HIS  18   9.176   4.932  -2.177
  133    HB2  HIS  18           2HB      HIS  18   6.970   5.731  -1.244
  134    HB3  HIS  18           1HB      HIS  18   7.543   5.277   0.394
  135    HD1  HIS  18           1HD      HIS  18   8.379   7.714  -2.477
  136    HD2  HIS  18           2HD      HIS  18   9.319   7.105   1.559
  137    HE1  HIS  18           1HE      HIS  18   9.715   9.736  -1.666
  138    H    GLY  19           H        GLY  19   9.038   2.664   0.537
  139    HA2  GLY  19           2HA      GLY  19  11.396   3.717   1.818
  140    HA3  GLY  19           1HA      GLY  19  10.426   2.247   2.211
  141    H    GLU  20           H        GLU  20  10.586   1.498  -0.755
  142    HA   GLU  20           HA       GLU  20  13.005  -0.045  -0.584
  143    HB2  GLU  20           2HB      GLU  20  10.877  -1.045  -1.413
  144    HB3  GLU  20           1HB      GLU  20  10.823   0.146  -2.747
  145    HG2  GLU  20           2HG      GLU  20  13.011  -0.829  -3.640
  146    HG3  GLU  20           1HG      GLU  20  12.976  -2.038  -2.302
  147    H    HIS  21           H        HIS  21  11.569   1.936  -3.267
  148    HA   HIS  21           HA       HIS  21  14.181   2.761  -4.087
  149    HB2  HIS  21           2HB      HIS  21  11.425   3.370  -5.307
  150    HB3  HIS  21           1HB      HIS  21  13.022   3.794  -6.023
  151    HD1  HIS  21           1HD      HIS  21  10.834   0.738  -5.268
  152    HD2  HIS  21           2HD      HIS  21  14.320   1.711  -7.391
  153    HE1  HIS  21           1HE      HIS  21  11.495  -1.286  -6.680
  154    H    ILE  22           H        ILE  22  15.043   4.592  -3.226
  155    HA   ILE  22           HA       ILE  22  13.225   6.639  -2.161
  156    HB   ILE  22           HB       ILE  22  16.080   6.109  -1.210
  157   HG12  ILE  22          2HG1      ILE  22  13.445   5.126   0.044
  158   HG13  ILE  22          1HG1      ILE  22  14.711   4.093  -0.704
  159   HG21  ILE  22          1HG2      ILE  22  15.079   8.445  -0.927
  160   HG22  ILE  22          2HG2      ILE  22  15.359   7.634   0.646
  161   HG23  ILE  22          3HG2      ILE  22  13.694   7.714  -0.040
  162   HD11  ILE  22          3HD1      ILE  22  16.364   4.871   1.036
  163   HD12  ILE  22          1HD1      ILE  22  14.945   3.996   1.722
  164   HD13  ILE  22          2HD1      ILE  22  15.038   5.788   1.850
  165    H    HIS  23           H        HIS  23  13.331   6.812  -4.621
  166    HA   HIS  23           HA       HIS  23  13.770   7.986  -6.364
  167    HB2  HIS  23           2HB      HIS  23  13.895   9.980  -4.899
  168    HB3  HIS  23           1HB      HIS  23  15.661   9.732  -4.705
  169    HD1  HIS  23           1HD      HIS  23  15.768  12.230  -5.781
  170    HD2  HIS  23           2HD      HIS  23  14.441   9.245  -8.418
  171    HE1  HIS  23           1HE      HIS  23  15.925  13.140  -8.163
  172    H    HIS  24           H        HIS  24  17.027   8.986  -5.929
  173    HA   HIS  24           HA       HIS  24  17.925   6.965  -7.775
  174    HB2  HIS  24           2HB      HIS  24  18.625   9.350  -8.056
  175    HB3  HIS  24           1HB      HIS  24  19.394   9.311  -6.437
  176    HD1  HIS  24           1HD      HIS  24  19.696   7.305  -9.746
  177    HD2  HIS  24           2HD      HIS  24  22.076   8.677  -6.575
  178    HE1  HIS  24           1HE      HIS  24  22.122   6.669 -10.240
  179    HN1  NH2  25           1H       NH2  25  19.517   4.783  -5.484
  180    HN2  NH2  25           2H       NH2  25  18.800   5.042  -7.040
  Start of MODEL   15
    1    H1   ACE   1           1HY      ACE   1 -21.746   4.852   3.965
    2    H2   ACE   1           2HY      ACE   1 -21.185   6.449   3.335
    3    H3   ACE   1           3HY      ACE   1 -22.145   5.347   2.275
    4    H    PHE   2           H        PHE   2 -19.226   5.104   4.384
    5    HA   PHE   2           HA       PHE   2 -17.244   4.477   4.196
    6    HB2  PHE   2           2HB      PHE   2 -16.628   2.228   3.358
    7    HB3  PHE   2           1HB      PHE   2 -18.066   2.278   4.418
    8    HD1  PHE   2           2HD      PHE   2 -17.029   2.073   0.801
    9    HD2  PHE   2           1HD      PHE   2 -20.125   1.395   3.705
   10    HE1  PHE   2           2HE      PHE   2 -18.343   0.851  -0.890
   11    HE2  PHE   2           1HE      PHE   2 -21.442   0.170   2.007
   12    HZ   PHE   2           HZ       PHE   2 -20.557  -0.102  -0.295
   13    H    GLU   3           H        GLU   3 -15.320   3.587   2.679
   14    HA   GLU   3           HA       GLU   3 -15.281   5.315   0.298
   15    HB2  GLU   3           2HB      GLU   3 -13.071   4.892   2.405
   16    HB3  GLU   3           1HB      GLU   3 -12.794   5.632   0.789
   17    HG2  GLU   3           2HG      GLU   3 -14.638   6.744   3.005
   18    HG3  GLU   3           1HG      GLU   3 -12.984   7.331   2.601
   19    H    ASP   4           H        ASP   4 -12.753   3.258   1.606
   20    HA   ASP   4           HA       ASP   4 -11.516   1.748   0.659
   21    HB2  ASP   4           2HB      ASP   4 -12.537  -0.527   0.299
   22    HB3  ASP   4           1HB      ASP   4 -12.725   0.258   1.897
   23    H    LEU   5           H        LEU   5 -11.108   3.341  -1.043
   24    HA   LEU   5           HA       LEU   5 -11.902   2.510  -3.707
   25    HB2  LEU   5           2HB      LEU   5 -10.198   4.782  -2.526
   26    HB3  LEU   5           1HB      LEU   5 -10.138   4.409  -4.278
   27    HG   LEU   5           HG       LEU   5 -12.526   4.847  -4.546
   28   HD11  LEU   5          1HD1      LEU   5 -13.815   6.112  -2.782
   29   HD12  LEU   5          2HD1      LEU   5 -12.528   5.711  -1.584
   30   HD13  LEU   5          3HD1      LEU   5 -13.505   4.398  -2.345
   31   HD21  LEU   5          3HD2      LEU   5 -10.825   6.613  -4.950
   32   HD22  LEU   5          1HD2      LEU   5 -10.958   7.159  -3.235
   33   HD23  LEU   5          2HD2      LEU   5 -12.369   7.325  -4.348
   34    HA   PRO   6           HA       PRO   6  -8.020   0.250  -3.940
   35    HB2  PRO   6           2HB      PRO   6  -7.335   0.333  -6.642
   36    HB3  PRO   6           1HB      PRO   6  -8.820  -0.506  -6.058
   37    HG2  PRO   6           2HG      PRO   6  -8.620   2.367  -7.122
   38    HG3  PRO   6           1HG      PRO   6  -9.733   1.047  -7.682
   39    HD2  PRO   6           2HD      PRO   6 -10.527   2.925  -5.826
   40    HD3  PRO   6           1HD      PRO   6 -11.041   1.184  -5.652
   41    H    ASN   7           H        ASN   7  -8.057   3.360  -3.616
   42    HA   ASN   7           HA       ASN   7  -5.264   3.906  -4.261
   43    HB2  ASN   7           2HB      ASN   7  -7.532   5.798  -3.336
   44    HB3  ASN   7           1HB      ASN   7  -5.843   6.311  -3.716
   45   HD21  ASN   7          1HD2      ASN   7  -5.075   5.526  -6.031
   46   HD22  ASN   7          2HD2      ASN   7  -6.210   5.758  -7.320
   47    H    PHE   8           H        PHE   8  -7.749   3.574  -1.879
   48    HA   PHE   8           HA       PHE   8  -6.003   4.079   0.389
   49    HB2  PHE   8           2HB      PHE   8  -8.960   3.193   0.290
   50    HB3  PHE   8           1HB      PHE   8  -8.056   3.667   1.783
   51    HD1  PHE   8           2HD      PHE   8  -6.589   6.096   1.048
   52    HD2  PHE   8           1HD      PHE   8 -10.550   4.840  -0.082
   53    HE1  PHE   8           2HE      PHE   8  -7.235   8.443   0.686
   54    HE2  PHE   8           1HE      PHE   8 -11.185   7.201  -0.441
   55    HZ   PHE   8           HZ       PHE   8  -9.530   9.006  -0.065
   56    H    GLY   9           H        GLY   9  -6.800   1.489  -1.695
   57    HA2  GLY   9           2HA      GLY   9  -6.313  -0.581   0.297
   58    HA3  GLY   9           1HA      GLY   9  -6.710  -0.739  -1.460
   59    H    HIS  10           H        HIS  10  -4.836   1.195  -2.413
   60    HA   HIS  10           HA       HIS  10  -2.451  -0.438  -2.398
   61    HB2  HIS  10           2HB      HIS  10  -3.618   0.363  -4.500
   62    HB3  HIS  10           1HB      HIS  10  -3.186   2.044  -4.067
   63    HD1  HIS  10           1HD      HIS  10  -0.704   2.716  -4.720
   64    HD2  HIS  10           2HD      HIS  10  -1.508  -1.357  -5.326
   65    HE1  HIS  10           1HE      HIS  10   1.213   1.722  -6.085
   66    H    ILE  11           H        ILE  11  -3.464   1.750  -0.222
   67    HA   ILE  11           HA       ILE  11  -1.651   3.840  -0.428
   68    HB   ILE  11           HB       ILE  11  -3.841   3.913   0.724
   69   HG12  ILE  11          2HG1      ILE  11  -3.169   5.299   2.681
   70   HG13  ILE  11          1HG1      ILE  11  -1.457   4.812   2.453
   71   HG21  ILE  11          1HG2      ILE  11  -3.638   1.678   1.903
   72   HG22  ILE  11          2HG2      ILE  11  -4.146   3.031   2.976
   73   HG23  ILE  11          3HG2      ILE  11  -2.457   2.422   3.045
   74   HD11  ILE  11          3HD1      ILE  11  -2.007   7.080   1.467
   75   HD12  ILE  11          1HD1      ILE  11  -3.184   6.293   0.349
   76   HD13  ILE  11          2HD1      ILE  11  -1.420   5.930   0.215
   77    H    GLN  12           H        GLN  12  -1.407   0.669   1.147
   78    HA   GLN  12           HA       GLN  12   0.874   1.357   2.710
   79    HB2  GLN  12           2HB      GLN  12  -0.828  -0.366   3.394
   80    HB3  GLN  12           1HB      GLN  12  -0.365  -1.365   1.985
   81    HG2  GLN  12           2HG      GLN  12   0.634  -2.218   4.095
   82    HG3  GLN  12           1HG      GLN  12   1.918  -1.715   2.944
   83   HE21  GLN  12          1HE2      GLN  12   3.536  -0.497   3.886
   84   HE22  GLN  12          2HE2      GLN  12   3.375   0.520   5.279
   85    H    VAL  13           H        VAL  13   0.236   0.153  -0.542
   86    HA   VAL  13           HA       VAL  13   2.727  -1.110  -0.918
   87    HB   VAL  13           HB       VAL  13   0.768  -0.106  -3.042
   88   HG11  VAL  13          1HG1      VAL  13   1.776  -2.019  -4.379
   89   HG12  VAL  13          2HG1      VAL  13   2.981  -2.279  -3.065
   90   HG13  VAL  13          3HG1      VAL  13   2.980  -0.741  -4.010
   91   HG21  VAL  13          3HG2      VAL  13  -0.464  -1.538  -1.430
   92   HG22  VAL  13          1HG2      VAL  13   0.856  -2.771  -1.476
   93   HG23  VAL  13          2HG2      VAL  13  -0.153  -2.458  -2.936
   94    H    LYS  14           H        LYS  14   1.530   2.117  -1.218
   95    HA   LYS  14           HA       LYS  14   3.556   3.191  -2.894
   96    HB2  LYS  14           2HB      LYS  14   1.687   4.524  -0.855
   97    HB3  LYS  14           1HB      LYS  14   2.746   5.436  -1.988
   98    HG2  LYS  14           2HG      LYS  14   1.528   4.620  -3.931
   99    HG3  LYS  14           1HG      LYS  14   0.639   3.421  -2.944
  100    HD2  LYS  14           2HD      LYS  14  -0.387   5.325  -1.621
  101    HD3  LYS  14           1HD      LYS  14   0.332   6.474  -2.805
  102    HE2  LYS  14           2HE      LYS  14  -0.993   5.385  -4.656
  103    HE3  LYS  14           1HE      LYS  14  -1.659   4.185  -3.474
  104    HZ1  LYS  14           3HZ      LYS  14  -2.043   7.130  -3.377
  105    HZ2  LYS  14           1HZ      LYS  14  -2.661   6.000  -2.271
  106    HZ3  LYS  14           2HZ      LYS  14  -3.179   5.975  -3.888
  107    H    VAL  15           H        VAL  15   3.092   2.888   0.657
  108    HA   VAL  15           HA       VAL  15   5.373   4.390   1.373
  109    HB   VAL  15           HB       VAL  15   3.721   2.327   2.922
  110   HG11  VAL  15          1HG1      VAL  15   5.791   4.418   3.894
  111   HG12  VAL  15          2HG1      VAL  15   5.933   2.622   4.034
  112   HG13  VAL  15          3HG1      VAL  15   4.670   3.496   4.962
  113   HG21  VAL  15          3HG2      VAL  15   2.622   4.374   3.881
  114   HG22  VAL  15          1HG2      VAL  15   2.374   4.279   2.106
  115   HG23  VAL  15          2HG2      VAL  15   3.596   5.417   2.780
  116    H    PHE  16           H        PHE  16   4.702   0.969   0.667
  117    HA   PHE  16           HA       PHE  16   7.107  -0.073   1.686
  118    HB2  PHE  16           2HB      PHE  16   4.849  -1.285   1.277
  119    HB3  PHE  16           1HB      PHE  16   5.252  -1.293  -0.472
  120    HD1  PHE  16           2HD      PHE  16   6.359  -2.418   2.932
  121    HD2  PHE  16           1HD      PHE  16   6.748  -2.985  -1.312
  122    HE1  PHE  16           2HE      PHE  16   7.550  -4.550   3.323
  123    HE2  PHE  16           1HE      PHE  16   7.951  -5.111  -0.916
  124    HZ   PHE  16           HZ       PHE  16   8.345  -5.903   1.403
  125    H    ASN  17           H        ASN  17   6.156   1.449  -1.362
  126    HA   ASN  17           HA       ASN  17   8.319   0.373  -2.885
  127    HB2  ASN  17           2HB      ASN  17   5.991   1.042  -3.794
  128    HB3  ASN  17           1HB      ASN  17   6.464   2.756  -3.555
  129   HD21  ASN  17          1HD2      ASN  17   7.113  -0.279  -5.345
  130   HD22  ASN  17          2HD2      ASN  17   8.019   0.419  -6.649
  131    H    HIS  18           H        HIS  18   7.481   3.440  -1.213
  132    HA   HIS  18           HA       HIS  18   9.644   4.925  -2.233
  133    HB2  HIS  18           2HB      HIS  18   7.879   5.385   0.241
  134    HB3  HIS  18           1HB      HIS  18   8.990   6.610  -0.477
  135    HD1  HIS  18           1HD      HIS  18   6.079   7.383  -0.292
  136    HD2  HIS  18           2HD      HIS  18   7.596   5.371  -3.651
  137    HE1  HIS  18           1HE      HIS  18   4.522   7.835  -2.267
  138    H    GLY  19           H        GLY  19   9.085   3.036   0.765
  139    HA2  GLY  19           2HA      GLY  19  11.562   3.810   1.968
  140    HA3  GLY  19           1HA      GLY  19  10.385   2.535   2.469
  141    H    GLU  20           H        GLU  20  10.357   1.285  -0.183
  142    HA   GLU  20           HA       GLU  20  11.249  -0.174  -1.401
  143    HB2  GLU  20           2HB      GLU  20  13.009   1.484  -1.974
  144    HB3  GLU  20           1HB      GLU  20  14.049   0.805  -0.685
  145    HG2  GLU  20           2HG      GLU  20  14.701  -0.066  -2.918
  146    HG3  GLU  20           1HG      GLU  20  14.111  -1.404  -1.870
  147    H    HIS  21           H        HIS  21  10.205  -1.509   0.132
  148    HA   HIS  21           HA       HIS  21   9.907  -3.202   1.287
  149    HB2  HIS  21           2HB      HIS  21  11.280  -5.204   1.074
  150    HB3  HIS  21           1HB      HIS  21  11.076  -4.323  -0.469
  151    HD1  HIS  21           1HD      HIS  21  13.209  -4.332  -1.780
  152    HD2  HIS  21           2HD      HIS  21  14.024  -4.194   2.335
  153    HE1  HIS  21           1HE      HIS  21  15.745  -4.310  -1.467
  154    H    ILE  22           H        ILE  22  10.637  -4.804   3.045
  155    HA   ILE  22           HA       ILE  22  11.952  -3.267   5.175
  156    HB   ILE  22           HB       ILE  22  10.741  -4.561   6.828
  157   HG12  ILE  22          2HG1      ILE  22   9.104  -5.784   4.508
  158   HG13  ILE  22          1HG1      ILE  22  10.348  -6.658   5.468
  159   HG21  ILE  22          1HG2      ILE  22   8.589  -3.376   6.536
  160   HG22  ILE  22          2HG2      ILE  22   8.890  -3.179   4.772
  161   HG23  ILE  22          3HG2      ILE  22   9.945  -2.341   5.970
  162   HD11  ILE  22          3HD1      ILE  22   8.114  -7.195   6.324
  163   HD12  ILE  22          1HD1      ILE  22   7.725  -5.454   6.561
  164   HD13  ILE  22          2HD1      ILE  22   9.009  -6.237   7.560
  165    H    HIS  23           H        HIS  23  12.041  -6.050   3.152
  166    HA   HIS  23           HA       HIS  23  14.535  -6.811   4.269
  167    HB2  HIS  23           2HB      HIS  23  12.936  -8.213   5.650
  168    HB3  HIS  23           1HB      HIS  23  12.206  -8.847   4.138
  169    HD1  HIS  23           1HD      HIS  23  13.645 -10.691   2.867
  170    HD2  HIS  23           2HD      HIS  23  15.509  -9.243   6.337
  171    HE1  HIS  23           1HE      HIS  23  15.621 -12.216   3.403
  172    H    HIS  24           H        HIS  24  15.807  -7.751   2.626
  173    HA   HIS  24           HA       HIS  24  14.796  -7.221  -0.002
  174    HB2  HIS  24           2HB      HIS  24  17.125  -6.583   0.670
  175    HB3  HIS  24           1HB      HIS  24  17.518  -8.317   0.905
  176    HD1  HIS  24           1HD      HIS  24  16.129  -6.112  -1.970
  177    HD2  HIS  24           2HD      HIS  24  18.631  -9.427  -1.371
  178    HE1  HIS  24           1HE      HIS  24  17.075  -6.815  -4.239
  179    HN1  NH2  25           1H       NH2  25  13.925 -10.487  -1.044
  180    HN2  NH2  25           2H       NH2  25  13.706  -8.772  -1.176
  Start of MODEL   16
    1    H1   ACE   1           1HY      ACE   1 -14.552  -4.745   6.646
    2    H2   ACE   1           2HY      ACE   1 -13.364  -5.948   6.008
    3    H3   ACE   1           3HY      ACE   1 -13.841  -4.530   4.997
    4    H    PHE   2           H        PHE   2 -16.485  -4.392   4.935
    5    HA   PHE   2           HA       PHE   2 -17.738  -6.949   4.571
    6    HB2  PHE   2           2HB      PHE   2 -19.753  -5.637   3.847
    7    HB3  PHE   2           1HB      PHE   2 -19.158  -5.205   5.484
    8    HD1  PHE   2           1HD      PHE   2 -17.871  -3.065   5.836
    9    HD2  PHE   2           2HD      PHE   2 -19.817  -3.973   2.111
   10    HE1  PHE   2           1HE      PHE   2 -17.741  -0.684   5.185
   11    HE2  PHE   2           2HE      PHE   2 -19.684  -1.591   1.463
   12    HZ   PHE   2           HZ       PHE   2 -18.641   0.058   2.996
   13    H    GLU   3           H        GLU   3 -16.605  -4.203   2.557
   14    HA   GLU   3           HA       GLU   3 -16.879  -5.754   0.118
   15    HB2  GLU   3           2HB      GLU   3 -17.479  -3.334   0.122
   16    HB3  GLU   3           1HB      GLU   3 -15.821  -2.911   0.656
   17    HG2  GLU   3           2HG      GLU   3 -14.892  -3.844  -1.495
   18    HG3  GLU   3           1HG      GLU   3 -16.556  -4.322  -2.002
   19    H    ASP   4           H        ASP   4 -14.393  -3.971   1.993
   20    HA   ASP   4           HA       ASP   4 -12.281  -4.241   2.398
   21    HB2  ASP   4           2HB      ASP   4 -13.008  -6.574   3.145
   22    HB3  ASP   4           1HB      ASP   4 -12.430  -7.189   1.564
   23    H    LEU   5           H        LEU   5 -12.420  -2.767   0.454
   24    HA   LEU   5           HA       LEU   5 -11.248  -3.871  -1.937
   25    HB2  LEU   5           2HB      LEU   5 -11.615  -1.696  -2.976
   26    HB3  LEU   5           1HB      LEU   5 -13.139  -2.315  -2.258
   27    HG   LEU   5           HG       LEU   5 -11.320  -0.151  -1.033
   28   HD11  LEU   5          1HD1      LEU   5 -13.944   0.151  -2.618
   29   HD12  LEU   5          2HD1      LEU   5 -12.287   0.568  -3.199
   30   HD13  LEU   5          3HD1      LEU   5 -13.015   1.479  -1.824
   31   HD21  LEU   5          3HD2      LEU   5 -12.653  -1.140   0.783
   32   HD22  LEU   5          1HD2      LEU   5 -14.157  -1.042  -0.210
   33   HD23  LEU   5          2HD2      LEU   5 -13.340   0.460   0.356
   34    HA   PRO   6           HA       PRO   6  -7.341  -1.969  -0.654
   35    HB2  PRO   6           2HB      PRO   6  -5.886  -2.045  -2.985
   36    HB3  PRO   6           1HB      PRO   6  -6.388  -3.549  -2.133
   37    HG2  PRO   6           2HG      PRO   6  -7.793  -2.226  -4.515
   38    HG3  PRO   6           1HG      PRO   6  -7.296  -3.959  -4.327
   39    HD2  PRO   6           2HD      PRO   6  -9.864  -3.014  -3.731
   40    HD3  PRO   6           1HD      PRO   6  -9.101  -4.397  -2.818
   41    H    ASN   7           H        ASN   7  -8.963   0.019  -0.408
   42    HA   ASN   7           HA       ASN   7  -8.437   2.102  -2.336
   43    HB2  ASN   7           2HB      ASN   7 -10.668   1.992  -1.173
   44    HB3  ASN   7           1HB      ASN   7  -9.853   2.221   0.404
   45   HD21  ASN   7          1HD2      ASN   7  -9.662   4.354   1.088
   46   HD22  ASN   7          2HD2      ASN   7  -9.820   5.760   0.088
   47    H    PHE   8           H        PHE   8  -7.964   1.558   1.077
   48    HA   PHE   8           HA       PHE   8  -5.673   3.308   1.241
   49    HB2  PHE   8           2HB      PHE   8  -7.416   3.130   3.113
   50    HB3  PHE   8           1HB      PHE   8  -6.850   1.447   3.415
   51    HD1  PHE   8           1HD      PHE   8  -5.506   4.977   3.038
   52    HD2  PHE   8           2HD      PHE   8  -5.143   1.178   5.021
   53    HE1  PHE   8           1HE      PHE   8  -3.694   5.885   4.453
   54    HE2  PHE   8           2HE      PHE   8  -3.331   2.092   6.435
   55    HZ   PHE   8           HZ       PHE   8  -2.601   4.446   6.152
   56    H    GLY   9           H        GLY   9  -6.354  -0.005   0.493
   57    HA2  GLY   9           2HA      GLY   9  -3.853  -1.091   1.365
   58    HA3  GLY   9           1HA      GLY   9  -5.144  -1.838   0.355
   59    H    HIS  10           H        HIS  10  -4.881   0.841  -1.322
   60    HA   HIS  10           HA       HIS  10  -2.789  -0.114  -3.104
   61    HB2  HIS  10           2HB      HIS  10  -4.965   0.591  -4.092
   62    HB3  HIS  10           1HB      HIS  10  -4.808   2.201  -3.315
   63    HD1  HIS  10           1HD      HIS  10  -2.548   0.101  -5.687
   64    HD2  HIS  10           2HD      HIS  10  -3.931   4.028  -5.157
   65    HE1  HIS  10           1HE      HIS  10  -1.581   1.545  -7.559
   66    H    ILE  11           H        ILE  11  -3.552   2.450  -0.766
   67    HA   ILE  11           HA       ILE  11  -1.327   4.106  -1.412
   68    HB   ILE  11           HB       ILE  11  -3.575   4.068   0.559
   69   HG12  ILE  11          2HG1      ILE  11  -3.627   6.512  -0.058
   70   HG13  ILE  11          1HG1      ILE  11  -2.188   6.271  -1.105
   71   HG21  ILE  11          1HG2      ILE  11  -1.729   4.329   2.180
   72   HG22  ILE  11          2HG2      ILE  11  -2.576   5.890   1.950
   73   HG23  ILE  11          3HG2      ILE  11  -0.979   5.626   1.164
   74   HD11  ILE  11          3HD1      ILE  11  -3.533   4.734  -2.587
   75   HD12  ILE  11          1HD1      ILE  11  -4.312   6.346  -2.420
   76   HD13  ILE  11          2HD1      ILE  11  -4.953   4.945  -1.492
   77    H    GLN  12           H        GLN  12  -1.889   1.251   0.546
   78    HA   GLN  12           HA       GLN  12   0.281   1.469   2.289
   79    HB2  GLN  12           2HB      GLN  12  -1.735  -0.025   2.529
   80    HB3  GLN  12           1HB      GLN  12  -1.119  -1.035   1.181
   81    HG2  GLN  12           2HG      GLN  12   0.923  -1.607   2.560
   82    HG3  GLN  12           1HG      GLN  12   0.307  -0.565   3.896
   83   HE21  GLN  12          1HE2      GLN  12  -2.094  -1.107   4.558
   84   HE22  GLN  12          2HE2      GLN  12  -2.486  -2.789   4.705
   85    H    VAL  13           H        VAL  13  -0.027   0.399  -1.088
   86    HA   VAL  13           HA       VAL  13   2.417  -0.992  -1.207
   87    HB   VAL  13           HB       VAL  13   0.783   0.228  -3.494
   88   HG11  VAL  13          1HG1      VAL  13   1.887  -1.626  -4.833
   89   HG12  VAL  13          2HG1      VAL  13   2.911  -2.029  -3.408
   90   HG13  VAL  13          3HG1      VAL  13   3.080  -0.432  -4.229
   91   HG21  VAL  13          3HG2      VAL  13  -0.657  -1.238  -2.142
   92   HG22  VAL  13          1HG2      VAL  13   0.603  -2.532  -2.113
   93   HG23  VAL  13          2HG2      VAL  13  -0.214  -2.086  -3.658
   94    H    LYS  14           H        LYS  14   1.443   2.312  -1.569
   95    HA   LYS  14           HA       LYS  14   3.725   3.226  -3.000
   96    HB2  LYS  14           2HB      LYS  14   1.736   4.848  -1.311
   97    HB3  LYS  14           1HB      LYS  14   2.895   5.515  -2.515
   98    HG2  LYS  14           2HG      LYS  14   1.715   4.280  -4.340
   99    HG3  LYS  14           1HG      LYS  14   0.586   3.571  -3.136
  100    HD2  LYS  14           2HD      LYS  14  -0.159   5.890  -2.494
  101    HD3  LYS  14           1HD      LYS  14   0.866   6.556  -3.817
  102    HE2  LYS  14           2HE      LYS  14  -0.470   5.236  -5.507
  103    HE3  LYS  14           1HE      LYS  14  -1.474   4.548  -4.166
  104    HZ1  LYS  14           3HZ      LYS  14  -1.244   7.425  -4.873
  105    HZ2  LYS  14           1HZ      LYS  14  -2.191   6.768  -3.626
  106    HZ3  LYS  14           2HZ      LYS  14  -2.539   6.392  -5.244
  107    H    VAL  15           H        VAL  15   2.839   2.945   0.442
  108    HA   VAL  15           HA       VAL  15   4.997   4.503   1.435
  109    HB   VAL  15           HB       VAL  15   3.135   2.460   2.752
  110   HG11  VAL  15          1HG1      VAL  15   3.898   3.541   4.920
  111   HG12  VAL  15          2HG1      VAL  15   5.175   4.428   4.009
  112   HG13  VAL  15          3HG1      VAL  15   5.215   2.625   4.116
  113   HG21  VAL  15          3HG2      VAL  15   3.169   5.557   2.718
  114   HG22  VAL  15          1HG2      VAL  15   2.011   4.523   3.633
  115   HG23  VAL  15          2HG2      VAL  15   1.995   4.516   1.837
  116    H    PHE  16           H        PHE  16   4.390   1.056   0.695
  117    HA   PHE  16           HA       PHE  16   6.729   0.058   1.888
  118    HB2  PHE  16           2HB      PHE  16   4.674  -1.333   1.322
  119    HB3  PHE  16           1HB      PHE  16   5.055  -1.136  -0.425
  120    HD1  PHE  16           2HD      PHE  16   6.427  -2.417   2.842
  121    HD2  PHE  16           1HD      PHE  16   6.647  -2.597  -1.448
  122    HE1  PHE  16           2HE      PHE  16   7.976  -4.341   2.999
  123    HE2  PHE  16           1HE      PHE  16   8.196  -4.522  -1.284
  124    HZ   PHE  16           HZ       PHE  16   8.866  -5.393   0.937
  125    H    ASN  17           H        ASN  17   5.913   1.332  -1.361
  126    HA   ASN  17           HA       ASN  17   8.256   0.419  -2.612
  127    HB2  ASN  17           2HB      ASN  17   5.977   0.988  -3.705
  128    HB3  ASN  17           1HB      ASN  17   6.419   2.721  -3.538
  129   HD21  ASN  17          1HD2      ASN  17   7.432  -0.455  -4.930
  130   HD22  ASN  17          2HD2      ASN  17   8.335   0.177  -6.271
  131    H    HIS  18           H        HIS  18   7.531   3.204  -0.596
  132    HA   HIS  18           HA       HIS  18   9.438   4.970  -1.677
  133    HB2  HIS  18           2HB      HIS  18   7.468   5.653  -0.282
  134    HB3  HIS  18           1HB      HIS  18   8.221   4.890   1.151
  135    HD1  HIS  18           1HD      HIS  18  10.549   6.151   1.969
  136    HD2  HIS  18           2HD      HIS  18   8.281   8.219  -0.891
  137    HE1  HIS  18           1HE      HIS  18  11.342   8.580   1.931
  138    H    GLY  19           H        GLY  19   9.485   2.648   1.106
  139    HA2  GLY  19           2HA      GLY  19  12.243   3.337   1.677
  140    HA3  GLY  19           1HA      GLY  19  11.110   2.272   2.579
  141    H    GLU  20           H        GLU  20  10.614   1.021  -0.349
  142    HA   GLU  20           HA       GLU  20  12.895  -0.692  -0.522
  143    HB2  GLU  20           2HB      GLU  20  10.169  -1.768   0.477
  144    HB3  GLU  20           1HB      GLU  20  11.495  -2.787  -0.193
  145    HG2  GLU  20           2HG      GLU  20  12.984  -2.105   1.708
  146    HG3  GLU  20           1HG      GLU  20  11.649  -1.098   2.386
  147    H    HIS  21           H        HIS  21  12.556   0.693  -2.433
  148    HA   HIS  21           HA       HIS  21  10.411   0.489  -4.147
  149    HB2  HIS  21           2HB      HIS  21  13.361   0.860  -4.928
  150    HB3  HIS  21           1HB      HIS  21  11.950   1.155  -6.004
  151    HD1  HIS  21           1HD      HIS  21  13.445   2.592  -2.750
  152    HD2  HIS  21           2HD      HIS  21  10.867   3.661  -5.883
  153    HE1  HIS  21           1HE      HIS  21  12.885   5.073  -2.508
  154    H    ILE  22           H        ILE  22   9.558  -1.096  -5.307
  155    HA   ILE  22           HA       ILE  22  11.202  -3.395  -6.087
  156    HB   ILE  22           HB       ILE  22   8.163  -3.251  -5.796
  157   HG12  ILE  22          2HG1      ILE  22   9.096  -3.074  -3.569
  158   HG13  ILE  22          1HG1      ILE  22   8.368  -4.687  -3.842
  159   HG21  ILE  22          1HG2      ILE  22  10.123  -5.580  -6.382
  160   HG22  ILE  22          2HG2      ILE  22   8.937  -4.866  -7.534
  161   HG23  ILE  22          3HG2      ILE  22   8.352  -5.749  -6.083
  162   HD11  ILE  22          3HD1      ILE  22  11.402  -4.069  -3.837
  163   HD12  ILE  22          1HD1      ILE  22  10.662  -5.687  -4.131
  164   HD13  ILE  22          2HD1      ILE  22  10.464  -4.877  -2.536
  165    H    HIS  23           H        HIS  23   8.165  -2.049  -7.136
  166    HA   HIS  23           HA       HIS  23   9.203  -0.870  -9.504
  167    HB2  HIS  23           2HB      HIS  23   8.991  -3.230 -10.323
  168    HB3  HIS  23           1HB      HIS  23   7.322  -3.323  -9.676
  169    HD1  HIS  23           1HD      HIS  23   6.695  -3.930 -12.245
  170    HD2  HIS  23           2HD      HIS  23   8.066  -0.003 -11.678
  171    HE1  HIS  23           1HE      HIS  23   6.091  -2.566 -14.318
  172    H    HIS  24           H        HIS  24   5.984  -2.293  -8.745
  173    HA   HIS  24           HA       HIS  24   4.776   0.317  -8.810
  174    HB2  HIS  24           2HB      HIS  24   3.587  -1.611  -9.827
  175    HB3  HIS  24           1HB      HIS  24   3.638  -2.485  -8.259
  176    HD1  HIS  24           1HD      HIS  24   2.331   1.008  -9.363
  177    HD2  HIS  24           2HD      HIS  24   1.234  -2.258  -6.968
  178    HE1  HIS  24           1HE      HIS  24   0.067   1.530  -8.296
  179    HN1  NH2  25           1H       NH2  25   4.324   1.537  -6.977
  180    HN2  NH2  25           2H       NH2  25   4.470   0.981  -5.342
  Start of MODEL   17
    1    H1   ACE   1           1HY      ACE   1 -20.568   1.096   3.451
    2    H2   ACE   1           2HY      ACE   1 -19.289   0.733   2.223
    3    H3   ACE   1           3HY      ACE   1 -20.082  -0.609   3.123
    4    H    PHE   2           H        PHE   2 -17.329   1.765   5.192
    5    HA   PHE   2           HA       PHE   2 -19.279   2.980   3.449
    6    HB2  PHE   2           2HB      PHE   2 -18.186   5.128   4.040
    7    HB3  PHE   2           1HB      PHE   2 -18.780   4.218   5.468
    8    HD1  PHE   2           1HD      PHE   2 -17.132   2.962   6.929
    9    HD2  PHE   2           2HD      PHE   2 -15.869   5.684   3.851
   10    HE1  PHE   2           1HE      PHE   2 -14.895   3.107   7.972
   11    HE2  PHE   2           2HE      PHE   2 -13.634   5.828   4.896
   12    HZ   PHE   2           HZ       PHE   2 -13.139   4.535   6.955
   13    H    GLU   3           H        GLU   3 -15.768   2.216   3.570
   14    HA   GLU   3           HA       GLU   3 -15.643   2.608   0.667
   15    HB2  GLU   3           2HB      GLU   3 -14.551   4.488   2.080
   16    HB3  GLU   3           1HB      GLU   3 -13.350   3.285   2.616
   17    HG2  GLU   3           2HG      GLU   3 -13.962   4.104  -0.321
   18    HG3  GLU   3           1HG      GLU   3 -12.647   4.808   0.689
   19    H    ASP   4           H        ASP   4 -15.699   0.499   0.063
   20    HA   ASP   4           HA       ASP   4 -14.879  -1.506   1.931
   21    HB2  ASP   4           2HB      ASP   4 -16.180  -1.712  -0.857
   22    HB3  ASP   4           1HB      ASP   4 -15.965  -3.094   0.283
   23    H    LEU   5           H        LEU   5 -13.856  -0.246  -1.133
   24    HA   LEU   5           HA       LEU   5 -12.295  -2.483  -1.890
   25    HB2  LEU   5           2HB      LEU   5 -12.180   0.416  -2.922
   26    HB3  LEU   5           1HB      LEU   5 -11.460  -1.004  -3.753
   27    HG   LEU   5           HG       LEU   5 -14.462  -0.555  -3.226
   28   HD11  LEU   5          1HD1      LEU   5 -14.633  -0.107  -5.661
   29   HD12  LEU   5          2HD1      LEU   5 -12.845  -0.277  -5.834
   30   HD13  LEU   5          3HD1      LEU   5 -13.533   1.074  -4.855
   31   HD21  LEU   5          3HD2      LEU   5 -13.040  -2.754  -4.864
   32   HD22  LEU   5          1HD2      LEU   5 -14.817  -2.451  -4.832
   33   HD23  LEU   5          2HD2      LEU   5 -13.976  -2.987  -3.337
   34    HA   PRO   6           HA       PRO   6  -8.554  -1.170   0.188
   35    HB2  PRO   6           2HB      PRO   6  -6.530  -2.318  -1.321
   36    HB3  PRO   6           1HB      PRO   6  -7.692  -3.279  -0.335
   37    HG2  PRO   6           2HG      PRO   6  -7.867  -2.679  -3.336
   38    HG3  PRO   6           1HG      PRO   6  -8.013  -4.283  -2.503
   39    HD2  PRO   6           2HD      PRO   6 -10.227  -2.777  -3.216
   40    HD3  PRO   6           1HD      PRO   6 -10.205  -3.736  -1.664
   41    H    ASN   7           H        ASN   7  -9.040   1.126  -0.290
   42    HA   ASN   7           HA       ASN   7  -7.370   2.313  -2.351
   43    HB2  ASN   7           2HB      ASN   7  -9.747   3.205  -1.964
   44    HB3  ASN   7           1HB      ASN   7  -9.259   3.636  -0.291
   45   HD21  ASN   7          1HD2      ASN   7  -8.118   4.085  -3.738
   46   HD22  ASN   7          2HD2      ASN   7  -7.645   5.743  -3.557
   47    H    PHE   8           H        PHE   8  -7.807   1.682   1.012
   48    HA   PHE   8           HA       PHE   8  -5.571   3.127   2.030
   49    HB2  PHE   8           2HB      PHE   8  -5.959   1.585   4.099
   50    HB3  PHE   8           1HB      PHE   8  -7.278   2.720   3.651
   51    HD1  PHE   8           2HD      PHE   8  -6.263  -0.863   3.689
   52    HD2  PHE   8           1HD      PHE   8  -9.393   1.942   2.785
   53    HE1  PHE   8           2HE      PHE   8  -7.883  -2.723   3.512
   54    HE2  PHE   8           1HE      PHE   8 -11.014   0.080   2.626
   55    HZ   PHE   8           HZ       PHE   8 -10.260  -2.256   2.973
   56    H    GLY   9           H        GLY   9  -6.211  -0.108   0.732
   57    HA2  GLY   9           2HA      GLY   9  -3.625  -1.136   1.461
   58    HA3  GLY   9           1HA      GLY   9  -4.954  -1.916   0.526
   59    H    HIS  10           H        HIS  10  -4.796   0.886  -1.045
   60    HA   HIS  10           HA       HIS  10  -2.917  -0.049  -3.056
   61    HB2  HIS  10           2HB      HIS  10  -5.119   0.797  -3.816
   62    HB3  HIS  10           1HB      HIS  10  -4.857   2.345  -2.956
   63    HD1  HIS  10           1HD      HIS  10  -3.102   4.019  -4.108
   64    HD2  HIS  10           2HD      HIS  10  -3.845   0.533  -6.321
   65    HE1  HIS  10           1HE      HIS  10  -2.183   4.365  -6.467
   66    H    ILE  11           H        ILE  11  -3.435   2.530  -0.646
   67    HA   ILE  11           HA       ILE  11  -1.188   4.094  -1.442
   68    HB   ILE  11           HB       ILE  11  -3.129   4.137   0.895
   69   HG12  ILE  11          2HG1      ILE  11  -2.614   6.179  -1.361
   70   HG13  ILE  11          1HG1      ILE  11  -3.814   4.858  -1.508
   71   HG21  ILE  11          1HG2      ILE  11  -0.981   4.982   1.823
   72   HG22  ILE  11          2HG2      ILE  11  -2.087   6.358   1.555
   73   HG23  ILE  11          3HG2      ILE  11  -0.751   6.054   0.388
   74   HD11  ILE  11          3HD1      ILE  11  -5.031   5.733   0.525
   75   HD12  ILE  11          1HD1      ILE  11  -4.978   6.903  -0.844
   76   HD13  ILE  11          2HD1      ILE  11  -3.895   7.134   0.574
   77    H    GLN  12           H        GLN  12  -1.772   1.333   0.639
   78    HA   GLN  12           HA       GLN  12   0.442   1.456   2.312
   79    HB2  GLN  12           2HB      GLN  12  -1.551  -0.042   2.568
   80    HB3  GLN  12           1HB      GLN  12  -1.037  -0.958   1.114
   81    HG2  GLN  12           2HG      GLN  12   1.047  -1.708   2.337
   82    HG3  GLN  12           1HG      GLN  12   0.556  -0.717   3.762
   83   HE21  GLN  12          1HE2      GLN  12  -0.846  -3.235   1.508
   84   HE22  GLN  12          2HE2      GLN  12  -1.675  -4.130   2.738
   85    H    VAL  13           H        VAL  13   0.066   0.418  -1.082
   86    HA   VAL  13           HA       VAL  13   2.545  -0.930  -1.226
   87    HB   VAL  13           HB       VAL  13   0.671   0.073  -3.422
   88   HG11  VAL  13          1HG1      VAL  13   1.847  -1.670  -4.848
   89   HG12  VAL  13          2HG1      VAL  13   3.057  -1.903  -3.532
   90   HG13  VAL  13          3HG1      VAL  13   2.937  -0.321  -4.391
   91   HG21  VAL  13          3HG2      VAL  13   0.975  -2.677  -2.042
   92   HG22  VAL  13          1HG2      VAL  13  -0.084  -2.325  -3.458
   93   HG23  VAL  13          2HG2      VAL  13  -0.419  -1.546  -1.875
   94    H    LYS  14           H        LYS  14   1.492   2.348  -1.644
   95    HA   LYS  14           HA       LYS  14   3.788   3.227  -3.135
   96    HB2  LYS  14           2HB      LYS  14   1.487   4.681  -1.760
   97    HB3  LYS  14           1HB      LYS  14   2.952   5.588  -2.250
   98    HG2  LYS  14           2HG      LYS  14   1.350   5.911  -3.915
   99    HG3  LYS  14           1HG      LYS  14   2.671   4.927  -4.619
  100    HD2  LYS  14           2HD      LYS  14   0.161   3.559  -3.542
  101    HD3  LYS  14           1HD      LYS  14   0.062   4.472  -5.082
  102    HE2  LYS  14           2HE      LYS  14   1.824   3.094  -6.131
  103    HE3  LYS  14           1HE      LYS  14   2.034   2.138  -4.614
  104    HZ1  LYS  14           3HZ      LYS  14  -0.255   1.440  -4.798
  105    HZ2  LYS  14           1HZ      LYS  14   0.634   1.024  -6.183
  106    HZ3  LYS  14           2HZ      LYS  14  -0.451   2.329  -6.230
  107    H    VAL  15           H        VAL  15   2.886   2.981   0.306
  108    HA   VAL  15           HA       VAL  15   5.082   4.518   1.266
  109    HB   VAL  15           HB       VAL  15   3.160   2.553   2.605
  110   HG11  VAL  15          1HG1      VAL  15   5.252   2.596   3.957
  111   HG12  VAL  15          2HG1      VAL  15   3.993   3.579   4.774
  112   HG13  VAL  15          3HG1      VAL  15   5.312   4.398   3.858
  113   HG21  VAL  15          3HG2      VAL  15   2.146   4.660   3.501
  114   HG22  VAL  15          1HG2      VAL  15   2.137   4.687   1.704
  115   HG23  VAL  15          2HG2      VAL  15   3.363   5.644   2.608
  116    H    PHE  16           H        PHE  16   4.420   1.089   0.519
  117    HA   PHE  16           HA       PHE  16   6.751   0.063   1.721
  118    HB2  PHE  16           2HB      PHE  16   4.669  -1.302   1.237
  119    HB3  PHE  16           1HB      PHE  16   4.990  -1.129  -0.525
  120    HD1  PHE  16           2HD      PHE  16   6.591  -2.312   2.693
  121    HD2  PHE  16           1HD      PHE  16   6.367  -2.737  -1.579
  122    HE1  PHE  16           2HE      PHE  16   8.116  -4.257   2.804
  123    HE2  PHE  16           1HE      PHE  16   7.891  -4.682  -1.465
  124    HZ   PHE  16           HZ       PHE  16   8.773  -5.442   0.726
  125    H    ASN  17           H        ASN  17   5.964   1.425  -1.482
  126    HA   ASN  17           HA       ASN  17   8.244   0.413  -2.802
  127    HB2  ASN  17           2HB      ASN  17   6.000   1.132  -3.869
  128    HB3  ASN  17           1HB      ASN  17   6.496   2.836  -3.597
  129   HD21  ASN  17          1HD2      ASN  17   7.329  -0.257  -5.252
  130   HD22  ASN  17          2HD2      ASN  17   8.288   0.431  -6.523
  131    H    HIS  18           H        HIS  18   7.479   3.310  -0.906
  132    HA   HIS  18           HA       HIS  18   9.729   4.832  -1.732
  133    HB2  HIS  18           2HB      HIS  18   7.588   5.828  -0.885
  134    HB3  HIS  18           1HB      HIS  18   7.890   5.112   0.727
  135    HD1  HIS  18           1HD      HIS  18  10.031   6.232   2.050
  136    HD2  HIS  18           2HD      HIS  18   8.864   8.222  -1.454
  137    HE1  HIS  18           1HE      HIS  18  11.101   8.552   2.061
  138    H    GLY  19           H        GLY  19   8.913   2.627   0.983
  139    HA2  GLY  19           2HA      GLY  19  11.262   3.198   2.469
  140    HA3  GLY  19           1HA      GLY  19  10.037   1.897   2.712
  141    H    GLU  20           H        GLU  20  10.448   0.976  -0.140
  142    HA   GLU  20           HA       GLU  20  12.635  -0.815   0.353
  143    HB2  GLU  20           2HB      GLU  20  10.512  -1.581  -0.764
  144    HB3  GLU  20           1HB      GLU  20  10.801  -0.425  -2.096
  145    HG2  GLU  20           2HG      GLU  20  11.431  -2.703  -2.795
  146    HG3  GLU  20           1HG      GLU  20  12.906  -1.677  -2.724
  147    H    HIS  21           H        HIS  21  11.719   1.741  -2.002
  148    HA   HIS  21           HA       HIS  21  12.763   3.080  -3.269
  149    HB2  HIS  21           2HB      HIS  21  13.835   3.801  -1.185
  150    HB3  HIS  21           1HB      HIS  21  15.243   2.762  -1.536
  151    HD1  HIS  21           1HD      HIS  21  13.309   5.730  -3.108
  152    HD2  HIS  21           2HD      HIS  21  17.104   3.965  -3.235
  153    HE1  HIS  21           1HE      HIS  21  14.824   7.222  -4.526
  154    H    ILE  22           H        ILE  22  16.028   2.148  -3.379
  155    HA   ILE  22           HA       ILE  22  17.281   1.159  -4.719
  156    HB   ILE  22           HB       ILE  22  15.085  -0.681  -5.715
  157   HG12  ILE  22          2HG1      ILE  22  17.156  -1.054  -3.454
  158   HG13  ILE  22          1HG1      ILE  22  15.387  -0.827  -3.226
  159   HG21  ILE  22          1HG2      ILE  22  17.082  -2.055  -6.439
  160   HG22  ILE  22          2HG2      ILE  22  18.178  -0.755  -5.836
  161   HG23  ILE  22          3HG2      ILE  22  17.084  -0.452  -7.234
  162   HD11  ILE  22          3HD1      ILE  22  14.937  -2.946  -4.497
  163   HD12  ILE  22          1HD1      ILE  22  15.925  -3.204  -3.012
  164   HD13  ILE  22          2HD1      ILE  22  16.716  -3.232  -4.625
  165    H    HIS  23           H        HIS  23  17.742   2.961  -5.851
  166    HA   HIS  23           HA       HIS  23  16.114   3.858  -7.994
  167    HB2  HIS  23           2HB      HIS  23  17.394   5.492  -6.670
  168    HB3  HIS  23           1HB      HIS  23  18.929   4.656  -7.061
  169    HD1  HIS  23           1HD      HIS  23  19.695   7.035  -8.059
  170    HD2  HIS  23           2HD      HIS  23  16.526   5.250 -10.153
  171    HE1  HIS  23           1HE      HIS  23  19.454   8.222 -10.309
  172    H    HIS  24           H        HIS  24  19.628   3.112  -8.036
  173    HA   HIS  24           HA       HIS  24  20.942   2.126  -9.412
  174    HB2  HIS  24           2HB      HIS  24  19.577   0.103  -8.735
  175    HB3  HIS  24           1HB      HIS  24  18.706   0.235 -10.292
  176    HD1  HIS  24           1HD      HIS  24  20.499   0.009 -12.491
  177    HD2  HIS  24           2HD      HIS  24  21.906  -1.292  -8.759
  178    HE1  HIS  24           1HE      HIS  24  22.531  -1.490 -12.885
  179    HN1  NH2  25           1H       NH2  25  20.636   4.384 -10.433
  180    HN2  NH2  25           2H       NH2  25  20.177   4.423 -12.103
  Start of MODEL   18
    1    H1   ACE   1           1HY      ACE   1  -7.957  14.634  -3.720
    2    H2   ACE   1           2HY      ACE   1  -8.106  16.342  -4.274
    3    H3   ACE   1           3HY      ACE   1  -8.842  15.844  -2.706
    4    H    PHE   2           H        PHE   2 -11.504  13.910  -4.485
    5    HA   PHE   2           HA       PHE   2  -9.778  13.853  -2.143
    6    HB2  PHE   2           2HB      PHE   2 -12.292  12.210  -2.847
    7    HB3  PHE   2           1HB      PHE   2 -11.441  12.222  -1.252
    8    HD1  PHE   2           2HD      PHE   2 -11.149  14.563  -0.116
    9    HD2  PHE   2           1HD      PHE   2 -14.045  13.731  -3.184
   10    HE1  PHE   2           2HE      PHE   2 -12.487  16.510   0.617
   11    HE2  PHE   2           1HE      PHE   2 -15.382  15.678  -2.447
   12    HZ   PHE   2           HZ       PHE   2 -14.605  17.072  -0.547
   13    H    GLU   3           H        GLU   3  -9.426  11.403  -1.410
   14    HA   GLU   3           HA       GLU   3  -8.272   9.944  -3.680
   15    HB2  GLU   3           2HB      GLU   3  -6.779  10.562  -1.722
   16    HB3  GLU   3           1HB      GLU   3  -7.788   9.506  -0.683
   17    HG2  GLU   3           2HG      GLU   3  -7.163   7.527  -2.155
   18    HG3  GLU   3           1HG      GLU   3  -6.230   8.637  -3.222
   19    H    ASP   4           H        ASP   4 -10.671   9.713  -4.152
   20    HA   ASP   4           HA       ASP   4 -12.096   7.805  -2.518
   21    HB2  ASP   4           2HB      ASP   4 -13.965   8.221  -4.223
   22    HB3  ASP   4           1HB      ASP   4 -13.443   9.646  -3.266
   23    H    LEU   5           H        LEU   5 -10.040   7.981  -5.247
   24    HA   LEU   5           HA       LEU   5 -10.771   5.487  -6.417
   25    HB2  LEU   5           2HB      LEU   5  -8.514   5.854  -7.691
   26    HB3  LEU   5           1HB      LEU   5  -9.900   6.927  -8.044
   27    HG   LEU   5           HG       LEU   5  -7.642   7.967  -8.010
   28   HD11  LEU   5          1HD1      LEU   5  -9.591   9.354  -6.076
   29   HD12  LEU   5          2HD1      LEU   5  -9.722   9.325  -7.875
   30   HD13  LEU   5          3HD1      LEU   5  -8.304  10.102  -7.080
   31   HD21  LEU   5          3HD2      LEU   5  -6.500   8.637  -5.973
   32   HD22  LEU   5          1HD2      LEU   5  -6.678   6.842  -5.997
   33   HD23  LEU   5          2HD2      LEU   5  -7.743   7.847  -4.941
   34    HA   PRO   6           HA       PRO   6  -8.434   3.136  -3.622
   35    HB2  PRO   6           2HB      PRO   6  -7.760   0.822  -4.966
   36    HB3  PRO   6           1HB      PRO   6  -9.463   1.352  -4.738
   37    HG2  PRO   6           2HG      PRO   6  -7.704   1.879  -7.196
   38    HG3  PRO   6           1HG      PRO   6  -9.344   1.103  -7.145
   39    HD2  PRO   6           2HD      PRO   6  -9.037   3.796  -7.644
   40    HD3  PRO   6           1HD      PRO   6 -10.407   3.201  -6.595
   41    H    ASN   7           H        ASN   7  -6.723   5.192  -4.158
   42    HA   ASN   7           HA       ASN   7  -4.105   3.891  -4.217
   43    HB2  ASN   7           2HB      ASN   7  -4.913   6.863  -4.146
   44    HB3  ASN   7           1HB      ASN   7  -3.221   6.270  -3.930
   45   HD21  ASN   7          1HD2      ASN   7  -3.626   8.039  -5.939
   46   HD22  ASN   7          2HD2      ASN   7  -3.531   7.270  -7.488
   47    H    PHE   8           H        PHE   8  -6.783   4.742  -2.315
   48    HA   PHE   8           HA       PHE   8  -5.367   5.037   0.173
   49    HB2  PHE   8           2HB      PHE   8  -7.579   6.239  -0.300
   50    HB3  PHE   8           1HB      PHE   8  -8.380   4.636  -0.433
   51    HD1  PHE   8           2HD      PHE   8  -5.985   6.376   1.976
   52    HD2  PHE   8           1HD      PHE   8  -9.578   4.062   1.482
   53    HE1  PHE   8           2HE      PHE   8  -6.335   6.397   4.418
   54    HE2  PHE   8           1HE      PHE   8  -9.926   4.088   3.930
   55    HZ   PHE   8           HZ       PHE   8  -8.305   5.254   5.403
   56    H    GLY   9           H        GLY   9  -6.744   2.560  -1.937
   57    HA2  GLY   9           2HA      GLY   9  -6.729   0.507   0.107
   58    HA3  GLY   9           1HA      GLY   9  -7.096   0.381  -1.658
   59    H    HIS  10           H        HIS  10  -4.752   1.792  -2.551
   60    HA   HIS  10           HA       HIS  10  -2.815  -0.358  -2.400
   61    HB2  HIS  10           2HB      HIS  10  -3.682   0.693  -4.574
   62    HB3  HIS  10           1HB      HIS  10  -2.851   2.205  -4.100
   63    HD1  HIS  10           1HD      HIS  10  -1.903  -1.504  -4.702
   64    HD2  HIS  10           2HD      HIS  10  -0.356   2.360  -5.232
   65    HE1  HIS  10           1HE      HIS  10   0.312  -1.698  -5.964
   66    H    ILE  11           H        ILE  11  -3.355   1.828  -0.171
   67    HA   ILE  11           HA       ILE  11  -1.187   3.579  -0.310
   68    HB   ILE  11           HB       ILE  11  -3.383   3.998   0.816
   69   HG12  ILE  11          2HG1      ILE  11  -2.495   5.282   2.746
   70   HG13  ILE  11          1HG1      ILE  11  -0.885   4.519   2.537
   71   HG21  ILE  11          1HG2      ILE  11  -3.797   3.184   3.082
   72   HG22  ILE  11          2HG2      ILE  11  -2.233   2.301   3.127
   73   HG23  ILE  11          3HG2      ILE  11  -3.538   1.769   2.000
   74   HD11  ILE  11          3HD1      ILE  11  -2.332   6.240   0.406
   75   HD12  ILE  11          1HD1      ILE  11  -0.655   5.586   0.283
   76   HD13  ILE  11          2HD1      ILE  11  -1.045   6.830   1.521
   77    H    GLN  12           H        GLN  12  -1.531   0.339   1.000
   78    HA   GLN  12           HA       GLN  12   0.611   0.430   2.823
   79    HB2  GLN  12           2HB      GLN  12  -1.306  -1.214   2.840
   80    HB3  GLN  12           1HB      GLN  12  -0.655  -1.953   1.341
   81    HG2  GLN  12           2HG      GLN  12   1.468  -2.550   2.601
   82    HG3  GLN  12           1HG      GLN  12   0.764  -1.841   4.100
   83   HE21  GLN  12          1HE2      GLN  12  -1.552  -2.750   4.645
   84   HE22  GLN  12          2HE2      GLN  12  -1.773  -4.459   4.458
   85    H    VAL  13           H        VAL  13   0.257  -0.319  -0.635
   86    HA   VAL  13           HA       VAL  13   2.841  -1.416  -0.955
   87    HB   VAL  13           HB       VAL  13   0.751  -0.449  -2.966
   88   HG11  VAL  13          1HG1      VAL  13   2.052  -2.003  -4.557
   89   HG12  VAL  13          2HG1      VAL  13   3.365  -2.067  -3.322
   90   HG13  VAL  13          3HG1      VAL  13   2.932  -0.504  -4.110
   91   HG21  VAL  13          3HG2      VAL  13   0.269  -2.921  -3.162
   92   HG22  VAL  13          1HG2      VAL  13  -0.096  -2.285  -1.523
   93   HG23  VAL  13          2HG2      VAL  13   1.411  -3.238  -1.804
   94    H    LYS  14           H        LYS  14   1.400   1.727  -1.171
   95    HA   LYS  14           HA       LYS  14   3.451   3.016  -2.652
   96    HB2  LYS  14           2HB      LYS  14   1.234   4.067  -0.827
   97    HB3  LYS  14           1HB      LYS  14   2.410   5.164  -1.633
   98    HG2  LYS  14           2HG      LYS  14   1.690   4.508  -3.845
   99    HG3  LYS  14           1HG      LYS  14   0.696   3.163  -3.202
  100    HD2  LYS  14           2HD      LYS  14  -0.754   5.008  -3.866
  101    HD3  LYS  14           1HD      LYS  14  -0.837   4.758  -2.089
  102    HE2  LYS  14           2HE      LYS  14   0.702   6.742  -1.742
  103    HE3  LYS  14           1HE      LYS  14   0.761   6.986  -3.536
  104    HZ1  LYS  14           3HZ      LYS  14  -1.667   7.078  -1.820
  105    HZ2  LYS  14           1HZ      LYS  14  -1.619   7.314  -3.502
  106    HZ3  LYS  14           2HZ      LYS  14  -0.832   8.409  -2.468
  107    H    VAL  15           H        VAL  15   2.974   2.298   0.805
  108    HA   VAL  15           HA       VAL  15   5.041   4.035   1.719
  109    HB   VAL  15           HB       VAL  15   3.490   1.729   2.974
  110   HG11  VAL  15          1HG1      VAL  15   5.652   3.533   4.266
  111   HG12  VAL  15          2HG1      VAL  15   5.709   1.735   4.097
  112   HG13  VAL  15          3HG1      VAL  15   4.494   2.495   5.174
  113   HG21  VAL  15          3HG2      VAL  15   3.514   4.790   3.458
  114   HG22  VAL  15          1HG2      VAL  15   2.432   3.590   4.255
  115   HG23  VAL  15          2HG2      VAL  15   2.274   3.919   2.493
  116    H    PHE  16           H        PHE  16   4.788   0.617   0.643
  117    HA   PHE  16           HA       PHE  16   7.296  -0.186   1.598
  118    HB2  PHE  16           2HB      PHE  16   5.677  -1.284  -0.789
  119    HB3  PHE  16           1HB      PHE  16   7.129  -2.077  -0.074
  120    HD1  PHE  16           2HD      PHE  16   6.218  -1.416   2.973
  121    HD2  PHE  16           1HD      PHE  16   4.413  -3.253  -0.483
  122    HE1  PHE  16           2HE      PHE  16   4.845  -2.822   4.432
  123    HE2  PHE  16           1HE      PHE  16   3.044  -4.673   1.001
  124    HZ   PHE  16           HZ       PHE  16   3.261  -4.466   3.463
  125    H    ASN  17           H        ASN  17   6.292   0.921  -1.731
  126    HA   ASN  17           HA       ASN  17   8.981   0.597  -2.608
  127    HB2  ASN  17           2HB      ASN  17   8.152   1.473  -4.823
  128    HB3  ASN  17           1HB      ASN  17   7.266   0.045  -4.188
  129   HD21  ASN  17          1HD2      ASN  17   5.276   0.292  -5.136
  130   HD22  ASN  17          2HD2      ASN  17   4.238   1.665  -4.945
  131    H    HIS  18           H        HIS  18   7.574   3.069  -0.846
  132    HA   HIS  18           HA       HIS  18   8.955   5.276  -2.037
  133    HB2  HIS  18           2HB      HIS  18   6.904   5.603  -0.640
  134    HB3  HIS  18           1HB      HIS  18   7.790   4.976   0.786
  135    HD1  HIS  18           1HD      HIS  18   7.727   7.979  -1.606
  136    HD2  HIS  18           2HD      HIS  18   9.588   6.802   1.956
  137    HE1  HIS  18           1HE      HIS  18   8.932  10.014  -0.638
  138    H    GLY  19           H        GLY  19   9.438   3.215   0.910
  139    HA2  GLY  19           2HA      GLY  19  11.952   4.525   1.433
  140    HA3  GLY  19           1HA      GLY  19  11.065   3.297   2.404
  141    H    GLU  20           H        GLU  20  10.769   1.290   0.352
  142    HA   GLU  20           HA       GLU  20  13.427   0.182   0.744
  143    HB2  GLU  20           2HB      GLU  20  10.831  -1.225  -0.087
  144    HB3  GLU  20           1HB      GLU  20  12.373  -1.996   0.425
  145    HG2  GLU  20           2HG      GLU  20  12.100  -0.994   2.726
  146    HG3  GLU  20           1HG      GLU  20  10.566  -0.208   2.198
  147    H    HIS  21           H        HIS  21  10.955   0.821  -1.741
  148    HA   HIS  21           HA       HIS  21  10.914   0.993  -3.816
  149    HB2  HIS  21           2HB      HIS  21  12.937   2.363  -3.549
  150    HB3  HIS  21           1HB      HIS  21  13.946   0.936  -3.965
  151    HD1  HIS  21           1HD      HIS  21  14.693   1.242  -6.381
  152    HD2  HIS  21           2HD      HIS  21  10.746   2.573  -5.867
  153    HE1  HIS  21           1HE      HIS  21  13.815   2.034  -8.646
  154    H    ILE  22           H        ILE  22  10.689  -0.121  -5.733
  155    HA   ILE  22           HA       ILE  22  10.079  -1.820  -6.839
  156    HB   ILE  22           HB       ILE  22  12.494  -3.405  -5.902
  157   HG12  ILE  22          2HG1      ILE  22  13.310  -1.236  -6.710
  158   HG13  ILE  22          1HG1      ILE  22  13.700  -2.561  -7.852
  159   HG21  ILE  22          1HG2      ILE  22  12.179  -4.495  -8.170
  160   HG22  ILE  22          2HG2      ILE  22  10.670  -3.535  -8.403
  161   HG23  ILE  22          3HG2      ILE  22  10.770  -4.758  -7.088
  162   HD11  ILE  22          3HD1      ILE  22  11.432  -0.488  -8.232
  163   HD12  ILE  22          1HD1      ILE  22  11.835  -1.828  -9.373
  164   HD13  ILE  22          2HD1      ILE  22  13.021  -0.510  -9.072
  165    H    HIS  23           H        HIS  23   8.356  -1.675  -5.228
  166    HA   HIS  23           HA       HIS  23   6.919  -2.403  -3.826
  167    HB2  HIS  23           2HB      HIS  23   6.787  -4.358  -5.378
  168    HB3  HIS  23           1HB      HIS  23   7.950  -5.244  -4.342
  169    HD1  HIS  23           1HD      HIS  23   4.570  -3.399  -3.860
  170    HD2  HIS  23           2HD      HIS  23   6.505  -6.871  -2.504
  171    HE1  HIS  23           1HE      HIS  23   2.983  -4.645  -2.298
  172    H    HIS  24           H        HIS  24   7.709  -5.049  -2.141
  173    HA   HIS  24           HA       HIS  24   9.048  -3.574  -0.019
  174    HB2  HIS  24           2HB      HIS  24   6.999  -4.941   0.493
  175    HB3  HIS  24           1HB      HIS  24   7.840  -6.410  -0.091
  176    HD1  HIS  24           1HD      HIS  24  10.201  -6.903   1.454
  177    HD2  HIS  24           2HD      HIS  24   7.232  -4.484   3.163
  178    HE1  HIS  24           1HE      HIS  24  10.583  -6.840   3.980
  179    HN1  NH2  25           1H       NH2  25  12.231  -4.936  -0.799
  180    HN2  NH2  25           2H       NH2  25  11.289  -3.611  -0.199
  Start of MODEL   19
    1    H1   ACE   1           1HY      ACE   1 -11.778   2.119  -3.313
    2    H2   ACE   1           2HY      ACE   1 -13.529   2.053  -2.866
    3    H3   ACE   1           3HY      ACE   1 -12.881   3.459  -3.786
    4    H    PHE   2           H        PHE   2 -11.809   3.182   0.251
    5    HA   PHE   2           HA       PHE   2 -11.332   0.966  -1.492
    6    HB2  PHE   2           2HB      PHE   2  -9.878   1.477   0.501
    7    HB3  PHE   2           1HB      PHE   2 -11.272   1.148   1.588
    8    HD1  PHE   2           2HD      PHE   2  -8.757  -0.312  -0.707
    9    HD2  PHE   2           1HD      PHE   2 -12.052  -1.173   1.910
   10    HE1  PHE   2           2HE      PHE   2  -8.162  -2.719  -0.747
   11    HE2  PHE   2           1HE      PHE   2 -11.463  -3.575   1.862
   12    HZ   PHE   2           HZ       PHE   2  -9.520  -4.352   0.530
   13    H    GLU   3           H        GLU   3 -12.714  -0.706  -1.879
   14    HA   GLU   3           HA       GLU   3 -14.766  -1.387  -0.020
   15    HB2  GLU   3           2HB      GLU   3 -15.973   0.362  -1.360
   16    HB3  GLU   3           1HB      GLU   3 -15.538  -0.480  -2.877
   17    HG2  GLU   3           2HG      GLU   3 -16.889  -2.496  -2.098
   18    HG3  GLU   3           1HG      GLU   3 -17.290  -1.610  -0.580
   19    H    ASP   4           H        ASP   4 -14.489  -1.869  -3.546
   20    HA   ASP   4           HA       ASP   4 -13.560  -4.601  -3.107
   21    HB2  ASP   4           2HB      ASP   4 -15.656  -4.230  -4.540
   22    HB3  ASP   4           1HB      ASP   4 -14.643  -3.286  -5.685
   23    H    LEU   5           H        LEU   5 -12.899  -1.493  -4.498
   24    HA   LEU   5           HA       LEU   5 -10.628  -2.274  -6.022
   25    HB2  LEU   5           2HB      LEU   5 -11.580   0.537  -5.212
   26    HB3  LEU   5           1HB      LEU   5 -10.201   0.179  -6.305
   27    HG   LEU   5           HG       LEU   5 -11.873  -1.094  -7.804
   28   HD11  LEU   5          1HD1      LEU   5 -13.915   0.560  -6.173
   29   HD12  LEU   5          2HD1      LEU   5 -13.875  -1.235  -6.336
   30   HD13  LEU   5          3HD1      LEU   5 -14.240  -0.217  -7.766
   31   HD21  LEU   5          3HD2      LEU   5 -12.495   1.010  -8.980
   32   HD22  LEU   5          1HD2      LEU   5 -10.796   1.069  -8.380
   33   HD23  LEU   5          2HD2      LEU   5 -12.092   1.968  -7.505
   34    HA   PRO   6           HA       PRO   6  -7.776  -1.369  -2.556
   35    HB2  PRO   6           2HB      PRO   6  -5.750  -1.631  -4.839
   36    HB3  PRO   6           1HB      PRO   6  -5.671  -2.306  -3.163
   37    HG2  PRO   6           2HG      PRO   6  -6.325  -3.905  -5.280
   38    HG3  PRO   6           1HG      PRO   6  -7.279  -4.031  -3.740
   39    HD2  PRO   6           2HD      PRO   6  -8.014  -2.431  -6.271
   40    HD3  PRO   6           1HD      PRO   6  -9.033  -3.600  -5.308
   41    H    ASN   7           H        ASN   7  -8.434   0.816  -2.249
   42    HA   ASN   7           HA       ASN   7  -7.071   2.803  -3.896
   43    HB2  ASN   7           2HB      ASN   7  -9.597   2.983  -3.791
   44    HB3  ASN   7           1HB      ASN   7  -9.484   3.146  -2.010
   45   HD21  ASN   7          1HD2      ASN   7  -9.551   5.274  -1.334
   46   HD22  ASN   7          2HD2      ASN   7  -9.006   6.652  -2.228
   47    H    PHE   8           H        PHE   8  -8.202   2.153  -0.659
   48    HA   PHE   8           HA       PHE   8  -5.824   3.369   0.547
   49    HB2  PHE   8           2HB      PHE   8  -8.367   2.256   1.893
   50    HB3  PHE   8           1HB      PHE   8  -7.014   3.101   2.742
   51    HD1  PHE   8           1HD      PHE   8  -6.331   5.442   1.422
   52    HD2  PHE   8           2HD      PHE   8 -10.229   3.629   1.589
   53    HE1  PHE   8           1HE      PHE   8  -7.376   7.638   1.002
   54    HE2  PHE   8           2HE      PHE   8 -11.268   5.828   1.164
   55    HZ   PHE   8           HZ       PHE   8  -9.845   7.840   0.873
   56    H    GLY   9           H        GLY   9  -6.587   0.474  -0.797
   57    HA2  GLY   9           2HA      GLY   9  -5.127  -1.170   1.127
   58    HA3  GLY   9           1HA      GLY   9  -5.906  -1.645  -0.436
   59    H    HIS  10           H        HIS  10  -4.896   0.584  -1.962
   60    HA   HIS  10           HA       HIS  10  -2.274  -0.474  -2.536
   61    HB2  HIS  10           2HB      HIS  10  -4.030  -0.168  -4.321
   62    HB3  HIS  10           1HB      HIS  10  -3.951   1.603  -4.053
   63    HD1  HIS  10           1HD      HIS  10  -1.320  -1.181  -4.733
   64    HD2  HIS  10           2HD      HIS  10  -2.317   2.692  -5.996
   65    HE1  HIS  10           1HE      HIS  10   0.369  -0.470  -6.512
   66    H    ILE  11           H        ILE  11  -3.469   1.990  -0.522
   67    HA   ILE  11           HA       ILE  11  -1.535   3.975  -1.189
   68    HB   ILE  11           HB       ILE  11  -3.871   4.319  -0.149
   69   HG12  ILE  11          2HG1      ILE  11  -3.084   6.307   1.213
   70   HG13  ILE  11          1HG1      ILE  11  -1.390   5.801   0.900
   71   HG21  ILE  11          1HG2      ILE  11  -3.476   2.651   1.744
   72   HG22  ILE  11          2HG2      ILE  11  -4.075   4.268   2.266
   73   HG23  ILE  11          3HG2      ILE  11  -2.344   3.837   2.491
   74   HD11  ILE  11          3HD1      ILE  11  -3.510   6.461  -1.261
   75   HD12  ILE  11          1HD1      ILE  11  -1.777   6.069  -1.576
   76   HD13  ILE  11          2HD1      ILE  11  -2.210   7.580  -0.699
   77    H    GLN  12           H        GLN  12  -1.651   1.083   0.702
   78    HA   GLN  12           HA       GLN  12   0.460   1.616   2.509
   79    HB2  GLN  12           2HB      GLN  12  -1.394  -0.057   2.816
   80    HB3  GLN  12           1HB      GLN  12  -0.748  -1.034   1.473
   81    HG2  GLN  12           2HG      GLN  12   0.803  -0.369   4.082
   82    HG3  GLN  12           1HG      GLN  12  -0.257  -1.810   3.892
   83   HE21  GLN  12          1HE2      GLN  12   0.282  -2.933   1.508
   84   HE22  GLN  12          2HE2      GLN  12   1.953  -3.370   1.357
   85    H    VAL  13           H        VAL  13   0.104   0.389  -0.798
   86    HA   VAL  13           HA       VAL  13   2.648  -0.777  -1.003
   87    HB   VAL  13           HB       VAL  13   0.692   0.088  -3.188
   88   HG11  VAL  13          1HG1      VAL  13   1.819  -1.765  -4.510
   89   HG12  VAL  13          2HG1      VAL  13   3.057  -1.911  -3.207
   90   HG13  VAL  13          3HG1      VAL  13   2.918  -0.389  -4.170
   91   HG21  VAL  13          3HG2      VAL  13  -0.063  -2.323  -3.064
   92   HG22  VAL  13          1HG2      VAL  13  -0.422  -1.429  -1.552
   93   HG23  VAL  13          2HG2      VAL  13   0.981  -2.561  -1.616
   94    H    LYS  14           H        LYS  14   1.479   2.456  -1.263
   95    HA   LYS  14           HA       LYS  14   3.559   3.496  -2.918
   96    HB2  LYS  14           2HB      LYS  14   1.844   4.988  -0.838
   97    HB3  LYS  14           1HB      LYS  14   2.828   5.740  -2.141
   98    HG2  LYS  14           2HG      LYS  14   0.331   3.976  -2.505
   99    HG3  LYS  14           1HG      LYS  14   0.424   5.760  -2.657
  100    HD2  LYS  14           2HD      LYS  14   2.036   5.486  -4.584
  101    HD3  LYS  14           1HD      LYS  14   1.823   3.699  -4.474
  102    HE2  LYS  14           2HE      LYS  14  -0.651   3.979  -4.904
  103    HE3  LYS  14           1HE      LYS  14  -0.408   5.765  -5.070
  104    HZ1  LYS  14           3HZ      LYS  14   1.093   5.324  -6.902
  105    HZ2  LYS  14           1HZ      LYS  14  -0.448   4.668  -7.186
  106    HZ3  LYS  14           2HZ      LYS  14   0.839   3.651  -6.748
  107    H    VAL  15           H        VAL  15   3.019   3.119   0.596
  108    HA   VAL  15           HA       VAL  15   5.341   4.539   1.386
  109    HB   VAL  15           HB       VAL  15   3.589   2.547   2.923
  110   HG11  VAL  15          1HG1      VAL  15   5.622   4.687   3.873
  111   HG12  VAL  15          2HG1      VAL  15   5.776   2.899   4.073
  112   HG13  VAL  15          3HG1      VAL  15   4.484   3.789   4.944
  113   HG21  VAL  15          3HG2      VAL  15   2.231   4.433   2.026
  114   HG22  VAL  15          1HG2      VAL  15   3.441   5.624   2.633
  115   HG23  VAL  15          2HG2      VAL  15   2.475   4.639   3.791
  116    H    PHE  16           H        PHE  16   4.501   1.177   0.602
  117    HA   PHE  16           HA       PHE  16   6.740  -0.056   1.727
  118    HB2  PHE  16           2HB      PHE  16   4.586  -1.245   1.103
  119    HB3  PHE  16           1HB      PHE  16   4.969  -0.985  -0.635
  120    HD1  PHE  16           1HD      PHE  16   6.396  -2.473   2.538
  121    HD2  PHE  16           2HD      PHE  16   6.255  -2.615  -1.756
  122    HE1  PHE  16           1HE      PHE  16   7.774  -4.528   2.558
  123    HE2  PHE  16           2HE      PHE  16   7.634  -4.668  -1.734
  124    HZ   PHE  16           HZ       PHE  16   8.400  -5.627   0.422
  125    H    ASN  17           H        ASN  17   6.018   1.187  -1.592
  126    HA   ASN  17           HA       ASN  17   8.490   0.280  -2.669
  127    HB2  ASN  17           2HB      ASN  17   6.374   2.251  -3.731
  128    HB3  ASN  17           1HB      ASN  17   7.808   1.702  -4.683
  129   HD21  ASN  17          1HD2      ASN  17   5.280   1.289  -5.704
  130   HD22  ASN  17          2HD2      ASN  17   4.897  -0.402  -5.697
  131    H    HIS  18           H        HIS  18   7.537   3.102  -0.839
  132    HA   HIS  18           HA       HIS  18   9.526   4.848  -1.894
  133    HB2  HIS  18           2HB      HIS  18   7.432   5.668  -0.804
  134    HB3  HIS  18           1HB      HIS  18   7.959   4.964   0.756
  135    HD1  HIS  18           1HD      HIS  18  10.142   6.233   1.857
  136    HD2  HIS  18           2HD      HIS  18   8.441   8.160  -1.460
  137    HE1  HIS  18           1HE      HIS  18  11.016   8.634   1.796
  138    H    GLY  19           H        GLY  19   9.222   2.620   0.924
  139    HA2  GLY  19           2HA      GLY  19  11.783   3.375   1.977
  140    HA3  GLY  19           1HA      GLY  19  10.624   2.121   2.552
  141    H    GLU  20           H        GLU  20  10.568   1.040  -0.328
  142    HA   GLU  20           HA       GLU  20  12.733  -0.828   0.033
  143    HB2  GLU  20           2HB      GLU  20  10.477  -1.632  -0.550
  144    HB3  GLU  20           1HB      GLU  20  10.471  -0.635  -2.039
  145    HG2  GLU  20           2HG      GLU  20  12.321  -2.026  -3.001
  146    HG3  GLU  20           1HG      GLU  20  12.450  -2.944  -1.451
  147    H    HIS  21           H        HIS  21  11.485   0.994  -2.859
  148    HA   HIS  21           HA       HIS  21  14.123   1.127  -3.927
  149    HB2  HIS  21           2HB      HIS  21  11.478   2.229  -5.001
  150    HB3  HIS  21           1HB      HIS  21  13.043   2.216  -5.891
  151    HD1  HIS  21           1HD      HIS  21  14.000  -0.324  -6.410
  152    HD2  HIS  21           2HD      HIS  21  10.038  -0.118  -5.061
  153    HE1  HIS  21           1HE      HIS  21  12.880  -2.568  -6.903
  154    H    ILE  22           H        ILE  22  15.475   2.709  -3.220
  155    HA   ILE  22           HA       ILE  22  14.387   5.154  -2.108
  156    HB   ILE  22           HB       ILE  22  17.274   4.177  -2.307
  157   HG12  ILE  22          2HG1      ILE  22  16.039   2.598  -0.925
  158   HG13  ILE  22          1HG1      ILE  22  17.116   3.621   0.079
  159   HG21  ILE  22          1HG2      ILE  22  15.970   6.511  -0.746
  160   HG22  ILE  22          2HG2      ILE  22  17.132   6.645  -2.119
  161   HG23  ILE  22          3HG2      ILE  22  17.673   5.950  -0.554
  162   HD11  ILE  22          3HD1      ILE  22  14.963   3.273   1.229
  163   HD12  ILE  22          1HD1      ILE  22  14.047   3.917  -0.174
  164   HD13  ILE  22          2HD1      ILE  22  15.115   5.009   0.787
  165    H    HIS  23           H        HIS  23  16.890   4.172  -4.331
  166    HA   HIS  23           HA       HIS  23  16.685   6.596  -5.852
  167    HB2  HIS  23           2HB      HIS  23  18.613   4.241  -6.216
  168    HB3  HIS  23           1HB      HIS  23  18.764   5.865  -6.974
  169    HD1  HIS  23           1HD      HIS  23  18.912   7.925  -5.073
  170    HD2  HIS  23           2HD      HIS  23  19.979   4.087  -3.732
  171    HE1  HIS  23           1HE      HIS  23  20.239   8.167  -2.903
  172    H    HIS  24           H        HIS  24  17.229   5.922  -8.417
  173    HA   HIS  24           HA       HIS  24  14.807   4.631  -9.263
  174    HB2  HIS  24           2HB      HIS  24  15.672   6.695 -10.379
  175    HB3  HIS  24           1HB      HIS  24  17.137   5.802 -10.896
  176    HD1  HIS  24           1HD      HIS  24  16.582   3.752 -12.696
  177    HD2  HIS  24           2HD      HIS  24  13.462   6.473 -12.011
  178    HE1  HIS  24           1HE      HIS  24  14.870   3.489 -14.575
  179    HN1  NH2  25           1H       NH2  25  14.714   2.418  -9.580
  180    HN2  NH2  25           2H       NH2  25  16.057   1.390  -9.956
  Start of MODEL   20
    1    H1   ACE   1           1HY      ACE   1 -18.436  -2.263 -11.876
    2    H2   ACE   1           2HY      ACE   1 -17.021  -3.220 -11.287
    3    H3   ACE   1           3HY      ACE   1 -17.527  -1.727 -10.409
    4    H    PHE   2           H        PHE   2 -17.370   0.370 -11.624
    5    HA   PHE   2           HA       PHE   2 -15.592   0.464 -13.893
    6    HB2  PHE   2           2HB      PHE   2 -17.582   2.003 -13.756
    7    HB3  PHE   2           1HB      PHE   2 -16.922   2.733 -12.255
    8    HD1  PHE   2           1HD      PHE   2 -16.033   2.020 -15.863
    9    HD2  PHE   2           2HD      PHE   2 -15.482   4.601 -12.469
   10    HE1  PHE   2           1HE      PHE   2 -14.722   3.584 -17.262
   11    HE2  PHE   2           2HE      PHE   2 -14.172   6.163 -13.871
   12    HZ   PHE   2           HZ       PHE   2 -13.788   5.656 -16.270
   13    H    GLU   3           H        GLU   3 -15.651   2.265 -10.750
   14    HA   GLU   3           HA       GLU   3 -12.759   1.897 -10.510
   15    HB2  GLU   3           2HB      GLU   3 -13.604   4.249 -10.341
   16    HB3  GLU   3           1HB      GLU   3 -14.698   3.760  -9.015
   17    HG2  GLU   3           2HG      GLU   3 -12.674   4.908  -8.135
   18    HG3  GLU   3           1HG      GLU   3 -12.731   3.206  -7.562
   19    H    ASP   4           H        ASP   4 -12.792  -0.275  -9.920
   20    HA   ASP   4           HA       ASP   4 -13.814  -0.807  -7.233
   21    HB2  ASP   4           2HB      ASP   4 -15.443  -1.729  -9.004
   22    HB3  ASP   4           1HB      ASP   4 -14.106  -2.741  -9.636
   23    H    LEU   5           H        LEU   5 -11.519  -0.095  -6.989
   24    HA   LEU   5           HA       LEU   5  -9.710  -2.373  -7.385
   25    HB2  LEU   5           2HB      LEU   5  -9.048   0.643  -7.385
   26    HB3  LEU   5           1HB      LEU   5  -7.821  -0.670  -7.410
   27    HG   LEU   5           HG       LEU   5  -9.887  -0.101  -9.616
   28   HD11  LEU   5          1HD1      LEU   5  -6.856   0.466  -9.530
   29   HD12  LEU   5          2HD1      LEU   5  -8.169   1.696  -9.413
   30   HD13  LEU   5          3HD1      LEU   5  -7.957   0.748 -10.932
   31   HD21  LEU   5          3HD2      LEU   5  -8.520  -1.683 -11.009
   32   HD22  LEU   5          1HD2      LEU   5  -9.279  -2.515  -9.610
   33   HD23  LEU   5          2HD2      LEU   5  -7.526  -2.094  -9.563
   34    HA   PRO   6           HA       PRO   6  -9.278  -1.507  -2.941
   35    HB2  PRO   6           2HB      PRO   6  -6.797  -2.593  -2.371
   36    HB3  PRO   6           1HB      PRO   6  -8.230  -3.612  -2.766
   37    HG2  PRO   6           2HG      PRO   6  -5.989  -2.748  -4.664
   38    HG3  PRO   6           1HG      PRO   6  -6.683  -4.404  -4.422
   39    HD2  PRO   6           2HD      PRO   6  -7.492  -2.682  -6.464
   40    HD3  PRO   6           1HD      PRO   6  -8.651  -3.848  -5.675
   41    H    ASN   7           H        ASN   7  -9.290   0.825  -3.268
   42    HA   ASN   7           HA       ASN   7  -6.938   2.127  -4.193
   43    HB2  ASN   7           2HB      ASN   7  -9.549   3.256  -3.009
   44    HB3  ASN   7           1HB      ASN   7  -8.254   4.250  -3.779
   45   HD21  ASN   7          1HD2      ASN   7 -11.211   2.723  -4.407
   46   HD22  ASN   7          2HD2      ASN   7 -11.086   2.558  -6.127
   47    H    PHE   8           H        PHE   8  -8.314   1.294  -1.144
   48    HA   PHE   8           HA       PHE   8  -6.641   3.038   0.420
   49    HB2  PHE   8           2HB      PHE   8  -8.928   2.255   1.241
   50    HB3  PHE   8           1HB      PHE   8  -8.291   0.572   1.307
   51    HD1  PHE   8           2HD      PHE   8  -7.648   4.076   2.572
   52    HD2  PHE   8           1HD      PHE   8  -7.157  -0.138   3.274
   53    HE1  PHE   8           2HE      PHE   8  -6.698   4.557   4.804
   54    HE2  PHE   8           1HE      PHE   8  -6.211   0.347   5.509
   55    HZ   PHE   8           HZ       PHE   8  -5.975   2.695   6.276
   56    H    GLY   9           H        GLY   9  -6.592  -0.242  -0.948
   57    HA2  GLY   9           2HA      GLY   9  -4.462  -1.240   0.604
   58    HA3  GLY   9           1HA      GLY   9  -5.105  -1.843  -0.969
   59    H    HIS  10           H        HIS  10  -4.645   0.827  -2.272
   60    HA   HIS  10           HA       HIS  10  -1.954   0.330  -3.096
   61    HB2  HIS  10           2HB      HIS  10  -3.907   2.558  -3.911
   62    HB3  HIS  10           1HB      HIS  10  -2.339   2.190  -4.713
   63    HD1  HIS  10           1HD      HIS  10  -2.656  -0.956  -4.909
   64    HD2  HIS  10           2HD      HIS  10  -5.577   1.844  -6.013
   65    HE1  HIS  10           1HE      HIS  10  -4.189  -2.045  -6.638
   66    H    ILE  11           H        ILE  11  -3.288   2.116  -0.510
   67    HA   ILE  11           HA       ILE  11  -1.450   4.336  -0.635
   68    HB   ILE  11           HB       ILE  11  -3.428   3.431   1.501
   69   HG12  ILE  11          2HG1      ILE  11  -3.385   5.838  -0.433
   70   HG13  ILE  11          1HG1      ILE  11  -4.397   4.369  -0.624
   71   HG21  ILE  11          1HG2      ILE  11  -2.878   5.619   2.646
   72   HG22  ILE  11          2HG2      ILE  11  -1.552   5.895   1.457
   73   HG23  ILE  11          3HG2      ILE  11  -1.477   4.520   2.626
   74   HD11  ILE  11          3HD1      ILE  11  -5.812   6.103   0.309
   75   HD12  ILE  11          1HD1      ILE  11  -4.632   6.478   1.611
   76   HD13  ILE  11          2HD1      ILE  11  -5.504   4.902   1.620
   77    H    GLN  12           H        GLN  12  -1.837   1.198   1.123
   78    HA   GLN  12           HA       GLN  12   0.453   1.589   2.735
   79    HB2  GLN  12           2HB      GLN  12  -1.097  -0.960   2.003
   80    HB3  GLN  12           1HB      GLN  12   0.333  -0.937   3.085
   81    HG2  GLN  12           2HG      GLN  12  -1.466  -0.940   4.580
   82    HG3  GLN  12           1HG      GLN  12  -0.857   0.751   4.584
   83   HE21  GLN  12          1HE2      GLN  12  -3.368  -1.432   3.139
   84   HE22  GLN  12          2HE2      GLN  12  -4.594  -0.220   2.954
   85    H    VAL  13           H        VAL  13  -0.093   0.221  -0.511
   86    HA   VAL  13           HA       VAL  13   2.390  -1.064  -0.736
   87    HB   VAL  13           HB       VAL  13   0.288  -0.157  -2.739
   88   HG11  VAL  13          1HG1      VAL  13   2.428  -0.159  -4.010
   89   HG12  VAL  13          2HG1      VAL  13   1.487  -1.631  -4.424
   90   HG13  VAL  13          3HG1      VAL  13   2.880  -1.750  -3.286
   91   HG21  VAL  13          3HG2      VAL  13  -0.185  -2.608  -2.826
   92   HG22  VAL  13          1HG2      VAL  13  -0.258  -2.049  -1.117
   93   HG23  VAL  13          2HG2      VAL  13   1.188  -2.938  -1.707
   94    H    LYS  14           H        LYS  14   1.291   2.177  -1.338
   95    HA   LYS  14           HA       LYS  14   3.435   3.083  -2.844
   96    HB2  LYS  14           2HB      LYS  14   1.120   4.189  -2.471
   97    HB3  LYS  14           1HB      LYS  14   1.737   4.764  -0.894
   98    HG2  LYS  14           2HG      LYS  14   1.893   6.547  -2.530
   99    HG3  LYS  14           1HG      LYS  14   3.572   6.024  -2.156
  100    HD2  LYS  14           2HD      LYS  14   3.624   4.670  -4.252
  101    HD3  LYS  14           1HD      LYS  14   1.901   5.071  -4.565
  102    HE2  LYS  14           2HE      LYS  14   2.517   7.513  -4.812
  103    HE3  LYS  14           1HE      LYS  14   4.252   7.102  -4.488
  104    HZ1  LYS  14           3HZ      LYS  14   3.787   7.299  -6.823
  105    HZ2  LYS  14           1HZ      LYS  14   2.600   6.087  -6.743
  106    HZ3  LYS  14           2HZ      LYS  14   4.226   5.704  -6.441
  107    H    VAL  15           H        VAL  15   2.916   2.893   0.688
  108    HA   VAL  15           HA       VAL  15   5.154   4.453   1.417
  109    HB   VAL  15           HB       VAL  15   3.470   2.420   2.965
  110   HG11  VAL  15          1HG1      VAL  15   4.422   3.570   5.017
  111   HG12  VAL  15          2HG1      VAL  15   5.592   4.446   3.961
  112   HG13  VAL  15          3HG1      VAL  15   5.668   2.647   4.114
  113   HG21  VAL  15          3HG2      VAL  15   3.448   5.514   2.843
  114   HG22  VAL  15          1HG2      VAL  15   2.406   4.491   3.898
  115   HG23  VAL  15          2HG2      VAL  15   2.211   4.430   2.114
  116    H    PHE  16           H        PHE  16   4.573   0.947   0.865
  117    HA   PHE  16           HA       PHE  16   7.008   0.076   1.967
  118    HB2  PHE  16           2HB      PHE  16   5.303  -1.284  -0.217
  119    HB3  PHE  16           1HB      PHE  16   6.571  -2.086   0.786
  120    HD1  PHE  16           1HD      PHE  16   5.671  -0.701   3.528
  121    HD2  PHE  16           2HD      PHE  16   3.601  -2.781   0.372
  122    HE1  PHE  16           1HE      PHE  16   3.919  -1.370   5.109
  123    HE2  PHE  16           2HE      PHE  16   1.859  -3.467   1.979
  124    HZ   PHE  16           HZ       PHE  16   2.008  -2.755   4.351
  125    H    ASN  17           H        ASN  17   5.977   0.973  -1.341
  126    HA   ASN  17           HA       ASN  17   8.309   0.087  -2.608
  127    HB2  ASN  17           2HB      ASN  17   5.935   0.427  -3.593
  128    HB3  ASN  17           1HB      ASN  17   6.279   2.190  -3.613
  129   HD21  ASN  17          1HD2      ASN  17   5.770   1.742  -5.977
  130   HD22  ASN  17          2HD2      ASN  17   7.065   1.279  -7.032
  131    H    HIS  18           H        HIS  18   7.312   3.152  -1.111
  132    HA   HIS  18           HA       HIS  18   9.308   4.780  -2.256
  133    HB2  HIS  18           2HB      HIS  18   7.180   5.651  -1.288
  134    HB3  HIS  18           1HB      HIS  18   7.683   5.108   0.342
  135    HD1  HIS  18           1HD      HIS  18   9.722   6.572   1.421
  136    HD2  HIS  18           2HD      HIS  18   8.203   8.075  -2.189
  137    HE1  HIS  18           1HE      HIS  18  10.545   8.976   1.152
  138    H    GLY  19           H        GLY  19   9.093   2.687   0.633
  139    HA2  GLY  19           2HA      GLY  19  11.470   3.646   1.848
  140    HA3  GLY  19           1HA      GLY  19  10.512   2.161   2.216
  141    H    GLU  20           H        GLU  20  10.608   0.644  -0.018
  142    HA   GLU  20           HA       GLU  20  13.334   0.479  -0.958
  143    HB2  GLU  20           2HB      GLU  20  13.405  -0.792   1.203
  144    HB3  GLU  20           1HB      GLU  20  12.037  -1.803   0.662
  145    HG2  GLU  20           2HG      GLU  20  13.493  -2.636  -1.277
  146    HG3  GLU  20           1HG      GLU  20  14.851  -1.638  -0.638
  147    H    HIS  21           H        HIS  21  10.682  -1.966  -0.719
  148    HA   HIS  21           HA       HIS  21   9.819  -1.464  -3.377
  149    HB2  HIS  21           2HB      HIS  21  11.978  -2.905  -3.609
  150    HB3  HIS  21           1HB      HIS  21  11.082  -4.200  -2.755
  151    HD1  HIS  21           1HD      HIS  21  10.712  -1.991  -5.922
  152    HD2  HIS  21           2HD      HIS  21   9.547  -5.744  -4.471
  153    HE1  HIS  21           1HE      HIS  21   9.523  -3.232  -7.814
  154    H    ILE  22           H        ILE  22   8.332  -3.718  -3.789
  155    HA   ILE  22           HA       ILE  22   6.533  -3.662  -1.497
  156    HB   ILE  22           HB       ILE  22   5.800  -4.786  -4.228
  157   HG12  ILE  22          2HG1      ILE  22   4.595  -2.458  -4.432
  158   HG13  ILE  22          1HG1      ILE  22   5.928  -1.842  -3.402
  159   HG21  ILE  22          1HG2      ILE  22   4.359  -5.274  -2.194
  160   HG22  ILE  22          2HG2      ILE  22   3.517  -4.212  -3.373
  161   HG23  ILE  22          3HG2      ILE  22   4.232  -3.504  -1.878
  162   HD11  ILE  22          3HD1      ILE  22   6.251  -3.354  -6.100
  163   HD12  ILE  22          1HD1      ILE  22   7.578  -2.562  -5.174
  164   HD13  ILE  22          2HD1      ILE  22   6.283  -1.563  -5.913
  165    H    HIS  23           H        HIS  23   8.755  -5.022  -0.975
  166    HA   HIS  23           HA       HIS  23   8.530  -7.791  -1.538
  167    HB2  HIS  23           2HB      HIS  23  10.347  -8.043   0.180
  168    HB3  HIS  23           1HB      HIS  23  10.738  -6.860  -1.111
  169    HD1  HIS  23           1HD      HIS  23   9.959  -6.993   2.617
  170    HD2  HIS  23           2HD      HIS  23  10.993  -4.145  -0.286
  171    HE1  HIS  23           1HE      HIS  23  10.537  -4.808   3.811
  172    H    HIS  24           H        HIS  24   7.484  -5.497   0.959
  173    HA   HIS  24           HA       HIS  24   6.489  -7.505   2.739
  174    HB2  HIS  24           2HB      HIS  24   7.335  -5.283   3.546
  175    HB3  HIS  24           1HB      HIS  24   6.018  -4.468   2.644
  176    HD1  HIS  24           1HD      HIS  24   5.534  -3.593   5.222
  177    HD2  HIS  24           2HD      HIS  24   4.648  -7.631   4.493
  178    HE1  HIS  24           1HE      HIS  24   4.007  -4.427   7.092
  179    HN1  NH2  25           1H       NH2  25   3.496  -5.735   0.391
  180    HN2  NH2  25           2H       NH2  25   4.986  -4.896   0.675