*HEADER    HORMONE/GROWTH FACTOR                   12-MAY-03   1P9J              
*TITLE     SOLUTION STRUCTURE AND DYNAMICS OF THE EGF/TGF-ALPHA                  
*TITLE    2 CHIMERA T1E                                                          
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: CHIMERA OF EPIDERMAL GROWTH FACTOR(EGF) AND                
*COMPND   3 TRANSFORMING GROWTH FACTOR ALPHA (TGF-ALPHA);                        
*COMPND   4 CHAIN: A;                                                            
*COMPND   5 FRAGMENT: TGF-ALPHA (RESIDUES 1-7), EGF (RESIDUES 8-54);             
*COMPND   6 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   4 GENE: TGF-ALPHA AND EGF;                                             
*SOURCE   5 EXPRESSION_SYSTEM: PICHIA PASTORIS;                                  
*SOURCE   6 EXPRESSION_SYSTEM_COMMON: FUNGUS;                                    
*SOURCE   7 EXPRESSION_SYSTEM_STRAIN: X33                                        
*KEYWDS    CHIMERA, EGF, TGF-ALPHA, ERBB1, ERBB3                                 
*EXPDTA    NMR, 36 STRUCTURES                                                    
*AUTHOR    M.WINGENS, T.WALMA, H.VAN INGEN, C.STORTELERS, J.E.VAN                
*AUTHOR   2 LEEUWEN, E.J.VAN ZOELEN, G.W.VUISTER                                 
*REVDAT   1   07-OCT-03 1P9J    0                                                

assi ( resid   1 and name   HA ) ( resid   1 and name  HT* )  5.0 5.0 0 
assi ( resid   1 and name   HB ) ( resid   1 and name   HA )  7.0 7.0 0 
assi ( resid   1 and name   HB ) ( resid   1 and name  HT* )  3.5 3.5 0 
assi ( resid   1 and name   HB ) ( resid   1 and name  HG* )  3.5 3.5 0 
assi ( resid   1 and name  HG* ) ( resid   1 and name   HA )  7.0 7.0 0 
assi ( resid   1 and name  HG* ) ( resid   1 and name  HT* )  5.0 5.0 0 
assi ( resid   1 and name  HT* ) ( resid  28 and name   HA )  3.5 3.5 0 
assi ( resid   2 and name   HA ) ( resid   2 and name   HB )  5.0 5.0 0 
assi ( resid   2 and name   HA ) ( resid   2 and name   HN )  2.8 2.8 0 
assi ( resid   2 and name   HA ) ( resid   2 and name  HG* )  3.5 3.5 0 
assi ( resid   2 and name   HB ) ( resid   2 and name   HN )  3.5 3.5 0 
assi ( resid   2 and name   HB ) ( resid   2 and name  HG* )  3.5 3.5 0 
assi ( resid   2 and name  HG* ) ( resid   2 and name   HN )  3.5 3.5 0 
assi ( resid   2 and name   HA ) ( resid   3 and name   HN )  3.5 3.5 0 
assi ( resid   2 and name   HB ) ( resid   3 and name   HN )  5.0 5.0 0 
assi ( resid   2 and name  HG* ) ( resid   3 and name   HN )  5.0 5.0 0 
assi ( resid   2 and name   HN ) ( resid  28 and name  HD* )  7.0 7.0 0 
assi ( resid   3 and name   HA ) ( resid   3 and name   HN )  7.0 7.0 0 
assi ( resid   3 and name   HA ) ( resid   3 and name  HB* )  7.0 7.0 0 
assi ( resid   3 and name  HB* ) ( resid   3 and name   HN )  7.0 7.0 0 
assi ( resid   3 and name   HN ) ( resid  28 and name  HD* )  7.0 7.0 0 
assi ( resid   4 and name   HA ) ( resid   4 and name   HN )  5.0 5.0 0 
assi ( resid   4 and name   HA ) ( resid   4 and name  HB* )  5.0 5.0 0 
assi ( resid   4 and name   HN ) ( resid   4 and name  HD* )  5.0 5.0 0 
assi ( resid   4 and name  HB* ) ( resid   4 and name   HN )  7.0 7.0 0 
assi ( resid   5 and name   HA ) ( resid   5 and name   HN )  5.0 5.0 0 
assi ( resid   5 and name   HA ) ( resid   5 and name  HB* )  3.5 3.5 0 
assi ( resid   5 and name   HA ) ( resid   5 and name  HD* )  3.5 3.5 0 
assi ( resid   5 and name   HA ) ( resid   5 and name  HE* )  7.0 7.0 0 
assi ( resid   5 and name  HB* ) ( resid   5 and name   HN )  5.0 5.0 0 
assi ( resid   5 and name  HB* ) ( resid   5 and name  HD* )  2.8 2.8 0 
assi ( resid   5 and name  HB* ) ( resid   5 and name  HE* )  7.0 7.0 0 
assi ( resid   5 and name  HD* ) ( resid   5 and name   HN )  5.0 5.0 0 
assi ( resid   5 and name  HD* ) ( resid   5 and name  HE* )  2.8 2.8 0 
assi ( resid   5 and name   HA ) ( resid   6 and name   HN )  2.8 2.8 0 
assi ( resid   5 and name   HN ) ( resid   6 and name   HN )  5.0 5.0 0 
assi ( resid   5 and name  HB* ) ( resid   6 and name   HN )  5.0 5.0 0 
assi ( resid   5 and name  HD* ) ( resid  23 and name  HB* )  5.0 5.0 0 
assi ( resid   5 and name  HD* ) ( resid  23 and name  HG* )  7.0 7.0 0 
assi ( resid   5 and name  HE* ) ( resid  23 and name  HB* )  7.0 7.0 0 
assi ( resid   5 and name  HE* ) ( resid  23 and name  HG* )  5.0 5.0 0 
assi ( resid   6 and name   HA ) ( resid   6 and name   HN )  5.0 5.0 0 
assi ( resid   6 and name   HA ) ( resid   6 and name  HB* )  5.0 5.0 0 
assi ( resid   6 and name  HB* ) ( resid   6 and name   HN )  5.0 5.0 0 
assi ( resid   6 and name  HB* ) ( resid   6 and name  HD* )  7.0 7.0 0 
assi ( resid   6 and name   HA ) ( resid   7 and name   HN )  3.5 3.5 0 
assi ( resid   6 and name   HN ) ( resid   7 and name   HN )  7.0 7.0 0 
assi ( resid   6 and name  HB* ) ( resid   7 and name   HN )  5.0 5.0 0 
assi ( resid   6 and name   HN ) ( resid  24 and name   HN )  7.0 7.0 0 
assi ( resid   6 and name  HB* ) ( resid  24 and name   HN )  7.0 7.0 0 
assi ( resid   6 and name  HB* ) ( resid  24 and name  HD* )  7.0 7.0 0 
assi ( resid   7 and name   HA ) ( resid   7 and name   HN )  3.5 3.5 0 
assi ( resid   7 and name   HA ) ( resid   7 and name  HB* )  5.0 5.0 0 
assi ( resid   7 and name  HB* ) ( resid   7 and name   HN )  5.0 5.0 0 
assi ( resid   7 and name   HN ) ( resid   8 and name   HN )  5.0 5.0 0 
assi ( resid   7 and name  HB* ) ( resid   8 and name   HN )  7.0 7.0 0 
assi ( resid   8 and name   HA ) ( resid   8 and name   HN )  7.0 7.0 0 
assi ( resid   8 and name   HA ) ( resid   8 and name  HB* )  3.5 3.5 0 
assi ( resid   8 and name  HB* ) ( resid   8 and name   HN )  7.0 7.0 0 
assi ( resid   8 and name   HA ) ( resid   9 and name  HD* )  3.5 3.5 0 
assi ( resid   9 and name   HA ) ( resid   9 and name  HB* )  3.5 3.5 0 
assi ( resid   9 and name   HA ) ( resid   9 and name  HG* )  5.0 5.0 0 
assi ( resid   9 and name  HD* ) ( resid   9 and name  HB* )  7.0 7.0 0 
assi ( resid   9 and name  HG* ) ( resid   9 and name  HB* )  3.5 3.5 0 
assi ( resid   9 and name  HG* ) ( resid   9 and name  HD* )  3.5 3.5 0 
assi ( resid   9 and name   HA ) ( resid  10 and name   HN )  3.5 3.5 0 
assi ( resid   9 and name  HB* ) ( resid  10 and name   HN )  7.0 7.0 0 
assi ( resid   9 and name  HB* ) ( resid  11 and name   HN )  7.0 7.0 0 
assi ( resid  10 and name   HA ) ( resid  10 and name   HN )  3.5 3.5 0 
assi ( resid  10 and name   HA ) ( resid  10 and name  HB* )  3.5 3.5 0 
assi ( resid  10 and name  HB* ) ( resid  10 and name   HN )  2.8 2.8 0 
assi ( resid  10 and name  HD* ) ( resid  10 and name   HA )  7.0 7.0 0 
assi ( resid  10 and name  HD* ) ( resid  10 and name   HN )  7.0 7.0 0 
assi ( resid  10 and name  HD* ) ( resid  10 and name  HB* )  2.8 2.8 0 
assi ( resid  10 and name   HA ) ( resid  11 and name   HN )  3.5 3.5 0 
assi ( resid  10 and name   HN ) ( resid  11 and name   HN )  7.0 7.0 0 
assi ( resid  10 and name  HB* ) ( resid  11 and name   HN )  3.5 3.5 0 
assi ( resid  10 and name  HD* ) ( resid  11 and name   HN )  7.0 7.0 0 
assi ( resid  11 and name   HA ) ( resid  11 and name   HN )  3.5 3.5 0 
assi ( resid  11 and name  HB* ) ( resid  11 and name   HA )  3.5 3.5 0 
assi ( resid  11 and name  HB* ) ( resid  11 and name   HN )  5.0 5.0 0 
assi ( resid  12 and name   HA ) ( resid  12 and name   HN )  7.0 7.0 0 
assi ( resid  12 and name  HB* ) ( resid  12 and name   HN )  7.0 7.0 0 
assi ( resid  13 and name   HA ) ( resid  13 and name   HN )  3.5 3.5 0 
assi ( resid  13 and name   HA ) ( resid  13 and name  HB* )  2.8 2.8 0 
assi ( resid  13 and name  HB* ) ( resid  13 and name   HN )  5.0 5.0 0 
assi ( resid  13 and name   HA ) ( resid  14 and name   HN )  2.8 2.8 0 
assi ( resid  13 and name   HA ) ( resid  14 and name  HA* )  7.0 7.0 0 
assi ( resid  13 and name   HN ) ( resid  14 and name   HN )  7.0 7.0 0 
assi ( resid  13 and name  HB* ) ( resid  14 and name   HN )  7.0 7.0 0 
assi ( resid  13 and name   HA ) ( resid  15 and name   HN )  5.0 5.0 0 
assi ( resid  13 and name   HA ) ( resid  15 and name  HB* )  7.0 7.0 0 
assi ( resid  13 and name  HB* ) ( resid  20 and name   HN )  7.0 7.0 0 
assi ( resid  14 and name  HA* ) ( resid  14 and name   HN )  2.8 2.8 0 
assi ( resid  14 and name   HN ) ( resid  15 and name   HN )  5.0 5.0 0 
assi ( resid  14 and name  HA* ) ( resid  15 and name   HN )  3.5 3.5 0 
assi ( resid  14 and name  HA* ) ( resid  16 and name   HN )  5.0 5.0 0 
assi ( resid  15 and name   HA ) ( resid  15 and name   HN )  5.0 5.0 0 
assi ( resid  15 and name   HA ) ( resid  15 and name  HB* )  3.5 3.5 0 
assi ( resid  15 and name   HA ) ( resid  15 and name  HD* )  3.5 3.5 0 
assi ( resid  15 and name  HB* ) ( resid  15 and name   HN )  3.5 3.5 0 
assi ( resid  15 and name  HB* ) ( resid  15 and name  HD* )  2.8 2.8 0 
assi ( resid  15 and name  HB* ) ( resid  15 and name  HE* )  5.0 5.0 0 
assi ( resid  15 and name  HD* ) ( resid  15 and name   HN )  5.0 5.0 0 
assi ( resid  15 and name  HE* ) ( resid  15 and name   HN )  7.0 7.0 0 
assi ( resid  15 and name  HE* ) ( resid  15 and name  HD* )  2.8 2.8 0 
assi ( resid  15 and name   HA ) ( resid  16 and name   HN )  5.0 5.0 0 
assi ( resid  15 and name   HN ) ( resid  16 and name   HN )  5.0 5.0 0 
assi ( resid  15 and name   HN ) ( resid  16 and name  HB* )  5.0 5.0 0 
assi ( resid  15 and name  HB* ) ( resid  16 and name   HN )  5.0 5.0 0 
assi ( resid  15 and name  HD* ) ( resid  16 and name   HA )  7.0 7.0 0 
assi ( resid  15 and name  HD* ) ( resid  16 and name   HN )  7.0 7.0 0 
assi ( resid  15 and name   HN ) ( resid  17 and name  HD* )  7.0 7.0 0 
assi ( resid  15 and name  HD* ) ( resid  17 and name  HD* )  7.0 7.0 0 
assi ( resid  15 and name  HE* ) ( resid  17 and name  HD* )  5.0 5.0 0 
assi ( resid  16 and name   HA ) ( resid  16 and name   HN )  5.0 5.0 0 
assi ( resid  16 and name  HB* ) ( resid  16 and name   HN )  5.0 5.0 0 
assi ( resid  16 and name   HA ) ( resid  17 and name   HN )  2.8 2.8 0 
assi ( resid  16 and name   HA ) ( resid  17 and name  HB* )  5.0 5.0 0 
assi ( resid  16 and name  HB* ) ( resid  17 and name   HN )  7.0 7.0 0 
assi ( resid  17 and name   HA ) ( resid  17 and name   HN )  3.5 3.5 0 
assi ( resid  17 and name  HB* ) ( resid  17 and name   HA )  7.0 7.0 0 
assi ( resid  17 and name  HB* ) ( resid  17 and name   HN )  3.5 3.5 0 
assi ( resid  17 and name  HB* ) ( resid  17 and name  HD* )  3.5 3.5 0 
assi ( resid  17 and name  HD* ) ( resid  17 and name   HA )  5.0 5.0 0 
assi ( resid  17 and name  HD* ) ( resid  17 and name   HN )  3.5 3.5 0 
assi ( resid  17 and name   HA ) ( resid  18 and name   HA )  7.0 7.0 0 
assi ( resid  17 and name   HA ) ( resid  18 and name   HN )  2.8 2.8 0 
assi ( resid  17 and name   HN ) ( resid  18 and name   HN )  7.0 7.0 0 
assi ( resid  17 and name  HB* ) ( resid  18 and name   HN )  5.0 5.0 0 
assi ( resid  17 and name  HD* ) ( resid  18 and name   HN )  3.5 3.5 0 
assi ( resid  17 and name   HA ) ( resid  19 and name   HN )  5.0 5.0 0 
assi ( resid  17 and name  HB* ) ( resid  19 and name   HN )  5.0 5.0 0 
assi ( resid  17 and name   HN ) ( resid  43 and name  HB* )  5.0 5.0 0 
assi ( resid  17 and name  HD* ) ( resid  43 and name   HA )  5.0 5.0 0 
assi ( resid  17 and name  HD* ) ( resid  43 and name   HE )  5.0 5.0 0 
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assi ( resid  17 and name  HD* ) ( resid  43 and name  HB* )  5.0 5.0 0 
assi ( resid  17 and name  HD* ) ( resid  43 and name  HD* )  7.0 7.0 0 
assi ( resid  17 and name  HD* ) ( resid  43 and name  HG* )  7.0 7.0 0 
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assi ( resid  17 and name   HA ) ( resid  45 and name  HE* )  7.0 7.0 0 
assi ( resid  17 and name  HD* ) ( resid  45 and name   HN )  5.0 5.0 0 
assi ( resid  17 and name  HD* ) ( resid  45 and name  HB* )  3.5 3.5 0 
assi ( resid  17 and name  HD* ) ( resid  45 and name  HE* )  5.0 5.0 0 
assi ( resid  17 and name  HD* ) ( resid  45 and name  HG* )  5.0 5.0 0 
assi ( resid  18 and name   HA ) ( resid  18 and name   HN )  2.8 2.8 0 
assi ( resid  18 and name  HB* ) ( resid  18 and name   HA )  7.0 7.0 0 
assi ( resid  18 and name  HB* ) ( resid  18 and name   HN )  7.0 7.0 0 
assi ( resid  18 and name   HA ) ( resid  19 and name   HN )  3.5 3.5 0 
assi ( resid  18 and name   HN ) ( resid  19 and name   HA )  7.0 7.0 0 
assi ( resid  18 and name   HN ) ( resid  19 and name   HN )  3.5 3.5 0 
assi ( resid  18 and name  HB* ) ( resid  19 and name   HN )  7.0 7.0 0 
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assi ( resid  18 and name   HN ) ( resid  45 and name  HE* )  7.0 7.0 0 
assi ( resid  19 and name   HA ) ( resid  19 and name   HN )  2.8 2.8 0 
assi ( resid  19 and name  HB* ) ( resid  19 and name   HA )  3.5 3.5 0 
assi ( resid  19 and name  HB* ) ( resid  19 and name   HN )  3.5 3.5 0 
assi ( resid  19 and name   HA ) ( resid  20 and name   HN )  3.5 3.5 0 
assi ( resid  19 and name   HN ) ( resid  20 and name   HN )  3.5 3.5 0 
assi ( resid  19 and name  HB* ) ( resid  20 and name   HN )  5.0 5.0 0 
assi ( resid  20 and name  HA* ) ( resid  20 and name   HN )  3.5 3.5 0 
assi ( resid  20 and name   HN ) ( resid  21 and name   HN )  7.0 7.0 0 
assi ( resid  20 and name  HA* ) ( resid  21 and name   HN )  3.5 3.5 0 
assi ( resid  20 and name  HA* ) ( resid  22 and name  HB* )  5.0 5.0 0 
assi ( resid  20 and name   HN ) ( resid  36 and name  HG* )  7.0 7.0 0 
assi ( resid  20 and name  HA* ) ( resid  36 and name   HN )  5.0 5.0 0 
assi ( resid  21 and name   HA ) ( resid  21 and name   HB )  5.0 5.0 0 
assi ( resid  21 and name   HA ) ( resid  21 and name   HN )  2.8 2.8 0 
assi ( resid  21 and name   HA ) ( resid  21 and name  HG* )  2.8 2.8 0 
assi ( resid  21 and name   HB ) ( resid  21 and name   HN )  3.5 3.5 0 
assi ( resid  21 and name  HG* ) ( resid  21 and name   HB )  2.8 2.8 0 
assi ( resid  21 and name  HG* ) ( resid  21 and name   HN )  3.5 3.5 0 
assi ( resid  21 and name   HA ) ( resid  22 and name   HN )  2.8 2.8 0 
assi ( resid  21 and name   HB ) ( resid  22 and name   HN )  5.0 5.0 0 
assi ( resid  21 and name   HN ) ( resid  22 and name   HN )  7.0 7.0 0 
assi ( resid  21 and name  HG* ) ( resid  22 and name   HN )  3.5 3.5 0 
assi ( resid  21 and name  HG* ) ( resid  23 and name  HG* )  7.0 7.0 0 
assi ( resid  21 and name   HA ) ( resid  34 and name   HN )  7.0 7.0 0 
assi ( resid  21 and name   HB ) ( resid  34 and name   HN )  5.0 5.0 0 
assi ( resid  21 and name   HB ) ( resid  34 and name  HB* )  3.5 3.5 0 
assi ( resid  21 and name   HN ) ( resid  34 and name   HN )  5.0 5.0 0 
assi ( resid  21 and name  HG* ) ( resid  34 and name   HN )  5.0 5.0 0 
assi ( resid  21 and name  HG* ) ( resid  34 and name  HB* )  5.0 5.0 0 
assi ( resid  21 and name  HG* ) ( resid  34 and name  HD* )  5.0 5.0 0 
assi ( resid  22 and name   HA ) ( resid  22 and name   HN )  3.5 3.5 0 
assi ( resid  22 and name   HA ) ( resid  22 and name  HB* )  5.0 5.0 0 
assi ( resid  22 and name  HB* ) ( resid  22 and name   HN )  2.8 2.8 0 
assi ( resid  22 and name   HA ) ( resid  23 and name   HN )  2.8 2.8 0 
assi ( resid  22 and name   HN ) ( resid  23 and name   HN )  7.0 7.0 0 
assi ( resid  22 and name  HB* ) ( resid  23 and name   HN )  7.0 7.0 0 
assi ( resid  23 and name   HA ) ( resid  23 and name   HN )  3.5 3.5 0 
assi ( resid  23 and name   HA ) ( resid  23 and name  HB* )  2.8 2.8 0 
assi ( resid  23 and name   HA ) ( resid  23 and name  HG* )  3.5 3.5 0 
assi ( resid  23 and name  HB* ) ( resid  23 and name   HN )  3.5 3.5 0 
assi ( resid  23 and name  HG* ) ( resid  23 and name   HN )  5.0 5.0 0 
assi ( resid  23 and name  HG* ) ( resid  23 and name  HB* )  2.8 2.8 0 
assi ( resid  23 and name   HA ) ( resid  24 and name   HN )  2.8 2.8 0 
assi ( resid  23 and name   HN ) ( resid  24 and name   HN )  7.0 7.0 0 
assi ( resid  23 and name  HB* ) ( resid  24 and name   HN )  3.5 3.5 0 
assi ( resid  23 and name  HG* ) ( resid  24 and name   HN )  5.0 5.0 0 
assi ( resid  23 and name   HN ) ( resid  32 and name  HB* )  5.0 5.0 0 
assi ( resid  23 and name  HB* ) ( resid  32 and name   HN )  7.0 7.0 0 
assi ( resid  23 and name  HG* ) ( resid  32 and name   HN )  7.0 7.0 0 
assi ( resid  23 and name  HG* ) ( resid  32 and name  HB* )  5.0 5.0 0 
assi ( resid  23 and name   HN ) ( resid  33 and name   HA )  7.0 7.0 0 
assi ( resid  23 and name  HG* ) ( resid  33 and name  HB* )  7.0 7.0 0 
assi ( resid  23 and name  HG* ) ( resid  34 and name   HN )  7.0 7.0 0 
assi ( resid  23 and name  HG* ) ( resid  34 and name  HB* )  7.0 7.0 0 
assi ( resid  24 and name   HA ) ( resid  24 and name   HN )  7.0 7.0 0 
assi ( resid  24 and name   HA ) ( resid  24 and name  HB* )  5.0 5.0 0 
assi ( resid  24 and name   HA ) ( resid  24 and name  HD* )  3.5 3.5 0 
assi ( resid  24 and name   HA ) ( resid  24 and name  HE* )  7.0 7.0 0 
assi ( resid  24 and name  HB* ) ( resid  24 and name   HN )  2.8 2.8 0 
assi ( resid  24 and name  HB* ) ( resid  24 and name  HD* )  2.8 2.8 0 
assi ( resid  24 and name  HB* ) ( resid  24 and name  HE* )  3.5 3.5 0 
assi ( resid  24 and name  HD* ) ( resid  24 and name   HN )  5.0 5.0 0 
assi ( resid  24 and name  HE* ) ( resid  24 and name   HN )  7.0 7.0 0 
assi ( resid  24 and name  HE* ) ( resid  24 and name  HD* )  2.8 2.8 0 
assi ( resid  24 and name   HA ) ( resid  25 and name   HN )  2.8 2.8 0 
assi ( resid  24 and name   HN ) ( resid  25 and name   HN )  7.0 7.0 0 
assi ( resid  24 and name  HB* ) ( resid  25 and name   HN )  5.0 5.0 0 
assi ( resid  24 and name  HD* ) ( resid  25 and name   HA )  7.0 7.0 0 
assi ( resid  24 and name  HD* ) ( resid  25 and name   HB )  7.0 7.0 0 
assi ( resid  24 and name  HD* ) ( resid  25 and name   HN )  3.5 3.5 0 
assi ( resid  24 and name  HE* ) ( resid  25 and name   HA )  7.0 7.0 0 
assi ( resid  24 and name  HE* ) ( resid  25 and name   HN )  7.0 7.0 0 
assi ( resid  24 and name  HD* ) ( resid  26 and name   HA )  5.0 5.0 0 
assi ( resid  24 and name  HD* ) ( resid  26 and name   HN )  7.0 7.0 0 
assi ( resid  24 and name  HD* ) ( resid  26 and name  HB* )  7.0 7.0 0 
assi ( resid  24 and name  HD* ) ( resid  26 and name  HG* )  7.0 7.0 0 
assi ( resid  24 and name  HE* ) ( resid  26 and name   HA )  3.5 3.5 0 
assi ( resid  24 and name  HE* ) ( resid  26 and name   HN )  7.0 7.0 0 
assi ( resid  24 and name  HE* ) ( resid  26 and name  HB* )  5.0 5.0 0 
assi ( resid  24 and name  HE* ) ( resid  26 and name  HG* )  5.0 5.0 0 
assi ( resid  24 and name  HD* ) ( resid  29 and name   HA )  7.0 7.0 0 
assi ( resid  24 and name  HE* ) ( resid  29 and name   HA )  5.0 5.0 0 
assi ( resid  24 and name  HE* ) ( resid  29 and name   HN )  5.0 5.0 0 
assi ( resid  24 and name  HD* ) ( resid  30 and name   HA )  7.0 7.0 0 
assi ( resid  24 and name  HD* ) ( resid  30 and name   HN )  7.0 7.0 0 
assi ( resid  24 and name  HE* ) ( resid  30 and name   HA )  7.0 7.0 0 
assi ( resid  24 and name  HE* ) ( resid  30 and name   HN )  5.0 5.0 0 
assi ( resid  24 and name   HN ) ( resid  31 and name   HA )  7.0 7.0 0 
assi ( resid  24 and name   HN ) ( resid  31 and name  HD* )  7.0 7.0 0 
assi ( resid  24 and name   HN ) ( resid  31 and name  HE* )  7.0 7.0 0 
assi ( resid  24 and name  HD* ) ( resid  31 and name   HA )  5.0 5.0 0 
assi ( resid  24 and name  HD* ) ( resid  31 and name   HN )  7.0 7.0 0 
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assi ( resid  43 and name  HB* ) ( resid  43 and name   HN )  3.5 3.5 0 
assi ( resid  43 and name  HD* ) ( resid  43 and name   HE )  7.0 7.0 0 
assi ( resid  43 and name  HD* ) ( resid  43 and name  HB* )  5.0 5.0 0 
assi ( resid  43 and name  HG* ) ( resid  43 and name   HN )  5.0 5.0 0 
assi ( resid  43 and name  HG* ) ( resid  43 and name  HB* )  3.5 3.5 0 
assi ( resid  43 and name  HG* ) ( resid  43 and name  HD* )  5.0 5.0 0 
assi ( resid  43 and name   HA ) ( resid  44 and name   HN )  5.0 5.0 0 
assi ( resid  43 and name   HN ) ( resid  44 and name   HN )  2.8 2.8 0 
assi ( resid  43 and name  HB* ) ( resid  44 and name   HN )  7.0 7.0 0 
assi ( resid  43 and name  HG* ) ( resid  44 and name   HN )  7.0 7.0 0 
assi ( resid  43 and name   HN ) ( resid  45 and name   HN )  5.0 5.0 0 
assi ( resid  43 and name   HN ) ( resid  45 and name  HE* )  7.0 7.0 0 
assi ( resid  43 and name  HG* ) ( resid  45 and name   HN )  3.5 3.5 0 
assi ( resid  43 and name  HG* ) ( resid  45 and name  HB* )  5.0 5.0 0 
assi ( resid  43 and name  HG* ) ( resid  45 and name  HE* )  5.0 5.0 0 
assi ( resid  43 and name  HG* ) ( resid  45 and name  HG* )  3.5 3.5 0 
assi ( resid  44 and name   HA ) ( resid  44 and name   HN )  2.8 2.8 0 
assi ( resid  44 and name  HB* ) ( resid  44 and name   HA )  7.0 7.0 0 
assi ( resid  44 and name  HB* ) ( resid  44 and name   HN )  7.0 7.0 0 
assi ( resid  44 and name   HA ) ( resid  45 and name   HN )  3.5 3.5 0 
assi ( resid  44 and name   HN ) ( resid  45 and name   HN )  3.5 3.5 0 
assi ( resid  45 and name   HA ) ( resid  45 and name   HN )  3.5 3.5 0 
assi ( resid  45 and name   HA ) ( resid  45 and name  HE* )  5.0 5.0 0 
assi ( resid  45 and name  HB* ) ( resid  45 and name   HA )  5.0 5.0 0 
assi ( resid  45 and name  HB* ) ( resid  45 and name   HN )  5.0 5.0 0 
assi ( resid  45 and name  HB* ) ( resid  45 and name  HE* )  7.0 7.0 0 
assi ( resid  45 and name  HE* ) ( resid  45 and name   HN )  7.0 7.0 0 
assi ( resid  45 and name  HG* ) ( resid  45 and name   HA )  7.0 7.0 0 
assi ( resid  45 and name  HG* ) ( resid  45 and name   HN )  5.0 5.0 0 
assi ( resid  45 and name  HG* ) ( resid  45 and name  HB* )  3.5 3.5 0 
assi ( resid  45 and name  HG* ) ( resid  45 and name  HE* )  5.0 5.0 0 
assi ( resid  45 and name   HA ) ( resid  46 and name   HN )  5.0 5.0 0 
assi ( resid  45 and name   HN ) ( resid  46 and name   HN )  3.5 3.5 0 
assi ( resid  45 and name   HN ) ( resid  46 and name  HD* )  7.0 7.0 0 
assi ( resid  45 and name  HB* ) ( resid  46 and name   HN )  5.0 5.0 0 
assi ( resid  45 and name  HB* ) ( resid  46 and name  HD* )  3.5 3.5 0 
assi ( resid  45 and name  HB* ) ( resid  46 and name  HE* )  5.0 5.0 0 
assi ( resid  45 and name  HE* ) ( resid  46 and name  HD* )  5.0 5.0 0 
assi ( resid  45 and name  HE* ) ( resid  46 and name  HE* )  5.0 5.0 0 
assi ( resid  46 and name   HA ) ( resid  46 and name   HN )  3.5 3.5 0 
assi ( resid  46 and name   HA ) ( resid  46 and name  HB* )  5.0 5.0 0 
assi ( resid  46 and name   HA ) ( resid  46 and name  HD* )  3.5 3.5 0 
assi ( resid  46 and name   HA ) ( resid  46 and name  HE* )  5.0 5.0 0 
assi ( resid  46 and name   HN ) ( resid  46 and name  HE* )  7.0 7.0 0 
assi ( resid  46 and name  HB* ) ( resid  46 and name   HN )  5.0 5.0 0 
assi ( resid  46 and name  HB* ) ( resid  46 and name  HD* )  2.8 2.8 0 
assi ( resid  46 and name  HB* ) ( resid  46 and name  HE* )  5.0 5.0 0 
assi ( resid  46 and name  HD* ) ( resid  46 and name   HN )  5.0 5.0 0 
assi ( resid  46 and name  HD* ) ( resid  46 and name  HE* )  2.8 2.8 0 
assi ( resid  46 and name   HA ) ( resid  47 and name   HN )  3.5 3.5 0 
assi ( resid  46 and name  HB* ) ( resid  47 and name   HN )  3.5 3.5 0 
assi ( resid  46 and name  HD* ) ( resid  47 and name   HN )  5.0 5.0 0 
assi ( resid  46 and name  HB* ) ( resid  48 and name   HN )  7.0 7.0 0 
assi ( resid  47 and name   HA ) ( resid  47 and name   HN )  5.0 5.0 0 
assi ( resid  47 and name   HA ) ( resid  47 and name  HB* )  5.0 5.0 0 
assi ( resid  47 and name   HA ) ( resid  47 and name  HD* )  5.0 5.0 0 
assi ( resid  47 and name   HA ) ( resid  47 and name  HG* )  3.5 3.5 0 
assi ( resid  47 and name  HB* ) ( resid  47 and name   HN )  3.5 3.5 0 
assi ( resid  47 and name  HB* ) ( resid  47 and name  HD* )  5.0 5.0 0 
assi ( resid  47 and name  HB* ) ( resid  47 and name  HG* )  5.0 5.0 0 
assi ( resid  47 and name  HD* ) ( resid  47 and name   HN )  7.0 7.0 0 
assi ( resid  47 and name  HG* ) ( resid  47 and name   HN )  5.0 5.0 0 
assi ( resid  47 and name  HG* ) ( resid  47 and name  HD* )  3.5 3.5 0 
assi ( resid  47 and name   HA ) ( resid  48 and name   HN )  2.8 2.8 0 
assi ( resid  47 and name   HN ) ( resid  48 and name   HN )  7.0 7.0 0 
assi ( resid  47 and name  HB* ) ( resid  48 and name   HN )  5.0 5.0 0 
assi ( resid  47 and name  HD* ) ( resid  48 and name   HN )  7.0 7.0 0 
assi ( resid  47 and name  HG* ) ( resid  48 and name   HN )  5.0 5.0 0 
assi ( resid  47 and name  HB* ) ( resid  52 and name  HE1 )  7.0 7.0 0 
assi ( resid  47 and name  HG* ) ( resid  52 and name  HE1 )  7.0 7.0 0 
assi ( resid  48 and name   HA ) ( resid  48 and name   HN )  3.5 3.5 0 
assi ( resid  48 and name   HA ) ( resid  48 and name  HB* )  3.5 3.5 0 
assi ( resid  48 and name  HB* ) ( resid  48 and name   HN )  3.5 3.5 0 
assi ( resid  48 and name   HA ) ( resid  49 and name   HN )  2.8 2.8 0 
assi ( resid  48 and name   HA ) ( resid  49 and name  HB* )  7.0 7.0 0 
assi ( resid  48 and name  HB* ) ( resid  49 and name   HN )  7.0 7.0 0 
assi ( resid  48 and name   HA ) ( resid  50 and name   HN )  5.0 5.0 0 
assi ( resid  48 and name   HN ) ( resid  52 and name  HD1 )  7.0 7.0 0 
assi ( resid  48 and name   HN ) ( resid  52 and name  HE1 )  5.0 5.0 0 
assi ( resid  49 and name   HA ) ( resid  49 and name   HN )  3.5 3.5 0 
assi ( resid  49 and name  HB* ) ( resid  49 and name   HA )  5.0 5.0 0 
assi ( resid  49 and name  HB* ) ( resid  49 and name   HN )  3.5 3.5 0 
assi ( resid  49 and name  HD* ) ( resid  49 and name   HA )  3.5 3.5 0 
assi ( resid  49 and name  HD* ) ( resid  49 and name   HN )  5.0 5.0 0 
assi ( resid  49 and name  HD* ) ( resid  49 and name  HB* )  3.5 3.5 0 
assi ( resid  49 and name   HA ) ( resid  50 and name   HN )  3.5 3.5 0 
assi ( resid  49 and name   HN ) ( resid  50 and name   HN )  5.0 5.0 0 
assi ( resid  49 and name  HB* ) ( resid  50 and name   HN )  5.0 5.0 0 
assi ( resid  49 and name  HD* ) ( resid  50 and name   HN )  5.0 5.0 0 
assi ( resid  49 and name   HA ) ( resid  51 and name   HN )  7.0 7.0 0 
assi ( resid  49 and name   HA ) ( resid  52 and name   HN )  7.0 7.0 0 
assi ( resid  49 and name   HA ) ( resid  52 and name  HD1 )  3.5 3.5 0 
assi ( resid  50 and name   HA ) ( resid  50 and name   HN )  3.5 3.5 0 
assi ( resid  50 and name  HB* ) ( resid  50 and name   HA )  7.0 7.0 0 
assi ( resid  50 and name  HB* ) ( resid  50 and name   HN )  5.0 5.0 0 
assi ( resid  50 and name  HB* ) ( resid  50 and name  HE* )  3.5 3.5 0 
assi ( resid  50 and name  HB* ) ( resid  50 and name  HG* )  3.5 3.5 0 
assi ( resid  50 and name  HD* ) ( resid  50 and name   HA )  3.5 3.5 0 
assi ( resid  50 and name  HD* ) ( resid  50 and name   HN )  3.5 3.5 0 
assi ( resid  50 and name  HD* ) ( resid  50 and name  HB* )  2.8 2.8 0 
assi ( resid  50 and name  HD* ) ( resid  50 and name  HE* )  7.0 7.0 0 
assi ( resid  50 and name  HG* ) ( resid  50 and name   HA )  5.0 5.0 0 
assi ( resid  50 and name  HG* ) ( resid  50 and name   HN )  3.5 3.5 0 
assi ( resid  50 and name  HG* ) ( resid  50 and name  HD* )  3.5 3.5 0 
assi ( resid  50 and name  HG* ) ( resid  50 and name  HE* )  7.0 7.0 0 
assi ( resid  50 and name   HA ) ( resid  51 and name   HN )  3.5 3.5 0 
assi ( resid  50 and name   HN ) ( resid  51 and name   HN )  3.5 3.5 0 
assi ( resid  50 and name  HB* ) ( resid  51 and name   HN )  5.0 5.0 0 
assi ( resid  50 and name  HD* ) ( resid  51 and name   HN )  5.0 5.0 0 
assi ( resid  50 and name  HG* ) ( resid  51 and name   HN )  7.0 7.0 0 
assi ( resid  51 and name   HA ) ( resid  51 and name   HN )  3.5 3.5 0 
assi ( resid  51 and name   HA ) ( resid  51 and name  HD1 )  5.0 5.0 0 
assi ( resid  51 and name  HB* ) ( resid  51 and name   HA )  3.5 3.5 0 
assi ( resid  51 and name  HB* ) ( resid  51 and name   HN )  2.8 2.8 0 
assi ( resid  51 and name  HB* ) ( resid  51 and name  HD1 )  2.8 2.8 0 
assi ( resid  51 and name  HB* ) ( resid  51 and name  HE1 )  7.0 7.0 0 
assi ( resid  51 and name  HD1 ) ( resid  51 and name   HN )  5.0 5.0 0 
assi ( resid  51 and name  HD1 ) ( resid  51 and name  HE1 )  5.0 5.0 0 
assi ( resid  51 and name  HZ2 ) ( resid  51 and name  HD1 )  5.0 5.0 0 
assi ( resid  51 and name  HZ2 ) ( resid  51 and name  HE1 )  5.0 5.0 0 
assi ( resid  51 and name   HA ) ( resid  52 and name   HN )  3.5 3.5 0 
assi ( resid  51 and name   HN ) ( resid  52 and name   HN )  3.5 3.5 0 
assi ( resid  51 and name   HN ) ( resid  52 and name  HD1 )  5.0 5.0 0 
assi ( resid  51 and name   HN ) ( resid  52 and name  HE1 )  7.0 7.0 0 
assi ( resid  51 and name  HB* ) ( resid  52 and name   HN )  3.5 3.5 0 
assi ( resid  51 and name  HZ2 ) ( resid  52 and name  HE1 )  5.0 5.0 0 
assi ( resid  52 and name   HA ) ( resid  52 and name   HN )  3.5 3.5 0 
assi ( resid  52 and name   HA ) ( resid  52 and name  HD1 )  5.0 5.0 0 
assi ( resid  52 and name   HA ) ( resid  52 and name  HE1 )  7.0 7.0 0 
assi ( resid  52 and name  HB* ) ( resid  52 and name   HA )  5.0 5.0 0 
assi ( resid  52 and name  HB* ) ( resid  52 and name   HN )  7.0 7.0 0 
assi ( resid  52 and name  HB* ) ( resid  52 and name  HD1 )  5.0 5.0 0 
assi ( resid  52 and name  HB* ) ( resid  52 and name  HE1 )  5.0 5.0 0 
assi ( resid  52 and name  HD1 ) ( resid  52 and name  HE1 )  3.5 3.5 0 
assi ( resid  52 and name   HA ) ( resid  53 and name   HN )  3.5 3.5 0 
assi ( resid  52 and name   HN ) ( resid  53 and name   HN )  3.5 3.5 0 
assi ( resid  52 and name  HB* ) ( resid  53 and name   HN )  5.0 5.0 0 
assi ( resid  53 and name   HA ) ( resid  53 and name   HN )  3.5 3.5 0 
assi ( resid  53 and name   HA ) ( resid  53 and name  HB* )  3.5 3.5 0 
assi ( resid  53 and name  HB* ) ( resid  53 and name   HN )  3.5 3.5 0 
assi ( resid  53 and name   HA ) ( resid  54 and name   HN )  2.8 2.8 0 
assi ( resid  53 and name   HN ) ( resid  54 and name   HN )  3.5 3.5 0 
assi ( resid  53 and name   HN ) ( resid  54 and name  HD* )  7.0 7.0 0 
assi ( resid  53 and name  HB* ) ( resid  54 and name   HN )  7.0 7.0 0 
assi ( resid  54 and name   HA ) ( resid  54 and name   HN )  5.0 5.0 0 
assi ( resid  54 and name   HA ) ( resid  54 and name  HB* )  2.8 2.8 0 
assi ( resid  54 and name   HA ) ( resid  54 and name  HD* )  2.8 2.8 0 
assi ( resid  54 and name  HB* ) ( resid  54 and name   HN )  2.8 2.8 0 
assi ( resid  54 and name  HB* ) ( resid  54 and name  HD* )  2.8 2.8 0 
assi ( resid  54 and name  HD* ) ( resid  54 and name   HN )  5.0 5.0 0 


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    VAL   1          1HT       VAL   1   8.434  19.915   6.175
    2   2H    VAL   1          2HT       VAL   1   7.239  18.728   5.944
    3   3H    VAL   1          3HT       VAL   1   7.382  19.451   7.416
    4    HA   VAL   1           HA       VAL   1   6.836  21.609   6.366
    5    HB   VAL   1           HB       VAL   1   5.719  21.635   4.233
    6   1HG1  VAL   1          1HG1      VAL   1   8.471  20.249   3.996
    7   2HG1  VAL   1          2HG1      VAL   1   8.209  21.999   4.356
    8   3HG1  VAL   1          3HG1      VAL   1   7.663  21.301   2.793
    9   1HG2  VAL   1          1HG2      VAL   1   5.683  19.725   2.714
   10   2HG2  VAL   1          2HG2      VAL   1   4.802  19.257   4.204
   11   3HG2  VAL   1          3HG2      VAL   1   6.478  18.657   3.910
   12    H    VAL   2           H        VAL   2   4.683  22.444   6.658
   13    HA   VAL   2           HA       VAL   2   2.937  20.428   7.812
   14    HB   VAL   2           HB       VAL   2   3.420  22.156   9.268
   15   1HG1  VAL   2          1HG1      VAL   2   3.861  24.061   7.737
   16   2HG1  VAL   2          2HG1      VAL   2   2.608  24.465   8.955
   17   3HG1  VAL   2          3HG1      VAL   2   2.116  24.110   7.265
   18   1HG2  VAL   2          1HG2      VAL   2   0.499  22.234   8.269
   19   2HG2  VAL   2          2HG2      VAL   2   1.094  22.658   9.910
   20   3HG2  VAL   2          3HG2      VAL   2   1.225  20.963   9.326
   21    H    SER   3           H        SER   3   1.768  19.393   6.402
   22    HA   SER   3           HA       SER   3   0.193  20.993   4.503
   23   1HB   SER   3          2HB       SER   3   1.973  19.462   3.440
   24   2HB   SER   3          1HB       SER   3   1.052  18.081   4.095
   25    HG   SER   3           HG       SER   3   0.385  18.509   2.035
   26    H    HIS   4           H        HIS   4  -1.814  19.696   3.869
   27    HA   HIS   4           HA       HIS   4  -3.016  18.568   6.310
   28   1HB   HIS   4          2HB       HIS   4  -3.973  20.649   4.778
   29   2HB   HIS   4          1HB       HIS   4  -4.786  19.290   3.981
   30    HD1  HIS   4           1HD      HIS   4  -4.222  20.778   7.426
   31    HD2  HIS   4           2HD      HIS   4  -7.220  18.778   5.311
   32    HE1  HIS   4           1HE      HIS   4  -6.223  20.641   8.963
   33    HE2  HIS   4           2HE      HIS   4  -8.040  19.556   7.636
   34    H    PHE   5           H        PHE   5  -4.248  16.576   6.055
   35    HA   PHE   5           HA       PHE   5  -2.857  14.890   4.153
   36   1HB   PHE   5          2HB       PHE   5  -2.748  14.310   6.531
   37   2HB   PHE   5          1HB       PHE   5  -4.530  14.389   6.660
   38    HD1  PHE   5           1HD      PHE   5  -5.862  12.602   6.072
   39    HD2  PHE   5           2HD      PHE   5  -1.696  12.403   5.226
   40    HE1  PHE   5           1HE      PHE   5  -6.056  10.196   5.668
   41    HE2  PHE   5           2HE      PHE   5  -1.894  10.015   4.828
   42    HZ   PHE   5           HZ       PHE   5  -4.059   8.891   5.061
   43    H    ASN   6           H        ASN   6  -3.787  13.807   2.523
   44    HA   ASN   6           HA       ASN   6  -6.670  13.717   2.302
   45   1HB   ASN   6          2HB       ASN   6  -4.764  14.719   0.085
   46   2HB   ASN   6          1HB       ASN   6  -6.497  14.305  -0.180
   47   1HD2  ASN   6          1HD2      ASN   6  -8.059  15.489   1.426
   48   2HD2  ASN   6          2HD2      ASN   6  -7.709  17.171   1.713
   49    H    ASP   7           H        ASP   7  -7.126  12.181   0.327
   50    HA   ASP   7           HA       ASP   7  -5.529   9.851   0.923
   51   1HB   ASP   7          2HB       ASP   7  -8.066  10.039   1.122
   52   2HB   ASP   7          1HB       ASP   7  -8.128  10.114  -0.676
   53    H    CYS   8           H        CYS   8  -5.434   8.260  -0.917
   54    HA   CYS   8           HA       CYS   8  -3.682   9.285  -2.878
   55   1HB   CYS   8          2HB       CYS   8  -3.453   7.125  -1.683
   56   2HB   CYS   8          1HB       CYS   8  -4.915   6.514  -2.484
   57    HA   PRO   9           HA       PRO   9  -6.687   9.823  -6.054
   58   1HB   PRO   9          2HB       PRO   9  -4.514   8.567  -7.831
   59   2HB   PRO   9          1HB       PRO   9  -5.574   9.980  -8.226
   60   1HG   PRO   9          2HG       PRO   9  -3.029  10.416  -7.339
   61   2HG   PRO   9          1HG       PRO   9  -4.384  11.378  -6.602
   62   1HD   PRO   9          2HD       PRO   9  -2.982   8.911  -5.458
   63   2HD   PRO   9          1HD       PRO   9  -3.544  10.439  -4.630
   64    H    LEU  10           H        LEU  10  -7.724   8.802  -8.017
   65    HA   LEU  10           HA       LEU  10  -9.162   6.676  -7.357
   66   1HB   LEU  10          2HB       LEU  10  -8.331   7.699 -10.117
   67   2HB   LEU  10          1HB       LEU  10  -9.672   6.538  -9.880
   68    HG   LEU  10           HG       LEU  10  -9.641   9.297  -8.555
   69   1HD1  LEU  10          1HD1      LEU  10 -10.916   8.454 -11.234
   70   2HD1  LEU  10          2HD1      LEU  10  -9.517   9.577 -11.029
   71   3HD1  LEU  10          3HD1      LEU  10 -11.141  10.034 -10.395
   72   1HD2  LEU  10          1HD2      LEU  10 -11.192   7.590  -7.532
   73   2HD2  LEU  10          2HD2      LEU  10 -11.920   7.294  -9.154
   74   3HD2  LEU  10          3HD2      LEU  10 -12.093   8.906  -8.367
   75    H    SER  11           H        SER  11  -6.172   6.467  -9.253
   76    HA   SER  11           HA       SER  11  -6.394   3.562  -9.365
   77   1HB   SER  11          2HB       SER  11  -4.181   5.459 -10.305
   78   2HB   SER  11          1HB       SER  11  -4.157   3.670 -10.496
   79    HG   SER  11           HG       SER  11  -4.888   4.809 -12.328
   80    H    HIS  12           H        HIS  12  -6.448   3.473  -6.881
   81    HA   HIS  12           HA       HIS  12  -4.091   4.418  -5.609
   82   1HB   HIS  12          2HB       HIS  12  -5.083   4.190  -3.641
   83   2HB   HIS  12          1HB       HIS  12  -6.545   4.218  -4.648
   84    HD1  HIS  12           1HD      HIS  12  -8.072   2.226  -4.265
   85    HD2  HIS  12           2HD      HIS  12  -4.253   1.563  -2.681
   86    HE1  HIS  12           1HE      HIS  12  -8.162   0.030  -2.999
   87    HE2  HIS  12           2HE      HIS  12  -5.914  -0.252  -1.943
   88    H    ASP  13           H        ASP  13  -5.304   1.214  -6.560
   89    HA   ASP  13           HA       ASP  13  -2.796   0.031  -5.676
   90   1HB   ASP  13          2HB       ASP  13  -3.916  -2.013  -5.568
   91   2HB   ASP  13          1HB       ASP  13  -5.069  -0.815  -4.911
   92    H    GLY  14           H        GLY  14  -2.720   1.801  -7.851
   93   1HA   GLY  14          2HA       GLY  14  -2.959   0.508 -10.329
   94   2HA   GLY  14          1HA       GLY  14  -2.098   2.032  -9.945
   95    H    TYR  15           H        TYR  15   0.066   1.727  -8.845
   96    HA   TYR  15           HA       TYR  15   1.581  -0.211 -10.376
   97   1HB   TYR  15          2HB       TYR  15   2.253   2.219 -10.211
   98   2HB   TYR  15          1HB       TYR  15   2.488   1.995  -8.446
   99    HD1  TYR  15           1HD      TYR  15   3.469   0.244 -11.639
  100    HD2  TYR  15           2HD      TYR  15   4.679   1.769  -7.862
  101    HE1  TYR  15           1HE      TYR  15   5.754  -0.462 -12.096
  102    HE2  TYR  15           2HE      TYR  15   6.981   1.089  -8.325
  103    HH   TYR  15           HH       TYR  15   7.858  -0.669 -11.277
  104    H    CYS  16           H        CYS  16   0.377   0.361  -7.164
  105    HA   CYS  16           HA       CYS  16   2.149  -1.527  -5.930
  106   1HB   CYS  16          2HB       CYS  16  -0.244  -0.008  -4.779
  107   2HB   CYS  16          1HB       CYS  16   1.031  -0.875  -3.849
  108    H    LEU  17           H        LEU  17   1.792  -3.643  -5.845
  109    HA   LEU  17           HA       LEU  17  -0.627  -4.601  -7.009
  110   1HB   LEU  17          2HB       LEU  17   2.121  -5.624  -6.431
  111   2HB   LEU  17          1HB       LEU  17   0.853  -6.862  -6.483
  112    HG   LEU  17           HG       LEU  17   2.059  -6.550  -8.618
  113   1HD1  LEU  17          1HD1      LEU  17  -0.148  -7.655  -8.504
  114   2HD1  LEU  17          2HD1      LEU  17   0.070  -6.770 -10.049
  115   3HD1  LEU  17          3HD1      LEU  17  -0.982  -6.071  -8.768
  116   1HD2  LEU  17          1HD2      LEU  17   0.486  -3.911  -8.920
  117   2HD2  LEU  17          2HD2      LEU  17   1.589  -4.685 -10.121
  118   3HD2  LEU  17          3HD2      LEU  17   2.247  -4.034  -8.568
  119    H    HIS  18           H        HIS  18  -1.757  -6.445  -6.360
  120    HA   HIS  18           HA       HIS  18  -2.968  -7.647  -5.127
  121   1HB   HIS  18          2HB       HIS  18  -0.483  -8.233  -4.297
  122   2HB   HIS  18          1HB       HIS  18  -1.141  -7.728  -2.727
  123    HD1  HIS  18           1HD      HIS  18  -0.592 -10.633  -4.523
  124    HD2  HIS  18           2HD      HIS  18  -4.122  -9.155  -2.832
  125    HE1  HIS  18           1HE      HIS  18  -2.202 -12.584  -4.371
  126    HE2  HIS  18           2HE      HIS  18  -4.333 -11.648  -3.398
  127    H    ASP  19           H        ASP  19  -3.570  -4.952  -5.018
  128    HA   ASP  19           HA       ASP  19  -4.771  -3.458  -4.015
  129   1HB   ASP  19          2HB       ASP  19  -5.551  -5.685  -2.083
  130   2HB   ASP  19          1HB       ASP  19  -6.148  -4.006  -1.926
  131    H    GLY  20           H        GLY  20  -2.441  -2.721  -3.841
  132   1HA   GLY  20          2HA       GLY  20  -1.311  -2.698  -1.263
  133   2HA   GLY  20          1HA       GLY  20  -0.822  -1.763  -2.710
  134    H    VAL  21           H        VAL  21  -1.031  -1.108   0.285
  135    HA   VAL  21           HA       VAL  21  -3.232   0.698   0.381
  136    HB   VAL  21           HB       VAL  21  -1.121   0.155   2.473
  137   1HG1  VAL  21          1HG1      VAL  21  -3.989   1.339   2.556
  138   2HG1  VAL  21          2HG1      VAL  21  -2.464   2.257   2.847
  139   3HG1  VAL  21          3HG1      VAL  21  -2.967   0.959   3.985
  140   1HG2  VAL  21          1HG2      VAL  21  -2.893  -1.388   3.413
  141   2HG2  VAL  21          2HG2      VAL  21  -2.195  -1.994   1.877
  142   3HG2  VAL  21          3HG2      VAL  21  -3.826  -1.217   1.884
  143    H    CYS  22           H        CYS  22  -2.711   2.247  -1.135
  144    HA   CYS  22           HA       CYS  22  -0.321   3.778  -1.026
  145   1HB   CYS  22          2HB       CYS  22  -1.622   3.419  -3.097
  146   2HB   CYS  22          1HB       CYS  22  -3.034   4.215  -2.357
  147    H    MET  23           H        MET  23   0.197   5.483   0.259
  148    HA   MET  23           HA       MET  23  -1.990   7.142   1.231
  149   1HB   MET  23          2HB       MET  23   0.295   6.202   3.026
  150   2HB   MET  23          1HB       MET  23  -1.004   7.362   3.456
  151   1HG   MET  23          2HG       MET  23  -2.701   5.546   3.075
  152   2HG   MET  23          1HG       MET  23  -1.372   4.385   2.805
  153   1HE   MET  23          1HE       MET  23   0.110   3.378   4.417
  154   2HE   MET  23          2HE       MET  23   0.320   3.821   6.144
  155   3HE   MET  23          3HE       MET  23   0.865   4.949   4.864
  156    H    TYR  24           H        TYR  24  -1.427   9.214   1.800
  157    HA   TYR  24           HA       TYR  24   1.001  10.282   0.601
  158   1HB   TYR  24          2HB       TYR  24  -1.104  11.340  -0.059
  159   2HB   TYR  24          1HB       TYR  24  -1.631  11.449   1.657
  160    HD1  TYR  24           1HD      TYR  24   1.186  12.631  -0.553
  161    HD2  TYR  24           2HD      TYR  24  -1.557  13.418   2.596
  162    HE1  TYR  24           1HE      TYR  24   1.906  14.954  -0.521
  163    HE2  TYR  24           2HE      TYR  24  -0.873  15.748   2.627
  164    HH   TYR  24           HH       TYR  24   1.693  17.001   0.505
  165    H    ILE  25           H        ILE  25   2.602  11.365   1.833
  166    HA   ILE  25           HA       ILE  25   2.306  11.215   4.741
  167    HB   ILE  25           HB       ILE  25   4.770  11.314   2.960
  168   1HG1  ILE  25          2HG1      ILE  25   5.206   9.173   4.473
  169   2HG1  ILE  25          1HG1      ILE  25   3.428   9.102   4.583
  170   1HG2  ILE  25          1HG2      ILE  25   5.976  11.143   5.174
  171   2HG2  ILE  25          2HG2      ILE  25   4.400  11.353   6.030
  172   3HG2  ILE  25          3HG2      ILE  25   5.075  12.683   5.005
  173   1HD1  ILE  25          1HD1      ILE  25   4.406   7.662   2.745
  174   2HD1  ILE  25          2HD1      ILE  25   5.069   9.133   1.945
  175   3HD1  ILE  25          3HD1      ILE  25   3.291   8.893   2.073
  176    H    GLU  26           H        GLU  26   1.534  13.158   5.428
  177    HA   GLU  26           HA       GLU  26   1.545  15.365   3.720
  178   1HB   GLU  26          2HB       GLU  26   0.026  16.280   5.145
  179   2HB   GLU  26          1HB       GLU  26  -0.236  14.546   5.417
  180   1HG   GLU  26          2HG       GLU  26   1.262  16.527   7.239
  181   2HG   GLU  26          1HG       GLU  26  -0.366  15.845   7.495
  182    H    ALA  27           H        ALA  27   3.383  14.487   6.555
  183    HA   ALA  27           HA       ALA  27   4.584  16.900   7.063
  184   1HB   ALA  27          1HB       ALA  27   5.689  14.057   7.494
  185   2HB   ALA  27          2HB       ALA  27   4.557  14.919   8.591
  186   3HB   ALA  27          3HB       ALA  27   6.228  15.544   8.360
  187    H    LEU  28           H        LEU  28   5.508  14.504   4.656
  188    HA   LEU  28           HA       LEU  28   7.932  16.101   4.070
  189   1HB   LEU  28          2HB       LEU  28   7.384  13.152   3.493
  190   2HB   LEU  28          1HB       LEU  28   8.914  14.046   3.215
  191    HG   LEU  28           HG       LEU  28   7.620  13.443   5.933
  192   1HD1  LEU  28          1HD1      LEU  28  10.178  12.350   4.616
  193   2HD1  LEU  28          2HD1      LEU  28   8.623  11.453   4.826
  194   3HD1  LEU  28          3HD1      LEU  28   9.575  11.961   6.274
  195   1HD2  LEU  28          1HD2      LEU  28   8.801  15.616   6.096
  196   2HD2  LEU  28          2HD2      LEU  28  10.255  14.912   5.297
  197   3HD2  LEU  28          3HD2      LEU  28   9.742  14.337   6.928
  198    H    ASP  29           H        ASP  29   4.866  15.498   2.896
  199    HA   ASP  29           HA       ASP  29   3.838  15.772   1.076
  200   1HB   ASP  29          2HB       ASP  29   5.074  17.975   1.337
  201   2HB   ASP  29          1HB       ASP  29   6.185  17.438   0.035
  202    H    LYS  30           H        LYS  30   5.076  13.402   1.289
  203    HA   LYS  30           HA       LYS  30   5.774  12.683  -1.474
  204   1HB   LYS  30          2HB       LYS  30   6.639  11.277   1.113
  205   2HB   LYS  30          1HB       LYS  30   7.113  10.818  -0.548
  206   1HG   LYS  30          2HG       LYS  30   7.975  13.303   1.003
  207   2HG   LYS  30          1HG       LYS  30   8.964  11.883   0.540
  208   1HD   LYS  30          2HD       LYS  30   8.564  12.483  -1.905
  209   2HD   LYS  30          1HD       LYS  30   7.663  13.929  -1.332
  210   1HE   LYS  30          2HE       LYS  30   9.759  14.736  -0.127
  211   2HE   LYS  30          1HE       LYS  30  10.673  13.371  -0.889
  212   1HZ   LYS  30          1HZ       LYS  30  10.897  15.349  -2.212
  213   2HZ   LYS  30          2HZ       LYS  30   9.211  15.559  -2.283
  214   3HZ   LYS  30          3HZ       LYS  30   9.911  14.274  -3.073
  215    H    TYR  31           H        TYR  31   5.458  10.280  -1.846
  216    HA   TYR  31           HA       TYR  31   2.910   9.400  -0.668
  217   1HB   TYR  31          2HB       TYR  31   3.916   9.426  -3.566
  218   2HB   TYR  31          1HB       TYR  31   2.795   8.127  -3.039
  219    HD1  TYR  31           1HD      TYR  31   0.617   8.572  -2.322
  220    HD2  TYR  31           2HD      TYR  31   3.114  11.738  -3.614
  221    HE1  TYR  31           1HE      TYR  31  -1.369  10.033  -2.570
  222    HE2  TYR  31           2HE      TYR  31   1.157  13.202  -3.857
  223    HH   TYR  31           HH       TYR  31  -1.015  13.448  -3.278
  224    H    ALA  32           H        ALA  32   2.642   7.122  -0.458
  225    HA   ALA  32           HA       ALA  32   4.814   5.496  -1.345
  226   1HB   ALA  32          1HB       ALA  32   5.240   4.417   0.909
  227   2HB   ALA  32          2HB       ALA  32   4.039   5.540   1.652
  228   3HB   ALA  32          3HB       ALA  32   5.585   6.176   0.993
  229    H    CYS  33           H        CYS  33   4.340   3.116  -0.805
  230    HA   CYS  33           HA       CYS  33   1.500   2.640  -0.278
  231   1HB   CYS  33          2HB       CYS  33   3.322   1.150  -2.233
  232   2HB   CYS  33          1HB       CYS  33   1.822   0.433  -1.577
  233    H    ASN  34           H        ASN  34   1.136   1.351   1.406
  234    HA   ASN  34           HA       ASN  34   3.436  -0.001   2.603
  235   1HB   ASN  34          2HB       ASN  34   1.923   1.711   3.886
  236   2HB   ASN  34          1HB       ASN  34   0.684   0.412   3.901
  237   1HD2  ASN  34          1HD2      ASN  34   0.803  -0.636   5.920
  238   2HD2  ASN  34          2HD2      ASN  34   2.290  -1.102   6.698
  239    H    CYS  35           H        CYS  35   3.374  -2.252   2.966
  240    HA   CYS  35           HA       CYS  35   1.379  -3.596   1.288
  241   1HB   CYS  35          2HB       CYS  35   4.086  -4.571   2.317
  242   2HB   CYS  35          1HB       CYS  35   2.962  -5.492   1.269
  243    H    VAL  36           H        VAL  36   0.431  -5.561   1.986
  244    HA   VAL  36           HA       VAL  36  -0.128  -5.599   4.798
  245    HB   VAL  36           HB       VAL  36  -1.134  -7.323   2.537
  246   1HG1  VAL  36          1HG1      VAL  36  -2.203  -6.943   5.414
  247   2HG1  VAL  36          2HG1      VAL  36  -1.637  -8.485   4.640
  248   3HG1  VAL  36          3HG1      VAL  36  -3.120  -7.681   4.060
  249   1HG2  VAL  36          1HG2      VAL  36  -3.144  -5.806   2.665
  250   2HG2  VAL  36          2HG2      VAL  36  -1.690  -4.876   2.200
  251   3HG2  VAL  36          3HG2      VAL  36  -2.309  -4.792   3.891
  252    H    VAL  37           H        VAL  37  -0.115  -7.648   5.990
  253    HA   VAL  37           HA       VAL  37   2.511  -8.717   5.900
  254    HB   VAL  37           HB       VAL  37   1.502  -7.991   7.943
  255   1HG1  VAL  37          1HG1      VAL  37  -0.893  -8.615   7.513
  256   2HG1  VAL  37          2HG1      VAL  37  -0.277  -9.301   9.054
  257   3HG1  VAL  37          3HG1      VAL  37  -0.454 -10.361   7.617
  258   1HG2  VAL  37          1HG2      VAL  37   2.187  -9.889   9.327
  259   2HG2  VAL  37          2HG2      VAL  37   3.317  -9.719   7.940
  260   3HG2  VAL  37          3HG2      VAL  37   2.064 -11.027   7.940
  261    H    GLY  38           H        GLY  38   3.220 -10.716   5.428
  262   1HA   GLY  38          2HA       GLY  38   3.197 -12.804   4.726
  263   2HA   GLY  38          1HA       GLY  38   1.403 -12.803   4.677
  264    H    TYR  39           H        TYR  39   2.989 -10.215   3.065
  265    HA   TYR  39           HA       TYR  39   2.664 -11.568   0.479
  266   1HB   TYR  39          2HB       TYR  39   2.055  -8.642   1.199
  267   2HB   TYR  39          1HB       TYR  39   2.142  -9.284  -0.488
  268    HD1  TYR  39           1HD      TYR  39   0.359  -9.570   2.740
  269    HD2  TYR  39           2HD      TYR  39   0.368 -10.542  -1.387
  270    HE1  TYR  39           1HE      TYR  39  -1.908 -10.409   2.954
  271    HE2  TYR  39           2HE      TYR  39  -1.956 -11.319  -1.203
  272    HH   TYR  39           HH       TYR  39  -3.725 -11.079   1.858
  273    H    ILE  40           H        ILE  40   4.254 -11.368  -0.976
  274    HA   ILE  40           HA       ILE  40   6.744 -10.193   0.017
  275    HB   ILE  40           HB       ILE  40   7.863 -12.312  -0.787
  276   1HG1  ILE  40          2HG1      ILE  40   4.992 -13.406  -0.552
  277   2HG1  ILE  40          1HG1      ILE  40   5.869 -13.125  -2.097
  278   1HG2  ILE  40          1HG2      ILE  40   7.511 -13.400   1.375
  279   2HG2  ILE  40          2HG2      ILE  40   5.982 -12.492   1.641
  280   3HG2  ILE  40          3HG2      ILE  40   7.566 -11.621   1.601
  281   1HD1  ILE  40          1HD1      ILE  40   6.731 -15.074   0.146
  282   2HD1  ILE  40          2HD1      ILE  40   7.650 -14.753  -1.372
  283   3HD1  ILE  40          3HD1      ILE  40   6.012 -15.502  -1.443
  284    H    GLY  41           H        GLY  41   8.483 -10.237  -1.534
  285   1HA   GLY  41          2HA       GLY  41   9.250  -9.918  -3.679
  286   2HA   GLY  41          1HA       GLY  41   7.575  -9.568  -4.245
  287    H    GLU  42           H        GLU  42   9.904  -7.784  -4.629
  288    HA   GLU  42           HA       GLU  42   9.946  -5.839  -2.668
  289   1HB   GLU  42          2HB       GLU  42  11.069  -4.435  -4.334
  290   2HB   GLU  42          1HB       GLU  42  11.768  -6.056  -4.179
  291   1HG   GLU  42          2HG       GLU  42   9.830  -5.278  -6.456
  292   2HG   GLU  42          1HG       GLU  42  11.604  -5.090  -6.533
  293    H    ARG  43           H        ARG  43   7.842  -6.300  -5.350
  294    HA   ARG  43           HA       ARG  43   6.414  -3.779  -4.989
  295   1HB   ARG  43          2HB       ARG  43   7.160  -4.348  -7.169
  296   2HB   ARG  43          1HB       ARG  43   6.601  -6.040  -7.018
  297   1HG   ARG  43          2HG       ARG  43   4.347  -5.478  -7.343
  298   2HG   ARG  43          1HG       ARG  43   4.587  -3.740  -6.992
  299   1HD   ARG  43          2HD       ARG  43   4.201  -4.319  -9.449
  300   2HD   ARG  43          1HD       ARG  43   5.672  -3.308  -9.104
  301    HE   ARG  43           HE       ARG  43   6.748  -5.845  -9.052
  302   1HH1  ARG  43          1HH1      ARG  43   4.809  -4.136 -11.595
  303   2HH1  ARG  43          2HH1      ARG  43   5.730  -4.993 -12.822
  304   1HH2  ARG  43          1HH2      ARG  43   7.764  -6.806 -10.694
  305   2HH2  ARG  43          2HH2      ARG  43   7.354  -6.429 -12.362
  306    H    CYS  44           H        CYS  44   6.358  -6.666  -3.434
  307    HA   CYS  44           HA       CYS  44   4.953  -7.808  -2.290
  308   1HB   CYS  44          2HB       CYS  44   3.209  -5.329  -2.302
  309   2HB   CYS  44          1HB       CYS  44   3.138  -6.664  -1.117
  310    H    GLN  45           H        GLN  45   4.701  -8.347  -4.998
  311    HA   GLN  45           HA       GLN  45   2.068  -8.464  -5.855
  312   1HB   GLN  45          2HB       GLN  45   4.365 -10.346  -6.590
  313   2HB   GLN  45          1HB       GLN  45   2.917  -9.980  -7.585
  314   1HG   GLN  45          2HG       GLN  45   3.713  -7.700  -8.021
  315   2HG   GLN  45          1HG       GLN  45   5.064  -7.884  -6.841
  316   1HE2  GLN  45          1HE2      GLN  45   3.741  -9.448  -9.842
  317   2HE2  GLN  45          2HE2      GLN  45   5.315  -9.845 -10.479
  318    H    TYR  46           H        TYR  46   4.017 -10.991  -4.190
  319    HA   TYR  46           HA       TYR  46   1.876 -12.877  -4.788
  320   1HB   TYR  46          2HB       TYR  46   4.660 -13.506  -3.697
  321   2HB   TYR  46          1HB       TYR  46   3.508 -14.626  -4.499
  322    HD1  TYR  46           1HD      TYR  46   2.863 -14.006  -6.933
  323    HD2  TYR  46           2HD      TYR  46   6.292 -12.506  -4.923
  324    HE1  TYR  46           1HE      TYR  46   3.903 -13.516  -9.085
  325    HE2  TYR  46           2HE      TYR  46   7.339 -11.998  -7.066
  326    HH   TYR  46           HH       TYR  46   5.680 -12.728 -10.144
  327    H    ARG  47           H        ARG  47   1.306 -14.515  -3.223
  328    HA   ARG  47           HA       ARG  47   1.382 -13.597  -0.446
  329   1HB   ARG  47          2HB       ARG  47  -0.119 -15.749  -2.005
  330   2HB   ARG  47          1HB       ARG  47  -0.041 -15.815  -0.226
  331   1HG   ARG  47          2HG       ARG  47  -1.082 -13.630   0.001
  332   2HG   ARG  47          1HG       ARG  47  -1.225 -13.469  -1.790
  333   1HD   ARG  47          2HD       ARG  47  -2.745 -15.403  -1.895
  334   2HD   ARG  47          1HD       ARG  47  -2.480 -15.770  -0.140
  335    HE   ARG  47           HE       ARG  47  -3.420 -13.148  -0.087
  336   1HH1  ARG  47          1HH1      ARG  47  -4.707 -16.313  -1.286
  337   2HH1  ARG  47          2HH1      ARG  47  -6.280 -15.920  -0.638
  338   1HH2  ARG  47          1HH2      ARG  47  -5.662 -12.741   0.514
  339   2HH2  ARG  47          2HH2      ARG  47  -6.802 -14.001   0.188
  340    H    ASP  48           H        ASP  48   2.565 -14.602   1.118
  341    HA   ASP  48           HA       ASP  48   4.172 -16.893   0.481
  342   1HB   ASP  48          2HB       ASP  48   4.947 -15.107   2.039
  343   2HB   ASP  48          1HB       ASP  48   3.583 -15.498   3.157
  344    H    LEU  49           H        LEU  49   3.419 -18.926   0.486
  345    HA   LEU  49           HA       LEU  49   0.657 -19.273   0.979
  346   1HB   LEU  49          2HB       LEU  49   2.882 -20.776  -0.316
  347   2HB   LEU  49          1HB       LEU  49   1.575 -21.791   0.333
  348    HG   LEU  49           HG       LEU  49  -0.122 -20.534  -0.916
  349   1HD1  LEU  49          1HD1      LEU  49   0.522 -19.063  -2.818
  350   2HD1  LEU  49          2HD1      LEU  49   2.246 -19.102  -2.276
  351   3HD1  LEU  49          3HD1      LEU  49   0.982 -18.317  -1.243
  352   1HD2  LEU  49          1HD2      LEU  49   2.175 -21.683  -2.620
  353   2HD2  LEU  49          2HD2      LEU  49   0.452 -21.517  -3.132
  354   3HD2  LEU  49          3HD2      LEU  49   0.889 -22.635  -1.787
  355    H    LYS  50           H        LYS  50   3.485 -20.263   2.812
  356    HA   LYS  50           HA       LYS  50   2.516 -22.614   3.737
  357   1HB   LYS  50          2HB       LYS  50   4.561 -20.793   5.088
  358   2HB   LYS  50          1HB       LYS  50   4.244 -22.491   5.520
  359   1HG   LYS  50          2HG       LYS  50   5.968 -22.927   4.161
  360   2HG   LYS  50          1HG       LYS  50   4.671 -22.971   2.939
  361   1HD   LYS  50          2HD       LYS  50   6.431 -21.729   1.974
  362   2HD   LYS  50          1HD       LYS  50   5.249 -20.474   2.458
  363   1HE   LYS  50          2HE       LYS  50   6.660 -20.034   4.558
  364   2HE   LYS  50          1HE       LYS  50   7.841 -21.269   3.961
  365   1HZ   LYS  50          1HZ       LYS  50   7.065 -18.720   2.653
  366   2HZ   LYS  50          2HZ       LYS  50   7.993 -19.905   1.898
  367   3HZ   LYS  50          3HZ       LYS  50   8.573 -19.134   3.299
  368    H    TRP  51           H        TRP  51   1.793 -19.475   5.168
  369    HA   TRP  51           HA       TRP  51   0.956 -20.676   7.623
  370   1HB   TRP  51          2HB       TRP  51   0.317 -18.456   8.303
  371   2HB   TRP  51          1HB       TRP  51   1.953 -18.461   7.552
  372    HD1  TRP  51           HD       TRP  51   2.172 -17.019   5.189
  373    HE1  TRP  51           1HE      TRP  51   0.548 -15.291   4.142
  374    HE3  TRP  51           3HE      TRP  51  -2.008 -17.873   7.948
  375    HZ2  TRP  51           2HZ      TRP  51  -1.870 -14.081   4.748
  376    HZ3  TRP  51           3HZ      TRP  51  -3.981 -16.473   7.556
  377    HH2  TRP  51           HH       TRP  51  -3.913 -14.613   5.990
  378    H    TRP  52           H        TRP  52  -0.620 -19.878   4.643
  379    HA   TRP  52           HA       TRP  52  -3.293 -20.089   5.590
  380   1HB   TRP  52          2HB       TRP  52  -2.117 -20.590   2.795
  381   2HB   TRP  52          1HB       TRP  52  -3.868 -20.491   3.172
  382    HD1  TRP  52           HD       TRP  52  -0.763 -18.197   2.793
  383    HE1  TRP  52           1HE      TRP  52  -1.610 -15.803   2.525
  384    HE3  TRP  52           3HE      TRP  52  -5.668 -18.987   3.844
  385    HZ2  TRP  52           2HZ      TRP  52  -4.097 -14.447   2.600
  386    HZ3  TRP  52           3HZ      TRP  52  -7.217 -17.102   3.758
  387    HH2  TRP  52           HH       TRP  52  -6.454 -14.868   3.150
  388    H    GLU  53           H        GLU  53  -1.085 -22.341   3.947
  389    HA   GLU  53           HA       GLU  53  -2.895 -24.558   4.455
  390   1HB   GLU  53          2HB       GLU  53  -0.356 -24.259   2.819
  391   2HB   GLU  53          1HB       GLU  53  -1.177 -25.826   3.095
  392   1HG   GLU  53          2HG       GLU  53  -3.299 -24.947   2.156
  393   2HG   GLU  53          1HG       GLU  53  -2.527 -23.357   1.831
  394    H    LEU  54           H        LEU  54  -2.392 -23.698   6.775
  395    HA   LEU  54           HA       LEU  54  -0.863 -25.837   7.982
  396   1HB   LEU  54          2HB       LEU  54   0.505 -23.724   8.232
  397   2HB   LEU  54          1HB       LEU  54  -0.941 -22.901   8.885
  398    HG   LEU  54           HG       LEU  54  -0.958 -24.507  10.820
  399   1HD1  LEU  54          1HD1      LEU  54   1.087 -25.875  11.299
  400   2HD1  LEU  54          2HD1      LEU  54   1.727 -25.489   9.657
  401   3HD1  LEU  54          3HD1      LEU  54   0.222 -26.464   9.835
  402   1HD2  LEU  54          1HD2      LEU  54   1.665 -22.950  10.419
  403   2HD2  LEU  54          2HD2      LEU  54   0.996 -23.513  11.998
  404   3HD2  LEU  54          3HD2      LEU  54   0.100 -22.282  11.034
  Start of MODEL    2
    1   1H    VAL   1          1HT       VAL   1   6.530  20.474   4.314
    2   2H    VAL   1          2HT       VAL   1   5.531  19.151   4.186
    3   3H    VAL   1          3HT       VAL   1   6.183  19.535   5.669
    4    HA   VAL   1           HA       VAL   1   4.890  21.735   5.406
    5    HB   VAL   1           HB       VAL   1   3.538  19.916   3.356
    6   1HG1  VAL   1          1HG1      VAL   1   2.769  22.774   4.211
    7   2HG1  VAL   1          2HG1      VAL   1   1.803  21.274   4.522
    8   3HG1  VAL   1          3HG1      VAL   1   2.077  21.841   2.852
    9   1HG2  VAL   1          1HG2      VAL   1   4.166  21.764   1.761
   10   2HG2  VAL   1          2HG2      VAL   1   5.594  20.907   2.396
   11   3HG2  VAL   1          3HG2      VAL   1   5.150  22.539   3.049
   12    H    VAL   2           H        VAL   2   2.960  21.908   6.800
   13    HA   VAL   2           HA       VAL   2   2.569  19.479   8.302
   14    HB   VAL   2           HB       VAL   2   1.486  22.263   8.775
   15   1HG1  VAL   2          1HG1      VAL   2   1.174  21.350  11.104
   16   2HG1  VAL   2          2HG1      VAL   2   1.694  19.724  10.545
   17   3HG1  VAL   2          3HG1      VAL   2   0.156  20.452   9.930
   18   1HG2  VAL   2          1HG2      VAL   2   3.967  22.290   8.835
   19   2HG2  VAL   2          2HG2      VAL   2   3.982  20.790   9.848
   20   3HG2  VAL   2          3HG2      VAL   2   3.320  22.325  10.508
   21    H    SER   3           H        SER   3   1.258  18.099   7.236
   22    HA   SER   3           HA       SER   3  -1.377  19.077   6.384
   23   1HB   SER   3          2HB       SER   3   0.230  16.875   5.006
   24   2HB   SER   3          1HB       SER   3  -1.318  17.599   4.447
   25    HG   SER   3           HG       SER   3  -0.158  19.549   4.123
   26    H    HIS   4           H        HIS   4  -2.911  17.112   5.994
   27    HA   HIS   4           HA       HIS   4  -2.805  15.444   8.367
   28   1HB   HIS   4          2HB       HIS   4  -4.954  15.505   6.187
   29   2HB   HIS   4          1HB       HIS   4  -5.064  14.747   7.801
   30    HD1  HIS   4           1HD      HIS   4  -5.060  18.087   6.094
   31    HD2  HIS   4           2HD      HIS   4  -5.874  16.484   9.875
   32    HE1  HIS   4           1HE      HIS   4  -6.231  19.904   7.429
   33    HE2  HIS   4           2HE      HIS   4  -6.666  18.923   9.699
   34    H    PHE   5           H        PHE   5  -3.138  13.082   8.168
   35    HA   PHE   5           HA       PHE   5  -2.184  12.010   5.615
   36   1HB   PHE   5          2HB       PHE   5  -0.718  11.717   7.662
   37   2HB   PHE   5          1HB       PHE   5  -2.062  10.831   8.447
   38    HD1  PHE   5           1HD      PHE   5  -0.482  10.732   5.009
   39    HD2  PHE   5           2HD      PHE   5  -1.467   8.643   8.577
   40    HE1  PHE   5           1HE      PHE   5   0.479   8.699   4.078
   41    HE2  PHE   5           2HE      PHE   5  -0.466   6.606   7.659
   42    HZ   PHE   5           HZ       PHE   5   0.511   6.627   5.407
   43    H    ASN   6           H        ASN   6  -3.712  11.079   4.402
   44    HA   ASN   6           HA       ASN   6  -6.026   9.884   5.750
   45   1HB   ASN   6          2HB       ASN   6  -6.058  11.460   3.123
   46   2HB   ASN   6          1HB       ASN   6  -7.489  10.812   4.007
   47   1HD2  ASN   6          1HD2      ASN   6  -8.189  11.932   5.984
   48   2HD2  ASN   6          2HD2      ASN   6  -7.625  13.550   6.281
   49    H    ASP   7           H        ASP   7  -7.350   8.698   3.832
   50    HA   ASP   7           HA       ASP   7  -5.534   6.707   2.773
   51   1HB   ASP   7          2HB       ASP   7  -7.632   6.154   4.110
   52   2HB   ASP   7          1HB       ASP   7  -8.608   6.967   2.844
   53    H    CYS   8           H        CYS   8  -5.289   6.398   0.540
   54    HA   CYS   8           HA       CYS   8  -4.863   8.581  -0.887
   55   1HB   CYS   8          2HB       CYS   8  -5.269   5.733  -1.827
   56   2HB   CYS   8          1HB       CYS   8  -4.658   7.038  -2.886
   57    HA   PRO   9           HA       PRO   9  -9.081   8.962  -2.381
   58   1HB   PRO   9          2HB       PRO   9  -9.342  11.697  -2.492
   59   2HB   PRO   9          1HB       PRO   9  -9.337  10.755  -0.959
   60   1HG   PRO   9          2HG       PRO   9  -7.085  12.450  -2.092
   61   2HG   PRO   9          1HG       PRO   9  -7.549  12.137  -0.379
   62   1HD   PRO   9          2HD       PRO   9  -5.517  10.763  -1.950
   63   2HD   PRO   9          1HD       PRO   9  -6.104  10.327  -0.296
   64    H    LEU  10           H        LEU  10  -6.911  11.390  -3.846
   65    HA   LEU  10           HA       LEU  10  -8.000  11.109  -6.427
   66   1HB   LEU  10          2HB       LEU  10  -5.420  12.402  -5.418
   67   2HB   LEU  10          1HB       LEU  10  -5.952  12.434  -7.123
   68    HG   LEU  10           HG       LEU  10  -8.077  13.589  -6.415
   69   1HD1  LEU  10          1HD1      LEU  10  -7.889  14.979  -4.281
   70   2HD1  LEU  10          2HD1      LEU  10  -6.536  13.920  -3.757
   71   3HD1  LEU  10          3HD1      LEU  10  -8.203  13.235  -3.985
   72   1HD2  LEU  10          1HD2      LEU  10  -6.931  15.811  -6.262
   73   2HD2  LEU  10          2HD2      LEU  10  -6.161  14.745  -7.497
   74   3HD2  LEU  10          3HD2      LEU  10  -5.375  14.980  -5.889
   75    H    SER  11           H        SER  11  -5.281   9.568  -4.790
   76    HA   SER  11           HA       SER  11  -3.839   9.087  -7.059
   77   1HB   SER  11          2HB       SER  11  -3.422   7.361  -4.611
   78   2HB   SER  11          1HB       SER  11  -2.217   8.160  -5.670
   79    HG   SER  11           HG       SER  11  -2.898  10.144  -4.715
   80    H    HIS  12           H        HIS  12  -3.256   7.215  -8.207
   81    HA   HIS  12           HA       HIS  12  -5.070   4.920  -7.865
   82   1HB   HIS  12          2HB       HIS  12  -4.103   6.084 -10.525
   83   2HB   HIS  12          1HB       HIS  12  -5.076   4.593 -10.316
   84    HD1  HIS  12           1HD      HIS  12  -5.377   8.347 -10.205
   85    HD2  HIS  12           2HD      HIS  12  -7.839   4.973  -9.762
   86    HE1  HIS  12           1HE      HIS  12  -7.732   9.162 -10.264
   87    HE2  HIS  12           2HE      HIS  12  -9.206   7.132 -10.039
   88    H    ASP  13           H        ASP  13  -4.315   2.904  -8.708
   89    HA   ASP  13           HA       ASP  13  -1.682   2.428  -7.821
   90   1HB   ASP  13          2HB       ASP  13  -3.776   0.594  -9.147
   91   2HB   ASP  13          1HB       ASP  13  -2.286   0.025  -8.298
   92    H    GLY  14           H        GLY  14  -0.046   1.157  -8.939
   93   1HA   GLY  14          2HA       GLY  14  -0.120   0.570 -11.621
   94   2HA   GLY  14          1HA       GLY  14   0.612   2.212 -11.440
   95    H    TYR  15           H        TYR  15   2.382   2.331  -9.716
   96    HA   TYR  15           HA       TYR  15   4.353   0.542 -10.504
   97   1HB   TYR  15          2HB       TYR  15   4.652   2.996  -9.775
   98   2HB   TYR  15          1HB       TYR  15   4.525   2.426  -8.077
   99    HD1  TYR  15           1HD      TYR  15   6.420   1.397  -7.084
  100    HD2  TYR  15           2HD      TYR  15   6.303   1.892 -11.300
  101    HE1  TYR  15           1HE      TYR  15   8.684   0.494  -7.245
  102    HE2  TYR  15           2HE      TYR  15   8.572   0.998 -11.477
  103    HH   TYR  15           HH       TYR  15  10.396   0.000  -8.588
  104    H    CYS  16           H        CYS  16   2.564   0.857  -7.447
  105    HA   CYS  16           HA       CYS  16   3.551  -1.785  -6.618
  106   1HB   CYS  16          2HB       CYS  16   2.020   0.354  -5.044
  107   2HB   CYS  16          1HB       CYS  16   2.586  -1.229  -4.390
  108    H    LEU  17           H        LEU  17   2.211  -3.477  -7.018
  109    HA   LEU  17           HA       LEU  17  -0.516  -2.814  -7.834
  110   1HB   LEU  17          2HB       LEU  17  -0.245  -4.320  -9.754
  111   2HB   LEU  17          1HB       LEU  17   0.704  -2.829  -9.821
  112    HG   LEU  17           HG       LEU  17   1.771  -4.796 -10.787
  113   1HD1  LEU  17          1HD1      LEU  17   3.110  -2.816 -10.029
  114   2HD1  LEU  17          2HD1      LEU  17   4.032  -4.363 -10.092
  115   3HD1  LEU  17          3HD1      LEU  17   3.512  -3.700  -8.512
  116   1HD2  LEU  17          1HD2      LEU  17   2.203  -5.888  -7.950
  117   2HD2  LEU  17          2HD2      LEU  17   2.878  -6.532  -9.490
  118   3HD2  LEU  17          3HD2      LEU  17   1.096  -6.580  -9.212
  119    H    HIS  18           H        HIS  18  -1.786  -4.823  -8.280
  120    HA   HIS  18           HA       HIS  18  -2.734  -6.630  -7.653
  121   1HB   HIS  18          2HB       HIS  18  -0.399  -7.576  -8.000
  122   2HB   HIS  18          1HB       HIS  18  -0.235  -7.579  -6.218
  123    HD1  HIS  18           1HD      HIS  18  -0.370 -10.093  -5.764
  124    HD2  HIS  18           2HD      HIS  18  -3.461  -8.808  -8.305
  125    HE1  HIS  18           1HE      HIS  18  -1.891 -12.042  -6.106
  126    HE2  HIS  18           2HE      HIS  18  -3.781 -11.239  -7.562
  127    H    ASP  19           H        ASP  19  -2.988  -4.380  -5.936
  128    HA   ASP  19           HA       ASP  19  -4.118  -3.818  -4.214
  129   1HB   ASP  19          2HB       ASP  19  -5.475  -5.871  -4.500
  130   2HB   ASP  19          1HB       ASP  19  -4.395  -6.714  -3.329
  131    H    GLY  20           H        GLY  20  -2.333  -2.662  -3.652
  132   1HA   GLY  20          2HA       GLY  20  -0.724  -3.720  -1.426
  133   2HA   GLY  20          1HA       GLY  20  -0.298  -2.399  -2.578
  134    H    VAL  21           H        VAL  21   0.028  -1.850   0.122
  135    HA   VAL  21           HA       VAL  21  -2.360  -0.413   0.873
  136    HB   VAL  21           HB       VAL  21   0.237  -0.601   2.376
  137   1HG1  VAL  21          1HG1      VAL  21  -2.635   0.318   3.095
  138   2HG1  VAL  21          2HG1      VAL  21  -1.193   1.392   2.949
  139   3HG1  VAL  21          3HG1      VAL  21  -1.266   0.157   4.248
  140   1HG2  VAL  21          1HG2      VAL  21  -1.046  -2.270   3.763
  141   2HG2  VAL  21          2HG2      VAL  21  -0.764  -2.876   2.101
  142   3HG2  VAL  21          3HG2      VAL  21  -2.386  -2.236   2.560
  143    H    CYS  22           H        CYS  22  -2.667   1.488  -0.067
  144    HA   CYS  22           HA       CYS  22  -0.503   2.884  -1.308
  145   1HB   CYS  22          2HB       CYS  22  -2.677   2.635  -2.395
  146   2HB   CYS  22          1HB       CYS  22  -3.485   3.477  -1.054
  147    H    MET  23           H        MET  23   0.720   4.440  -0.426
  148    HA   MET  23           HA       MET  23  -0.576   6.185   1.546
  149   1HB   MET  23          2HB       MET  23   2.334   5.253   1.515
  150   2HB   MET  23          1HB       MET  23   1.655   6.509   2.607
  151   1HG   MET  23          2HG       MET  23   0.092   4.828   3.573
  152   2HG   MET  23          1HG       MET  23   0.740   3.570   2.485
  153   1HE   MET  23          1HE       MET  23   0.855   2.108   4.445
  154   2HE   MET  23          2HE       MET  23   0.363   3.402   5.590
  155   3HE   MET  23          3HE       MET  23   1.799   2.383   5.947
  156    H    TYR  24           H        TYR  24  -0.676   8.254   0.910
  157    HA   TYR  24           HA       TYR  24   1.385   9.217  -0.932
  158   1HB   TYR  24          2HB       TYR  24  -0.618   8.981  -2.364
  159   2HB   TYR  24          1HB       TYR  24  -1.656   9.721  -1.072
  160    HD1  TYR  24           1HD      TYR  24  -2.165  11.863  -1.248
  161    HD2  TYR  24           2HD      TYR  24   1.446  10.505  -3.061
  162    HE1  TYR  24           1HE      TYR  24  -1.757  14.086  -2.063
  163    HE2  TYR  24           2HE      TYR  24   1.865  12.753  -3.903
  164    HH   TYR  24           HH       TYR  24  -0.494  15.398  -3.335
  165    H    ILE  25           H        ILE  25   2.362  11.077  -0.138
  166    HA   ILE  25           HA       ILE  25   1.338  11.948   2.455
  167    HB   ILE  25           HB       ILE  25   4.156  11.872   1.357
  168   1HG1  ILE  25          2HG1      ILE  25   4.218  10.250   3.495
  169   2HG1  ILE  25          1HG1      ILE  25   2.530   9.917   3.026
  170   1HG2  ILE  25          1HG2      ILE  25   2.892  12.566   4.090
  171   2HG2  ILE  25          2HG2      ILE  25   3.732  13.712   2.966
  172   3HG2  ILE  25          3HG2      ILE  25   4.667  12.398   3.780
  173   1HD1  ILE  25          1HD1      ILE  25   3.368   9.177   0.735
  174   2HD1  ILE  25          2HD1      ILE  25   4.182   8.272   2.055
  175   3HD1  ILE  25          3HD1      ILE  25   5.045   9.614   1.227
  176    H    GLU  26           H        GLU  26   0.126  13.715   1.962
  177    HA   GLU  26           HA       GLU  26   0.719  15.622   0.031
  178   1HB   GLU  26          2HB       GLU  26  -1.005  15.692   2.556
  179   2HB   GLU  26          1HB       GLU  26  -0.921  17.045   1.388
  180   1HG   GLU  26          2HG       GLU  26  -1.691  15.559  -0.453
  181   2HG   GLU  26          1HG       GLU  26  -1.841  14.189   0.705
  182    H    ALA  27           H        ALA  27   1.734  15.321   3.385
  183    HA   ALA  27           HA       ALA  27   2.788  17.797   3.827
  184   1HB   ALA  27          1HB       ALA  27   4.222  16.603   5.514
  185   2HB   ALA  27          2HB       ALA  27   3.821  15.037   4.735
  186   3HB   ALA  27          3HB       ALA  27   2.529  16.000   5.532
  187    H    LEU  28           H        LEU  28   4.131  15.256   1.816
  188    HA   LEU  28           HA       LEU  28   6.644  16.790   1.594
  189   1HB   LEU  28          2HB       LEU  28   6.203  13.779   1.362
  190   2HB   LEU  28          1HB       LEU  28   7.771  14.639   1.230
  191    HG   LEU  28           HG       LEU  28   6.025  14.473   3.745
  192   1HD1  LEU  28          1HD1      LEU  28   8.687  13.091   3.028
  193   2HD1  LEU  28          2HD1      LEU  28   7.073  12.292   3.117
  194   3HD1  LEU  28          3HD1      LEU  28   7.822  12.985   4.604
  195   1HD2  LEU  28          1HD2      LEU  28   8.019  15.421   4.925
  196   2HD2  LEU  28          2HD2      LEU  28   7.315  16.594   3.762
  197   3HD2  LEU  28          3HD2      LEU  28   8.830  15.699   3.340
  198    H    ASP  29           H        ASP  29   3.974  15.597  -0.181
  199    HA   ASP  29           HA       ASP  29   3.402  15.723  -2.222
  200   1HB   ASP  29          2HB       ASP  29   4.978  17.756  -2.370
  201   2HB   ASP  29          1HB       ASP  29   6.137  16.660  -3.183
  202    H    LYS  30           H        LYS  30   4.799  13.440  -0.879
  203    HA   LYS  30           HA       LYS  30   5.883  12.064  -3.240
  204   1HB   LYS  30          2HB       LYS  30   6.627  11.619  -0.320
  205   2HB   LYS  30          1HB       LYS  30   7.385  10.857  -1.748
  206   1HG   LYS  30          2HG       LYS  30   7.516  13.801  -0.924
  207   2HG   LYS  30          1HG       LYS  30   8.828  12.584  -0.854
  208   1HD   LYS  30          2HD       LYS  30   8.838  12.456  -3.354
  209   2HD   LYS  30          1HD       LYS  30   7.437  13.548  -3.432
  210   1HE   LYS  30          2HE       LYS  30   9.426  14.807  -3.996
  211   2HE   LYS  30          1HE       LYS  30   8.745  15.434  -2.447
  212   1HZ   LYS  30          1HZ       LYS  30  10.516  14.436  -1.241
  213   2HZ   LYS  30          2HZ       LYS  30  11.229  15.039  -2.652
  214   3HZ   LYS  30          3HZ       LYS  30  10.880  13.389  -2.504
  215    H    TYR  31           H        TYR  31   5.945   9.761  -3.182
  216    HA   TYR  31           HA       TYR  31   3.399   8.636  -2.225
  217   1HB   TYR  31          2HB       TYR  31   5.186   8.207  -4.677
  218   2HB   TYR  31          1HB       TYR  31   4.188   6.843  -4.093
  219    HD1  TYR  31           1HD      TYR  31   3.920  10.406  -5.197
  220    HD2  TYR  31           2HD      TYR  31   2.019   6.668  -4.581
  221    HE1  TYR  31           1HE      TYR  31   1.941  11.232  -6.382
  222    HE2  TYR  31           2HE      TYR  31   0.037   7.468  -5.799
  223    HH   TYR  31           HH       TYR  31  -0.256  10.812  -6.885
  224    H    ALA  32           H        ALA  32   3.387   6.551  -1.240
  225    HA   ALA  32           HA       ALA  32   5.843   5.112  -1.301
  226   1HB   ALA  32          1HB       ALA  32   5.954   4.745   1.194
  227   2HB   ALA  32          2HB       ALA  32   4.547   5.859   1.406
  228   3HB   ALA  32          3HB       ALA  32   6.120   6.492   0.812
  229    H    CYS  33           H        CYS  33   5.593   2.861  -0.439
  230    HA   CYS  33           HA       CYS  33   2.776   2.006  -0.539
  231   1HB   CYS  33          2HB       CYS  33   5.189   0.513  -1.696
  232   2HB   CYS  33          1HB       CYS  33   3.479  -0.027  -1.727
  233    H    ASN  34           H        ASN  34   2.190   0.512   1.037
  234    HA   ASN  34           HA       ASN  34   4.437  -0.816   2.341
  235   1HB   ASN  34          2HB       ASN  34   3.210   1.005   3.798
  236   2HB   ASN  34          1HB       ASN  34   1.892  -0.210   3.923
  237   1HD2  ASN  34          1HD2      ASN  34   2.141  -1.396   5.828
  238   2HD2  ASN  34          2HD2      ASN  34   3.670  -1.761   6.587
  239    H    CYS  35           H        CYS  35   3.684  -2.932   3.404
  240    HA   CYS  35           HA       CYS  35   1.568  -4.134   1.758
  241   1HB   CYS  35          2HB       CYS  35   4.198  -5.411   2.668
  242   2HB   CYS  35          1HB       CYS  35   2.875  -6.260   1.803
  243    H    VAL  36           H        VAL  36   0.400  -5.829   2.736
  244    HA   VAL  36           HA       VAL  36   0.102  -5.626   5.560
  245    HB   VAL  36           HB       VAL  36  -1.460  -7.705   4.919
  246   1HG1  VAL  36          1HG1      VAL  36  -2.016  -4.763   4.153
  247   2HG1  VAL  36          2HG1      VAL  36  -2.188  -5.464   5.810
  248   3HG1  VAL  36          3HG1      VAL  36  -3.247  -6.034   4.469
  249   1HG2  VAL  36          1HG2      VAL  36  -0.442  -7.745   2.538
  250   2HG2  VAL  36          2HG2      VAL  36  -1.319  -6.187   2.243
  251   3HG2  VAL  36          3HG2      VAL  36  -2.241  -7.660   2.657
  252    H    VAL  37           H        VAL  37   0.019  -7.616   6.935
  253    HA   VAL  37           HA       VAL  37   2.546  -8.878   6.740
  254    HB   VAL  37           HB       VAL  37   0.247  -9.278   8.660
  255   1HG1  VAL  37          1HG1      VAL  37   3.198 -10.222   8.763
  256   2HG1  VAL  37          2HG1      VAL  37   1.742 -11.291   8.686
  257   3HG1  VAL  37          3HG1      VAL  37   2.034 -10.276  10.135
  258   1HG2  VAL  37          1HG2      VAL  37   1.199  -6.953   8.693
  259   2HG2  VAL  37          2HG2      VAL  37   2.864  -7.632   8.797
  260   3HG2  VAL  37          3HG2      VAL  37   1.701  -7.870  10.151
  261    H    GLY  38           H        GLY  38   3.093 -10.736   5.825
  262   1HA   GLY  38          2HA       GLY  38   2.843 -12.914   5.236
  263   2HA   GLY  38          1HA       GLY  38   1.051 -12.752   5.274
  264    H    TYR  39           H        TYR  39   2.807 -10.232   3.794
  265    HA   TYR  39           HA       TYR  39   2.579 -11.398   1.110
  266   1HB   TYR  39          2HB       TYR  39   1.841  -8.606   2.141
  267   2HB   TYR  39          1HB       TYR  39   2.485  -8.786   0.475
  268    HD1  TYR  39           1HD      TYR  39  -0.172 -10.246   2.716
  269    HD2  TYR  39           2HD      TYR  39   1.092  -9.201  -1.206
  270    HE1  TYR  39           1HE      TYR  39  -2.403 -10.753   1.860
  271    HE2  TYR  39           2HE      TYR  39  -1.152  -9.590  -2.045
  272    HH   TYR  39           HH       TYR  39  -3.255 -10.125  -1.531
  273    H    ILE  40           H        ILE  40   4.311 -11.124  -0.186
  274    HA   ILE  40           HA       ILE  40   6.623  -9.713   0.884
  275    HB   ILE  40           HB       ILE  40   8.059 -11.629   0.069
  276   1HG1  ILE  40          2HG1      ILE  40   5.368 -13.117   0.286
  277   2HG1  ILE  40          1HG1      ILE  40   6.311 -12.828  -1.216
  278   1HG2  ILE  40          1HG2      ILE  40   6.258 -12.089   2.514
  279   2HG2  ILE  40          2HG2      ILE  40   7.640 -10.937   2.452
  280   3HG2  ILE  40          3HG2      ILE  40   7.934 -12.699   2.255
  281   1HD1  ILE  40          1HD1      ILE  40   6.731 -15.113  -0.438
  282   2HD1  ILE  40          2HD1      ILE  40   7.171 -14.542   1.203
  283   3HD1  ILE  40          3HD1      ILE  40   8.238 -14.156  -0.197
  284    H    GLY  41           H        GLY  41   8.400  -9.690  -0.818
  285   1HA   GLY  41          2HA       GLY  41   8.982  -9.229  -2.962
  286   2HA   GLY  41          1HA       GLY  41   7.252  -9.028  -3.424
  287    H    GLU  42           H        GLU  42   9.656  -7.234  -3.767
  288    HA   GLU  42           HA       GLU  42   9.241  -4.952  -2.111
  289   1HB   GLU  42          2HB       GLU  42  11.410  -5.297  -3.137
  290   2HB   GLU  42          1HB       GLU  42  10.655  -5.582  -4.725
  291   1HG   GLU  42          2HG       GLU  42   9.978  -3.169  -4.878
  292   2HG   GLU  42          1HG       GLU  42  10.770  -2.864  -3.284
  293    H    ARG  43           H        ARG  43   8.080  -6.162  -5.192
  294    HA   ARG  43           HA       ARG  43   6.484  -3.833  -5.712
  295   1HB   ARG  43          2HB       ARG  43   5.923  -4.902  -7.762
  296   2HB   ARG  43          1HB       ARG  43   7.661  -5.104  -7.436
  297   1HG   ARG  43          2HG       ARG  43   6.752  -7.454  -6.365
  298   2HG   ARG  43          1HG       ARG  43   5.463  -7.158  -7.570
  299   1HD   ARG  43          2HD       ARG  43   8.494  -7.493  -8.046
  300   2HD   ARG  43          1HD       ARG  43   7.160  -8.599  -8.571
  301    HE   ARG  43           HE       ARG  43   7.050  -5.794  -9.605
  302   1HH1  ARG  43          1HH1      ARG  43   8.688  -8.945 -10.241
  303   2HH1  ARG  43          2HH1      ARG  43   9.344  -8.287 -11.672
  304   1HH2  ARG  43          1HH2      ARG  43   7.706  -5.226 -11.577
  305   2HH2  ARG  43          2HH2      ARG  43   8.676  -6.285 -12.566
  306    H    CYS  44           H        CYS  44   6.067  -5.924  -3.359
  307    HA   CYS  44           HA       CYS  44   4.491  -6.477  -2.063
  308   1HB   CYS  44          2HB       CYS  44   4.148  -3.934  -2.559
  309   2HB   CYS  44          1HB       CYS  44   2.649  -4.447  -3.368
  310    H    GLN  45           H        GLN  45   4.536  -8.117  -4.397
  311    HA   GLN  45           HA       GLN  45   1.801  -8.226  -5.297
  312   1HB   GLN  45          2HB       GLN  45   3.927  -8.171  -6.698
  313   2HB   GLN  45          1HB       GLN  45   4.175  -9.887  -6.254
  314   1HG   GLN  45          2HG       GLN  45   1.747 -10.271  -7.219
  315   2HG   GLN  45          1HG       GLN  45   1.867  -8.575  -7.830
  316   1HE2  GLN  45          1HE2      GLN  45   4.308  -8.301  -8.920
  317   2HE2  GLN  45          2HE2      GLN  45   4.581  -9.490 -10.161
  318    H    TYR  46           H        TYR  46   4.003 -10.421  -3.508
  319    HA   TYR  46           HA       TYR  46   2.298 -12.632  -4.266
  320   1HB   TYR  46          2HB       TYR  46   4.922 -12.855  -2.738
  321   2HB   TYR  46          1HB       TYR  46   4.132 -14.070  -3.790
  322    HD1  TYR  46           1HD      TYR  46   3.909 -13.354  -6.309
  323    HD2  TYR  46           2HD      TYR  46   6.620 -11.629  -3.538
  324    HE1  TYR  46           1HE      TYR  46   5.304 -12.580  -8.164
  325    HE2  TYR  46           2HE      TYR  46   8.011 -10.825  -5.382
  326    HH   TYR  46           HH       TYR  46   7.149 -11.442  -8.769
  327    H    ARG  47           H        ARG  47   1.034 -13.766  -2.817
  328    HA   ARG  47           HA       ARG  47   1.292 -12.979   0.002
  329   1HB   ARG  47          2HB       ARG  47  -0.892 -13.884   0.397
  330   2HB   ARG  47          1HB       ARG  47  -0.887 -12.614  -0.857
  331   1HG   ARG  47          2HG       ARG  47  -0.966 -14.400  -2.645
  332   2HG   ARG  47          1HG       ARG  47  -1.133 -15.634  -1.360
  333   1HD   ARG  47          2HD       ARG  47  -3.247 -14.489  -0.572
  334   2HD   ARG  47          1HD       ARG  47  -3.081 -13.265  -1.883
  335    HE   ARG  47           HE       ARG  47  -4.068 -15.999  -2.139
  336   1HH1  ARG  47          1HH1      ARG  47  -2.557 -13.317  -3.980
  337   2HH1  ARG  47          2HH1      ARG  47  -2.970 -14.029  -5.493
  338   1HH2  ARG  47          1HH2      ARG  47  -4.457 -16.915  -4.275
  339   2HH2  ARG  47          2HH2      ARG  47  -4.433 -15.775  -5.596
  340    H    ASP  48           H        ASP  48   1.674 -14.448   1.615
  341    HA   ASP  48           HA       ASP  48   2.876 -16.931   0.742
  342   1HB   ASP  48          2HB       ASP  48   4.053 -15.293   2.270
  343   2HB   ASP  48          1HB       ASP  48   2.773 -15.577   3.497
  344    H    LEU  49           H        LEU  49   1.495 -18.642   0.514
  345    HA   LEU  49           HA       LEU  49  -0.930 -18.663   2.052
  346   1HB   LEU  49          2HB       LEU  49   0.156 -20.647  -0.006
  347   2HB   LEU  49          1HB       LEU  49  -1.496 -20.642   0.689
  348    HG   LEU  49           HG       LEU  49  -0.270 -18.463  -1.088
  349   1HD1  LEU  49          1HD1      LEU  49  -2.047 -19.211  -2.701
  350   2HD1  LEU  49          2HD1      LEU  49  -2.558 -20.484  -1.540
  351   3HD1  LEU  49          3HD1      LEU  49  -0.923 -20.566  -2.281
  352   1HD2  LEU  49          1HD2      LEU  49  -2.599 -17.486  -1.087
  353   2HD2  LEU  49          2HD2      LEU  49  -1.793 -17.347   0.514
  354   3HD2  LEU  49          3HD2      LEU  49  -3.056 -18.616   0.237
  355    H    LYS  50           H        LYS  50   2.207 -19.920   2.731
  356    HA   LYS  50           HA       LYS  50   1.638 -22.435   3.615
  357   1HB   LYS  50          2HB       LYS  50   3.697 -21.617   2.771
  358   2HB   LYS  50          1HB       LYS  50   3.717 -20.222   3.867
  359   1HG   LYS  50          2HG       LYS  50   4.040 -23.103   4.888
  360   2HG   LYS  50          1HG       LYS  50   5.378 -22.069   4.246
  361   1HD   LYS  50          2HD       LYS  50   4.383 -20.238   5.854
  362   2HD   LYS  50          1HD       LYS  50   3.716 -21.628   6.758
  363   1HE   LYS  50          2HE       LYS  50   6.049 -22.534   7.110
  364   2HE   LYS  50          1HE       LYS  50   6.723 -21.186   6.102
  365   1HZ   LYS  50          1HZ       LYS  50   6.787 -20.659   8.511
  366   2HZ   LYS  50          2HZ       LYS  50   5.116 -20.881   8.583
  367   3HZ   LYS  50          3HZ       LYS  50   5.759 -19.620   7.646
  368    H    TRP  51           H        TRP  51   1.429 -19.345   5.331
  369    HA   TRP  51           HA       TRP  51   0.982 -20.721   7.837
  370   1HB   TRP  51          2HB       TRP  51   0.954 -18.577   8.877
  371   2HB   TRP  51          1HB       TRP  51   2.359 -18.693   7.767
  372    HD1  TRP  51           HD       TRP  51   2.127 -17.151   5.405
  373    HE1  TRP  51           1HE      TRP  51   0.634 -15.153   4.884
  374    HE3  TRP  51           3HE      TRP  51  -0.986 -17.359   9.410
  375    HZ2  TRP  51           2HZ      TRP  51  -1.223 -13.517   6.280
  376    HZ3  TRP  51           3HZ      TRP  51  -2.621 -15.568   9.733
  377    HH2  TRP  51           HH       TRP  51  -2.736 -13.681   8.204
  378    H    TRP  52           H        TRP  52  -0.919 -19.166   5.356
  379    HA   TRP  52           HA       TRP  52  -3.354 -19.109   6.766
  380   1HB   TRP  52          2HB       TRP  52  -2.714 -19.319   3.770
  381   2HB   TRP  52          1HB       TRP  52  -4.384 -19.218   4.407
  382    HD1  TRP  52           HD       TRP  52  -1.853 -16.883   3.108
  383    HE1  TRP  52           1HE      TRP  52  -2.539 -14.477   3.724
  384    HE3  TRP  52           3HE      TRP  52  -5.416 -17.933   6.567
  385    HZ2  TRP  52           2HZ      TRP  52  -4.503 -13.223   5.302
  386    HZ3  TRP  52           3HZ      TRP  52  -6.652 -16.094   7.590
  387    HH2  TRP  52           HH       TRP  52  -6.201 -13.780   6.981
  388    H    GLU  53           H        GLU  53  -1.974 -21.570   4.590
  389    HA   GLU  53           HA       GLU  53  -4.107 -23.402   5.172
  390   1HB   GLU  53          2HB       GLU  53  -1.514 -23.681   3.601
  391   2HB   GLU  53          1HB       GLU  53  -2.776 -24.945   3.675
  392   1HG   GLU  53          2HG       GLU  53  -3.311 -22.103   2.597
  393   2HG   GLU  53          1HG       GLU  53  -2.732 -23.462   1.589
  394    H    LEU  54           H        LEU  54  -3.248 -22.837   7.566
  395    HA   LEU  54           HA       LEU  54  -1.952 -25.325   8.409
  396   1HB   LEU  54          2HB       LEU  54  -0.644 -23.112   8.737
  397   2HB   LEU  54          1HB       LEU  54  -1.876 -22.678   9.945
  398    HG   LEU  54           HG       LEU  54  -0.144 -25.231  10.008
  399   1HD1  LEU  54          1HD1      LEU  54   1.263 -24.058  11.698
  400   2HD1  LEU  54          2HD1      LEU  54   0.291 -22.555  11.476
  401   3HD1  LEU  54          3HD1      LEU  54   1.286 -23.196  10.111
  402   1HD2  LEU  54          1HD2      LEU  54  -0.721 -25.287  12.456
  403   2HD2  LEU  54          2HD2      LEU  54  -2.183 -25.468  11.421
  404   3HD2  LEU  54          3HD2      LEU  54  -1.834 -23.888  12.221
  Start of MODEL    3
    1   1H    VAL   1          1HT       VAL   1   6.647  18.927   8.365
    2   2H    VAL   1          2HT       VAL   1   6.598  18.413   6.779
    3   3H    VAL   1          3HT       VAL   1   7.927  18.103   7.707
    4    HA   VAL   1           HA       VAL   1   6.354  16.160   7.413
    5    HB   VAL   1           HB       VAL   1   6.916  16.987  10.282
    6   1HG1  VAL   1          1HG1      VAL   1   7.031  14.495  10.625
    7   2HG1  VAL   1          2HG1      VAL   1   6.464  14.221   8.948
    8   3HG1  VAL   1          3HG1      VAL   1   5.385  15.002  10.167
    9   1HG2  VAL   1          1HG2      VAL   1   9.036  17.089   9.042
   10   2HG2  VAL   1          2HG2      VAL   1   8.675  15.542   8.177
   11   3HG2  VAL   1          3HG2      VAL   1   8.980  15.553   9.944
   12    H    VAL   2           H        VAL   2   4.190  15.663   7.170
   13    HA   VAL   2           HA       VAL   2   2.506  16.328   9.399
   14    HB   VAL   2           HB       VAL   2   1.732  16.660   6.468
   15   1HG1  VAL   2          1HG1      VAL   2  -0.106  15.448   7.651
   16   2HG1  VAL   2          2HG1      VAL   2  -0.565  17.165   7.380
   17   3HG1  VAL   2          3HG1      VAL   2  -0.031  16.634   9.011
   18   1HG2  VAL   2          1HG2      VAL   2   1.672  18.612   8.867
   19   2HG2  VAL   2          2HG2      VAL   2   1.046  18.947   7.216
   20   3HG2  VAL   2          3HG2      VAL   2   2.804  18.695   7.463
   21    H    SER   3           H        SER   3   1.380  14.458   9.977
   22    HA   SER   3           HA       SER   3   1.630  12.192   8.093
   23   1HB   SER   3          2HB       SER   3   2.984  11.829  10.177
   24   2HB   SER   3          1HB       SER   3   1.473  11.942  11.137
   25    HG   SER   3           HG       SER   3   1.613   9.834  10.681
   26    H    HIS   4           H        HIS   4  -0.341  12.438   7.042
   27    HA   HIS   4           HA       HIS   4  -2.574  11.728   8.773
   28   1HB   HIS   4          2HB       HIS   4  -2.615  13.897   6.632
   29   2HB   HIS   4          1HB       HIS   4  -4.104  13.034   7.156
   30    HD1  HIS   4           1HD      HIS   4  -3.687  16.123   7.764
   31    HD2  HIS   4           2HD      HIS   4  -3.068  12.956  10.459
   32    HE1  HIS   4           1HE      HIS   4  -3.972  17.053  10.058
   33    HE2  HIS   4           2HE      HIS   4  -3.631  15.149  11.663
   34    H    PHE   5           H        PHE   5  -3.645   9.995   8.187
   35    HA   PHE   5           HA       PHE   5  -2.745   8.673   5.777
   36   1HB   PHE   5          2HB       PHE   5  -4.662   7.714   7.959
   37   2HB   PHE   5          1HB       PHE   5  -3.926   6.705   6.661
   38    HD1  PHE   5           1HD      PHE   5  -1.112   7.570   6.682
   39    HD2  PHE   5           2HD      PHE   5  -3.820   6.887   9.886
   40    HE1  PHE   5           1HE      PHE   5   0.758   7.038   8.139
   41    HE2  PHE   5           2HE      PHE   5  -1.941   6.337  11.355
   42    HZ   PHE   5           HZ       PHE   5   0.359   6.421  10.486
   43    H    ASN   6           H        ASN   6  -3.794   8.792   3.906
   44    HA   ASN   6           HA       ASN   6  -6.612   9.649   3.967
   45   1HB   ASN   6          2HB       ASN   6  -4.540  10.108   1.761
   46   2HB   ASN   6          1HB       ASN   6  -6.216  10.766   1.826
   47   1HD2  ASN   6          1HD2      ASN   6  -6.451  11.813   4.394
   48   2HD2  ASN   6          2HD2      ASN   6  -5.315  13.127   4.512
   49    H    ASP   7           H        ASP   7  -7.600   9.220   1.641
   50    HA   ASP   7           HA       ASP   7  -7.395   6.392   1.117
   51   1HB   ASP   7          2HB       ASP   7  -9.573   6.866  -0.133
   52   2HB   ASP   7          1HB       ASP   7  -9.608   7.096   1.638
   53    H    CYS   8           H        CYS   8  -7.857   5.931  -1.372
   54    HA   CYS   8           HA       CYS   8  -5.959   7.649  -2.844
   55   1HB   CYS   8          2HB       CYS   8  -6.235   4.635  -3.123
   56   2HB   CYS   8          1HB       CYS   8  -4.964   5.698  -3.805
   57    HA   PRO   9           HA       PRO   9  -9.674   6.420  -5.307
   58   1HB   PRO   9          2HB       PRO   9 -11.293   8.631  -5.523
   59   2HB   PRO   9          1HB       PRO   9 -11.298   7.558  -4.077
   60   1HG   PRO   9          2HG       PRO   9  -9.795  10.222  -4.381
   61   2HG   PRO   9          1HG       PRO   9 -10.850   9.669  -3.017
   62   1HD   PRO   9          2HD       PRO   9  -8.061   9.369  -2.969
   63   2HD   PRO   9          1HD       PRO   9  -9.217   8.184  -2.206
   64    H    LEU  10           H        LEU  10  -8.259   9.672  -5.659
   65    HA   LEU  10           HA       LEU  10  -8.689   9.724  -8.464
   66   1HB   LEU  10          2HB       LEU  10  -6.987  11.485  -6.635
   67   2HB   LEU  10          1HB       LEU  10  -7.357  11.862  -8.348
   68    HG   LEU  10           HG       LEU  10  -9.496  11.524  -6.167
   69   1HD1  LEU  10          1HD1      LEU  10  -8.278  14.112  -7.301
   70   2HD1  LEU  10          2HD1      LEU  10  -7.980  13.447  -5.649
   71   3HD1  LEU  10          3HD1      LEU  10  -9.635  13.988  -6.123
   72   1HD2  LEU  10          1HD2      LEU  10 -10.386  11.156  -8.475
   73   2HD2  LEU  10          2HD2      LEU  10  -9.625  12.700  -9.018
   74   3HD2  LEU  10          3HD2      LEU  10 -10.957  12.726  -7.809
   75    H    SER  11           H        SER  11  -5.826   9.246  -6.448
   76    HA   SER  11           HA       SER  11  -4.123   8.915  -8.725
   77   1HB   SER  11          2HB       SER  11  -3.477  10.031  -6.572
   78   2HB   SER  11          1HB       SER  11  -3.529   8.436  -5.760
   79    HG   SER  11           HG       SER  11  -1.495   9.372  -6.709
   80    H    HIS  12           H        HIS  12  -4.495   7.090  -9.922
   81    HA   HIS  12           HA       HIS  12  -4.664   4.521  -8.542
   82   1HB   HIS  12          2HB       HIS  12  -4.731   5.107 -11.539
   83   2HB   HIS  12          1HB       HIS  12  -5.066   3.544 -10.722
   84    HD1  HIS  12           1HD      HIS  12  -7.125   3.883 -12.306
   85    HD2  HIS  12           2HD      HIS  12  -7.119   6.313  -8.898
   86    HE1  HIS  12           1HE      HIS  12  -9.482   4.828 -12.058
   87    HE2  HIS  12           2HE      HIS  12  -9.451   6.199  -9.960
   88    H    ASP  13           H        ASP  13  -2.703   3.573  -7.986
   89    HA   ASP  13           HA       ASP  13  -0.371   4.323  -9.450
   90   1HB   ASP  13          2HB       ASP  13   0.872   3.063  -7.785
   91   2HB   ASP  13          1HB       ASP  13  -0.291   4.176  -6.995
   92    H    GLY  14           H        GLY  14   1.163   2.713 -10.236
   93   1HA   GLY  14          2HA       GLY  14  -0.248   0.456 -11.528
   94   2HA   GLY  14          1HA       GLY  14   1.213   1.315 -12.129
   95    H    TYR  15           H        TYR  15   1.705   1.124  -8.924
   96    HA   TYR  15           HA       TYR  15   3.622  -0.997  -9.436
   97   1HB   TYR  15          2HB       TYR  15   4.200   1.331  -8.540
   98   2HB   TYR  15          1HB       TYR  15   3.432   0.853  -6.989
   99    HD1  TYR  15           1HD      TYR  15   6.246   0.320  -9.286
  100    HD2  TYR  15           2HD      TYR  15   4.434  -0.917  -5.646
  101    HE1  TYR  15           1HE      TYR  15   8.290  -0.868  -8.670
  102    HE2  TYR  15           2HE      TYR  15   6.469  -2.116  -5.030
  103    HH   TYR  15           HH       TYR  15   8.436  -2.967  -5.856
  104    H    CYS  16           H        CYS  16   1.093  -0.273  -6.891
  105    HA   CYS  16           HA       CYS  16   1.936  -2.745  -5.622
  106   1HB   CYS  16          2HB       CYS  16   0.178  -0.413  -4.773
  107   2HB   CYS  16          1HB       CYS  16   0.351  -1.912  -3.790
  108    H    LEU  17           H        LEU  17   0.731  -4.543  -5.443
  109    HA   LEU  17           HA       LEU  17  -1.818  -4.546  -6.867
  110   1HB   LEU  17          2HB       LEU  17  -0.035  -6.882  -6.028
  111   2HB   LEU  17          1HB       LEU  17  -1.590  -6.999  -6.894
  112    HG   LEU  17           HG       LEU  17  -0.010  -7.355  -8.505
  113   1HD1  LEU  17          1HD1      LEU  17  -0.193  -5.550 -10.142
  114   2HD1  LEU  17          2HD1      LEU  17  -0.576  -4.353  -8.863
  115   3HD1  LEU  17          3HD1      LEU  17  -1.743  -5.682  -9.234
  116   1HD2  LEU  17          1HD2      LEU  17   2.022  -6.081  -8.978
  117   2HD2  LEU  17          2HD2      LEU  17   2.034  -6.596  -7.244
  118   3HD2  LEU  17          3HD2      LEU  17   1.659  -4.898  -7.689
  119    H    HIS  18           H        HIS  18  -3.552  -5.667  -6.077
  120    HA   HIS  18           HA       HIS  18  -5.191  -5.800  -4.685
  121   1HB   HIS  18          2HB       HIS  18  -3.098  -7.357  -3.233
  122   2HB   HIS  18          1HB       HIS  18  -4.613  -7.008  -2.353
  123    HD1  HIS  18           1HD      HIS  18  -6.747  -8.007  -3.086
  124    HD2  HIS  18           2HD      HIS  18  -3.586  -9.085  -5.611
  125    HE1  HIS  18           1HE      HIS  18  -7.632  -9.789  -4.644
  126    HE2  HIS  18           2HE      HIS  18  -5.728 -10.398  -6.165
  127    H    ASP  19           H        ASP  19  -4.974  -3.441  -4.829
  128    HA   ASP  19           HA       ASP  19  -5.380  -1.496  -3.983
  129   1HB   ASP  19          2HB       ASP  19  -6.505  -3.259  -1.783
  130   2HB   ASP  19          1HB       ASP  19  -6.550  -1.467  -1.613
  131    H    GLY  20           H        GLY  20  -3.197  -0.841  -4.080
  132   1HA   GLY  20          2HA       GLY  20  -1.495  -1.015  -1.850
  133   2HA   GLY  20          1HA       GLY  20  -1.381   0.056  -3.288
  134    H    VAL  21           H        VAL  21  -1.528   0.128   0.030
  135    HA   VAL  21           HA       VAL  21  -3.310   2.354   0.230
  136    HB   VAL  21           HB       VAL  21  -1.502   1.040   2.258
  137   1HG1  VAL  21          1HG1      VAL  21  -1.833   3.446   2.887
  138   2HG1  VAL  21          2HG1      VAL  21  -2.855   2.392   3.912
  139   3HG1  VAL  21          3HG1      VAL  21  -3.603   3.303   2.556
  140   1HG2  VAL  21          1HG2      VAL  21  -3.732   0.242   3.127
  141   2HG2  VAL  21          2HG2      VAL  21  -3.446  -0.352   1.452
  142   3HG2  VAL  21          3HG2      VAL  21  -4.560   1.034   1.740
  143    H    CYS  22           H        CYS  22  -2.803   4.268  -0.458
  144    HA   CYS  22           HA       CYS  22  -0.103   4.929  -1.052
  145   1HB   CYS  22          2HB       CYS  22  -1.084   6.983  -2.012
  146   2HB   CYS  22          1HB       CYS  22  -1.864   5.495  -2.616
  147    H    MET  23           H        MET  23   1.319   6.229   0.060
  148    HA   MET  23           HA       MET  23   0.028   8.203   1.786
  149   1HB   MET  23          2HB       MET  23   1.662   8.240   3.433
  150   2HB   MET  23          1HB       MET  23   0.937   6.624   3.302
  151   1HG   MET  23          2HG       MET  23   3.026   5.911   3.540
  152   2HG   MET  23          1HG       MET  23   3.083   6.112   1.770
  153   1HE   MET  23          1HE       MET  23   3.254   8.390   5.033
  154   2HE   MET  23          2HE       MET  23   5.030   8.573   5.189
  155   3HE   MET  23          3HE       MET  23   4.295   6.941   5.236
  156    H    TYR  24           H        TYR  24  -0.086   9.827   0.541
  157    HA   TYR  24           HA       TYR  24   2.464  10.977  -0.323
  158   1HB   TYR  24          2HB       TYR  24   1.433  10.286  -2.441
  159   2HB   TYR  24          1HB       TYR  24  -0.183  10.901  -1.890
  160    HD1  TYR  24           1HD      TYR  24   3.302  12.339  -2.063
  161    HD2  TYR  24           2HD      TYR  24  -0.830  12.661  -3.034
  162    HE1  TYR  24           1HE      TYR  24   3.709  14.527  -3.037
  163    HE2  TYR  24           2HE      TYR  24  -0.443  14.829  -4.024
  164    HH   TYR  24           HH       TYR  24   2.765  16.412  -3.861
  165    H    ILE  25           H        ILE  25   2.777  12.557   1.191
  166    HA   ILE  25           HA       ILE  25   0.390  14.033   2.057
  167    HB   ILE  25           HB       ILE  25   3.072  13.634   3.415
  168   1HG1  ILE  25          2HG1      ILE  25   1.350  12.718   5.203
  169   2HG1  ILE  25          1HG1      ILE  25   0.313  12.369   3.793
  170   1HG2  ILE  25          1HG2      ILE  25   0.484  15.163   4.130
  171   2HG2  ILE  25          2HG2      ILE  25   2.107  15.890   3.793
  172   3HG2  ILE  25          3HG2      ILE  25   1.861  14.871   5.261
  173   1HD1  ILE  25          1HD1      ILE  25   3.210  11.338   4.239
  174   2HD1  ILE  25          2HD1      ILE  25   2.129  10.852   2.881
  175   3HD1  ILE  25          3HD1      ILE  25   1.709  10.406   4.567
  176    H    GLU  26           H        GLU  26   0.173  15.886   1.021
  177    HA   GLU  26           HA       GLU  26   2.016  16.806  -0.786
  178   1HB   GLU  26          2HB       GLU  26  -0.473  18.128   0.403
  179   2HB   GLU  26          1HB       GLU  26   0.412  18.697  -1.051
  180   1HG   GLU  26          2HG       GLU  26   0.094  16.408  -2.085
  181   2HG   GLU  26          1HG       GLU  26  -1.005  15.961  -0.734
  182    H    ALA  27           H        ALA  27   1.496  17.865   2.533
  183    HA   ALA  27           HA       ALA  27   2.988  20.138   2.590
  184   1HB   ALA  27          1HB       ALA  27   1.634  19.172   4.477
  185   2HB   ALA  27          2HB       ALA  27   3.296  19.601   5.015
  186   3HB   ALA  27          3HB       ALA  27   2.863  17.878   4.685
  187    H    LEU  28           H        LEU  28   4.182  16.826   2.621
  188    HA   LEU  28           HA       LEU  28   6.946  17.667   2.973
  189   1HB   LEU  28          2HB       LEU  28   5.562  14.962   2.683
  190   2HB   LEU  28          1HB       LEU  28   7.343  15.151   2.709
  191    HG   LEU  28           HG       LEU  28   6.245  16.597   4.973
  192   1HD1  LEU  28          1HD1      LEU  28   5.281  13.683   4.636
  193   2HD1  LEU  28          2HD1      LEU  28   4.281  15.163   4.921
  194   3HD1  LEU  28          3HD1      LEU  28   5.365  14.517   6.220
  195   1HD2  LEU  28          1HD2      LEU  28   7.789  15.010   6.205
  196   2HD2  LEU  28          2HD2      LEU  28   8.566  15.776   4.767
  197   3HD2  LEU  28          3HD2      LEU  28   7.994  14.070   4.689
  198    H    ASP  29           H        ASP  29   4.750  16.208   0.655
  199    HA   ASP  29           HA       ASP  29   4.607  15.946  -1.402
  200   1HB   ASP  29          2HB       ASP  29   5.613  18.282  -1.484
  201   2HB   ASP  29          1HB       ASP  29   7.139  17.519  -2.026
  202    H    LYS  30           H        LYS  30   6.000  14.072   0.311
  203    HA   LYS  30           HA       LYS  30   7.501  12.600  -1.719
  204   1HB   LYS  30          2HB       LYS  30   8.682  11.445  -0.065
  205   2HB   LYS  30          1HB       LYS  30   8.816  13.206   0.157
  206   1HG   LYS  30          2HG       LYS  30   8.681  12.425   2.317
  207   2HG   LYS  30          1HG       LYS  30   7.016  13.003   1.999
  208   1HD   LYS  30          2HD       LYS  30   6.311  10.668   1.526
  209   2HD   LYS  30          1HD       LYS  30   7.955  10.058   1.821
  210   1HE   LYS  30          2HE       LYS  30   6.363  11.631   3.968
  211   2HE   LYS  30          1HE       LYS  30   6.104   9.870   3.705
  212   1HZ   LYS  30          1HZ       LYS  30   8.328   9.408   4.323
  213   2HZ   LYS  30          2HZ       LYS  30   7.622  10.398   5.464
  214   3HZ   LYS  30          3HZ       LYS  30   8.755  11.062   4.427
  215    H    TYR  31           H        TYR  31   7.180  10.498  -2.112
  216    HA   TYR  31           HA       TYR  31   4.462   9.535  -1.612
  217   1HB   TYR  31          2HB       TYR  31   6.476   9.451  -3.894
  218   2HB   TYR  31          1HB       TYR  31   5.417   8.028  -3.728
  219    HD1  TYR  31           1HD      TYR  31   3.257   8.014  -4.415
  220    HD2  TYR  31           2HD      TYR  31   5.372  11.694  -4.265
  221    HE1  TYR  31           1HE      TYR  31   1.562   9.035  -5.846
  222    HE2  TYR  31           2HE      TYR  31   3.649  12.740  -5.662
  223    HH   TYR  31           HH       TYR  31   1.285  10.840  -7.326
  224    H    ALA  32           H        ALA  32   4.073   7.511  -0.817
  225    HA   ALA  32           HA       ALA  32   5.890   5.515  -1.667
  226   1HB   ALA  32          1HB       ALA  32   6.884   6.045   0.589
  227   2HB   ALA  32          2HB       ALA  32   6.257   4.369   0.495
  228   3HB   ALA  32          3HB       ALA  32   5.308   5.638   1.350
  229    H    CYS  33           H        CYS  33   5.004   3.275  -0.890
  230    HA   CYS  33           HA       CYS  33   2.078   3.274  -0.760
  231   1HB   CYS  33          2HB       CYS  33   2.805   2.595  -3.057
  232   2HB   CYS  33          1HB       CYS  33   3.967   1.450  -2.345
  233    H    ASN  34           H        ASN  34   1.318   1.939   0.879
  234    HA   ASN  34           HA       ASN  34   3.296   0.178   2.151
  235   1HB   ASN  34          2HB       ASN  34   2.076   2.093   3.513
  236   2HB   ASN  34          1HB       ASN  34   0.658   1.004   3.470
  237   1HD2  ASN  34          1HD2      ASN  34   1.184  -1.373   4.328
  238   2HD2  ASN  34          2HD2      ASN  34   2.323  -1.438   5.646
  239    H    CYS  35           H        CYS  35   2.805  -2.002   2.229
  240    HA   CYS  35           HA       CYS  35   0.630  -2.768   0.433
  241   1HB   CYS  35          2HB       CYS  35   3.097  -4.287   1.428
  242   2HB   CYS  35          1HB       CYS  35   1.889  -4.902   0.251
  243    H    VAL  36           H        VAL  36  -0.231  -5.083   0.978
  244    HA   VAL  36           HA       VAL  36  -1.430  -4.941   3.529
  245    HB   VAL  36           HB       VAL  36  -1.431  -7.251   1.586
  246   1HG1  VAL  36          1HG1      VAL  36  -3.767  -7.587   2.544
  247   2HG1  VAL  36          2HG1      VAL  36  -3.393  -6.378   3.819
  248   3HG1  VAL  36          3HG1      VAL  36  -2.464  -7.939   3.712
  249   1HG2  VAL  36          1HG2      VAL  36  -3.156  -4.699   1.675
  250   2HG2  VAL  36          2HG2      VAL  36  -3.592  -6.188   0.762
  251   3HG2  VAL  36          3HG2      VAL  36  -2.126  -5.280   0.309
  252    H    VAL  37           H        VAL  37  -1.410  -6.655   5.139
  253    HA   VAL  37           HA       VAL  37   1.300  -7.286   5.800
  254    HB   VAL  37           HB       VAL  37  -1.257  -7.834   7.325
  255   1HG1  VAL  37          1HG1      VAL  37   0.347  -8.015   9.270
  256   2HG1  VAL  37          2HG1      VAL  37   1.735  -7.933   8.129
  257   3HG1  VAL  37          3HG1      VAL  37   0.593  -9.336   8.084
  258   1HG2  VAL  37          1HG2      VAL  37  -0.459  -5.827   8.651
  259   2HG2  VAL  37          2HG2      VAL  37  -0.893  -5.387   6.964
  260   3HG2  VAL  37          3HG2      VAL  37   0.839  -5.559   7.437
  261    H    GLY  38           H        GLY  38   2.301  -9.066   5.403
  262   1HA   GLY  38          2HA       GLY  38   2.629 -11.321   5.407
  263   2HA   GLY  38          1HA       GLY  38   0.890 -11.604   5.066
  264    H    TYR  39           H        TYR  39   2.700  -9.196   3.269
  265    HA   TYR  39           HA       TYR  39   2.658 -10.985   0.939
  266   1HB   TYR  39          2HB       TYR  39   1.889  -8.035   1.150
  267   2HB   TYR  39          1HB       TYR  39   2.329  -8.822  -0.413
  268    HD1  TYR  39           1HD      TYR  39   0.761 -10.031  -1.590
  269    HD2  TYR  39           2HD      TYR  39   0.008  -9.149   2.495
  270    HE1  TYR  39           1HE      TYR  39  -1.527 -10.865  -1.832
  271    HE2  TYR  39           2HE      TYR  39  -2.250 -10.020   2.281
  272    HH   TYR  39           HH       TYR  39  -3.624 -11.223   0.998
  273    H    ILE  40           H        ILE  40   4.276 -10.942  -0.464
  274    HA   ILE  40           HA       ILE  40   6.727  -9.573   0.325
  275    HB   ILE  40           HB       ILE  40   7.899 -11.772  -0.202
  276   1HG1  ILE  40          2HG1      ILE  40   5.114 -12.923   0.413
  277   2HG1  ILE  40          1HG1      ILE  40   5.786 -12.803  -1.242
  278   1HG2  ILE  40          1HG2      ILE  40   7.662 -12.523   2.122
  279   2HG2  ILE  40          2HG2      ILE  40   6.097 -11.665   2.297
  280   3HG2  ILE  40          3HG2      ILE  40   7.625 -10.726   2.084
  281   1HD1  ILE  40          1HD1      ILE  40   6.157 -15.077  -0.347
  282   2HD1  ILE  40          2HD1      ILE  40   6.992 -14.421   1.099
  283   3HD1  ILE  40          3HD1      ILE  40   7.747 -14.242  -0.526
  284    H    GLY  41           H        GLY  41   8.436 -10.115  -1.514
  285   1HA   GLY  41          2HA       GLY  41   8.821 -10.278  -3.746
  286   2HA   GLY  41          1HA       GLY  41   7.084 -10.026  -4.110
  287    H    GLU  42           H        GLU  42   8.945  -8.697  -5.590
  288    HA   GLU  42           HA       GLU  42   9.927  -6.354  -4.563
  289   1HB   GLU  42          2HB       GLU  42   9.188  -7.141  -7.432
  290   2HB   GLU  42          1HB       GLU  42  10.208  -5.737  -6.997
  291   1HG   GLU  42          2HG       GLU  42  10.898  -8.686  -6.359
  292   2HG   GLU  42          1HG       GLU  42  11.565  -7.716  -7.712
  293    H    ARG  43           H        ARG  43   6.866  -6.900  -6.295
  294    HA   ARG  43           HA       ARG  43   6.033  -4.219  -5.385
  295   1HB   ARG  43          2HB       ARG  43   4.401  -4.250  -7.262
  296   2HB   ARG  43          1HB       ARG  43   6.117  -4.139  -7.726
  297   1HG   ARG  43          2HG       ARG  43   6.150  -6.580  -8.254
  298   2HG   ARG  43          1HG       ARG  43   4.380  -6.670  -7.949
  299   1HD   ARG  43          2HD       ARG  43   3.920  -5.127  -9.801
  300   2HD   ARG  43          1HD       ARG  43   5.675  -4.716  -9.974
  301    HE   ARG  43           HE       ARG  43   5.869  -7.358 -10.340
  302   1HH1  ARG  43          1HH1      ARG  43   3.998  -4.816 -12.000
  303   2HH1  ARG  43          2HH1      ARG  43   3.908  -5.732 -13.461
  304   1HH2  ARG  43          1HH2      ARG  43   5.628  -8.544 -12.254
  305   2HH2  ARG  43          2HH2      ARG  43   4.847  -7.831 -13.626
  306    H    CYS  44           H        CYS  44   6.029  -6.528  -3.733
  307    HA   CYS  44           HA       CYS  44   4.773  -7.509  -2.260
  308   1HB   CYS  44          2HB       CYS  44   2.790  -5.271  -2.864
  309   2HB   CYS  44          1HB       CYS  44   2.759  -6.317  -1.414
  310    H    GLN  45           H        GLN  45   4.487  -8.590  -4.893
  311    HA   GLN  45           HA       GLN  45   1.688  -8.912  -5.362
  312   1HB   GLN  45          2HB       GLN  45   3.590  -8.603  -7.082
  313   2HB   GLN  45          1HB       GLN  45   3.976 -10.323  -6.806
  314   1HG   GLN  45          2HG       GLN  45   1.456 -10.810  -7.399
  315   2HG   GLN  45          1HG       GLN  45   1.358  -9.060  -7.833
  316   1HE2  GLN  45          1HE2      GLN  45   2.392  -8.334  -9.706
  317   2HE2  GLN  45          2HE2      GLN  45   3.015  -9.432 -10.925
  318    H    TYR  46           H        TYR  46   4.164 -10.919  -3.810
  319    HA   TYR  46           HA       TYR  46   2.440 -13.253  -4.206
  320   1HB   TYR  46          2HB       TYR  46   5.121 -13.682  -3.009
  321   2HB   TYR  46          1HB       TYR  46   4.215 -14.645  -4.209
  322    HD1  TYR  46           1HD      TYR  46   7.083 -13.049  -3.725
  323    HD2  TYR  46           2HD      TYR  46   3.917 -13.031  -6.566
  324    HE1  TYR  46           1HE      TYR  46   8.610 -12.188  -5.417
  325    HE2  TYR  46           2HE      TYR  46   5.430 -12.147  -8.245
  326    HH   TYR  46           HH       TYR  46   8.869 -11.565  -7.537
  327    H    ARG  47           H        ARG  47   1.970 -14.617  -2.349
  328    HA   ARG  47           HA       ARG  47   1.856 -12.999   0.100
  329   1HB   ARG  47          2HB       ARG  47  -0.251 -13.626  -0.902
  330   2HB   ARG  47          1HB       ARG  47   0.178 -15.355  -0.839
  331   1HG   ARG  47          2HG       ARG  47  -0.090 -15.451   1.530
  332   2HG   ARG  47          1HG       ARG  47   0.209 -13.699   1.728
  333   1HD   ARG  47          2HD       ARG  47  -2.169 -14.318   2.190
  334   2HD   ARG  47          1HD       ARG  47  -1.962 -13.078   0.884
  335    HE   ARG  47           HE       ARG  47  -2.008 -15.600  -0.440
  336   1HH1  ARG  47          1HH1      ARG  47  -4.307 -13.530   1.418
  337   2HH1  ARG  47          2HH1      ARG  47  -5.638 -14.090   0.477
  338   1HH2  ARG  47          1HH2      ARG  47  -3.797 -16.498  -1.313
  339   2HH2  ARG  47          2HH2      ARG  47  -5.404 -15.996  -0.850
  340    H    ASP  48           H        ASP  48   2.519 -13.761   2.073
  341    HA   ASP  48           HA       ASP  48   4.477 -15.869   1.985
  342   1HB   ASP  48          2HB       ASP  48   4.656 -13.450   3.004
  343   2HB   ASP  48          1HB       ASP  48   3.692 -14.100   4.370
  344    H    LEU  49           H        LEU  49   3.862 -17.897   2.382
  345    HA   LEU  49           HA       LEU  49   1.140 -18.277   3.172
  346   1HB   LEU  49          2HB       LEU  49   3.184 -20.309   2.210
  347   2HB   LEU  49          1HB       LEU  49   1.404 -20.508   2.256
  348    HG   LEU  49           HG       LEU  49   2.931 -18.494   0.502
  349   1HD1  LEU  49          1HD1      LEU  49   3.318 -20.871  -0.176
  350   2HD1  LEU  49          2HD1      LEU  49   2.322 -19.977  -1.382
  351   3HD1  LEU  49          3HD1      LEU  49   1.536 -21.135  -0.246
  352   1HD2  LEU  49          1HD2      LEU  49  -0.064 -19.245   0.548
  353   2HD2  LEU  49          2HD2      LEU  49   0.747 -18.200  -0.675
  354   3HD2  LEU  49          3HD2      LEU  49   0.648 -17.655   1.032
  355    H    LYS  50           H        LYS  50   4.085 -18.679   4.888
  356    HA   LYS  50           HA       LYS  50   3.879 -21.235   5.598
  357   1HB   LYS  50          2HB       LYS  50   5.329 -18.960   7.022
  358   2HB   LYS  50          1HB       LYS  50   5.536 -20.681   7.455
  359   1HG   LYS  50          2HG       LYS  50   7.350 -20.154   6.141
  360   2HG   LYS  50          1HG       LYS  50   6.310 -21.194   5.123
  361   1HD   LYS  50          2HD       LYS  50   5.630 -19.300   3.755
  362   2HD   LYS  50          1HD       LYS  50   6.222 -18.127   4.990
  363   1HE   LYS  50          2HE       LYS  50   8.574 -18.794   4.537
  364   2HE   LYS  50          1HE       LYS  50   8.019 -19.966   3.270
  365   1HZ   LYS  50          1HZ       LYS  50   7.352 -17.065   3.242
  366   2HZ   LYS  50          2HZ       LYS  50   7.098 -18.148   2.022
  367   3HZ   LYS  50          3HZ       LYS  50   8.705 -17.731   2.442
  368    H    TRP  51           H        TRP  51   2.311 -18.682   7.508
  369    HA   TRP  51           HA       TRP  51   1.975 -20.578   9.675
  370   1HB   TRP  51          2HB       TRP  51   0.875 -18.813  10.892
  371   2HB   TRP  51          1HB       TRP  51   2.491 -18.345  10.292
  372    HD1  TRP  51           HD       TRP  51  -1.178 -17.256  10.036
  373    HE1  TRP  51           1HE      TRP  51  -1.271 -15.086   8.650
  374    HE3  TRP  51           3HE      TRP  51   3.649 -17.111   8.448
  375    HZ2  TRP  51           2HZ      TRP  51   0.520 -13.453   7.238
  376    HZ3  TRP  51           3HZ      TRP  51   4.379 -15.230   7.069
  377    HH2  TRP  51           HH       TRP  51   2.860 -13.435   6.476
  378    H    TRP  52           H        TRP  52  -0.104 -19.088   7.219
  379    HA   TRP  52           HA       TRP  52  -2.430 -20.167   8.503
  380   1HB   TRP  52          2HB       TRP  52  -3.680 -18.737   6.983
  381   2HB   TRP  52          1HB       TRP  52  -2.390 -17.836   7.823
  382    HD1  TRP  52           HD       TRP  52  -0.224 -17.041   6.224
  383    HE1  TRP  52           1HE      TRP  52  -0.050 -16.722   3.715
  384    HE3  TRP  52           3HE      TRP  52  -4.427 -19.538   4.833
  385    HZ2  TRP  52           2HZ      TRP  52  -1.618 -17.315   1.409
  386    HZ3  TRP  52           3HZ      TRP  52  -4.996 -19.664   2.462
  387    HH2  TRP  52           HH       TRP  52  -3.615 -18.571   0.775
  388    H    GLU  53           H        GLU  53  -0.408 -21.596   6.343
  389    HA   GLU  53           HA       GLU  53  -2.082 -22.345   4.287
  390   1HB   GLU  53          2HB       GLU  53  -0.204 -23.787   3.649
  391   2HB   GLU  53          1HB       GLU  53   0.316 -22.150   4.073
  392   1HG   GLU  53          2HG       GLU  53   1.281 -22.769   6.156
  393   2HG   GLU  53          1HG       GLU  53   0.402 -24.333   6.233
  394    H    LEU  54           H        LEU  54  -3.621 -23.052   6.371
  395    HA   LEU  54           HA       LEU  54  -3.559 -25.922   6.740
  396   1HB   LEU  54          2HB       LEU  54  -5.270 -23.636   7.776
  397   2HB   LEU  54          1HB       LEU  54  -5.783 -25.333   7.974
  398    HG   LEU  54           HG       LEU  54  -4.790 -24.494   9.985
  399   1HD1  LEU  54          1HD1      LEU  54  -4.577 -26.926   9.431
  400   2HD1  LEU  54          2HD1      LEU  54  -3.247 -26.330  10.492
  401   3HD1  LEU  54          3HD1      LEU  54  -2.937 -26.616   8.744
  402   1HD2  LEU  54          1HD2      LEU  54  -2.420 -23.944  10.281
  403   2HD2  LEU  54          2HD2      LEU  54  -3.163 -22.827   9.077
  404   3HD2  LEU  54          3HD2      LEU  54  -2.097 -24.179   8.527
  Start of MODEL    4
    1   1H    VAL   1          1HT       VAL   1   6.041  19.789   6.125
    2   2H    VAL   1          2HT       VAL   1   6.414  20.902   7.317
    3   3H    VAL   1          3HT       VAL   1   4.885  20.889   6.656
    4    HA   VAL   1           HA       VAL   1   5.964  18.545   8.057
    5    HB   VAL   1           HB       VAL   1   4.758  19.281  10.117
    6   1HG1  VAL   1          1HG1      VAL   1   6.566  20.728  10.894
    7   2HG1  VAL   1          2HG1      VAL   1   7.126  21.041   9.219
    8   3HG1  VAL   1          3HG1      VAL   1   7.228  19.377   9.913
    9   1HG2  VAL   1          1HG2      VAL   1   4.718  22.044   8.715
   10   2HG2  VAL   1          2HG2      VAL   1   4.264  21.673  10.407
   11   3HG2  VAL   1          3HG2      VAL   1   3.268  21.029   9.064
   12    H    VAL   2           H        VAL   2   4.336  17.042   8.879
   13    HA   VAL   2           HA       VAL   2   2.028  17.036   7.158
   14    HB   VAL   2           HB       VAL   2   3.510  15.107   7.399
   15   1HG1  VAL   2          1HG1      VAL   2   4.047  15.331   9.868
   16   2HG1  VAL   2          2HG1      VAL   2   3.436  13.702   9.413
   17   3HG1  VAL   2          3HG1      VAL   2   2.349  14.852  10.253
   18   1HG2  VAL   2          1HG2      VAL   2   1.139  14.871   6.633
   19   2HG2  VAL   2          2HG2      VAL   2   0.617  14.590   8.339
   20   3HG2  VAL   2          3HG2      VAL   2   1.723  13.433   7.533
   21    H    SER   3           H        SER   3  -0.129  17.094   7.902
   22    HA   SER   3           HA       SER   3  -0.443  17.594  10.792
   23   1HB   SER   3          2HB       SER   3  -2.490  18.871  10.281
   24   2HB   SER   3          1HB       SER   3  -0.993  19.644   9.679
   25    HG   SER   3           HG       SER   3  -2.524  19.728   8.101
   26    H    HIS   4           H        HIS   4  -2.104  16.308   7.895
   27    HA   HIS   4           HA       HIS   4  -3.072  14.118   9.615
   28   1HB   HIS   4          2HB       HIS   4  -4.809  15.915   8.781
   29   2HB   HIS   4          1HB       HIS   4  -4.600  15.167   7.178
   30    HD1  HIS   4           1HD      HIS   4  -5.582  14.335  10.753
   31    HD2  HIS   4           2HD      HIS   4  -6.298  12.906   6.871
   32    HE1  HIS   4           1HE      HIS   4  -7.405  12.613  10.934
   33    HE2  HIS   4           2HE      HIS   4  -7.854  11.809   8.579
   34    H    PHE   5           H        PHE   5  -3.152  12.027   8.624
   35    HA   PHE   5           HA       PHE   5  -1.506  11.821   6.225
   36   1HB   PHE   5          2HB       PHE   5  -2.360   9.886   8.428
   37   2HB   PHE   5          1HB       PHE   5  -1.805   9.255   6.846
   38    HD1  PHE   5           1HD      PHE   5  -0.734  11.509   9.642
   39    HD2  PHE   5           2HD      PHE   5   0.391   9.138   6.305
   40    HE1  PHE   5           1HE      PHE   5   1.612  11.757  10.264
   41    HE2  PHE   5           2HE      PHE   5   2.747   9.405   6.900
   42    HZ   PHE   5           HZ       PHE   5   3.366  10.709   8.897
   43    H    ASN   6           H        ASN   6  -2.140  10.598   4.432
   44    HA   ASN   6           HA       ASN   6  -5.050  10.596   4.045
   45   1HB   ASN   6          2HB       ASN   6  -2.802  10.713   1.956
   46   2HB   ASN   6          1HB       ASN   6  -4.568  10.863   1.641
   47   1HD2  ASN   6          1HD2      ASN   6  -2.053  12.705   1.393
   48   2HD2  ASN   6          2HD2      ASN   6  -2.621  14.215   2.075
   49    H    ASP   7           H        ASP   7  -6.000   8.896   2.846
   50    HA   ASP   7           HA       ASP   7  -4.342   6.519   2.441
   51   1HB   ASP   7          2HB       ASP   7  -6.407   5.249   2.189
   52   2HB   ASP   7          1HB       ASP   7  -6.360   6.067   3.771
   53    H    CYS   8           H        CYS   8  -5.718   5.421   0.270
   54    HA   CYS   8           HA       CYS   8  -4.264   6.640  -1.661
   55   1HB   CYS   8          2HB       CYS   8  -6.552   4.642  -1.751
   56   2HB   CYS   8          1HB       CYS   8  -5.849   5.229  -3.279
   57    HA   PRO   9           HA       PRO   9  -6.877   9.848  -3.002
   58   1HB   PRO   9          2HB       PRO   9  -5.668  10.666  -5.310
   59   2HB   PRO   9          1HB       PRO   9  -4.755  10.671  -3.755
   60   1HG   PRO   9          2HG       PRO   9  -4.748   8.439  -5.882
   61   2HG   PRO   9          1HG       PRO   9  -3.313   9.309  -5.180
   62   1HD   PRO   9          2HD       PRO   9  -4.316   6.902  -4.172
   63   2HD   PRO   9          1HD       PRO   9  -3.548   8.158  -3.091
   64    H    LEU  10           H        LEU  10  -8.050  10.638  -5.091
   65    HA   LEU  10           HA       LEU  10 -10.011   8.829  -5.627
   66   1HB   LEU  10          2HB       LEU  10  -9.224  11.362  -7.166
   67   2HB   LEU  10          1HB       LEU  10 -10.763  10.476  -7.333
   68    HG   LEU  10           HG       LEU  10 -11.103  10.887  -4.789
   69   1HD1  LEU  10          1HD1      LEU  10 -10.177  13.126  -4.034
   70   2HD1  LEU  10          2HD1      LEU  10  -9.038  13.103  -5.421
   71   3HD1  LEU  10          3HD1      LEU  10  -8.914  11.860  -4.110
   72   1HD2  LEU  10          1HD2      LEU  10 -11.246  13.178  -6.848
   73   2HD2  LEU  10          2HD2      LEU  10 -12.192  13.069  -5.319
   74   3HD2  LEU  10          3HD2      LEU  10 -12.463  11.865  -6.629
   75    H    SER  11           H        SER  11  -7.144   9.554  -7.583
   76    HA   SER  11           HA       SER  11  -8.016   7.827  -9.707
   77   1HB   SER  11          2HB       SER  11  -5.207   8.929  -9.227
   78   2HB   SER  11          1HB       SER  11  -5.847   8.196 -10.742
   79    HG   SER  11           HG       SER  11  -6.497  10.622  -9.486
   80    H    HIS  12           H        HIS  12  -7.224   5.807 -10.239
   81    HA   HIS  12           HA       HIS  12  -6.512   4.218  -7.987
   82   1HB   HIS  12          2HB       HIS  12  -8.137   3.678  -9.891
   83   2HB   HIS  12          1HB       HIS  12  -6.722   3.384 -10.931
   84    HD1  HIS  12           1HD      HIS  12  -5.080   1.287  -9.718
   85    HD2  HIS  12           2HD      HIS  12  -9.172   1.530  -8.775
   86    HE1  HIS  12           1HE      HIS  12  -5.759  -0.944  -8.847
   87    HE2  HIS  12           2HE      HIS  12  -8.201  -0.848  -8.409
   88    H    ASP  13           H        ASP  13  -4.647   2.911  -7.675
   89    HA   ASP  13           HA       ASP  13  -2.238   3.939  -8.647
   90   1HB   ASP  13          2HB       ASP  13  -1.294   2.002  -7.280
   91   2HB   ASP  13          1HB       ASP  13  -2.359   3.140  -6.386
   92    H    GLY  14           H        GLY  14  -0.589   2.815  -9.710
   93   1HA   GLY  14          2HA       GLY  14  -1.376   0.496 -11.323
   94   2HA   GLY  14          1HA       GLY  14  -0.694   1.981 -12.079
   95    H    TYR  15           H        TYR  15   1.202   2.522  -9.947
   96    HA   TYR  15           HA       TYR  15   3.276   0.814 -10.802
   97   1HB   TYR  15          2HB       TYR  15   3.520   3.261 -10.366
   98   2HB   TYR  15          1HB       TYR  15   3.119   2.998  -8.640
   99    HD1  TYR  15           1HD      TYR  15   4.921   2.952  -7.238
  100    HD2  TYR  15           2HD      TYR  15   5.455   1.590 -11.229
  101    HE1  TYR  15           1HE      TYR  15   7.285   2.534  -6.778
  102    HE2  TYR  15           2HE      TYR  15   7.810   1.153 -10.772
  103    HH   TYR  15           HH       TYR  15   9.432   1.080  -9.158
  104    H    CYS  16           H        CYS  16   1.223   0.898  -7.954
  105    HA   CYS  16           HA       CYS  16   2.946  -1.010  -6.578
  106   1HB   CYS  16          2HB       CYS  16   0.483   0.491  -5.584
  107   2HB   CYS  16          1HB       CYS  16   1.607  -0.508  -4.594
  108    H    LEU  17           H        LEU  17   2.285  -3.138  -6.122
  109    HA   LEU  17           HA       LEU  17   0.307  -3.962  -8.069
  110   1HB   LEU  17          2HB       LEU  17   2.779  -5.169  -6.932
  111   2HB   LEU  17          1HB       LEU  17   1.487  -6.267  -7.479
  112    HG   LEU  17           HG       LEU  17   1.408  -5.199  -9.692
  113   1HD1  LEU  17          1HD1      LEU  17   2.176  -2.933  -9.385
  114   2HD1  LEU  17          2HD1      LEU  17   3.409  -3.742 -10.399
  115   3HD1  LEU  17          3HD1      LEU  17   3.724  -3.462  -8.644
  116   1HD2  LEU  17          1HD2      LEU  17   3.540  -6.174 -10.520
  117   2HD2  LEU  17          2HD2      LEU  17   2.735  -7.225  -9.295
  118   3HD2  LEU  17          3HD2      LEU  17   4.171  -6.237  -8.826
  119    H    HIS  18           H        HIS  18  -0.946  -5.767  -7.824
  120    HA   HIS  18           HA       HIS  18  -2.846  -6.460  -7.161
  121   1HB   HIS  18          2HB       HIS  18  -1.165  -7.961  -6.011
  122   2HB   HIS  18          1HB       HIS  18  -1.563  -7.118  -4.486
  123    HD1  HIS  18           1HD      HIS  18  -1.930 -10.057  -4.770
  124    HD2  HIS  18           2HD      HIS  18  -5.054  -7.412  -5.668
  125    HE1  HIS  18           1HE      HIS  18  -4.076 -11.350  -4.514
  126    HE2  HIS  18           2HE      HIS  18  -5.922  -9.786  -5.145
  127    H    ASP  19           H        ASP  19  -2.969  -3.831  -7.030
  128    HA   ASP  19           HA       ASP  19  -3.932  -2.074  -6.248
  129   1HB   ASP  19          2HB       ASP  19  -5.891  -3.989  -4.911
  130   2HB   ASP  19          1HB       ASP  19  -6.195  -2.259  -5.337
  131    H    GLY  20           H        GLY  20  -2.305  -1.171  -5.126
  132   1HA   GLY  20          2HA       GLY  20  -1.600  -2.292  -2.580
  133   2HA   GLY  20          1HA       GLY  20  -0.798  -0.969  -3.492
  134    H    VAL  21           H        VAL  21  -1.203  -1.154  -0.598
  135    HA   VAL  21           HA       VAL  21  -3.298   0.721  -0.042
  136    HB   VAL  21           HB       VAL  21  -1.267  -0.567   1.790
  137   1HG1  VAL  21          1HG1      VAL  21  -2.254   1.551   2.736
  138   2HG1  VAL  21          2HG1      VAL  21  -2.947   0.105   3.552
  139   3HG1  VAL  21          3HG1      VAL  21  -3.908   0.973   2.304
  140   1HG2  VAL  21          1HG2      VAL  21  -2.707  -2.299   0.715
  141   2HG2  VAL  21          2HG2      VAL  21  -4.179  -1.311   1.067
  142   3HG2  VAL  21          3HG2      VAL  21  -3.226  -2.029   2.411
  143    H    CYS  22           H        CYS  22  -2.724   2.608  -1.039
  144    HA   CYS  22           HA       CYS  22  -0.018   3.558  -0.724
  145   1HB   CYS  22          2HB       CYS  22  -0.364   4.861  -2.651
  146   2HB   CYS  22          1HB       CYS  22  -0.933   3.204  -2.941
  147    H    MET  23           H        MET  23   0.659   5.531  -0.075
  148    HA   MET  23           HA       MET  23  -1.340   7.426   0.838
  149   1HB   MET  23          2HB       MET  23  -0.149   7.719   3.023
  150   2HB   MET  23          1HB       MET  23  -1.089   6.221   2.827
  151   1HG   MET  23          2HG       MET  23   1.009   4.951   2.284
  152   2HG   MET  23          1HG       MET  23   1.968   6.421   2.620
  153   1HE   MET  23          1HE       MET  23   1.487   7.831   4.829
  154   2HE   MET  23          2HE       MET  23   3.019   6.890   4.784
  155   3HE   MET  23          3HE       MET  23   2.039   6.939   6.291
  156    H    TYR  24           H        TYR  24  -0.910   9.071  -0.422
  157    HA   TYR  24           HA       TYR  24   1.837   9.988  -0.689
  158   1HB   TYR  24          2HB       TYR  24   0.133   9.641  -2.684
  159   2HB   TYR  24          1HB       TYR  24  -0.628  11.164  -2.101
  160    HD1  TYR  24           1HD      TYR  24   1.055  13.151  -1.766
  161    HD2  TYR  24           2HD      TYR  24   1.726   9.744  -4.220
  162    HE1  TYR  24           1HE      TYR  24   2.722  14.393  -3.009
  163    HE2  TYR  24           2HE      TYR  24   3.388  10.962  -5.483
  164    HH   TYR  24           HH       TYR  24   4.034  14.415  -4.826
  165    H    ILE  25           H        ILE  25   2.590  11.616   0.643
  166    HA   ILE  25           HA       ILE  25   0.533  13.313   1.882
  167    HB   ILE  25           HB       ILE  25   3.365  12.667   2.745
  168   1HG1  ILE  25          2HG1      ILE  25   2.044  10.646   3.028
  169   2HG1  ILE  25          1HG1      ILE  25   2.395  11.415   4.593
  170   1HG2  ILE  25          1HG2      ILE  25   2.583  13.832   4.850
  171   2HG2  ILE  25          2HG2      ILE  25   1.040  14.262   4.010
  172   3HG2  ILE  25          3HG2      ILE  25   2.615  14.920   3.407
  173   1HD1  ILE  25          1HD1      ILE  25   0.061  12.328   4.710
  174   2HD1  ILE  25          2HD1      ILE  25   0.071  10.537   4.513
  175   3HD1  ILE  25          3HD1      ILE  25  -0.312  11.584   3.105
  176    H    GLU  26           H        GLU  26   0.323  14.954   0.431
  177    HA   GLU  26           HA       GLU  26   2.422  15.872  -1.160
  178   1HB   GLU  26          2HB       GLU  26  -0.233  17.167  -0.424
  179   2HB   GLU  26          1HB       GLU  26   0.904  17.763  -1.682
  180   1HG   GLU  26          2HG       GLU  26   0.617  15.618  -2.964
  181   2HG   GLU  26          1HG       GLU  26  -0.622  15.082  -1.764
  182    H    ALA  27           H        ALA  27   1.411  16.872   2.064
  183    HA   ALA  27           HA       ALA  27   2.719  19.291   2.180
  184   1HB   ALA  27          1HB       ALA  27   2.423  17.181   4.411
  185   2HB   ALA  27          2HB       ALA  27   1.154  18.368   3.928
  186   3HB   ALA  27          3HB       ALA  27   2.708  18.945   4.628
  187    H    LEU  28           H        LEU  28   4.001  16.048   2.789
  188    HA   LEU  28           HA       LEU  28   6.619  17.109   3.403
  189   1HB   LEU  28          2HB       LEU  28   5.613  14.218   3.198
  190   2HB   LEU  28          1HB       LEU  28   7.188  14.750   3.869
  191    HG   LEU  28           HG       LEU  28   4.401  15.340   5.029
  192   1HD1  LEU  28          1HD1      LEU  28   6.727  13.570   6.019
  193   2HD1  LEU  28          2HD1      LEU  28   5.147  12.998   5.353
  194   3HD1  LEU  28          3HD1      LEU  28   5.205  13.891   6.915
  195   1HD2  LEU  28          1HD2      LEU  28   7.191  16.270   5.958
  196   2HD2  LEU  28          2HD2      LEU  28   5.736  16.227   7.020
  197   3HD2  LEU  28          3HD2      LEU  28   5.740  17.277   5.556
  198    H    ASP  29           H        ASP  29   4.893  15.659   0.761
  199    HA   ASP  29           HA       ASP  29   5.227  15.683  -1.325
  200   1HB   ASP  29          2HB       ASP  29   6.507  17.816  -0.784
  201   2HB   ASP  29          1HB       ASP  29   8.011  16.872  -1.029
  202    H    LYS  30           H        LYS  30   5.859  13.344   0.304
  203    HA   LYS  30           HA       LYS  30   6.932  11.923  -1.945
  204   1HB   LYS  30          2HB       LYS  30   8.624  10.821  -0.879
  205   2HB   LYS  30          1HB       LYS  30   8.697  12.430  -0.113
  206   1HG   LYS  30          2HG       LYS  30   7.588   9.834   1.072
  207   2HG   LYS  30          1HG       LYS  30   9.053  10.761   1.556
  208   1HD   LYS  30          2HD       LYS  30   7.339  12.690   2.059
  209   2HD   LYS  30          1HD       LYS  30   6.106  11.393   1.974
  210   1HE   LYS  30          2HE       LYS  30   8.547  11.499   3.906
  211   2HE   LYS  30          1HE       LYS  30   6.836  11.873   4.348
  212   1HZ   LYS  30          1HZ       LYS  30   6.271   9.556   3.785
  213   2HZ   LYS  30          2HZ       LYS  30   7.434   9.672   5.006
  214   3HZ   LYS  30          3HZ       LYS  30   7.881   9.224   3.453
  215    H    TYR  31           H        TYR  31   6.677   9.413  -1.290
  216    HA   TYR  31           HA       TYR  31   4.158   9.056   0.048
  217   1HB   TYR  31          2HB       TYR  31   2.817   8.231  -1.631
  218   2HB   TYR  31          1HB       TYR  31   3.577   9.705  -2.303
  219    HD1  TYR  31           1HD      TYR  31   3.028   6.225  -2.648
  220    HD2  TYR  31           2HD      TYR  31   5.520   9.412  -3.887
  221    HE1  TYR  31           1HE      TYR  31   3.596   4.965  -4.682
  222    HE2  TYR  31           2HE      TYR  31   6.137   8.155  -5.915
  223    HH   TYR  31           HH       TYR  31   5.337   6.459  -7.312
  224    H    ALA  32           H        ALA  32   3.427   6.802   0.206
  225    HA   ALA  32           HA       ALA  32   5.536   4.857  -0.257
  226   1HB   ALA  32          1HB       ALA  32   5.744   5.496   2.162
  227   2HB   ALA  32          2HB       ALA  32   5.158   3.808   1.976
  228   3HB   ALA  32          3HB       ALA  32   3.998   5.125   2.397
  229    H    CYS  33           H        CYS  33   4.799   2.754  -0.557
  230    HA   CYS  33           HA       CYS  33   1.881   2.368  -0.659
  231   1HB   CYS  33          2HB       CYS  33   4.054   1.428  -2.585
  232   2HB   CYS  33          1HB       CYS  33   2.573   0.454  -2.352
  233    H    ASN  34           H        ASN  34   1.308   1.073   0.940
  234    HA   ASN  34           HA       ASN  34   3.197  -0.923   1.947
  235   1HB   ASN  34          2HB       ASN  34   0.523   0.138   3.023
  236   2HB   ASN  34          1HB       ASN  34   1.515  -1.150   3.813
  237   1HD2  ASN  34          1HD2      ASN  34   0.780   1.436   4.995
  238   2HD2  ASN  34          2HD2      ASN  34   2.267   2.297   5.251
  239    H    CYS  35           H        CYS  35   2.039  -3.071   2.551
  240    HA   CYS  35           HA       CYS  35   0.091  -3.774   0.511
  241   1HB   CYS  35          2HB       CYS  35   1.427  -5.578  -0.412
  242   2HB   CYS  35          1HB       CYS  35   2.281  -4.027  -0.589
  243    H    VAL  36           H        VAL  36  -0.377  -6.217   0.657
  244    HA   VAL  36           HA       VAL  36  -1.527  -6.475   3.178
  245    HB   VAL  36           HB       VAL  36  -1.389  -8.649   1.100
  246   1HG1  VAL  36          1HG1      VAL  36  -2.611  -9.283   3.177
  247   2HG1  VAL  36          2HG1      VAL  36  -3.778  -8.990   1.858
  248   3HG1  VAL  36          3HG1      VAL  36  -3.550  -7.736   3.122
  249   1HG2  VAL  36          1HG2      VAL  36  -3.431  -7.528   0.090
  250   2HG2  VAL  36          2HG2      VAL  36  -1.911  -6.644  -0.215
  251   3HG2  VAL  36          3HG2      VAL  36  -3.061  -6.060   1.062
  252    H    VAL  37           H        VAL  37  -1.398  -8.168   4.665
  253    HA   VAL  37           HA       VAL  37   1.172  -8.968   5.380
  254    HB   VAL  37           HB       VAL  37  -0.462  -8.483   7.002
  255   1HG1  VAL  37          1HG1      VAL  37  -2.535  -9.217   5.800
  256   2HG1  VAL  37          2HG1      VAL  37  -2.409  -9.927   7.444
  257   3HG1  VAL  37          3HG1      VAL  37  -2.033 -10.936   6.002
  258   1HG2  VAL  37          1HG2      VAL  37   1.373 -10.155   7.537
  259   2HG2  VAL  37          2HG2      VAL  37   0.228 -11.491   7.145
  260   3HG2  VAL  37          3HG2      VAL  37  -0.125 -10.382   8.508
  261    H    GLY  38           H        GLY  38   2.396 -10.658   4.953
  262   1HA   GLY  38          2HA       GLY  38   3.038 -12.632   4.179
  263   2HA   GLY  38          1HA       GLY  38   1.325 -13.167   4.155
  264    H    TYR  39           H        TYR  39   2.493 -10.348   2.389
  265    HA   TYR  39           HA       TYR  39   2.717 -11.967  -0.044
  266   1HB   TYR  39          2HB       TYR  39   1.321  -9.249   0.254
  267   2HB   TYR  39          1HB       TYR  39   1.888  -9.910  -1.326
  268    HD1  TYR  39           1HD      TYR  39   0.747 -11.647  -2.404
  269    HD2  TYR  39           2HD      TYR  39  -0.384 -10.545   1.530
  270    HE1  TYR  39           1HE      TYR  39  -1.327 -12.928  -2.649
  271    HE2  TYR  39           2HE      TYR  39  -2.462 -11.816   1.303
  272    HH   TYR  39           HH       TYR  39  -3.152 -13.789  -1.519
  273    H    ILE  40           H        ILE  40   4.552 -11.663  -1.118
  274    HA   ILE  40           HA       ILE  40   6.507  -9.977   0.276
  275    HB   ILE  40           HB       ILE  40   8.040 -11.912   0.262
  276   1HG1  ILE  40          2HG1      ILE  40   5.508 -13.523  -0.431
  277   2HG1  ILE  40          1HG1      ILE  40   6.865 -13.194  -1.559
  278   1HG2  ILE  40          1HG2      ILE  40   7.091 -12.895   2.278
  279   2HG2  ILE  40          2HG2      ILE  40   5.434 -12.346   1.838
  280   3HG2  ILE  40          3HG2      ILE  40   6.709 -11.142   2.256
  281   1HD1  ILE  40          1HD1      ILE  40   8.440 -14.400  -0.012
  282   2HD1  ILE  40          2HD1      ILE  40   7.096 -15.447  -0.594
  283   3HD1  ILE  40          3HD1      ILE  40   7.061 -14.784   1.082
  284    H    GLY  41           H        GLY  41   8.725 -10.166  -0.817
  285   1HA   GLY  41          2HA       GLY  41   9.919  -9.925  -2.715
  286   2HA   GLY  41          1HA       GLY  41   8.425  -9.964  -3.715
  287    H    GLU  42           H        GLU  42  10.217  -8.113  -4.326
  288    HA   GLU  42           HA       GLU  42  10.497  -5.858  -2.905
  289   1HB   GLU  42          2HB       GLU  42  10.690  -6.612  -5.796
  290   2HB   GLU  42          1HB       GLU  42  10.637  -4.859  -5.478
  291   1HG   GLU  42          2HG       GLU  42  12.968  -5.685  -5.602
  292   2HG   GLU  42          1HG       GLU  42  12.573  -4.920  -4.029
  293    H    ARG  43           H        ARG  43   7.925  -6.337  -5.288
  294    HA   ARG  43           HA       ARG  43   6.554  -3.988  -4.151
  295   1HB   ARG  43          2HB       ARG  43   5.408  -3.813  -6.355
  296   2HB   ARG  43          1HB       ARG  43   7.159  -3.506  -6.371
  297   1HG   ARG  43          2HG       ARG  43   7.579  -5.839  -7.248
  298   2HG   ARG  43          1HG       ARG  43   5.801  -6.071  -7.341
  299   1HD   ARG  43          2HD       ARG  43   5.690  -4.085  -8.926
  300   2HD   ARG  43          1HD       ARG  43   7.489  -3.923  -8.821
  301    HE   ARG  43           HE       ARG  43   7.014  -6.631  -9.494
  302   1HH1  ARG  43          1HH1      ARG  43   6.245  -3.470 -10.995
  303   2HH1  ARG  43          2HH1      ARG  43   6.612  -4.047 -12.568
  304   1HH2  ARG  43          1HH2      ARG  43   7.342  -7.332 -11.691
  305   2HH2  ARG  43          2HH2      ARG  43   6.904  -6.301 -12.998
  306    H    CYS  44           H        CYS  44   6.613  -6.621  -3.020
  307    HA   CYS  44           HA       CYS  44   5.391  -8.124  -2.138
  308   1HB   CYS  44          2HB       CYS  44   3.108  -6.134  -2.245
  309   2HB   CYS  44          1HB       CYS  44   3.343  -7.468  -1.071
  310    H    GLN  45           H        GLN  45   5.385  -8.783  -4.844
  311    HA   GLN  45           HA       GLN  45   2.632  -9.178  -5.591
  312   1HB   GLN  45          2HB       GLN  45   3.667 -10.236  -7.653
  313   2HB   GLN  45          1HB       GLN  45   3.809  -8.475  -7.369
  314   1HG   GLN  45          2HG       GLN  45   6.185  -8.831  -6.501
  315   2HG   GLN  45          1HG       GLN  45   6.042 -10.560  -6.972
  316   1HE2  GLN  45          1HE2      GLN  45   4.649 -10.319  -9.463
  317   2HE2  GLN  45          2HE2      GLN  45   5.664  -9.440 -10.564
  318    H    TYR  46           H        TYR  46   5.174 -11.328  -4.290
  319    HA   TYR  46           HA       TYR  46   3.661 -13.607  -5.216
  320   1HB   TYR  46          2HB       TYR  46   6.076 -13.722  -3.375
  321   2HB   TYR  46          1HB       TYR  46   5.488 -14.970  -4.518
  322    HD1  TYR  46           1HD      TYR  46   5.239 -13.529  -7.067
  323    HD2  TYR  46           2HD      TYR  46   8.112 -13.121  -3.959
  324    HE1  TYR  46           1HE      TYR  46   6.914 -12.841  -8.703
  325    HE2  TYR  46           2HE      TYR  46   9.769 -12.367  -5.579
  326    HH   TYR  46           HH       TYR  46  10.200 -11.903  -7.697
  327    H    ARG  47           H        ARG  47   3.149 -15.426  -3.620
  328    HA   ARG  47           HA       ARG  47   1.971 -14.138  -1.257
  329   1HB   ARG  47          2HB       ARG  47   0.318 -15.927  -1.272
  330   2HB   ARG  47          1HB       ARG  47   0.281 -14.913  -2.736
  331   1HG   ARG  47          2HG       ARG  47   1.414 -16.639  -4.061
  332   2HG   ARG  47          1HG       ARG  47   1.659 -17.660  -2.609
  333   1HD   ARG  47          2HD       ARG  47  -0.807 -17.940  -2.347
  334   2HD   ARG  47          1HD       ARG  47  -1.100 -16.895  -3.783
  335    HE   ARG  47           HE       ARG  47   0.427 -19.533  -3.798
  336   1HH1  ARG  47          1HH1      ARG  47  -1.188 -16.946  -5.731
  337   2HH1  ARG  47          2HH1      ARG  47  -1.128 -17.870  -7.166
  338   1HH2  ARG  47          1HH2      ARG  47   0.294 -20.772  -5.730
  339   2HH2  ARG  47          2HH2      ARG  47  -0.277 -20.058  -7.181
  340    H    ASP  48           H        ASP  48   2.351 -14.801   0.759
  341    HA   ASP  48           HA       ASP  48   4.058 -17.139   1.152
  342   1HB   ASP  48          2HB       ASP  48   4.742 -14.781   1.933
  343   2HB   ASP  48          1HB       ASP  48   3.348 -14.837   3.061
  344    H    LEU  49           H        LEU  49   2.752 -18.907   1.353
  345    HA   LEU  49           HA       LEU  49   0.084 -18.536   2.292
  346   1HB   LEU  49          2HB       LEU  49   0.956 -19.840   0.259
  347   2HB   LEU  49          1HB       LEU  49   1.446 -21.111   1.401
  348    HG   LEU  49           HG       LEU  49  -0.984 -21.342   2.093
  349   1HD1  LEU  49          1HD1      LEU  49  -1.866 -19.066   1.583
  350   2HD1  LEU  49          2HD1      LEU  49  -2.747 -20.308   0.621
  351   3HD1  LEU  49          3HD1      LEU  49  -1.486 -19.289  -0.164
  352   1HD2  LEU  49          1HD2      LEU  49  -0.001 -22.793   0.322
  353   2HD2  LEU  49          2HD2      LEU  49  -0.418 -21.566  -0.933
  354   3HD2  LEU  49          3HD2      LEU  49  -1.726 -22.413  -0.036
  355    H    LYS  50           H        LYS  50   2.741 -18.797   4.103
  356    HA   LYS  50           HA       LYS  50   2.203 -21.111   5.598
  357   1HB   LYS  50          2HB       LYS  50   4.003 -18.719   6.224
  358   2HB   LYS  50          1HB       LYS  50   4.056 -20.304   7.060
  359   1HG   LYS  50          2HG       LYS  50   4.669 -19.791   4.094
  360   2HG   LYS  50          1HG       LYS  50   5.869 -20.031   5.385
  361   1HD   LYS  50          2HD       LYS  50   3.777 -22.116   4.514
  362   2HD   LYS  50          1HD       LYS  50   5.466 -22.029   3.933
  363   1HE   LYS  50          2HE       LYS  50   6.303 -22.377   6.296
  364   2HE   LYS  50          1HE       LYS  50   4.587 -22.571   6.851
  365   1HZ   LYS  50          1HZ       LYS  50   5.980 -24.199   4.789
  366   2HZ   LYS  50          2HZ       LYS  50   4.364 -24.402   5.288
  367   3HZ   LYS  50          3HZ       LYS  50   5.630 -24.702   6.363
  368    H    TRP  51           H        TRP  51   1.321 -17.741   6.220
  369    HA   TRP  51           HA       TRP  51   0.831 -18.307   8.959
  370   1HB   TRP  51          2HB       TRP  51   0.200 -16.055   9.232
  371   2HB   TRP  51          1HB       TRP  51   1.615 -16.114   8.140
  372    HD1  TRP  51           HD       TRP  51   1.251 -15.015   5.691
  373    HE1  TRP  51           1HE      TRP  51  -0.621 -13.429   4.818
  374    HE3  TRP  51           3HE      TRP  51  -2.259 -15.802   9.282
  375    HZ2  TRP  51           2HZ      TRP  51  -3.244 -12.806   5.453
  376    HZ3  TRP  51           3HZ      TRP  51  -4.424 -14.700   9.078
  377    HH2  TRP  51           HH       TRP  51  -4.923 -13.228   7.199
  378    H    TRP  52           H        TRP  52  -1.173 -18.218   6.139
  379    HA   TRP  52           HA       TRP  52  -3.683 -18.263   7.327
  380   1HB   TRP  52          2HB       TRP  52  -2.765 -19.623   4.731
  381   2HB   TRP  52          1HB       TRP  52  -4.457 -19.248   5.178
  382    HD1  TRP  52           HD       TRP  52  -1.368 -17.624   3.619
  383    HE1  TRP  52           1HE      TRP  52  -2.053 -15.319   2.733
  384    HE3  TRP  52           3HE      TRP  52  -5.887 -17.236   5.896
  385    HZ2  TRP  52           2HZ      TRP  52  -4.307 -13.620   2.889
  386    HZ3  TRP  52           3HZ      TRP  52  -7.236 -15.229   5.521
  387    HH2  TRP  52           HH       TRP  52  -6.468 -13.454   4.045
  388    H    GLU  53           H        GLU  53  -1.502 -20.920   6.468
  389    HA   GLU  53           HA       GLU  53  -3.386 -22.883   7.465
  390   1HB   GLU  53          2HB       GLU  53  -2.137 -23.017   5.270
  391   2HB   GLU  53          1HB       GLU  53  -0.644 -23.324   6.198
  392   1HG   GLU  53          2HG       GLU  53  -1.639 -25.428   7.128
  393   2HG   GLU  53          1HG       GLU  53  -3.233 -25.022   6.397
  394    H    LEU  54           H        LEU  54  -2.974 -21.571   9.586
  395    HA   LEU  54           HA       LEU  54  -1.533 -23.338  11.273
  396   1HB   LEU  54          2HB       LEU  54   0.335 -21.857  10.566
  397   2HB   LEU  54          1HB       LEU  54  -0.646 -20.423  10.945
  398    HG   LEU  54           HG       LEU  54  -0.611 -21.036  13.374
  399   1HD1  LEU  54          1HD1      LEU  54   1.250 -23.343  12.491
  400   2HD1  LEU  54          2HD1      LEU  54  -0.395 -23.521  13.212
  401   3HD1  LEU  54          3HD1      LEU  54   0.939 -22.817  14.193
  402   1HD2  LEU  54          1HD2      LEU  54   1.131 -19.523  12.429
  403   2HD2  LEU  54          2HD2      LEU  54   2.174 -20.943  12.042
  404   3HD2  LEU  54          3HD2      LEU  54   1.808 -20.537  13.761
  Start of MODEL    5
    1   1H    VAL   1          1HT       VAL   1   6.615  19.577   6.689
    2   2H    VAL   1          2HT       VAL   1   6.890  21.106   7.302
    3   3H    VAL   1          3HT       VAL   1   5.542  20.838   6.340
    4    HA   VAL   1           HA       VAL   1   6.126  19.573   8.941
    5    HB   VAL   1           HB       VAL   1   4.308  20.905   9.942
    6   1HG1  VAL   1          1HG1      VAL   1   5.627  22.873  10.304
    7   2HG1  VAL   1          2HG1      VAL   1   6.535  22.667   8.782
    8   3HG1  VAL   1          3HG1      VAL   1   6.772  21.498  10.149
    9   1HG2  VAL   1          1HG2      VAL   1   3.518  22.936   8.809
   10   2HG2  VAL   1          2HG2      VAL   1   3.070  21.514   7.812
   11   3HG2  VAL   1          3HG2      VAL   1   4.461  22.564   7.334
   12    H    VAL   2           H        VAL   2   4.567  18.287   9.984
   13    HA   VAL   2           HA       VAL   2   2.716  16.986   8.216
   14    HB   VAL   2           HB       VAL   2   3.509  16.492  11.098
   15   1HG1  VAL   2          1HG1      VAL   2   1.768  14.859   9.127
   16   2HG1  VAL   2          2HG1      VAL   2   1.228  15.577  10.699
   17   3HG1  VAL   2          3HG1      VAL   2   2.423  14.243  10.685
   18   1HG2  VAL   2          1HG2      VAL   2   5.381  16.105   9.446
   19   2HG2  VAL   2          2HG2      VAL   2   4.280  15.048   8.480
   20   3HG2  VAL   2          3HG2      VAL   2   4.765  14.575  10.146
   21    H    SER   3           H        SER   3   0.600  17.630   8.099
   22    HA   SER   3           HA       SER   3  -0.626  18.171  10.731
   23   1HB   SER   3          2HB       SER   3  -1.584  19.455   8.108
   24   2HB   SER   3          1HB       SER   3  -2.334  19.632   9.731
   25    HG   SER   3           HG       SER   3  -0.347  20.616  10.381
   26    H    HIS   4           H        HIS   4  -1.404  17.288   7.304
   27    HA   HIS   4           HA       HIS   4  -3.174  15.219   8.425
   28   1HB   HIS   4          2HB       HIS   4  -4.377  17.252   7.497
   29   2HB   HIS   4          1HB       HIS   4  -3.596  16.942   5.922
   30    HD1  HIS   4           1HD      HIS   4  -5.449  16.044   4.494
   31    HD2  HIS   4           2HD      HIS   4  -5.620  14.391   8.349
   32    HE1  HIS   4           1HE      HIS   4  -7.211  14.247   4.445
   33    HE2  HIS   4           2HE      HIS   4  -7.296  13.286   6.775
   34    H    PHE   5           H        PHE   5  -3.281  13.205   7.289
   35    HA   PHE   5           HA       PHE   5  -1.272  12.930   5.171
   36   1HB   PHE   5          2HB       PHE   5  -2.439  10.954   7.192
   37   2HB   PHE   5          1HB       PHE   5  -1.662  10.390   5.669
   38    HD1  PHE   5           1HD      PHE   5  -1.066  11.856   8.950
   39    HD2  PHE   5           2HD      PHE   5   0.633  10.926   5.175
   40    HE1  PHE   5           1HE      PHE   5   1.183  12.152   9.889
   41    HE2  PHE   5           2HE      PHE   5   2.872  11.230   6.089
   42    HZ   PHE   5           HZ       PHE   5   3.158  11.863   8.457
   43    H    ASN   6           H        ASN   6  -1.778  11.842   3.289
   44    HA   ASN   6           HA       ASN   6  -4.590  12.236   2.554
   45   1HB   ASN   6          2HB       ASN   6  -1.983  12.170   0.918
   46   2HB   ASN   6          1HB       ASN   6  -3.622  12.318   0.191
   47   1HD2  ASN   6          1HD2      ASN   6  -4.661  14.333   0.206
   48   2HD2  ASN   6          2HD2      ASN   6  -4.043  15.733   1.000
   49    H    ASP   7           H        ASP   7  -5.324  10.772   0.749
   50    HA   ASP   7           HA       ASP   7  -4.350   8.027   1.089
   51   1HB   ASP   7          2HB       ASP   7  -7.269   9.006   0.870
   52   2HB   ASP   7          1HB       ASP   7  -6.745   7.294   1.067
   53    H    CYS   8           H        CYS   8  -5.340   6.662  -0.810
   54    HA   CYS   8           HA       CYS   8  -5.707   8.359  -3.188
   55   1HB   CYS   8          2HB       CYS   8  -4.982   6.461  -4.545
   56   2HB   CYS   8          1HB       CYS   8  -3.727   7.156  -3.485
   57    HA   PRO   9           HA       PRO   9  -9.564   6.127  -2.425
   58   1HB   PRO   9          2HB       PRO   9 -11.408   8.166  -2.766
   59   2HB   PRO   9          1HB       PRO   9 -10.514   7.866  -1.232
   60   1HG   PRO   9          2HG       PRO   9  -9.810   9.923  -3.401
   61   2HG   PRO   9          1HG       PRO   9  -9.907  10.154  -1.610
   62   1HD   PRO   9          2HD       PRO   9  -7.494   9.629  -2.903
   63   2HD   PRO   9          1HD       PRO   9  -7.867   8.984  -1.243
   64    H    LEU  10           H        LEU  10  -9.514   8.716  -4.860
   65    HA   LEU  10           HA       LEU  10 -10.974   7.180  -6.729
   66   1HB   LEU  10          2HB       LEU  10 -10.745   9.156  -8.211
   67   2HB   LEU  10          1HB       LEU  10 -11.422   9.457  -6.596
   68    HG   LEU  10           HG       LEU  10  -8.796  10.057  -6.058
   69   1HD1  LEU  10          1HD1      LEU  10  -8.084   9.767  -8.481
   70   2HD1  LEU  10          2HD1      LEU  10  -7.901  11.457  -7.881
   71   3HD1  LEU  10          3HD1      LEU  10  -9.288  11.040  -8.940
   72   1HD2  LEU  10          1HD2      LEU  10 -10.962  11.922  -7.209
   73   2HD2  LEU  10          2HD2      LEU  10  -9.516  12.438  -6.274
   74   3HD2  LEU  10          3HD2      LEU  10 -10.782  11.428  -5.486
   75    H    SER  11           H        SER  11  -7.515   7.969  -6.533
   76    HA   SER  11           HA       SER  11  -7.070   6.761  -9.104
   77   1HB   SER  11          2HB       SER  11  -5.760   8.746  -8.279
   78   2HB   SER  11          1HB       SER  11  -5.021   7.687  -7.040
   79    HG   SER  11           HG       SER  11  -3.648   7.397  -8.577
   80    H    HIS  12           H        HIS  12  -6.164   4.838  -9.575
   81    HA   HIS  12           HA       HIS  12  -5.358   3.076  -7.357
   82   1HB   HIS  12          2HB       HIS  12  -7.146   2.134  -8.722
   83   2HB   HIS  12          1HB       HIS  12  -6.278   2.518 -10.226
   84    HD1  HIS  12           1HD      HIS  12  -4.397   0.895 -10.950
   85    HD2  HIS  12           2HD      HIS  12  -6.249  -0.221  -7.348
   86    HE1  HIS  12           1HE      HIS  12  -3.715  -1.461 -10.493
   87    HE2  HIS  12           2HE      HIS  12  -4.843  -2.142  -8.361
   88    H    ASP  13           H        ASP  13  -3.202   2.560  -7.205
   89    HA   ASP  13           HA       ASP  13  -1.455   3.743  -9.191
   90   1HB   ASP  13          2HB       ASP  13  -1.128   4.122  -6.693
   91   2HB   ASP  13          1HB       ASP  13  -0.610   2.408  -6.578
   92    H    GLY  14           H        GLY  14   0.221   2.630 -10.112
   93   1HA   GLY  14          2HA       GLY  14  -0.707   0.040 -11.087
   94   2HA   GLY  14          1HA       GLY  14   0.386   1.208 -11.888
   95    H    TYR  15           H        TYR  15   1.914   1.239  -9.160
   96    HA   TYR  15           HA       TYR  15   3.744  -0.799  -9.957
   97   1HB   TYR  15          2HB       TYR  15   4.505   1.422  -9.124
   98   2HB   TYR  15          1HB       TYR  15   3.779   1.079  -7.524
   99    HD1  TYR  15           1HD      TYR  15   4.986  -0.159  -5.955
  100    HD2  TYR  15           2HD      TYR  15   6.267  -0.166 -10.004
  101    HE1  TYR  15           1HE      TYR  15   6.974  -1.422  -5.314
  102    HE2  TYR  15           2HE      TYR  15   8.273  -1.423  -9.364
  103    HH   TYR  15           HH       TYR  15   9.070  -2.049  -5.997
  104    H    CYS  16           H        CYS  16   1.684  -0.287  -7.061
  105    HA   CYS  16           HA       CYS  16   2.547  -2.830  -5.992
  106   1HB   CYS  16          2HB       CYS  16   0.429  -0.845  -4.991
  107   2HB   CYS  16          1HB       CYS  16   1.043  -2.266  -4.092
  108    H    LEU  17           H        LEU  17   1.366  -4.732  -5.989
  109    HA   LEU  17           HA       LEU  17  -1.016  -4.713  -7.641
  110   1HB   LEU  17          2HB       LEU  17   0.614  -6.978  -6.395
  111   2HB   LEU  17          1HB       LEU  17  -0.859  -7.218  -7.377
  112    HG   LEU  17           HG       LEU  17   0.882  -7.705  -8.782
  113   1HD1  LEU  17          1HD1      LEU  17  -0.879  -6.252  -9.838
  114   2HD1  LEU  17          2HD1      LEU  17   0.725  -6.120 -10.645
  115   3HD1  LEU  17          3HD1      LEU  17   0.171  -4.807  -9.554
  116   1HD2  LEU  17          1HD2      LEU  17   2.762  -6.657  -7.494
  117   2HD2  LEU  17          2HD2      LEU  17   2.340  -5.057  -8.206
  118   3HD2  LEU  17          3HD2      LEU  17   2.863  -6.400  -9.283
  119    H    HIS  18           H        HIS  18  -2.801  -6.189  -6.972
  120    HA   HIS  18           HA       HIS  18  -4.401  -6.797  -5.699
  121   1HB   HIS  18          2HB       HIS  18  -2.265  -7.837  -4.617
  122   2HB   HIS  18          1HB       HIS  18  -2.625  -6.798  -3.222
  123    HD1  HIS  18           1HD      HIS  18  -2.642  -9.918  -3.532
  124    HD2  HIS  18           2HD      HIS  18  -6.073  -7.533  -3.353
  125    HE1  HIS  18           1HE      HIS  18  -4.554 -11.420  -2.753
  126    HE2  HIS  18           2HE      HIS  18  -6.575  -9.932  -2.583
  127    H    ASP  19           H        ASP  19  -4.102  -3.989  -6.009
  128    HA   ASP  19           HA       ASP  19  -4.716  -2.081  -5.393
  129   1HB   ASP  19          2HB       ASP  19  -6.842  -3.670  -5.498
  130   2HB   ASP  19          1HB       ASP  19  -7.057  -3.158  -3.792
  131    H    GLY  20           H        GLY  20  -2.868  -1.572  -4.290
  132   1HA   GLY  20          2HA       GLY  20  -2.736  -1.983  -1.454
  133   2HA   GLY  20          1HA       GLY  20  -1.521  -1.232  -2.552
  134    H    VAL  21           H        VAL  21  -1.900  -0.203   0.017
  135    HA   VAL  21           HA       VAL  21  -3.692   2.033  -0.296
  136    HB   VAL  21           HB       VAL  21  -2.063   1.117   2.073
  137   1HG1  VAL  21          1HG1      VAL  21  -4.322   3.225   1.760
  138   2HG1  VAL  21          2HG1      VAL  21  -2.598   3.588   2.148
  139   3HG1  VAL  21          3HG1      VAL  21  -3.604   2.673   3.314
  140   1HG2  VAL  21          1HG2      VAL  21  -3.790  -0.565   1.463
  141   2HG2  VAL  21          2HG2      VAL  21  -5.027   0.736   1.278
  142   3HG2  VAL  21          3HG2      VAL  21  -4.338   0.366   2.896
  143    H    CYS  22           H        CYS  22  -2.757   3.405  -1.732
  144    HA   CYS  22           HA       CYS  22  -0.029   4.221  -1.446
  145   1HB   CYS  22          2HB       CYS  22  -0.887   5.691  -3.513
  146   2HB   CYS  22          1HB       CYS  22  -0.448   3.975  -3.629
  147    H    MET  23           H        MET  23   0.759   6.171  -0.794
  148    HA   MET  23           HA       MET  23  -1.030   8.375  -1.049
  149   1HB   MET  23          2HB       MET  23  -0.795   9.366   1.125
  150   2HB   MET  23          1HB       MET  23  -1.574   7.774   1.251
  151   1HG   MET  23          2HG       MET  23   0.544   6.757   2.058
  152   2HG   MET  23          1HG       MET  23   1.385   8.324   1.885
  153   1HE   MET  23          1HE       MET  23   1.585   6.728   4.472
  154   2HE   MET  23          2HE       MET  23   1.470   8.100   5.625
  155   3HE   MET  23          3HE       MET  23   2.335   8.311   4.070
  156    H    TYR  24           H        TYR  24   0.004   9.911  -2.115
  157    HA   TYR  24           HA       TYR  24   2.786  10.446  -1.451
  158   1HB   TYR  24          2HB       TYR  24   1.660  10.344  -3.886
  159   2HB   TYR  24          1HB       TYR  24   1.139  12.023  -3.502
  160    HD1  TYR  24           1HD      TYR  24   3.543  10.042  -4.943
  161    HD2  TYR  24           2HD      TYR  24   3.146  13.539  -2.547
  162    HE1  TYR  24           1HE      TYR  24   5.711  10.772  -5.685
  163    HE2  TYR  24           2HE      TYR  24   5.343  14.283  -3.258
  164    HH   TYR  24           HH       TYR  24   7.206  12.453  -5.694
  165    H    ILE  25           H        ILE  25   3.278  11.975   0.087
  166    HA   ILE  25           HA       ILE  25   1.240  13.982   0.633
  167    HB   ILE  25           HB       ILE  25   2.581  14.294   2.756
  168   1HG1  ILE  25          2HG1      ILE  25   4.343  12.526   2.155
  169   2HG1  ILE  25          1HG1      ILE  25   3.618  12.548   3.780
  170   1HG2  ILE  25          1HG2      ILE  25   0.965  12.787   3.881
  171   2HG2  ILE  25          2HG2      ILE  25   0.559  12.030   2.287
  172   3HG2  ILE  25          3HG2      ILE  25   0.206  13.776   2.586
  173   1HD1  ILE  25          1HD1      ILE  25   2.173  10.610   3.280
  174   2HD1  ILE  25          2HD1      ILE  25   3.901  10.227   2.974
  175   3HD1  ILE  25          3HD1      ILE  25   2.795  10.542   1.594
  176    H    GLU  26           H        GLU  26   1.647  15.688  -0.485
  177    HA   GLU  26           HA       GLU  26   4.036  16.228  -1.717
  178   1HB   GLU  26          2HB       GLU  26   1.846  16.829  -2.532
  179   2HB   GLU  26          1HB       GLU  26   1.565  17.946  -1.184
  180   1HG   GLU  26          2HG       GLU  26   3.899  18.324  -3.182
  181   2HG   GLU  26          1HG       GLU  26   2.231  18.868  -3.546
  182    H    ALA  27           H        ALA  27   2.732  17.764   1.249
  183    HA   ALA  27           HA       ALA  27   4.666  19.757   1.339
  184   1HB   ALA  27          1HB       ALA  27   2.966  18.499   3.579
  185   2HB   ALA  27          2HB       ALA  27   2.478  19.874   2.523
  186   3HB   ALA  27          3HB       ALA  27   3.826  20.081   3.690
  187    H    LEU  28           H        LEU  28   4.764  16.439   2.481
  188    HA   LEU  28           HA       LEU  28   7.183  16.946   4.003
  189   1HB   LEU  28          2HB       LEU  28   5.961  14.227   3.323
  190   2HB   LEU  28          1HB       LEU  28   7.135  14.634   4.605
  191    HG   LEU  28           HG       LEU  28   4.150  15.245   4.471
  192   1HD1  LEU  28          1HD1      LEU  28   5.905  13.834   6.582
  193   2HD1  LEU  28          2HD1      LEU  28   4.997  12.975   5.295
  194   3HD1  LEU  28          3HD1      LEU  28   4.104  13.907   6.556
  195   1HD2  LEU  28          1HD2      LEU  28   4.333  16.403   6.662
  196   2HD2  LEU  28          2HD2      LEU  28   5.168  17.339   5.378
  197   3HD2  LEU  28          3HD2      LEU  28   6.131  16.358   6.556
  198    H    ASP  29           H        ASP  29   6.187  16.028   0.859
  199    HA   ASP  29           HA       ASP  29   7.126  15.638  -1.002
  200   1HB   ASP  29          2HB       ASP  29   8.839  17.302  -0.173
  201   2HB   ASP  29          1HB       ASP  29   9.882  15.912   0.280
  202    H    LYS  30           H        LYS  30   6.482  13.547   0.972
  203    HA   LYS  30           HA       LYS  30   8.275  11.401   0.061
  204   1HB   LYS  30          2HB       LYS  30   6.727  11.533   2.694
  205   2HB   LYS  30          1HB       LYS  30   7.879  10.264   2.186
  206   1HG   LYS  30          2HG       LYS  30   8.489  13.170   2.933
  207   2HG   LYS  30          1HG       LYS  30   8.923  11.688   3.827
  208   1HD   LYS  30          2HD       LYS  30  10.401  10.996   1.892
  209   2HD   LYS  30          1HD       LYS  30   9.968  12.506   1.049
  210   1HE   LYS  30          2HE       LYS  30  10.889  13.847   3.036
  211   2HE   LYS  30          1HE       LYS  30  11.543  12.297   3.696
  212   1HZ   LYS  30          1HZ       LYS  30  12.186  13.561   1.073
  213   2HZ   LYS  30          2HZ       LYS  30  12.702  12.044   1.501
  214   3HZ   LYS  30          3HZ       LYS  30  13.213  13.407   2.396
  215    H    TYR  31           H        TYR  31   7.423   9.303  -0.165
  216    HA   TYR  31           HA       TYR  31   4.563   9.106   0.063
  217   1HB   TYR  31          2HB       TYR  31   3.917   8.427  -2.046
  218   2HB   TYR  31          1HB       TYR  31   4.836   9.949  -2.215
  219    HD1  TYR  31           1HD      TYR  31   7.455   9.542  -2.655
  220    HD2  TYR  31           2HD      TYR  31   4.259   6.944  -3.634
  221    HE1  TYR  31           1HE      TYR  31   8.747   8.685  -4.570
  222    HE2  TYR  31           2HE      TYR  31   5.469   6.131  -5.571
  223    HH   TYR  31           HH       TYR  31   7.427   6.219  -6.750
  224    H    ALA  32           H        ALA  32   3.596   6.982  -0.098
  225    HA   ALA  32           HA       ALA  32   5.448   4.787   0.157
  226   1HB   ALA  32          1HB       ALA  32   5.371   5.719   2.488
  227   2HB   ALA  32          2HB       ALA  32   4.594   4.100   2.409
  228   3HB   ALA  32          3HB       ALA  32   3.581   5.594   2.468
  229    H    CYS  33           H        CYS  33   4.484   2.732   0.183
  230    HA   CYS  33           HA       CYS  33   1.649   2.617  -0.543
  231   1HB   CYS  33          2HB       CYS  33   3.137   2.265  -2.534
  232   2HB   CYS  33          1HB       CYS  33   3.949   0.936  -1.674
  233    H    ASN  34           H        ASN  34   0.655   1.700   1.185
  234    HA   ASN  34           HA       ASN  34   2.213  -0.147   2.827
  235   1HB   ASN  34          2HB       ASN  34   1.156   1.948   3.824
  236   2HB   ASN  34          1HB       ASN  34  -0.449   1.232   3.475
  237   1HD2  ASN  34          1HD2      ASN  34   2.734   0.319   5.049
  238   2HD2  ASN  34          2HD2      ASN  34   1.992  -0.569   6.346
  239    H    CYS  35           H        CYS  35   1.471  -2.219   3.345
  240    HA   CYS  35           HA       CYS  35  -0.472  -3.229   1.386
  241   1HB   CYS  35          2HB       CYS  35   2.082  -3.512   1.026
  242   2HB   CYS  35          1HB       CYS  35   2.026  -4.692   2.361
  243    H    VAL  36           H        VAL  36  -1.541  -5.165   1.877
  244    HA   VAL  36           HA       VAL  36  -2.403  -5.387   4.558
  245    HB   VAL  36           HB       VAL  36  -2.994  -6.781   1.964
  246   1HG1  VAL  36          1HG1      VAL  36  -4.507  -7.214   4.622
  247   2HG1  VAL  36          2HG1      VAL  36  -3.654  -8.472   3.620
  248   3HG1  VAL  36          3HG1      VAL  36  -5.100  -7.637   2.983
  249   1HG2  VAL  36          1HG2      VAL  36  -4.574  -4.811   3.758
  250   2HG2  VAL  36          2HG2      VAL  36  -5.098  -5.440   2.161
  251   3HG2  VAL  36          3HG2      VAL  36  -3.685  -4.337   2.266
  252    H    VAL  37           H        VAL  37  -2.739  -7.635   5.460
  253    HA   VAL  37           HA       VAL  37  -0.205  -8.554   6.269
  254    HB   VAL  37           HB       VAL  37  -2.962  -9.682   6.835
  255   1HG1  VAL  37          1HG1      VAL  37  -1.128 -11.277   7.471
  256   2HG1  VAL  37          2HG1      VAL  37  -1.839 -10.517   8.925
  257   3HG1  VAL  37          3HG1      VAL  37  -0.253  -9.937   8.319
  258   1HG2  VAL  37          1HG2      VAL  37  -2.902  -7.277   7.477
  259   2HG2  VAL  37          2HG2      VAL  37  -1.291  -7.512   8.261
  260   3HG2  VAL  37          3HG2      VAL  37  -2.758  -8.295   8.941
  261    H    GLY  38           H        GLY  38   0.975 -10.195   5.575
  262   1HA   GLY  38          2HA       GLY  38   1.405 -12.286   4.909
  263   2HA   GLY  38          1HA       GLY  38  -0.299 -12.484   4.386
  264    H    TYR  39           H        TYR  39   1.399  -9.739   3.160
  265    HA   TYR  39           HA       TYR  39   1.897 -11.137   0.621
  266   1HB   TYR  39          2HB       TYR  39   0.981  -8.240   1.155
  267   2HB   TYR  39          1HB       TYR  39   1.470  -8.883  -0.459
  268    HD1  TYR  39           1HD      TYR  39   0.289 -10.979  -1.285
  269    HD2  TYR  39           2HD      TYR  39  -1.237  -8.524   1.829
  270    HE1  TYR  39           1HE      TYR  39  -1.942 -11.907  -1.652
  271    HE2  TYR  39           2HE      TYR  39  -3.469  -9.441   1.467
  272    HH   TYR  39           HH       TYR  39  -4.755 -10.602   0.030
  273    H    ILE  40           H        ILE  40   3.899 -11.000  -0.196
  274    HA   ILE  40           HA       ILE  40   5.789  -9.161   1.082
  275    HB   ILE  40           HB       ILE  40   7.476 -11.018   0.924
  276   1HG1  ILE  40          2HG1      ILE  40   4.954 -12.783   0.837
  277   2HG1  ILE  40          1HG1      ILE  40   6.006 -12.447  -0.579
  278   1HG2  ILE  40          1HG2      ILE  40   6.501 -10.148   3.047
  279   2HG2  ILE  40          2HG2      ILE  40   6.848 -11.909   3.128
  280   3HG2  ILE  40          3HG2      ILE  40   5.149 -11.336   2.917
  281   1HD1  ILE  40          1HD1      ILE  40   7.971 -13.447   0.680
  282   2HD1  ILE  40          2HD1      ILE  40   6.632 -14.621   0.410
  283   3HD1  ILE  40          3HD1      ILE  40   6.856 -13.871   2.029
  284    H    GLY  41           H        GLY  41   7.771  -8.896  -0.156
  285   1HA   GLY  41          2HA       GLY  41   8.885  -8.945  -2.174
  286   2HA   GLY  41          1HA       GLY  41   7.335  -9.143  -3.055
  287    H    GLU  42           H        GLU  42   8.935  -7.305  -4.007
  288    HA   GLU  42           HA       GLU  42   9.186  -4.830  -2.806
  289   1HB   GLU  42          2HB       GLU  42   9.049  -5.694  -5.754
  290   2HB   GLU  42          1HB       GLU  42   9.585  -4.078  -5.237
  291   1HG   GLU  42          2HG       GLU  42  10.991  -6.721  -4.502
  292   2HG   GLU  42          1HG       GLU  42  11.449  -5.609  -5.833
  293    H    ARG  43           H        ARG  43   6.808  -6.113  -5.031
  294    HA   ARG  43           HA       ARG  43   5.168  -3.673  -4.829
  295   1HB   ARG  43          2HB       ARG  43   4.338  -4.440  -7.085
  296   2HB   ARG  43          1HB       ARG  43   6.057  -3.984  -7.014
  297   1HG   ARG  43          2HG       ARG  43   6.720  -6.437  -6.900
  298   2HG   ARG  43          1HG       ARG  43   4.992  -6.864  -7.003
  299   1HD   ARG  43          2HD       ARG  43   5.979  -7.118  -9.186
  300   2HD   ARG  43          1HD       ARG  43   4.901  -5.679  -9.268
  301    HE   ARG  43           HE       ARG  43   7.929  -5.685  -9.050
  302   1HH1  ARG  43          1HH1      ARG  43   5.059  -3.689  -9.786
  303   2HH1  ARG  43          2HH1      ARG  43   5.762  -3.072 -11.259
  304   1HH2  ARG  43          1HH2      ARG  43   8.893  -4.615 -10.838
  305   2HH2  ARG  43          2HH2      ARG  43   8.102  -3.284 -11.578
  306    H    CYS  44           H        CYS  44   5.223  -6.126  -3.011
  307    HA   CYS  44           HA       CYS  44   3.986  -7.653  -2.152
  308   1HB   CYS  44          2HB       CYS  44   1.809  -5.663  -2.795
  309   2HB   CYS  44          1HB       CYS  44   1.414  -7.240  -2.053
  310    H    GLN  45           H        GLN  45   4.933  -8.872  -3.864
  311    HA   GLN  45           HA       GLN  45   3.169  -9.603  -6.025
  312   1HB   GLN  45          2HB       GLN  45   5.611  -8.850  -6.247
  313   2HB   GLN  45          1HB       GLN  45   6.080 -10.333  -5.403
  314   1HG   GLN  45          2HG       GLN  45   6.493 -10.713  -7.663
  315   2HG   GLN  45          1HG       GLN  45   5.011 -11.680  -7.344
  316   1HE2  GLN  45          1HE2      GLN  45   2.873 -10.205  -7.867
  317   2HE2  GLN  45          2HE2      GLN  45   2.994  -9.353  -9.389
  318    H    TYR  46           H        TYR  46   4.724 -11.178  -3.186
  319    HA   TYR  46           HA       TYR  46   3.485 -13.691  -4.094
  320   1HB   TYR  46          2HB       TYR  46   5.773 -13.697  -2.118
  321   2HB   TYR  46          1HB       TYR  46   5.220 -14.969  -3.249
  322    HD1  TYR  46           1HD      TYR  46   5.479 -14.417  -5.779
  323    HD2  TYR  46           2HD      TYR  46   7.508 -12.339  -2.673
  324    HE1  TYR  46           1HE      TYR  46   7.145 -13.663  -7.384
  325    HE2  TYR  46           2HE      TYR  46   9.178 -11.567  -4.273
  326    HH   TYR  46           HH       TYR  46   9.008 -12.477  -7.713
  327    H    ARG  47           H        ARG  47   2.968 -15.216  -2.358
  328    HA   ARG  47           HA       ARG  47   1.685 -13.830  -0.122
  329   1HB   ARG  47          2HB       ARG  47   0.383 -16.039   0.009
  330   2HB   ARG  47          1HB       ARG  47   0.032 -14.949  -1.359
  331   1HG   ARG  47          2HG       ARG  47   1.366 -16.262  -2.914
  332   2HG   ARG  47          1HG       ARG  47   1.952 -17.330  -1.594
  333   1HD   ARG  47          2HD       ARG  47  -0.364 -18.185  -1.250
  334   2HD   ARG  47          1HD       ARG  47  -0.980 -17.081  -2.552
  335    HE   ARG  47           HE       ARG  47   1.274 -18.620  -3.551
  336   1HH1  ARG  47          1HH1      ARG  47  -1.940 -19.476  -2.192
  337   2HH1  ARG  47          2HH1      ARG  47  -2.040 -20.870  -3.246
  338   1HH2  ARG  47          1HH2      ARG  47   0.801 -20.331  -5.125
  339   2HH2  ARG  47          2HH2      ARG  47  -0.525 -21.383  -4.746
  340    H    ASP  48           H        ASP  48   2.175 -14.350   1.948
  341    HA   ASP  48           HA       ASP  48   4.567 -15.924   2.320
  342   1HB   ASP  48          2HB       ASP  48   4.111 -13.565   3.247
  343   2HB   ASP  48          1HB       ASP  48   2.943 -14.326   4.376
  344    H    LEU  49           H        LEU  49   4.421 -18.087   2.761
  345    HA   LEU  49           HA       LEU  49   1.741 -19.031   2.796
  346   1HB   LEU  49          2HB       LEU  49   4.417 -20.435   2.431
  347   2HB   LEU  49          1HB       LEU  49   2.832 -21.240   2.243
  348    HG   LEU  49           HG       LEU  49   3.744 -18.856   0.549
  349   1HD1  LEU  49          1HD1      LEU  49   3.719 -21.883  -0.067
  350   2HD1  LEU  49          2HD1      LEU  49   5.171 -20.847   0.191
  351   3HD1  LEU  49          3HD1      LEU  49   4.112 -20.557  -1.237
  352   1HD2  LEU  49          1HD2      LEU  49   1.275 -18.997   0.618
  353   2HD2  LEU  49          2HD2      LEU  49   1.332 -20.781   0.313
  354   3HD2  LEU  49          3HD2      LEU  49   1.868 -19.620  -0.959
  355    H    LYS  50           H        LYS  50   2.878 -18.141   5.476
  356    HA   LYS  50           HA       LYS  50   3.565 -20.435   6.879
  357   1HB   LYS  50          2HB       LYS  50   2.860 -17.604   7.639
  358   2HB   LYS  50          1HB       LYS  50   2.978 -18.845   8.930
  359   1HG   LYS  50          2HG       LYS  50   5.044 -17.641   8.713
  360   2HG   LYS  50          1HG       LYS  50   5.278 -19.369   8.326
  361   1HD   LYS  50          2HD       LYS  50   5.370 -18.883   5.916
  362   2HD   LYS  50          1HD       LYS  50   4.904 -17.169   6.206
  363   1HE   LYS  50          2HE       LYS  50   7.020 -16.743   7.391
  364   2HE   LYS  50          1HE       LYS  50   7.514 -18.484   7.207
  365   1HZ   LYS  50          1HZ       LYS  50   6.935 -16.590   4.974
  366   2HZ   LYS  50          2HZ       LYS  50   7.428 -18.187   4.792
  367   3HZ   LYS  50          3HZ       LYS  50   8.476 -17.052   5.494
  368    H    TRP  51           H        TRP  51   0.397 -18.852   6.709
  369    HA   TRP  51           HA       TRP  51  -0.807 -21.080   8.142
  370   1HB   TRP  51          2HB       TRP  51  -2.912 -19.694   7.847
  371   2HB   TRP  51          1HB       TRP  51  -1.611 -18.937   8.821
  372    HD1  TRP  51           HD       TRP  51  -3.300 -18.529   5.327
  373    HE1  TRP  51           1HE      TRP  51  -2.135 -16.605   4.118
  374    HE3  TRP  51           3HE      TRP  51   0.063 -17.221   8.906
  375    HZ2  TRP  51           2HZ      TRP  51  -0.278 -14.589   4.714
  376    HZ3  TRP  51           3HZ      TRP  51   1.515 -15.294   8.511
  377    HH2  TRP  51           HH       TRP  51   1.366 -13.996   6.467
  378    H    TRP  52           H        TRP  52  -0.473 -19.826   4.879
  379    HA   TRP  52           HA       TRP  52  -2.554 -21.326   3.769
  380   1HB   TRP  52          2HB       TRP  52   0.002 -20.304   2.423
  381   2HB   TRP  52          1HB       TRP  52  -1.439 -20.922   1.564
  382    HD1  TRP  52           HD       TRP  52   0.017 -17.712   2.126
  383    HE1  TRP  52           1HE      TRP  52  -1.759 -15.871   1.840
  384    HE3  TRP  52           3HE      TRP  52  -4.177 -20.566   2.565
  385    HZ2  TRP  52           2HZ      TRP  52  -4.560 -15.672   1.859
  386    HZ3  TRP  52           3HZ      TRP  52  -6.352 -19.481   2.438
  387    HH2  TRP  52           HH       TRP  52  -6.553 -17.080   2.096
  388    H    GLU  53           H        GLU  53   0.884 -22.155   4.221
  389    HA   GLU  53           HA       GLU  53   0.190 -24.876   3.356
  390   1HB   GLU  53          2HB       GLU  53   2.127 -23.784   2.176
  391   2HB   GLU  53          1HB       GLU  53   3.003 -23.793   3.740
  392   1HG   GLU  53          2HG       GLU  53   2.640 -26.314   3.879
  393   2HG   GLU  53          1HG       GLU  53   1.708 -26.237   2.343
  394    H    LEU  54           H        LEU  54  -1.099 -24.820   5.418
  395    HA   LEU  54           HA       LEU  54   0.675 -25.889   7.499
  396   1HB   LEU  54          2HB       LEU  54  -0.685 -23.716   7.958
  397   2HB   LEU  54          1HB       LEU  54  -2.118 -24.778   7.978
  398    HG   LEU  54           HG       LEU  54  -1.009 -26.110   9.845
  399   1HD1  LEU  54          1HD1      LEU  54   0.907 -25.030  11.084
  400   2HD1  LEU  54          2HD1      LEU  54   1.102 -23.855   9.727
  401   3HD1  LEU  54          3HD1      LEU  54   1.395 -25.619   9.461
  402   1HD2  LEU  54          1HD2      LEU  54  -2.648 -24.268  10.298
  403   2HD2  LEU  54          2HD2      LEU  54  -1.294 -23.073  10.338
  404   3HD2  LEU  54          3HD2      LEU  54  -1.397 -24.367  11.592
  Start of MODEL    6
    1   1H    VAL   1          1HT       VAL   1   7.857  16.516   9.565
    2   2H    VAL   1          2HT       VAL   1   6.461  17.373   9.205
    3   3H    VAL   1          3HT       VAL   1   7.374  16.677   7.976
    4    HA   VAL   1           HA       VAL   1   5.987  15.017   8.016
    5    HB   VAL   1           HB       VAL   1   6.260  13.294   9.750
    6   1HG1  VAL   1          1HG1      VAL   1   8.657  12.899   9.359
    7   2HG1  VAL   1          2HG1      VAL   1   8.898  14.580   8.791
    8   3HG1  VAL   1          3HG1      VAL   1   7.855  13.443   7.851
    9   1HG2  VAL   1          1HG2      VAL   1   7.857  13.646  11.602
   10   2HG2  VAL   1          2HG2      VAL   1   6.444  14.732  11.783
   11   3HG2  VAL   1          3HG2      VAL   1   8.021  15.385  11.203
   12    H    VAL   2           H        VAL   2   3.822  14.153   8.552
   13    HA   VAL   2           HA       VAL   2   2.598  15.411  10.825
   14    HB   VAL   2           HB       VAL   2   0.538  15.615   9.513
   15   1HG1  VAL   2          1HG1      VAL   2   1.171  17.740   8.366
   16   2HG1  VAL   2          2HG1      VAL   2   2.906  17.295   8.456
   17   3HG1  VAL   2          3HG1      VAL   2   1.992  17.596   9.973
   18   1HG2  VAL   2          1HG2      VAL   2   0.675  15.706   7.006
   19   2HG2  VAL   2          2HG2      VAL   2   0.970  14.052   7.632
   20   3HG2  VAL   2          3HG2      VAL   2   2.351  15.063   7.072
   21    H    SER   3           H        SER   3   1.142  14.084  11.847
   22    HA   SER   3           HA       SER   3   1.140  11.296  10.972
   23   1HB   SER   3          2HB       SER   3   0.277  12.573  13.607
   24   2HB   SER   3          1HB       SER   3   0.310  10.804  13.259
   25    HG   SER   3           HG       SER   3   2.159  11.866  14.355
   26    H    HIS   4           H        HIS   4  -0.450  13.007   9.395
   27    HA   HIS   4           HA       HIS   4  -3.080  11.885   9.989
   28   1HB   HIS   4          2HB       HIS   4  -2.494  14.723   9.007
   29   2HB   HIS   4          1HB       HIS   4  -4.113  13.946   8.907
   30    HD1  HIS   4           1HD      HIS   4  -3.805  16.498  10.542
   31    HD2  HIS   4           2HD      HIS   4  -3.514  12.652  12.200
   32    HE1  HIS   4           1HE      HIS   4  -4.467  16.683  12.958
   33    HE2  HIS   4           2HE      HIS   4  -4.273  14.356  13.925
   34    H    PHE   5           H        PHE   5  -4.365  11.569   8.021
   35    HA   PHE   5           HA       PHE   5  -2.515  10.454   6.083
   36   1HB   PHE   5          2HB       PHE   5  -4.239   9.174   7.611
   37   2HB   PHE   5          1HB       PHE   5  -5.457   9.686   6.412
   38    HD1  PHE   5           1HD      PHE   5  -2.472   7.681   7.082
   39    HD2  PHE   5           2HD      PHE   5  -5.288   8.810   4.111
   40    HE1  PHE   5           1HE      PHE   5  -1.741   5.811   5.679
   41    HE2  PHE   5           2HE      PHE   5  -4.565   6.942   2.708
   42    HZ   PHE   5           HZ       PHE   5  -2.803   5.424   3.493
   43    H    ASN   6           H        ASN   6  -2.707  10.636   3.863
   44    HA   ASN   6           HA       ASN   6  -4.734  12.510   2.879
   45   1HB   ASN   6          2HB       ASN   6  -2.152  13.201   3.047
   46   2HB   ASN   6          1HB       ASN   6  -1.984  12.209   1.569
   47   1HD2  ASN   6          1HD2      ASN   6  -3.096  13.033  -0.406
   48   2HD2  ASN   6          2HD2      ASN   6  -3.747  14.644  -0.460
   49    H    ASP   7           H        ASP   7  -5.269  12.257   0.513
   50    HA   ASP   7           HA       ASP   7  -5.435   9.451  -0.068
   51   1HB   ASP   7          2HB       ASP   7  -7.177  10.026  -1.613
   52   2HB   ASP   7          1HB       ASP   7  -7.475  10.825  -0.052
   53    H    CYS   8           H        CYS   8  -5.687   9.472  -2.768
   54    HA   CYS   8           HA       CYS   8  -2.872   9.561  -3.444
   55   1HB   CYS   8          2HB       CYS   8  -5.155   8.195  -4.947
   56   2HB   CYS   8          1HB       CYS   8  -3.399   7.881  -5.124
   57    HA   PRO   9           HA       PRO   9  -3.798  12.300  -6.888
   58   1HB   PRO   9          2HB       PRO   9  -2.174  10.243  -8.482
   59   2HB   PRO   9          1HB       PRO   9  -2.085  12.049  -8.583
   60   1HG   PRO   9          2HG       PRO   9  -0.188  10.695  -7.170
   61   2HG   PRO   9          1HG       PRO   9  -0.957  12.153  -6.407
   62   1HD   PRO   9          2HD       PRO   9  -1.706   9.189  -5.999
   63   2HD   PRO   9          1HD       PRO   9  -1.420  10.479  -4.738
   64    H    LEU  10           H        LEU  10  -4.520  12.112  -9.313
   65    HA   LEU  10           HA       LEU  10  -7.032  11.137  -9.169
   66   1HB   LEU  10          2HB       LEU  10  -5.406  11.834 -11.669
   67   2HB   LEU  10          1HB       LEU  10  -7.179  11.642 -11.609
   68    HG   LEU  10           HG       LEU  10  -6.788  13.908 -11.686
   69   1HD1  LEU  10          1HD1      LEU  10  -8.554  13.235 -10.040
   70   2HD1  LEU  10          2HD1      LEU  10  -7.808  14.827  -9.659
   71   3HD1  LEU  10          3HD1      LEU  10  -7.347  13.376  -8.704
   72   1HD2  LEU  10          1HD2      LEU  10  -4.363  13.936 -11.014
   73   2HD2  LEU  10          2HD2      LEU  10  -4.887  13.923  -9.276
   74   3HD2  LEU  10          3HD2      LEU  10  -5.356  15.282 -10.347
   75    H    SER  11           H        SER  11  -4.365   9.622 -11.001
   76    HA   SER  11           HA       SER  11  -6.003   7.214 -11.208
   77   1HB   SER  11          2HB       SER  11  -4.077   6.150 -12.360
   78   2HB   SER  11          1HB       SER  11  -4.816   7.539 -13.197
   79    HG   SER  11           HG       SER  11  -2.364   7.509 -11.773
   80    H    HIS  12           H        HIS  12  -6.216   6.095  -9.403
   81    HA   HIS  12           HA       HIS  12  -4.157   6.440  -7.384
   82   1HB   HIS  12          2HB       HIS  12  -5.639   5.874  -5.734
   83   2HB   HIS  12          1HB       HIS  12  -6.591   6.864  -6.866
   84    HD1  HIS  12           1HD      HIS  12  -8.371   5.433  -8.300
   85    HD2  HIS  12           2HD      HIS  12  -6.545   3.387  -5.149
   86    HE1  HIS  12           1HE      HIS  12  -9.703   3.290  -7.946
   87    HE2  HIS  12           2HE      HIS  12  -8.589   2.110  -6.013
   88    H    ASP  13           H        ASP  13  -5.644   3.753  -9.228
   89    HA   ASP  13           HA       ASP  13  -3.705   1.948  -7.956
   90   1HB   ASP  13          2HB       ASP  13  -6.316   1.553  -9.501
   91   2HB   ASP  13          1HB       ASP  13  -5.126   0.214  -9.376
   92    H    GLY  14           H        GLY  14  -2.257   0.753  -9.120
   93   1HA   GLY  14          2HA       GLY  14  -2.332   0.482 -11.888
   94   2HA   GLY  14          1HA       GLY  14  -1.183   1.799 -11.439
   95    H    TYR  15           H        TYR  15   0.490   1.244  -9.834
   96    HA   TYR  15           HA       TYR  15   1.687  -1.226 -10.676
   97   1HB   TYR  15          2HB       TYR  15   2.817   1.062 -10.671
   98   2HB   TYR  15          1HB       TYR  15   2.791   1.015  -8.881
   99    HD1  TYR  15           1HD      TYR  15   3.834  -0.985 -11.868
  100    HD2  TYR  15           2HD      TYR  15   4.643   0.070  -7.835
  101    HE1  TYR  15           1HE      TYR  15   5.962  -2.170 -11.992
  102    HE2  TYR  15           2HE      TYR  15   6.785  -1.099  -7.955
  103    HH   TYR  15           HH       TYR  15   8.375  -1.771  -9.549
  104    H    CYS  16           H        CYS  16   0.212   0.054  -7.747
  105    HA   CYS  16           HA       CYS  16   1.420  -2.007  -6.112
  106   1HB   CYS  16          2HB       CYS  16   1.240   0.484  -5.566
  107   2HB   CYS  16          1HB       CYS  16  -0.510   0.238  -5.367
  108    H    LEU  17           H        LEU  17   0.477  -3.965  -6.222
  109    HA   LEU  17           HA       LEU  17  -2.215  -4.217  -7.130
  110   1HB   LEU  17          2HB       LEU  17   0.211  -5.946  -6.845
  111   2HB   LEU  17          1HB       LEU  17  -1.354  -6.782  -6.842
  112    HG   LEU  17           HG       LEU  17  -1.975  -5.835  -9.002
  113   1HD1  LEU  17          1HD1      LEU  17  -0.750  -3.656  -9.041
  114   2HD1  LEU  17          2HD1      LEU  17  -0.304  -4.673 -10.452
  115   3HD1  LEU  17          3HD1      LEU  17   0.825  -4.544  -9.058
  116   1HD2  LEU  17          1HD2      LEU  17  -0.352  -7.136 -10.358
  117   2HD2  LEU  17          2HD2      LEU  17  -0.734  -8.004  -8.822
  118   3HD2  LEU  17          3HD2      LEU  17   0.833  -7.120  -8.993
  119    H    HIS  18           H        HIS  18  -3.442  -6.150  -6.289
  120    HA   HIS  18           HA       HIS  18  -4.966  -6.739  -4.900
  121   1HB   HIS  18          2HB       HIS  18  -2.456  -7.154  -3.329
  122   2HB   HIS  18          1HB       HIS  18  -3.996  -7.371  -2.451
  123    HD1  HIS  18           1HD      HIS  18  -2.923  -9.798  -2.276
  124    HD2  HIS  18           2HD      HIS  18  -4.867  -8.761  -5.856
  125    HE1  HIS  18           1HE      HIS  18  -3.619 -11.930  -3.375
  126    HE2  HIS  18           2HE      HIS  18  -4.872 -11.289  -5.451
  127    H    ASP  19           H        ASP  19  -5.290  -4.114  -5.199
  128    HA   ASP  19           HA       ASP  19  -6.006  -2.257  -4.353
  129   1HB   ASP  19          2HB       ASP  19  -7.338  -4.285  -2.672
  130   2HB   ASP  19          1HB       ASP  19  -7.209  -2.693  -1.846
  131    H    GLY  20           H        GLY  20  -3.902  -1.569  -4.360
  132   1HA   GLY  20          2HA       GLY  20  -2.388  -1.629  -1.901
  133   2HA   GLY  20          1HA       GLY  20  -1.983  -0.872  -3.484
  134    H    VAL  21           H        VAL  21  -2.317  -0.071  -0.353
  135    HA   VAL  21           HA       VAL  21  -4.135   2.128  -0.632
  136    HB   VAL  21           HB       VAL  21  -2.375   1.391   1.714
  137   1HG1  VAL  21          1HG1      VAL  21  -4.083   2.780   2.949
  138   2HG1  VAL  21          2HG1      VAL  21  -4.876   3.196   1.390
  139   3HG1  VAL  21          3HG1      VAL  21  -3.203   3.775   1.740
  140   1HG2  VAL  21          1HG2      VAL  21  -5.287   0.641   1.013
  141   2HG2  VAL  21          2HG2      VAL  21  -4.497   0.374   2.611
  142   3HG2  VAL  21          3HG2      VAL  21  -3.897  -0.502   1.166
  143    H    CYS  22           H        CYS  22  -3.360   3.676  -1.961
  144    HA   CYS  22           HA       CYS  22  -0.592   4.489  -1.803
  145   1HB   CYS  22          2HB       CYS  22  -1.298   6.048  -3.710
  146   2HB   CYS  22          1HB       CYS  22  -1.348   4.295  -3.997
  147    H    MET  23           H        MET  23   0.084   6.722  -1.553
  148    HA   MET  23           HA       MET  23  -1.862   8.595  -0.619
  149   1HB   MET  23          2HB       MET  23  -0.819   9.001   1.586
  150   2HB   MET  23          1HB       MET  23  -1.528   7.373   1.456
  151   1HG   MET  23          2HG       MET  23   0.915   6.594   0.795
  152   2HG   MET  23          1HG       MET  23   1.428   8.167   1.446
  153   1HE   MET  23          1HE       MET  23   0.806   4.558   1.955
  154   2HE   MET  23          2HE       MET  23  -0.899   5.101   2.064
  155   3HE   MET  23          3HE       MET  23  -0.097   4.349   3.487
  156    H    TYR  24           H        TYR  24  -1.208  10.678  -0.933
  157    HA   TYR  24           HA       TYR  24   1.638  11.140  -1.490
  158   1HB   TYR  24          2HB       TYR  24   0.391  11.350  -3.614
  159   2HB   TYR  24          1HB       TYR  24  -0.847  12.376  -2.797
  160    HD1  TYR  24           1HD      TYR  24   2.835  12.922  -2.271
  161    HD2  TYR  24           2HD      TYR  24  -0.727  13.974  -4.359
  162    HE1  TYR  24           1HE      TYR  24   3.877  14.964  -2.998
  163    HE2  TYR  24           2HE      TYR  24   0.310  16.008  -5.123
  164    HH   TYR  24           HH       TYR  24   3.665  16.875  -4.184
  165    H    ILE  25           H        ILE  25   2.452  12.147   0.303
  166    HA   ILE  25           HA       ILE  25   0.654  13.945   1.736
  167    HB   ILE  25           HB       ILE  25   2.471  13.693   3.508
  168   1HG1  ILE  25          2HG1      ILE  25   3.948  12.221   1.949
  169   2HG1  ILE  25          1HG1      ILE  25   3.720  11.791   3.660
  170   1HG2  ILE  25          1HG2      ILE  25   0.120  13.157   3.780
  171   2HG2  ILE  25          2HG2      ILE  25   1.115  11.833   4.473
  172   3HG2  ILE  25          3HG2      ILE  25   0.313  11.605   2.883
  173   1HD1  ILE  25          1HD1      ILE  25   3.651   9.787   2.191
  174   2HD1  ILE  25          2HD1      ILE  25   2.165  10.413   1.394
  175   3HD1  ILE  25          3HD1      ILE  25   2.143  10.000   3.143
  176    H    GLU  26           H        GLU  26   0.846  15.894   0.940
  177    HA   GLU  26           HA       GLU  26   2.997  17.050  -0.274
  178   1HB   GLU  26          2HB       GLU  26   0.578  17.752  -0.304
  179   2HB   GLU  26          1HB       GLU  26   0.756  18.333   1.373
  180   1HG   GLU  26          2HG       GLU  26   2.536  20.005   0.499
  181   2HG   GLU  26          1HG       GLU  26   2.132  19.441  -1.165
  182    H    ALA  27           H        ALA  27   2.158  16.997   3.172
  183    HA   ALA  27           HA       ALA  27   3.941  18.845   4.118
  184   1HB   ALA  27          1HB       ALA  27   2.103  17.846   5.425
  185   2HB   ALA  27          2HB       ALA  27   3.659  17.606   6.290
  186   3HB   ALA  27          3HB       ALA  27   2.903  16.237   5.363
  187    H    LEU  28           H        LEU  28   4.556  15.399   3.496
  188    HA   LEU  28           HA       LEU  28   7.286  15.620   4.359
  189   1HB   LEU  28          2HB       LEU  28   5.586  13.352   3.203
  190   2HB   LEU  28          1HB       LEU  28   7.342  13.209   3.534
  191    HG   LEU  28           HG       LEU  28   6.888  13.981   5.901
  192   1HD1  LEU  28          1HD1      LEU  28   3.980  13.243   5.200
  193   2HD1  LEU  28          2HD1      LEU  28   4.606  14.801   5.879
  194   3HD1  LEU  28          3HD1      LEU  28   4.644  13.291   6.866
  195   1HD2  LEU  28          1HD2      LEU  28   7.521  11.653   5.253
  196   2HD2  LEU  28          2HD2      LEU  28   5.793  11.247   4.953
  197   3HD2  LEU  28          3HD2      LEU  28   6.351  11.634   6.620
  198    H    ASP  29           H        ASP  29   5.430  15.603   1.434
  199    HA   ASP  29           HA       ASP  29   5.753  16.245  -0.554
  200   1HB   ASP  29          2HB       ASP  29   7.756  17.606   0.392
  201   2HB   ASP  29          1HB       ASP  29   8.793  16.323  -0.307
  202    H    LYS  30           H        LYS  30   6.292  13.450   0.722
  203    HA   LYS  30           HA       LYS  30   7.048  12.113  -1.780
  204   1HB   LYS  30          2HB       LYS  30   7.398  11.273   1.162
  205   2HB   LYS  30          1HB       LYS  30   7.806  10.233  -0.233
  206   1HG   LYS  30          2HG       LYS  30   9.199  12.858   0.509
  207   2HG   LYS  30          1HG       LYS  30   9.829  11.181   0.616
  208   1HD   LYS  30          2HD       LYS  30   9.277  11.020  -1.925
  209   2HD   LYS  30          1HD       LYS  30   9.112  12.803  -1.874
  210   1HE   LYS  30          2HE       LYS  30  11.505  13.066  -1.298
  211   2HE   LYS  30          1HE       LYS  30  11.689  11.278  -1.058
  212   1HZ   LYS  30          1HZ       LYS  30  10.807  12.482  -3.636
  213   2HZ   LYS  30          2HZ       LYS  30  11.304  10.907  -3.352
  214   3HZ   LYS  30          3HZ       LYS  30  12.422  12.152  -3.300
  215    H    TYR  31           H        TYR  31   6.417   9.695  -1.563
  216    HA   TYR  31           HA       TYR  31   3.515   9.635  -1.196
  217   1HB   TYR  31          2HB       TYR  31   4.930   7.939  -3.312
  218   2HB   TYR  31          1HB       TYR  31   3.228   8.496  -3.258
  219    HD1  TYR  31           1HD      TYR  31   2.683  10.709  -4.106
  220    HD2  TYR  31           2HD      TYR  31   6.681   9.317  -4.015
  221    HE1  TYR  31           1HE      TYR  31   3.360  12.596  -5.530
  222    HE2  TYR  31           2HE      TYR  31   7.382  11.206  -5.431
  223    HH   TYR  31           HH       TYR  31   5.068  13.706  -6.460
  224    H    ALA  32           H        ALA  32   2.795   7.262  -1.036
  225    HA   ALA  32           HA       ALA  32   4.887   5.383  -0.873
  226   1HB   ALA  32          1HB       ALA  32   4.930   6.140   1.540
  227   2HB   ALA  32          2HB       ALA  32   4.331   4.451   1.429
  228   3HB   ALA  32          3HB       ALA  32   3.170   5.811   1.670
  229    H    CYS  33           H        CYS  33   3.994   3.109  -0.687
  230    HA   CYS  33           HA       CYS  33   1.103   3.026  -0.807
  231   1HB   CYS  33          2HB       CYS  33   2.031   2.607  -3.149
  232   2HB   CYS  33          1HB       CYS  33   2.796   1.129  -2.501
  233    H    ASN  34           H        ASN  34   0.221   1.584   0.582
  234    HA   ASN  34           HA       ASN  34   2.012  -0.397   1.834
  235   1HB   ASN  34          2HB       ASN  34  -0.472   1.081   2.846
  236   2HB   ASN  34          1HB       ASN  34   0.018  -0.501   3.549
  237   1HD2  ASN  34          1HD2      ASN  34   0.897  -0.103   5.485
  238   2HD2  ASN  34          2HD2      ASN  34   2.030   1.175   5.842
  239    H    CYS  35           H        CYS  35   1.129  -2.538   2.166
  240    HA   CYS  35           HA       CYS  35  -1.116  -3.131   0.398
  241   1HB   CYS  35          2HB       CYS  35   0.101  -5.092  -0.541
  242   2HB   CYS  35          1HB       CYS  35   0.815  -3.514  -0.984
  243    H    VAL  36           H        VAL  36  -1.675  -5.517   0.568
  244    HA   VAL  36           HA       VAL  36  -2.643  -5.939   3.105
  245    HB   VAL  36           HB       VAL  36  -2.316  -7.981   0.907
  246   1HG1  VAL  36          1HG1      VAL  36  -3.213  -9.047   2.949
  247   2HG1  VAL  36          2HG1      VAL  36  -4.540  -8.821   1.772
  248   3HG1  VAL  36          3HG1      VAL  36  -4.404  -7.694   3.164
  249   1HG2  VAL  36          1HG2      VAL  36  -3.342  -5.995  -0.131
  250   2HG2  VAL  36          2HG2      VAL  36  -4.410  -5.739   1.305
  251   3HG2  VAL  36          3HG2      VAL  36  -4.656  -7.153   0.226
  252    H    VAL  37           H        VAL  37  -2.359  -7.757   4.546
  253    HA   VAL  37           HA       VAL  37   0.444  -8.034   5.119
  254    HB   VAL  37           HB       VAL  37  -1.972  -8.904   6.731
  255   1HG1  VAL  37          1HG1      VAL  37   1.018  -8.530   7.456
  256   2HG1  VAL  37          2HG1      VAL  37   0.125 -10.099   7.428
  257   3HG1  VAL  37          3HG1      VAL  37  -0.308  -8.839   8.624
  258   1HG2  VAL  37          1HG2      VAL  37  -0.263  -6.329   6.775
  259   2HG2  VAL  37          2HG2      VAL  37  -1.454  -6.806   8.037
  260   3HG2  VAL  37          3HG2      VAL  37  -2.019  -6.442   6.372
  261    H    GLY  38           H        GLY  38   1.601  -9.913   5.123
  262   1HA   GLY  38          2HA       GLY  38   2.033 -12.093   4.876
  263   2HA   GLY  38          1HA       GLY  38   0.310 -12.428   4.508
  264    H    TYR  39           H        TYR  39   1.835  -9.849   2.821
  265    HA   TYR  39           HA       TYR  39   2.328 -11.541   0.482
  266   1HB   TYR  39          2HB       TYR  39   0.879  -8.812   0.658
  267   2HB   TYR  39          1HB       TYR  39   1.618  -9.419  -0.858
  268    HD1  TYR  39           1HD      TYR  39  -1.199  -9.813   1.383
  269    HD2  TYR  39           2HD      TYR  39   0.997 -11.575  -1.786
  270    HE1  TYR  39           1HE      TYR  39  -3.162 -11.157   0.781
  271    HE2  TYR  39           2HE      TYR  39  -0.925 -12.981  -2.348
  272    HH   TYR  39           HH       TYR  39  -4.073 -12.430  -0.906
  273    H    ILE  40           H        ILE  40   4.172 -11.158  -0.620
  274    HA   ILE  40           HA       ILE  40   5.935  -9.059   0.417
  275    HB   ILE  40           HB       ILE  40   7.793 -10.750   0.151
  276   1HG1  ILE  40          2HG1      ILE  40   5.430 -12.725   0.285
  277   2HG1  ILE  40          1HG1      ILE  40   6.396 -12.375  -1.192
  278   1HG2  ILE  40          1HG2      ILE  40   5.678 -11.233   2.338
  279   2HG2  ILE  40          2HG2      ILE  40   6.895  -9.894   2.305
  280   3HG2  ILE  40          3HG2      ILE  40   7.439 -11.599   2.423
  281   1HD1  ILE  40          1HD1      ILE  40   8.475 -13.145   0.047
  282   2HD1  ILE  40          2HD1      ILE  40   7.234 -14.439  -0.145
  283   3HD1  ILE  40          3HD1      ILE  40   7.436 -13.623   1.440
  284    H    GLY  41           H        GLY  41   7.703  -8.481  -0.856
  285   1HA   GLY  41          2HA       GLY  41   8.900  -8.402  -2.778
  286   2HA   GLY  41          1HA       GLY  41   7.548  -9.132  -3.699
  287    H    GLU  42           H        GLU  42   8.356  -7.242  -5.127
  288    HA   GLU  42           HA       GLU  42   8.295  -4.640  -4.331
  289   1HB   GLU  42          2HB       GLU  42   7.687  -5.774  -7.111
  290   2HB   GLU  42          1HB       GLU  42   8.152  -4.084  -6.777
  291   1HG   GLU  42          2HG       GLU  42  10.405  -4.732  -6.107
  292   2HG   GLU  42          1HG       GLU  42   9.993  -6.485  -6.176
  293    H    ARG  43           H        ARG  43   5.767  -6.424  -6.054
  294    HA   ARG  43           HA       ARG  43   3.906  -4.182  -5.699
  295   1HB   ARG  43          2HB       ARG  43   2.703  -5.154  -7.609
  296   2HB   ARG  43          1HB       ARG  43   4.405  -4.804  -7.978
  297   1HG   ARG  43          2HG       ARG  43   4.708  -7.439  -7.259
  298   2HG   ARG  43          1HG       ARG  43   3.004  -7.462  -7.762
  299   1HD   ARG  43          2HD       ARG  43   4.335  -8.050  -9.699
  300   2HD   ARG  43          1HD       ARG  43   3.757  -6.366  -9.981
  301    HE   ARG  43           HE       ARG  43   6.509  -7.089  -8.869
  302   1HH1  ARG  43          1HH1      ARG  43   4.669  -4.882 -11.025
  303   2HH1  ARG  43          2HH1      ARG  43   6.064  -4.655 -12.031
  304   1HH2  ARG  43          1HH2      ARG  43   8.359  -6.168  -9.979
  305   2HH2  ARG  43          2HH2      ARG  43   8.053  -5.366 -11.465
  306    H    CYS  44           H        CYS  44   4.775  -6.473  -3.803
  307    HA   CYS  44           HA       CYS  44   3.981  -7.895  -2.413
  308   1HB   CYS  44          2HB       CYS  44   1.419  -6.271  -2.379
  309   2HB   CYS  44          1HB       CYS  44   2.074  -7.305  -1.073
  310    H    GLN  45           H        GLN  45   3.932  -9.180  -4.637
  311    HA   GLN  45           HA       GLN  45   1.274 -10.192  -5.158
  312   1HB   GLN  45          2HB       GLN  45   3.028  -9.527  -6.907
  313   2HB   GLN  45          1HB       GLN  45   3.860 -11.047  -6.495
  314   1HG   GLN  45          2HG       GLN  45   1.635 -12.279  -7.030
  315   2HG   GLN  45          1HG       GLN  45   0.981 -10.692  -7.583
  316   1HE2  GLN  45          1HE2      GLN  45   2.336  -9.564  -9.307
  317   2HE2  GLN  45          2HE2      GLN  45   3.064 -10.578 -10.534
  318    H    TYR  46           H        TYR  46   4.353 -11.458  -3.758
  319    HA   TYR  46           HA       TYR  46   3.283 -14.113  -4.100
  320   1HB   TYR  46          2HB       TYR  46   5.938 -13.457  -2.791
  321   2HB   TYR  46          1HB       TYR  46   5.430 -14.978  -3.600
  322    HD1  TYR  46           1HD      TYR  46   7.647 -12.592  -3.924
  323    HD2  TYR  46           2HD      TYR  46   4.370 -14.102  -6.183
  324    HE1  TYR  46           1HE      TYR  46   8.681 -11.769  -5.967
  325    HE2  TYR  46           2HE      TYR  46   5.394 -13.281  -8.223
  326    HH   TYR  46           HH       TYR  46   8.603 -11.823  -8.265
  327    H    ARG  47           H        ARG  47   3.133 -15.678  -2.434
  328    HA   ARG  47           HA       ARG  47   1.828 -14.415  -0.180
  329   1HB   ARG  47          2HB       ARG  47   1.723 -17.300  -1.156
  330   2HB   ARG  47          1HB       ARG  47   0.586 -16.503  -0.020
  331   1HG   ARG  47          2HG       ARG  47  -0.148 -14.983  -1.896
  332   2HG   ARG  47          1HG       ARG  47   1.016 -15.803  -2.993
  333   1HD   ARG  47          2HD       ARG  47  -0.203 -18.003  -2.538
  334   2HD   ARG  47          1HD       ARG  47  -1.495 -17.032  -1.706
  335    HE   ARG  47           HE       ARG  47  -1.010 -15.782  -4.241
  336   1HH1  ARG  47          1HH1      ARG  47  -2.353 -18.888  -3.107
  337   2HH1  ARG  47          2HH1      ARG  47  -2.979 -19.281  -4.645
  338   1HH2  ARG  47          1HH2      ARG  47  -1.804 -16.386  -6.249
  339   2HH2  ARG  47          2HH2      ARG  47  -2.448 -17.974  -6.500
  340    H    ASP  48           H        ASP  48   2.415 -14.593   1.911
  341    HA   ASP  48           HA       ASP  48   4.843 -15.988   2.506
  342   1HB   ASP  48          2HB       ASP  48   4.287 -13.642   3.277
  343   2HB   ASP  48          1HB       ASP  48   2.982 -14.334   4.301
  344    H    LEU  49           H        LEU  49   5.094 -17.711   3.902
  345    HA   LEU  49           HA       LEU  49   2.824 -19.457   3.754
  346   1HB   LEU  49          2HB       LEU  49   4.302 -21.252   3.862
  347   2HB   LEU  49          1HB       LEU  49   5.032 -20.044   2.781
  348    HG   LEU  49           HG       LEU  49   5.848 -20.487   5.717
  349   1HD1  LEU  49          1HD1      LEU  49   7.123 -21.536   3.124
  350   2HD1  LEU  49          2HD1      LEU  49   6.240 -22.515   4.357
  351   3HD1  LEU  49          3HD1      LEU  49   7.798 -21.709   4.785
  352   1HD2  LEU  49          1HD2      LEU  49   6.547 -18.220   4.965
  353   2HD2  LEU  49          2HD2      LEU  49   7.251 -18.933   3.456
  354   3HD2  LEU  49          3HD2      LEU  49   7.963 -19.314   5.063
  355    H    LYS  50           H        LYS  50   3.791 -17.528   6.260
  356    HA   LYS  50           HA       LYS  50   4.275 -19.364   8.244
  357   1HB   LYS  50          2HB       LYS  50   3.291 -16.505   8.607
  358   2HB   LYS  50          1HB       LYS  50   4.186 -17.493   9.802
  359   1HG   LYS  50          2HG       LYS  50   5.248 -16.444   7.116
  360   2HG   LYS  50          1HG       LYS  50   5.631 -15.817   8.733
  361   1HD   LYS  50          2HD       LYS  50   6.313 -18.629   7.686
  362   2HD   LYS  50          1HD       LYS  50   7.430 -17.225   7.745
  363   1HE   LYS  50          2HE       LYS  50   7.231 -17.176  10.269
  364   2HE   LYS  50          1HE       LYS  50   6.145 -18.627  10.190
  365   1HZ   LYS  50          1HZ       LYS  50   7.943 -19.866   9.184
  366   2HZ   LYS  50          2HZ       LYS  50   8.435 -19.177  10.653
  367   3HZ   LYS  50          3HZ       LYS  50   8.949 -18.513   9.183
  368    H    TRP  51           H        TRP  51   1.126 -17.756   7.650
  369    HA   TRP  51           HA       TRP  51   0.017 -19.270   9.845
  370   1HB   TRP  51          2HB       TRP  51  -2.193 -18.415   9.031
  371   2HB   TRP  51          1HB       TRP  51  -0.996 -17.234   9.662
  372    HD1  TRP  51           HD       TRP  51  -2.070 -18.468   6.063
  373    HE1  TRP  51           1HE      TRP  51  -2.127 -16.341   4.567
  374    HE3  TRP  51           3HE      TRP  51  -0.851 -15.000   9.559
  375    HZ2  TRP  51           2HZ      TRP  51  -2.002 -13.574   4.946
  376    HZ3  TRP  51           3HZ      TRP  51  -0.922 -12.640   8.957
  377    HH2  TRP  51           HH       TRP  51  -1.487 -11.925   6.703
  378    H    TRP  52           H        TRP  52   0.392 -19.762   6.451
  379    HA   TRP  52           HA       TRP  52  -1.666 -21.711   6.227
  380   1HB   TRP  52          2HB       TRP  52   0.777 -21.132   4.458
  381   2HB   TRP  52          1HB       TRP  52  -0.546 -22.267   4.027
  382    HD1  TRP  52           HD       TRP  52   0.394 -18.772   3.373
  383    HE1  TRP  52           1HE      TRP  52  -1.673 -17.443   2.563
  384    HE3  TRP  52           3HE      TRP  52  -3.250 -22.114   4.537
  385    HZ2  TRP  52           2HZ      TRP  52  -4.399 -17.934   2.120
  386    HZ3  TRP  52           3HZ      TRP  52  -5.552 -21.624   3.895
  387    HH2  TRP  52           HH       TRP  52  -6.123 -19.579   2.701
  388    H    GLU  53           H        GLU  53   1.889 -22.101   6.193
  389    HA   GLU  53           HA       GLU  53   1.418 -24.986   6.241
  390   1HB   GLU  53          2HB       GLU  53   2.770 -23.608   4.444
  391   2HB   GLU  53          1HB       GLU  53   4.080 -23.666   5.633
  392   1HG   GLU  53          2HG       GLU  53   4.433 -25.552   4.179
  393   2HG   GLU  53          1HG       GLU  53   3.713 -26.278   5.658
  394    H    LEU  54           H        LEU  54   0.847 -24.475   8.608
  395    HA   LEU  54           HA       LEU  54   3.287 -24.679  10.227
  396   1HB   LEU  54          2HB       LEU  54   1.735 -22.485  10.135
  397   2HB   LEU  54          1HB       LEU  54   0.742 -23.414  11.280
  398    HG   LEU  54           HG       LEU  54   2.232 -21.870  12.409
  399   1HD1  LEU  54          1HD1      LEU  54   3.339 -24.702  12.883
  400   2HD1  LEU  54          2HD1      LEU  54   1.814 -24.024  13.587
  401   3HD1  LEU  54          3HD1      LEU  54   3.407 -23.306  14.018
  402   1HD2  LEU  54          1HD2      LEU  54   4.646 -23.288  11.118
  403   2HD2  LEU  54          2HD2      LEU  54   4.690 -21.943  12.310
  404   3HD2  LEU  54          3HD2      LEU  54   4.002 -21.665  10.663
  Start of MODEL    7
    1   1H    VAL   1          1HT       VAL   1   8.172  18.381   7.613
    2   2H    VAL   1          2HT       VAL   1   8.000  20.048   7.654
    3   3H    VAL   1          3HT       VAL   1   7.056  19.171   6.619
    4    HA   VAL   1           HA       VAL   1   6.834  18.180   9.253
    5    HB   VAL   1           HB       VAL   1   5.659  20.035  10.339
    6   1HG1  VAL   1          1HG1      VAL   1   8.045  19.507  10.821
    7   2HG1  VAL   1          2HG1      VAL   1   7.669  21.251  10.988
    8   3HG1  VAL   1          3HG1      VAL   1   8.570  20.678   9.548
    9   1HG2  VAL   1          1HG2      VAL   1   4.973  21.375   8.334
   10   2HG2  VAL   1          2HG2      VAL   1   6.697  21.743   7.971
   11   3HG2  VAL   1          3HG2      VAL   1   5.947  22.345   9.484
   12    H    VAL   2           H        VAL   2   4.694  17.545   9.880
   13    HA   VAL   2           HA       VAL   2   3.062  17.290   7.527
   14    HB   VAL   2           HB       VAL   2   3.725  15.305   8.529
   15   1HG1  VAL   2          1HG1      VAL   2   2.233  16.180  11.083
   16   2HG1  VAL   2          2HG1      VAL   2   4.021  15.975  10.912
   17   3HG1  VAL   2          3HG1      VAL   2   2.936  14.562  10.751
   18   1HG2  VAL   2          1HG2      VAL   2   1.549  14.229   8.613
   19   2HG2  VAL   2          2HG2      VAL   2   1.467  15.557   7.401
   20   3HG2  VAL   2          3HG2      VAL   2   0.713  15.764   9.034
   21    H    SER   3           H        SER   3   1.364  18.476   7.098
   22    HA   SER   3           HA       SER   3   0.109  19.952   9.285
   23   1HB   SER   3          2HB       SER   3  -0.196  20.267   6.255
   24   2HB   SER   3          1HB       SER   3  -0.896  21.341   7.516
   25    HG   SER   3           HG       SER   3   1.146  21.963   8.078
   26    H    HIS   4           H        HIS   4  -0.942  17.985   6.396
   27    HA   HIS   4           HA       HIS   4  -3.142  17.034   8.089
   28   1HB   HIS   4          2HB       HIS   4  -3.151  17.440   5.041
   29   2HB   HIS   4          1HB       HIS   4  -4.415  16.585   5.981
   30    HD1  HIS   4           1HD      HIS   4  -3.150  20.087   5.295
   31    HD2  HIS   4           2HD      HIS   4  -6.379  18.121   7.116
   32    HE1  HIS   4           1HE      HIS   4  -4.844  21.824   5.780
   33    HE2  HIS   4           2HE      HIS   4  -6.787  20.659   6.894
   34    H    PHE   5           H        PHE   5  -3.766  14.806   7.604
   35    HA   PHE   5           HA       PHE   5  -1.725  13.366   6.062
   36   1HB   PHE   5          2HB       PHE   5  -2.306  12.867   8.747
   37   2HB   PHE   5          1HB       PHE   5  -3.428  11.729   7.939
   38    HD1  PHE   5           1HD      PHE   5  -2.434  10.108   6.255
   39    HD2  PHE   5           2HD      PHE   5  -0.007  12.563   8.734
   40    HE1  PHE   5           1HE      PHE   5  -0.519   8.671   5.791
   41    HE2  PHE   5           2HE      PHE   5   1.934  11.143   8.225
   42    HZ   PHE   5           HZ       PHE   5   1.674   9.192   6.766
   43    H    ASN   6           H        ASN   6  -2.476  11.994   4.434
   44    HA   ASN   6           HA       ASN   6  -5.368  11.991   4.028
   45   1HB   ASN   6          2HB       ASN   6  -3.315  12.515   1.800
   46   2HB   ASN   6          1HB       ASN   6  -5.098  12.476   1.629
   47   1HD2  ASN   6          1HD2      ASN   6  -5.833  14.184   3.870
   48   2HD2  ASN   6          2HD2      ASN   6  -5.367  15.774   3.352
   49    H    ASP   7           H        ASP   7  -6.046  10.234   2.641
   50    HA   ASP   7           HA       ASP   7  -4.037   8.133   2.243
   51   1HB   ASP   7          2HB       ASP   7  -7.107   8.144   2.038
   52   2HB   ASP   7          1HB       ASP   7  -6.069   6.746   1.563
   53    H    CYS   8           H        CYS   8  -4.281   7.060   0.047
   54    HA   CYS   8           HA       CYS   8  -3.954   9.113  -1.941
   55   1HB   CYS   8          2HB       CYS   8  -2.391   7.230  -1.460
   56   2HB   CYS   8          1HB       CYS   8  -3.675   6.066  -1.861
   57    HA   PRO   9           HA       PRO   9  -7.976   8.274  -3.509
   58   1HB   PRO   9          2HB       PRO   9  -7.775   8.781  -6.255
   59   2HB   PRO   9          1HB       PRO   9  -7.775  10.057  -4.981
   60   1HG   PRO   9          2HG       PRO   9  -5.310   8.746  -6.268
   61   2HG   PRO   9          1HG       PRO   9  -5.670  10.525  -6.099
   62   1HD   PRO   9          2HD       PRO   9  -4.084   9.256  -4.265
   63   2HD   PRO   9          1HD       PRO   9  -5.366  10.410  -3.679
   64    H    LEU  10           H        LEU  10  -9.273   6.847  -4.772
   65    HA   LEU  10           HA       LEU  10  -8.767   4.382  -4.154
   66   1HB   LEU  10          2HB       LEU  10 -10.940   5.361  -4.777
   67   2HB   LEU  10          1HB       LEU  10 -10.466   5.381  -6.492
   68    HG   LEU  10           HG       LEU  10 -10.415   2.873  -6.511
   69   1HD1  LEU  10          1HD1      LEU  10  -9.842   2.361  -4.148
   70   2HD1  LEU  10          2HD1      LEU  10 -11.434   1.632  -4.555
   71   3HD1  LEU  10          3HD1      LEU  10 -11.364   3.147  -3.587
   72   1HD2  LEU  10          1HD2      LEU  10 -12.480   4.107  -7.144
   73   2HD2  LEU  10          2HD2      LEU  10 -13.027   4.097  -5.422
   74   3HD2  LEU  10          3HD2      LEU  10 -12.872   2.547  -6.331
   75    H    SER  11           H        SER  11  -8.464   5.326  -7.574
   76    HA   SER  11           HA       SER  11  -6.367   3.298  -7.871
   77   1HB   SER  11          2HB       SER  11  -8.440   2.137  -8.602
   78   2HB   SER  11          1HB       SER  11  -8.833   3.505  -9.679
   79    HG   SER  11           HG       SER  11  -6.402   2.054  -9.901
   80    H    HIS  12           H        HIS  12  -4.660   4.547  -8.409
   81    HA   HIS  12           HA       HIS  12  -5.039   6.373 -10.642
   82   1HB   HIS  12          2HB       HIS  12  -5.594   7.568  -8.399
   83   2HB   HIS  12          1HB       HIS  12  -3.859   7.444  -8.020
   84    HD1  HIS  12           1HD      HIS  12  -6.328   9.553  -9.680
   85    HD2  HIS  12           2HD      HIS  12  -2.238   8.809 -10.260
   86    HE1  HIS  12           1HE      HIS  12  -5.422  11.485 -10.982
   87    HE2  HIS  12           2HE      HIS  12  -2.969  11.024 -11.334
   88    H    ASP  13           H        ASP  13  -2.776   4.874  -8.305
   89    HA   ASP  13           HA       ASP  13  -0.636   5.299 -10.247
   90   1HB   ASP  13          2HB       ASP  13  -0.543   6.118  -7.759
   91   2HB   ASP  13          1HB       ASP  13  -0.356   4.386  -7.331
   92    H    GLY  14           H        GLY  14   0.774   3.350 -10.579
   93   1HA   GLY  14          2HA       GLY  14  -0.759   0.854 -10.288
   94   2HA   GLY  14          1HA       GLY  14  -0.145   1.457 -11.862
   95    H    TYR  15           H        TYR  15   1.972   2.161  -9.304
   96    HA   TYR  15           HA       TYR  15   3.810   0.185 -10.230
   97   1HB   TYR  15          2HB       TYR  15   4.454   2.568  -9.696
   98   2HB   TYR  15          1HB       TYR  15   4.048   2.260  -7.979
   99    HD1  TYR  15           1HD      TYR  15   5.957   0.293 -10.591
  100    HD2  TYR  15           2HD      TYR  15   6.012   2.256  -6.820
  101    HE1  TYR  15           1HE      TYR  15   8.213  -0.537 -10.190
  102    HE2  TYR  15           2HE      TYR  15   8.262   1.393  -6.405
  103    HH   TYR  15           HH       TYR  15   9.886  -0.019  -7.115
  104    H    CYS  16           H        CYS  16   1.633   0.542  -7.499
  105    HA   CYS  16           HA       CYS  16   2.758  -1.858  -6.274
  106   1HB   CYS  16          2HB       CYS  16   2.034   0.241  -4.999
  107   2HB   CYS  16          1HB       CYS  16   0.345  -0.200  -5.385
  108    H    LEU  17           H        LEU  17   1.910  -3.879  -6.598
  109    HA   LEU  17           HA       LEU  17  -0.290  -4.013  -8.495
  110   1HB   LEU  17          2HB       LEU  17   1.821  -6.030  -7.611
  111   2HB   LEU  17          1HB       LEU  17   0.457  -6.438  -8.688
  112    HG   LEU  17           HG       LEU  17   2.317  -6.205 -10.042
  113   1HD1  LEU  17          1HD1      LEU  17   0.747  -3.582 -10.408
  114   2HD1  LEU  17          2HD1      LEU  17   0.216  -5.216 -10.982
  115   3HD1  LEU  17          3HD1      LEU  17   1.706  -4.458 -11.650
  116   1HD2  LEU  17          1HD2      LEU  17   3.809  -4.868  -8.549
  117   2HD2  LEU  17          2HD2      LEU  17   2.894  -3.369  -8.999
  118   3HD2  LEU  17          3HD2      LEU  17   3.796  -4.280 -10.253
  119    H    HIS  18           H        HIS  18  -1.619  -6.014  -8.281
  120    HA   HIS  18           HA       HIS  18  -3.304  -6.971  -7.332
  121   1HB   HIS  18          2HB       HIS  18  -1.229  -8.125  -6.317
  122   2HB   HIS  18          1HB       HIS  18  -1.660  -7.330  -4.794
  123    HD1  HIS  18           1HD      HIS  18  -4.181  -8.114  -3.908
  124    HD2  HIS  18           2HD      HIS  18  -2.513 -10.421  -6.975
  125    HE1  HIS  18           1HE      HIS  18  -5.342 -10.359  -3.844
  126    HE2  HIS  18           2HE      HIS  18  -4.343 -11.707  -5.729
  127    H    ASP  19           H        ASP  19  -3.366  -4.178  -7.085
  128    HA   ASP  19           HA       ASP  19  -4.197  -2.481  -6.083
  129   1HB   ASP  19          2HB       ASP  19  -6.206  -3.737  -6.809
  130   2HB   ASP  19          1HB       ASP  19  -6.377  -4.408  -5.152
  131    H    GLY  20           H        GLY  20  -2.346  -2.199  -4.777
  132   1HA   GLY  20          2HA       GLY  20  -2.643  -2.912  -1.973
  133   2HA   GLY  20          1HA       GLY  20  -1.247  -2.156  -2.811
  134    H    VAL  21           H        VAL  21  -2.126  -1.260  -0.295
  135    HA   VAL  21           HA       VAL  21  -3.890   0.962  -0.737
  136    HB   VAL  21           HB       VAL  21  -2.491   0.049   1.781
  137   1HG1  VAL  21          1HG1      VAL  21  -3.125   2.494   1.844
  138   2HG1  VAL  21          2HG1      VAL  21  -4.224   1.516   2.873
  139   3HG1  VAL  21          3HG1      VAL  21  -4.778   2.076   1.256
  140   1HG2  VAL  21          1HG2      VAL  21  -5.347  -0.411   0.691
  141   2HG2  VAL  21          2HG2      VAL  21  -4.791  -0.815   2.350
  142   3HG2  VAL  21          3HG2      VAL  21  -4.087  -1.678   0.940
  143    H    CYS  22           H        CYS  22  -2.997   2.549  -1.821
  144    HA   CYS  22           HA       CYS  22  -0.252   3.290  -1.627
  145   1HB   CYS  22          2HB       CYS  22  -1.364   3.431  -3.731
  146   2HB   CYS  22          1HB       CYS  22  -2.755   4.268  -3.033
  147    H    MET  23           H        MET  23   0.707   4.971  -0.518
  148    HA   MET  23           HA       MET  23  -1.106   7.052   0.443
  149   1HB   MET  23          2HB       MET  23   1.304   6.124   2.068
  150   2HB   MET  23          1HB       MET  23   0.173   7.467   2.453
  151   1HG   MET  23          2HG       MET  23  -1.679   5.648   2.519
  152   2HG   MET  23          1HG       MET  23  -0.352   4.463   2.527
  153   1HE   MET  23          1HE       MET  23   1.644   5.791   5.813
  154   2HE   MET  23          2HE       MET  23   1.705   6.831   4.357
  155   3HE   MET  23          3HE       MET  23   1.843   5.043   4.195
  156    H    TYR  24           H        TYR  24  -0.590   8.792  -0.803
  157    HA   TYR  24           HA       TYR  24   2.243   9.513  -0.744
  158   1HB   TYR  24          2HB       TYR  24   1.811   9.046  -3.131
  159   2HB   TYR  24          1HB       TYR  24   0.290  10.038  -3.063
  160    HD1  TYR  24           1HD      TYR  24   3.859  10.502  -1.964
  161    HD2  TYR  24           2HD      TYR  24   0.502  11.984  -4.121
  162    HE1  TYR  24           1HE      TYR  24   5.066  12.542  -2.411
  163    HE2  TYR  24           2HE      TYR  24   1.695  14.029  -4.594
  164    HH   TYR  24           HH       TYR  24   5.030  14.575  -3.381
  165    H    ILE  25           H        ILE  25   2.498  11.202   0.588
  166    HA   ILE  25           HA       ILE  25   0.302  13.112   0.774
  167    HB   ILE  25           HB       ILE  25   1.111  13.408   3.141
  168   1HG1  ILE  25          2HG1      ILE  25   3.049  11.643   2.812
  169   2HG1  ILE  25          1HG1      ILE  25   2.116  11.736   4.329
  170   1HG2  ILE  25          1HG2      ILE  25  -0.660  11.068   2.242
  171   2HG2  ILE  25          2HG2      ILE  25  -1.137  12.783   2.515
  172   3HG2  ILE  25          3HG2      ILE  25  -0.598  11.761   3.902
  173   1HD1  ILE  25          1HD1      ILE  25   2.509   9.382   3.627
  174   2HD1  ILE  25          2HD1      ILE  25   1.546   9.661   2.128
  175   3HD1  ILE  25          3HD1      ILE  25   0.762   9.774   3.740
  176    H    GLU  26           H        GLU  26   0.865  15.053   0.224
  177    HA   GLU  26           HA       GLU  26   3.264  15.496  -0.952
  178   1HB   GLU  26          2HB       GLU  26   1.158  17.516  -0.063
  179   2HB   GLU  26          1HB       GLU  26   2.380  17.769  -1.356
  180   1HG   GLU  26          2HG       GLU  26   1.358  15.851  -2.653
  181   2HG   GLU  26          1HG       GLU  26   0.045  15.733  -1.423
  182    H    ALA  27           H        ALA  27   2.382  16.477   2.346
  183    HA   ALA  27           HA       ALA  27   4.006  18.720   2.456
  184   1HB   ALA  27          1HB       ALA  27   2.104  18.258   4.020
  185   2HB   ALA  27          2HB       ALA  27   3.636  18.581   4.903
  186   3HB   ALA  27          3HB       ALA  27   3.039  16.894   4.743
  187    H    LEU  28           H        LEU  28   4.598  15.450   3.733
  188    HA   LEU  28           HA       LEU  28   7.392  16.059   4.153
  189   1HB   LEU  28          2HB       LEU  28   5.931  13.366   4.338
  190   2HB   LEU  28          1HB       LEU  28   7.547  13.768   4.997
  191    HG   LEU  28           HG       LEU  28   4.818  14.787   5.955
  192   1HD1  LEU  28          1HD1      LEU  28   5.443  12.476   6.663
  193   2HD1  LEU  28          2HD1      LEU  28   5.460  13.619   8.060
  194   3HD1  LEU  28          3HD1      LEU  28   7.009  13.097   7.313
  195   1HD2  LEU  28          1HD2      LEU  28   6.258  16.711   6.187
  196   2HD2  LEU  28          2HD2      LEU  28   7.634  15.697   6.798
  197   3HD2  LEU  28          3HD2      LEU  28   6.159  15.918   7.807
  198    H    ASP  29           H        ASP  29   5.371  14.850   1.686
  199    HA   ASP  29           HA       ASP  29   5.629  14.204  -0.322
  200   1HB   ASP  29          2HB       ASP  29   7.093  16.321  -0.165
  201   2HB   ASP  29          1HB       ASP  29   8.505  15.226  -0.300
  202    H    LYS  30           H        LYS  30   5.671  12.117   1.183
  203    HA   LYS  30           HA       LYS  30   7.748  10.374   0.042
  204   1HB   LYS  30          2HB       LYS  30   6.228  10.092   2.703
  205   2HB   LYS  30          1HB       LYS  30   7.524   9.010   2.109
  206   1HG   LYS  30          2HG       LYS  30   7.836  11.964   2.935
  207   2HG   LYS  30          1HG       LYS  30   8.326  10.521   3.869
  208   1HD   LYS  30          2HD       LYS  30   9.858   9.844   2.018
  209   2HD   LYS  30          1HD       LYS  30   9.424  11.317   1.111
  210   1HE   LYS  30          2HE       LYS  30  10.536  11.552   3.986
  211   2HE   LYS  30          1HE       LYS  30  11.663  11.224   2.619
  212   1HZ   LYS  30          1HZ       LYS  30  11.073  13.203   1.565
  213   2HZ   LYS  30          2HZ       LYS  30  11.386  13.595   3.140
  214   3HZ   LYS  30          3HZ       LYS  30   9.781  13.538   2.612
  215    H    TYR  31           H        TYR  31   7.262   8.575  -0.880
  216    HA   TYR  31           HA       TYR  31   4.439   7.909  -1.291
  217   1HB   TYR  31          2HB       TYR  31   7.062   7.287  -2.738
  218   2HB   TYR  31          1HB       TYR  31   5.670   6.189  -2.952
  219    HD1  TYR  31           1HD      TYR  31   6.718   9.733  -3.333
  220    HD2  TYR  31           2HD      TYR  31   3.878   6.721  -4.255
  221    HE1  TYR  31           1HE      TYR  31   5.792  11.157  -5.103
  222    HE2  TYR  31           2HE      TYR  31   2.926   8.142  -6.012
  223    HH   TYR  31           HH       TYR  31   3.153  10.010  -7.192
  224    H    ALA  32           H        ALA  32   3.588   5.884  -0.863
  225    HA   ALA  32           HA       ALA  32   5.359   3.765  -0.235
  226   1HB   ALA  32          1HB       ALA  32   3.326   4.696   1.908
  227   2HB   ALA  32          2HB       ALA  32   5.111   4.791   2.069
  228   3HB   ALA  32          3HB       ALA  32   4.311   3.186   1.999
  229    H    CYS  33           H        CYS  33   4.340   1.729  -0.244
  230    HA   CYS  33           HA       CYS  33   1.430   1.740  -0.571
  231   1HB   CYS  33          2HB       CYS  33   2.684   1.063  -2.723
  232   2HB   CYS  33          1HB       CYS  33   3.285  -0.356  -1.827
  233    H    ASN  34           H        ASN  34   0.368   0.426   0.829
  234    HA   ASN  34           HA       ASN  34   1.971  -1.448   2.442
  235   1HB   ASN  34          2HB       ASN  34  -0.843  -0.346   3.031
  236   2HB   ASN  34          1HB       ASN  34   0.129  -1.441   4.080
  237   1HD2  ASN  34          1HD2      ASN  34  -0.635   1.819   3.412
  238   2HD2  ASN  34          2HD2      ASN  34   0.652   2.564   4.332
  239    H    CYS  35           H        CYS  35   1.146  -3.641   2.628
  240    HA   CYS  35           HA       CYS  35  -0.354  -4.321   0.218
  241   1HB   CYS  35          2HB       CYS  35   1.269  -6.160   2.040
  242   2HB   CYS  35          1HB       CYS  35   0.621  -6.525   0.411
  243    H    VAL  36           H        VAL  36  -1.530  -6.485   0.471
  244    HA   VAL  36           HA       VAL  36  -3.512  -6.327   2.496
  245    HB   VAL  36           HB       VAL  36  -2.880  -8.472   0.455
  246   1HG1  VAL  36          1HG1      VAL  36  -5.373  -8.880   0.557
  247   2HG1  VAL  36          2HG1      VAL  36  -5.476  -7.803   1.993
  248   3HG1  VAL  36          3HG1      VAL  36  -4.522  -9.351   2.046
  249   1HG2  VAL  36          1HG2      VAL  36  -3.142  -6.330  -0.763
  250   2HG2  VAL  36          2HG2      VAL  36  -4.599  -5.918   0.225
  251   3HG2  VAL  36          3HG2      VAL  36  -4.641  -7.286  -0.934
  252    H    VAL  37           H        VAL  37  -3.975  -8.344   3.860
  253    HA   VAL  37           HA       VAL  37  -1.621  -8.995   5.314
  254    HB   VAL  37           HB       VAL  37  -4.414 -10.135   5.569
  255   1HG1  VAL  37          1HG1      VAL  37  -3.595 -10.648   7.919
  256   2HG1  VAL  37          2HG1      VAL  37  -1.949 -10.111   7.448
  257   3HG1  VAL  37          3HG1      VAL  37  -2.686 -11.572   6.682
  258   1HG2  VAL  37          1HG2      VAL  37  -4.452  -7.664   5.848
  259   2HG2  VAL  37          2HG2      VAL  37  -2.993  -7.738   6.906
  260   3HG2  VAL  37          3HG2      VAL  37  -4.553  -8.436   7.460
  261    H    GLY  38           H        GLY  38  -0.208 -10.613   4.917
  262   1HA   GLY  38          2HA       GLY  38   0.488 -12.627   4.319
  263   2HA   GLY  38          1HA       GLY  38  -1.074 -12.989   3.517
  264    H    TYR  39           H        TYR  39   0.539  -9.970   2.755
  265    HA   TYR  39           HA       TYR  39   1.575 -11.154   0.287
  266   1HB   TYR  39          2HB       TYR  39  -0.149  -8.671   0.696
  267   2HB   TYR  39          1HB       TYR  39   1.113  -8.652  -0.595
  268    HD1  TYR  39           1HD      TYR  39  -1.937 -10.406   0.561
  269    HD2  TYR  39           2HD      TYR  39   0.957  -9.944  -2.517
  270    HE1  TYR  39           1HE      TYR  39  -3.320 -11.741  -0.933
  271    HE2  TYR  39           2HE      TYR  39  -0.366 -11.368  -3.989
  272    HH   TYR  39           HH       TYR  39  -2.103 -12.757  -4.127
  273    H    ILE  40           H        ILE  40   3.494 -10.536  -0.387
  274    HA   ILE  40           HA       ILE  40   5.008  -8.638   1.240
  275    HB   ILE  40           HB       ILE  40   6.975 -10.204   1.004
  276   1HG1  ILE  40          2HG1      ILE  40   4.785 -12.280   0.426
  277   2HG1  ILE  40          1HG1      ILE  40   5.763 -11.532  -0.863
  278   1HG2  ILE  40          1HG2      ILE  40   6.322 -11.552   2.960
  279   2HG2  ILE  40          2HG2      ILE  40   4.586 -11.190   2.679
  280   3HG2  ILE  40          3HG2      ILE  40   5.714  -9.864   3.137
  281   1HD1  ILE  40          1HD1      ILE  40   6.785 -13.674  -0.274
  282   2HD1  ILE  40          2HD1      ILE  40   6.893 -13.211   1.466
  283   3HD1  ILE  40          3HD1      ILE  40   7.887 -12.349   0.229
  284    H    GLY  41           H        GLY  41   7.231  -8.348   0.099
  285   1HA   GLY  41          2HA       GLY  41   8.301  -7.757  -1.821
  286   2HA   GLY  41          1HA       GLY  41   6.771  -7.921  -2.761
  287    H    GLU  42           H        GLU  42   8.638  -5.594  -2.631
  288    HA   GLU  42           HA       GLU  42   7.404  -3.660  -0.977
  289   1HB   GLU  42          2HB       GLU  42   8.842  -2.051  -1.998
  290   2HB   GLU  42          1HB       GLU  42   9.755  -3.544  -1.663
  291   1HG   GLU  42          2HG       GLU  42   9.401  -4.185  -4.157
  292   2HG   GLU  42          1HG       GLU  42   8.756  -2.519  -4.402
  293    H    ARG  43           H        ARG  43   6.948  -4.715  -4.278
  294    HA   ARG  43           HA       ARG  43   4.834  -2.768  -4.707
  295   1HB   ARG  43          2HB       ARG  43   4.847  -3.571  -7.019
  296   2HB   ARG  43          1HB       ARG  43   6.433  -2.993  -6.490
  297   1HG   ARG  43          2HG       ARG  43   6.160  -5.904  -6.049
  298   2HG   ARG  43          1HG       ARG  43   5.815  -5.480  -7.729
  299   1HD   ARG  43          2HD       ARG  43   8.387  -4.580  -6.263
  300   2HD   ARG  43          1HD       ARG  43   8.242  -6.077  -7.278
  301    HE   ARG  43           HE       ARG  43   7.298  -4.238  -9.021
  302   1HH1  ARG  43          1HH1      ARG  43  10.444  -4.693  -7.356
  303   2HH1  ARG  43          2HH1      ARG  43  11.292  -3.873  -8.608
  304   1HH2  ARG  43          1HH2      ARG  43   8.529  -3.016 -10.580
  305   2HH2  ARG  43          2HH2      ARG  43  10.244  -2.951 -10.360
  306    H    CYS  44           H        CYS  44   4.757  -5.240  -2.848
  307    HA   CYS  44           HA       CYS  44   3.349  -6.702  -2.157
  308   1HB   CYS  44          2HB       CYS  44   1.289  -4.911  -3.498
  309   2HB   CYS  44          1HB       CYS  44   0.946  -6.093  -2.205
  310    H    GLN  45           H        GLN  45   4.483  -7.833  -4.334
  311    HA   GLN  45           HA       GLN  45   2.395  -8.565  -6.172
  312   1HB   GLN  45          2HB       GLN  45   4.836  -7.832  -6.648
  313   2HB   GLN  45          1HB       GLN  45   5.293  -9.492  -6.195
  314   1HG   GLN  45          2HG       GLN  45   3.575 -10.294  -8.021
  315   2HG   GLN  45          1HG       GLN  45   3.454  -8.552  -8.497
  316   1HE2  GLN  45          1HE2      GLN  45   5.628  -7.453  -8.918
  317   2HE2  GLN  45          2HE2      GLN  45   6.959  -8.389  -9.528
  318    H    TYR  46           H        TYR  46   4.228 -10.234  -3.595
  319    HA   TYR  46           HA       TYR  46   3.246 -12.779  -4.678
  320   1HB   TYR  46          2HB       TYR  46   5.374 -12.671  -2.542
  321   2HB   TYR  46          1HB       TYR  46   5.085 -13.890  -3.811
  322    HD1  TYR  46           1HD      TYR  46   7.101 -11.264  -2.761
  323    HD2  TYR  46           2HD      TYR  46   5.436 -12.950  -6.290
  324    HE1  TYR  46           1HE      TYR  46   8.857 -10.204  -4.086
  325    HE2  TYR  46           2HE      TYR  46   7.196 -11.907  -7.621
  326    HH   TYR  46           HH       TYR  46   9.061 -10.674  -7.593
  327    H    ARG  47           H        ARG  47   2.056 -14.196  -3.394
  328    HA   ARG  47           HA       ARG  47   1.206 -13.160  -0.807
  329   1HB   ARG  47          2HB       ARG  47  -0.469 -13.999  -2.452
  330   2HB   ARG  47          1HB       ARG  47   0.305 -15.601  -2.416
  331   1HG   ARG  47          2HG       ARG  47  -0.223 -15.784   0.027
  332   2HG   ARG  47          1HG       ARG  47  -1.002 -14.177   0.001
  333   1HD   ARG  47          2HD       ARG  47  -1.950 -16.449  -1.851
  334   2HD   ARG  47          1HD       ARG  47  -2.480 -16.378  -0.141
  335    HE   ARG  47           HE       ARG  47  -3.009 -14.213  -2.217
  336   1HH1  ARG  47          1HH1      ARG  47  -3.647 -15.319   1.133
  337   2HH1  ARG  47          2HH1      ARG  47  -5.176 -14.445   1.148
  338   1HH2  ARG  47          1HH2      ARG  47  -5.179 -13.318  -2.096
  339   2HH2  ARG  47          2HH2      ARG  47  -5.921 -13.302  -0.537
  340    H    ASP  48           H        ASP  48   1.974 -13.931   1.043
  341    HA   ASP  48           HA       ASP  48   4.143 -15.838   0.928
  342   1HB   ASP  48          2HB       ASP  48   4.327 -13.523   2.023
  343   2HB   ASP  48          1HB       ASP  48   3.223 -14.125   3.313
  344    H    LEU  49           H        LEU  49   3.422 -17.900   0.980
  345    HA   LEU  49           HA       LEU  49   0.872 -18.436   2.168
  346   1HB   LEU  49          2HB       LEU  49   2.849 -20.114   0.558
  347   2HB   LEU  49          1HB       LEU  49   1.218 -20.680   1.037
  348    HG   LEU  49           HG       LEU  49   1.663 -18.139  -0.624
  349   1HD1  LEU  49          1HD1      LEU  49   1.186 -19.477  -2.635
  350   2HD1  LEU  49          2HD1      LEU  49   1.071 -20.979  -1.642
  351   3HD1  LEU  49          3HD1      LEU  49   2.653 -20.117  -1.798
  352   1HD2  LEU  49          1HD2      LEU  49  -0.578 -18.298   0.487
  353   2HD2  LEU  49          2HD2      LEU  49  -0.798 -19.954  -0.196
  354   3HD2  LEU  49          3HD2      LEU  49  -0.719 -18.537  -1.299
  355    H    LYS  50           H        LYS  50   4.080 -18.758   3.300
  356    HA   LYS  50           HA       LYS  50   4.021 -21.278   4.330
  357   1HB   LYS  50          2HB       LYS  50   5.646 -18.887   5.317
  358   2HB   LYS  50          1HB       LYS  50   5.902 -20.586   5.807
  359   1HG   LYS  50          2HG       LYS  50   7.397 -20.665   4.142
  360   2HG   LYS  50          1HG       LYS  50   5.961 -20.985   3.138
  361   1HD   LYS  50          2HD       LYS  50   7.083 -19.355   1.927
  362   2HD   LYS  50          1HD       LYS  50   5.877 -18.363   2.804
  363   1HE   LYS  50          2HE       LYS  50   7.656 -17.697   4.479
  364   2HE   LYS  50          1HE       LYS  50   8.838 -18.777   3.630
  365   1HZ   LYS  50          1HZ       LYS  50   9.140 -16.563   2.806
  366   2HZ   LYS  50          2HZ       LYS  50   7.468 -16.391   2.530
  367   3HZ   LYS  50          3HZ       LYS  50   8.396 -17.459   1.607
  368    H    TRP  51           H        TRP  51   2.971 -18.324   5.992
  369    HA   TRP  51           HA       TRP  51   2.797 -19.701   8.481
  370   1HB   TRP  51          2HB       TRP  51   1.964 -17.582   9.362
  371   2HB   TRP  51          1HB       TRP  51   3.474 -17.393   8.405
  372    HD1  TRP  51           HD       TRP  51   3.266 -15.892   6.108
  373    HE1  TRP  51           1HE      TRP  51   1.540 -14.144   5.422
  374    HE3  TRP  51           3HE      TRP  51  -0.408 -17.132   9.391
  375    HZ2  TRP  51           2HZ      TRP  51  -1.081 -13.387   6.211
  376    HZ3  TRP  51           3HZ      TRP  51  -2.489 -15.851   9.380
  377    HH2  TRP  51           HH       TRP  51  -2.825 -14.012   7.818
  378    H    TRP  52           H        TRP  52   0.548 -19.111   5.943
  379    HA   TRP  52           HA       TRP  52  -1.820 -19.100   7.331
  380   1HB   TRP  52          2HB       TRP  52  -1.234 -20.140   4.518
  381   2HB   TRP  52          1HB       TRP  52  -2.885 -19.884   5.163
  382    HD1  TRP  52           HD       TRP  52   0.295 -17.693   4.452
  383    HE1  TRP  52           1HE      TRP  52  -0.495 -15.414   3.714
  384    HE3  TRP  52           3HE      TRP  52  -4.679 -18.412   5.125
  385    HZ2  TRP  52           2HZ      TRP  52  -3.013 -14.028   3.518
  386    HZ3  TRP  52           3HZ      TRP  52  -6.223 -16.578   4.653
  387    HH2  TRP  52           HH       TRP  52  -5.405 -14.411   3.889
  388    H    GLU  53           H        GLU  53   0.050 -21.922   6.341
  389    HA   GLU  53           HA       GLU  53  -1.896 -23.570   7.814
  390   1HB   GLU  53          2HB       GLU  53  -1.830 -23.754   5.200
  391   2HB   GLU  53          1HB       GLU  53  -0.286 -24.598   5.453
  392   1HG   GLU  53          2HG       GLU  53  -1.614 -26.183   7.070
  393   2HG   GLU  53          1HG       GLU  53  -3.107 -25.400   6.457
  394    H    LEU  54           H        LEU  54   0.282 -22.344   9.126
  395    HA   LEU  54           HA       LEU  54   1.526 -24.787  10.006
  396   1HB   LEU  54          2HB       LEU  54   2.983 -23.901   8.143
  397   2HB   LEU  54          1HB       LEU  54   3.216 -22.412   9.094
  398    HG   LEU  54           HG       LEU  54   4.258 -23.836  10.927
  399   1HD1  LEU  54          1HD1      LEU  54   5.037 -26.151  10.350
  400   2HD1  LEU  54          2HD1      LEU  54   4.072 -26.096   8.831
  401   3HD1  LEU  54          3HD1      LEU  54   3.245 -26.058  10.434
  402   1HD2  LEU  54          1HD2      LEU  54   5.635 -22.629   9.207
  403   2HD2  LEU  54          2HD2      LEU  54   5.571 -24.089   8.147
  404   3HD2  LEU  54          3HD2      LEU  54   6.416 -24.167   9.737
  Start of MODEL    8
    1   1H    VAL   1          1HT       VAL   1   5.839  17.078   8.483
    2   2H    VAL   1          2HT       VAL   1   6.530  18.159   9.558
    3   3H    VAL   1          3HT       VAL   1   5.136  18.580   8.736
    4    HA   VAL   1           HA       VAL   1   5.320  16.359  10.672
    5    HB   VAL   1           HB       VAL   1   3.949  17.694  12.198
    6   1HG1  VAL   1          1HG1      VAL   1   6.626  19.029  11.438
    7   2HG1  VAL   1          2HG1      VAL   1   6.431  17.541  12.445
    8   3HG1  VAL   1          3HG1      VAL   1   5.767  19.110  13.012
    9   1HG2  VAL   1          1HG2      VAL   1   4.536  20.066  10.304
   10   2HG2  VAL   1          2HG2      VAL   1   3.696  20.112  11.886
   11   3HG2  VAL   1          3HG2      VAL   1   2.924  19.280  10.491
   12    H    VAL   2           H        VAL   2   3.221  15.389  11.316
   13    HA   VAL   2           HA       VAL   2   1.353  15.436   9.101
   14    HB   VAL   2           HB       VAL   2   1.467  13.673  11.571
   15   1HG1  VAL   2          1HG1      VAL   2  -0.206  13.569   8.964
   16   2HG1  VAL   2          2HG1      VAL   2  -0.843  13.838  10.630
   17   3HG1  VAL   2          3HG1      VAL   2  -0.115  12.257  10.191
   18   1HG2  VAL   2          1HG2      VAL   2   2.272  11.938   9.921
   19   2HG2  VAL   2          2HG2      VAL   2   3.458  13.260  10.179
   20   3HG2  VAL   2          3HG2      VAL   2   2.453  13.232   8.682
   21    H    SER   3           H        SER   3  -0.188  17.023   9.237
   22    HA   SER   3           HA       SER   3  -1.334  17.491  11.901
   23   1HB   SER   3          2HB       SER   3  -2.193  19.595  11.183
   24   2HB   SER   3          1HB       SER   3  -0.418  19.529  10.958
   25    HG   SER   3           HG       SER   3  -1.193  20.388   9.160
   26    H    HIS   4           H        HIS   4  -2.150  16.820   8.480
   27    HA   HIS   4           HA       HIS   4  -4.450  15.355   9.533
   28   1HB   HIS   4          2HB       HIS   4  -4.402  17.078   7.009
   29   2HB   HIS   4          1HB       HIS   4  -5.629  15.806   7.297
   30    HD1  HIS   4           1HD      HIS   4  -5.035  17.517  10.442
   31    HD2  HIS   4           2HD      HIS   4  -7.464  17.997   7.071
   32    HE1  HIS   4           1HE      HIS   4  -6.877  19.122  11.095
   33    HE2  HIS   4           2HE      HIS   4  -8.369  19.318   9.059
   34    H    PHE   5           H        PHE   5  -5.130  13.578   8.160
   35    HA   PHE   5           HA       PHE   5  -2.800  12.334   6.927
   36   1HB   PHE   5          2HB       PHE   5  -4.280  11.197   8.709
   37   2HB   PHE   5          1HB       PHE   5  -5.576  11.134   7.483
   38    HD1  PHE   5           1HD      PHE   5  -2.474   9.729   8.676
   39    HD2  PHE   5           2HD      PHE   5  -5.150   9.815   5.381
   40    HE1  PHE   5           1HE      PHE   5  -1.441   7.691   7.787
   41    HE2  PHE   5           2HE      PHE   5  -4.100   7.813   4.467
   42    HZ   PHE   5           HZ       PHE   5  -2.221   6.751   5.655
   43    H    ASN   6           H        ASN   6  -2.664  11.947   4.731
   44    HA   ASN   6           HA       ASN   6  -5.042  12.556   3.098
   45   1HB   ASN   6          2HB       ASN   6  -2.132  13.228   2.428
   46   2HB   ASN   6          1HB       ASN   6  -3.540  13.499   1.356
   47   1HD2  ASN   6          1HD2      ASN   6  -4.841  14.606   4.210
   48   2HD2  ASN   6          2HD2      ASN   6  -4.227  16.241   4.129
   49    H    ASP   7           H        ASP   7  -5.347  11.157   1.325
   50    HA   ASP   7           HA       ASP   7  -3.517   8.880   1.203
   51   1HB   ASP   7          2HB       ASP   7  -6.364   9.351   0.159
   52   2HB   ASP   7          1HB       ASP   7  -5.400   7.866  -0.188
   53    H    CYS   8           H        CYS   8  -3.623   8.076  -1.362
   54    HA   CYS   8           HA       CYS   8  -2.547  10.366  -2.785
   55   1HB   CYS   8          2HB       CYS   8  -1.370   8.916  -4.150
   56   2HB   CYS   8          1HB       CYS   8  -1.246   8.221  -2.520
   57    HA   PRO   9           HA       PRO   9  -6.098  10.015  -5.495
   58   1HB   PRO   9          2HB       PRO   9  -5.198  11.041  -7.892
   59   2HB   PRO   9          1HB       PRO   9  -5.423  12.074  -6.432
   60   1HG   PRO   9          2HG       PRO   9  -2.804  10.767  -7.377
   61   2HG   PRO   9          1HG       PRO   9  -3.094  12.517  -6.986
   62   1HD   PRO   9          2HD       PRO   9  -2.066  10.730  -5.134
   63   2HD   PRO   9          1HD       PRO   9  -3.235  12.036  -4.620
   64    H    LEU  10           H        LEU  10  -6.858   8.783  -7.369
   65    HA   LEU  10           HA       LEU  10  -5.611   6.293  -7.547
   66   1HB   LEU  10          2HB       LEU  10  -7.415   5.904  -9.347
   67   2HB   LEU  10          1HB       LEU  10  -7.862   6.130  -7.641
   68    HG   LEU  10           HG       LEU  10  -8.624   8.412  -8.054
   69   1HD1  LEU  10          1HD1      LEU  10  -7.859   7.925 -11.011
   70   2HD1  LEU  10          2HD1      LEU  10  -7.212   9.221  -9.929
   71   3HD1  LEU  10          3HD1      LEU  10  -8.937   9.240 -10.429
   72   1HD2  LEU  10          1HD2      LEU  10 -10.141   6.446  -8.308
   73   2HD2  LEU  10          2HD2      LEU  10  -9.732   6.352 -10.060
   74   3HD2  LEU  10          3HD2      LEU  10 -10.607   7.792  -9.426
   75    H    SER  11           H        SER  11  -5.119   9.055  -9.383
   76    HA   SER  11           HA       SER  11  -4.441   8.293 -11.848
   77   1HB   SER  11          2HB       SER  11  -2.936  10.331 -10.114
   78   2HB   SER  11          1HB       SER  11  -3.081  10.364 -11.912
   79    HG   SER  11           HG       SER  11  -4.610  11.713 -10.697
   80    H    HIS  12           H        HIS  12  -2.336   8.266 -12.918
   81    HA   HIS  12           HA       HIS  12  -1.707   6.112 -13.346
   82   1HB   HIS  12          2HB       HIS  12   0.715   6.496 -13.847
   83   2HB   HIS  12          1HB       HIS  12  -0.367   7.825 -14.321
   84    HD1  HIS  12           1HD      HIS  12   0.117  10.143 -13.352
   85    HD2  HIS  12           2HD      HIS  12   2.347   7.120 -11.467
   86    HE1  HIS  12           1HE      HIS  12   1.590  11.261 -11.712
   87    HE2  HIS  12           2HE      HIS  12   3.052   9.461 -10.706
   88    H    ASP  13           H        ASP  13  -2.403   4.882 -11.433
   89    HA   ASP  13           HA       ASP  13  -0.223   3.796  -9.923
   90   1HB   ASP  13          2HB       ASP  13  -2.540   4.299  -8.977
   91   2HB   ASP  13          1HB       ASP  13  -3.182   2.956  -9.989
   92    H    GLY  14           H        GLY  14  -0.026   1.334  -9.889
   93   1HA   GLY  14          2HA       GLY  14  -0.836  -0.225 -11.973
   94   2HA   GLY  14          1HA       GLY  14   0.652   0.602 -12.555
   95    H    TYR  15           H        TYR  15   1.896   0.536  -9.842
   96    HA   TYR  15           HA       TYR  15   2.885  -2.171 -10.087
   97   1HB   TYR  15          2HB       TYR  15   4.335  -0.010  -9.977
   98   2HB   TYR  15          1HB       TYR  15   3.937   0.039  -8.230
   99    HD1  TYR  15           1HD      TYR  15   5.540  -1.830 -10.948
  100    HD2  TYR  15           2HD      TYR  15   4.835  -1.697  -6.767
  101    HE1  TYR  15           1HE      TYR  15   7.302  -3.504 -10.604
  102    HE2  TYR  15           2HE      TYR  15   6.569  -3.392  -6.415
  103    HH   TYR  15           HH       TYR  15   7.899  -4.948  -7.482
  104    H    CYS  16           H        CYS  16   1.075  -0.146  -7.793
  105    HA   CYS  16           HA       CYS  16   1.394  -2.139  -5.744
  106   1HB   CYS  16          2HB       CYS  16   1.347   0.465  -5.571
  107   2HB   CYS  16          1HB       CYS  16  -0.423   0.303  -5.613
  108    H    LEU  17           H        LEU  17   0.300  -4.000  -6.046
  109    HA   LEU  17           HA       LEU  17  -2.264  -3.970  -7.347
  110   1HB   LEU  17          2HB       LEU  17  -0.173  -5.998  -6.658
  111   2HB   LEU  17          1HB       LEU  17  -1.849  -6.575  -6.839
  112    HG   LEU  17           HG       LEU  17  -2.021  -5.620  -9.098
  113   1HD1  LEU  17          1HD1      LEU  17  -0.382  -3.758  -9.038
  114   2HD1  LEU  17          2HD1      LEU  17   0.045  -4.927 -10.340
  115   3HD1  LEU  17          3HD1      LEU  17   0.965  -4.931  -8.789
  116   1HD2  LEU  17          1HD2      LEU  17  -1.334  -7.984  -8.703
  117   2HD2  LEU  17          2HD2      LEU  17   0.402  -7.472  -8.651
  118   3HD2  LEU  17          3HD2      LEU  17  -0.542  -7.314 -10.182
  119    H    HIS  18           H        HIS  18  -3.969  -5.298  -6.670
  120    HA   HIS  18           HA       HIS  18  -5.704  -5.595  -5.395
  121   1HB   HIS  18          2HB       HIS  18  -4.512  -7.673  -5.127
  122   2HB   HIS  18          1HB       HIS  18  -3.574  -6.989  -3.765
  123    HD1  HIS  18           1HD      HIS  18  -7.374  -7.350  -4.373
  124    HD2  HIS  18           2HD      HIS  18  -4.431  -8.108  -1.480
  125    HE1  HIS  18           1HE      HIS  18  -8.534  -8.418  -2.419
  126    HE2  HIS  18           2HE      HIS  18  -6.734  -8.771  -0.648
  127    H    ASP  19           H        ASP  19  -5.530  -3.154  -5.052
  128    HA   ASP  19           HA       ASP  19  -6.277  -1.533  -3.880
  129   1HB   ASP  19          2HB       ASP  19  -7.970  -3.428  -3.432
  130   2HB   ASP  19          1HB       ASP  19  -7.275  -3.517  -1.776
  131    H    GLY  20           H        GLY  20  -3.738  -1.530  -3.653
  132   1HA   GLY  20          2HA       GLY  20  -2.691  -1.917  -1.074
  133   2HA   GLY  20          1HA       GLY  20  -1.930  -1.078  -2.465
  134    H    VAL  21           H        VAL  21  -1.588  -0.414   0.301
  135    HA   VAL  21           HA       VAL  21  -3.391   1.719   0.899
  136    HB   VAL  21           HB       VAL  21  -0.985   0.762   2.468
  137   1HG1  VAL  21          1HG1      VAL  21  -3.545   2.355   3.195
  138   2HG1  VAL  21          2HG1      VAL  21  -1.868   3.024   3.156
  139   3HG1  VAL  21          3HG1      VAL  21  -2.314   1.767   4.362
  140   1HG2  VAL  21          1HG2      VAL  21  -3.935  -0.152   2.500
  141   2HG2  VAL  21          2HG2      VAL  21  -2.716  -0.541   3.760
  142   3HG2  VAL  21          3HG2      VAL  21  -2.499  -1.170   2.098
  143    H    CYS  22           H        CYS  22  -2.941   3.121  -0.773
  144    HA   CYS  22           HA       CYS  22  -0.276   4.189  -1.110
  145   1HB   CYS  22          2HB       CYS  22  -1.628   3.331  -2.995
  146   2HB   CYS  22          1HB       CYS  22  -2.915   4.487  -2.614
  147    H    MET  23           H        MET  23   0.409   6.020  -0.155
  148    HA   MET  23           HA       MET  23  -1.590   8.100   0.331
  149   1HB   MET  23          2HB       MET  23  -0.639   8.646   2.477
  150   2HB   MET  23          1HB       MET  23  -1.237   6.967   2.438
  151   1HG   MET  23          2HG       MET  23   1.116   6.138   2.117
  152   2HG   MET  23          1HG       MET  23   1.712   7.818   2.222
  153   1HE   MET  23          1HE       MET  23   3.345   7.230   3.997
  154   2HE   MET  23          2HE       MET  23   2.831   5.511   3.963
  155   3HE   MET  23          3HE       MET  23   2.995   6.366   5.533
  156    H    TYR  24           H        TYR  24  -1.063  10.166   0.083
  157    HA   TYR  24           HA       TYR  24   1.719  10.886  -0.329
  158   1HB   TYR  24          2HB       TYR  24   0.915  10.941  -2.650
  159   2HB   TYR  24          1HB       TYR  24  -0.673  11.607  -2.112
  160    HD1  TYR  24           1HD      TYR  24  -0.840  13.338  -3.433
  161    HD2  TYR  24           2HD      TYR  24   2.702  12.970  -1.095
  162    HE1  TYR  24           1HE      TYR  24  -0.246  15.605  -3.993
  163    HE2  TYR  24           2HE      TYR  24   3.343  15.227  -1.710
  164    HH   TYR  24           HH       TYR  24   1.156  17.435  -3.053
  165    H    ILE  25           H        ILE  25   2.036  12.028   1.599
  166    HA   ILE  25           HA       ILE  25  -0.128  13.793   2.447
  167    HB   ILE  25           HB       ILE  25   0.286  12.300   4.102
  168   1HG1  ILE  25          2HG1      ILE  25   2.179  14.581   4.774
  169   2HG1  ILE  25          1HG1      ILE  25   0.410  14.845   4.547
  170   1HG2  ILE  25          1HG2      ILE  25   2.275  11.115   3.335
  171   2HG2  ILE  25          2HG2      ILE  25   2.609  11.771   4.961
  172   3HG2  ILE  25          3HG2      ILE  25   3.298  12.589   3.516
  173   1HD1  ILE  25          1HD1      ILE  25  -0.126  13.188   6.319
  174   2HD1  ILE  25          2HD1      ILE  25   0.893  14.524   6.970
  175   3HD1  ILE  25          3HD1      ILE  25   1.628  12.906   6.622
  176    H    GLU  26           H        GLU  26   0.054  15.711   1.577
  177    HA   GLU  26           HA       GLU  26   2.330  16.508   0.225
  178   1HB   GLU  26          2HB       GLU  26   0.025  17.027  -0.374
  179   2HB   GLU  26          1HB       GLU  26  -0.128  18.141   1.016
  180   1HG   GLU  26          2HG       GLU  26   1.428  19.724   0.039
  181   2HG   GLU  26          1HG       GLU  26   2.116  18.489  -1.062
  182    H    ALA  27           H        ALA  27   1.368  17.197   3.533
  183    HA   ALA  27           HA       ALA  27   3.142  19.223   4.107
  184   1HB   ALA  27          1HB       ALA  27   2.942  18.345   6.455
  185   2HB   ALA  27          2HB       ALA  27   2.251  16.811   5.823
  186   3HB   ALA  27          3HB       ALA  27   1.350  18.357   5.626
  187    H    LEU  28           H        LEU  28   3.748  15.721   4.005
  188    HA   LEU  28           HA       LEU  28   6.487  16.169   4.851
  189   1HB   LEU  28          2HB       LEU  28   5.134  13.547   4.081
  190   2HB   LEU  28          1HB       LEU  28   6.720  13.746   4.880
  191    HG   LEU  28           HG       LEU  28   3.956  14.382   6.051
  192   1HD1  LEU  28          1HD1      LEU  28   6.115  12.349   6.888
  193   2HD1  LEU  28          2HD1      LEU  28   4.619  11.950   5.957
  194   3HD1  LEU  28          3HD1      LEU  28   4.496  12.570   7.641
  195   1HD2  LEU  28          1HD2      LEU  28   5.189  14.861   8.195
  196   2HD2  LEU  28          2HD2      LEU  28   5.461  16.102   6.910
  197   3HD2  LEU  28          3HD2      LEU  28   6.742  14.865   7.276
  198    H    ASP  29           H        ASP  29   4.671  15.572   1.972
  199    HA   ASP  29           HA       ASP  29   5.065  15.926  -0.086
  200   1HB   ASP  29          2HB       ASP  29   6.454  17.777   0.781
  201   2HB   ASP  29          1HB       ASP  29   7.901  16.728   0.685
  202    H    LYS  30           H        LYS  30   6.056  13.365   1.435
  203    HA   LYS  30           HA       LYS  30   7.064  12.057  -0.995
  204   1HB   LYS  30          2HB       LYS  30   7.527  11.231   1.927
  205   2HB   LYS  30          1HB       LYS  30   8.180  10.404   0.485
  206   1HG   LYS  30          2HG       LYS  30   8.983  13.138   1.597
  207   2HG   LYS  30          1HG       LYS  30   9.934  11.625   1.503
  208   1HD   LYS  30          2HD       LYS  30   9.614  11.787  -1.084
  209   2HD   LYS  30          1HD       LYS  30   9.076  13.474  -0.784
  210   1HE   LYS  30          2HE       LYS  30  11.835  12.250  -0.107
  211   2HE   LYS  30          1HE       LYS  30  11.466  13.400  -1.451
  212   1HZ   LYS  30          1HZ       LYS  30  12.431  14.503   0.421
  213   2HZ   LYS  30          2HZ       LYS  30  11.270  13.925   1.475
  214   3HZ   LYS  30          3HZ       LYS  30  10.851  15.060   0.277
  215    H    TYR  31           H        TYR  31   6.659   9.695  -1.057
  216    HA   TYR  31           HA       TYR  31   3.801   9.323  -0.503
  217   1HB   TYR  31          2HB       TYR  31   5.264   7.950  -2.789
  218   2HB   TYR  31          1HB       TYR  31   3.521   8.335  -2.632
  219    HD1  TYR  31           1HD      TYR  31   5.890   8.808  -4.717
  220    HD2  TYR  31           2HD      TYR  31   3.661  11.254  -2.082
  221    HE1  TYR  31           1HE      TYR  31   6.342  10.756  -6.159
  222    HE2  TYR  31           2HE      TYR  31   4.114  13.213  -3.499
  223    HH   TYR  31           HH       TYR  31   5.503  13.995  -5.065
  224    H    ALA  32           H        ALA  32   3.104   7.028  -0.413
  225    HA   ALA  32           HA       ALA  32   5.088   5.117  -0.877
  226   1HB   ALA  32          1HB       ALA  32   4.915   3.847   1.316
  227   2HB   ALA  32          2HB       ALA  32   3.877   5.173   1.971
  228   3HB   ALA  32          3HB       ALA  32   5.602   5.483   1.583
  229    H    CYS  33           H        CYS  33   4.189   3.001  -1.249
  230    HA   CYS  33           HA       CYS  33   1.337   2.771  -0.656
  231   1HB   CYS  33          2HB       CYS  33   1.731   3.027  -3.158
  232   2HB   CYS  33          1HB       CYS  33   2.616   1.482  -3.110
  233    H    ASN  34           H        ASN  34   1.060   1.256   0.884
  234    HA   ASN  34           HA       ASN  34   3.162  -0.762   1.115
  235   1HB   ASN  34          2HB       ASN  34   2.293   0.924   3.010
  236   2HB   ASN  34          1HB       ASN  34   1.049  -0.333   3.265
  237   1HD2  ASN  34          1HD2      ASN  34   1.742  -1.674   4.989
  238   2HD2  ASN  34          2HD2      ASN  34   3.400  -2.058   5.321
  239    H    CYS  35           H        CYS  35   2.709  -2.952   1.407
  240    HA   CYS  35           HA       CYS  35   0.116  -3.800   0.356
  241   1HB   CYS  35          2HB       CYS  35   2.428  -4.461  -0.711
  242   2HB   CYS  35          1HB       CYS  35   2.595  -5.554   0.690
  243    H    VAL  36           H        VAL  36  -0.550  -6.013   1.336
  244    HA   VAL  36           HA       VAL  36  -0.768  -5.539   4.167
  245    HB   VAL  36           HB       VAL  36  -2.082  -7.592   2.385
  246   1HG1  VAL  36          1HG1      VAL  36  -3.890  -7.509   4.156
  247   2HG1  VAL  36          2HG1      VAL  36  -2.785  -6.572   5.217
  248   3HG1  VAL  36          3HG1      VAL  36  -2.380  -8.272   4.713
  249   1HG2  VAL  36          1HG2      VAL  36  -2.959  -4.748   3.233
  250   2HG2  VAL  36          2HG2      VAL  36  -4.019  -5.968   2.442
  251   3HG2  VAL  36          3HG2      VAL  36  -2.624  -5.310   1.546
  252    H    VAL  37           H        VAL  37  -0.651  -7.422   5.663
  253    HA   VAL  37           HA       VAL  37   1.902  -8.629   5.414
  254    HB   VAL  37           HB       VAL  37   1.193  -7.748   7.497
  255   1HG1  VAL  37          1HG1      VAL  37  -1.295  -8.133   7.313
  256   2HG1  VAL  37          2HG1      VAL  37  -0.606  -8.775   8.839
  257   3HG1  VAL  37          3HG1      VAL  37  -1.022  -9.906   7.511
  258   1HG2  VAL  37          1HG2      VAL  37   1.390 -10.823   7.685
  259   2HG2  VAL  37          2HG2      VAL  37   1.807  -9.611   8.944
  260   3HG2  VAL  37          3HG2      VAL  37   2.787  -9.710   7.437
  261    H    GLY  38           H        GLY  38   2.484 -10.630   4.899
  262   1HA   GLY  38          2HA       GLY  38   2.290 -12.818   4.498
  263   2HA   GLY  38          1HA       GLY  38   0.506 -12.717   4.675
  264    H    TYR  39           H        TYR  39   2.009 -10.432   2.570
  265    HA   TYR  39           HA       TYR  39   1.344 -12.031   0.206
  266   1HB   TYR  39          2HB       TYR  39   0.842  -9.037   0.728
  267   2HB   TYR  39          1HB       TYR  39   0.703  -9.824  -0.876
  268    HD1  TYR  39           1HD      TYR  39  -0.808  -9.577   2.473
  269    HD2  TYR  39           2HD      TYR  39  -1.059 -11.336  -1.381
  270    HE1  TYR  39           1HE      TYR  39  -3.123 -10.188   2.918
  271    HE2  TYR  39           2HE      TYR  39  -3.375 -11.971  -0.944
  272    HH   TYR  39           HH       TYR  39  -5.054 -12.010   0.562
  273    H    ILE  40           H        ILE  40   2.919 -12.125  -1.263
  274    HA   ILE  40           HA       ILE  40   5.312 -10.509  -0.880
  275    HB   ILE  40           HB       ILE  40   6.742 -12.504  -1.111
  276   1HG1  ILE  40          2HG1      ILE  40   4.096 -14.016  -0.660
  277   2HG1  ILE  40          1HG1      ILE  40   5.111 -14.055  -2.149
  278   1HG2  ILE  40          1HG2      ILE  40   6.215 -11.346   1.058
  279   2HG2  ILE  40          2HG2      ILE  40   6.613 -13.087   1.235
  280   3HG2  ILE  40          3HG2      ILE  40   4.901 -12.545   1.346
  281   1HD1  ILE  40          1HD1      ILE  40   5.875 -15.141   0.635
  282   2HD1  ILE  40          2HD1      ILE  40   7.022 -15.014  -0.739
  283   3HD1  ILE  40          3HD1      ILE  40   5.564 -16.078  -0.853
  284    H    GLY  41           H        GLY  41   6.943 -11.416  -2.789
  285   1HA   GLY  41          2HA       GLY  41   7.111 -11.956  -4.994
  286   2HA   GLY  41          1HA       GLY  41   5.365 -11.618  -5.253
  287    H    GLU  42           H        GLU  42   7.116 -10.575  -7.048
  288    HA   GLU  42           HA       GLU  42   8.547  -8.378  -6.387
  289   1HB   GLU  42          2HB       GLU  42   8.781  -9.713  -8.426
  290   2HB   GLU  42          1HB       GLU  42   7.196  -9.142  -9.026
  291   1HG   GLU  42          2HG       GLU  42   8.067  -6.814  -9.218
  292   2HG   GLU  42          1HG       GLU  42   9.626  -7.314  -8.464
  293    H    ARG  43           H        ARG  43   5.285  -8.300  -7.838
  294    HA   ARG  43           HA       ARG  43   4.969  -5.595  -6.706
  295   1HB   ARG  43          2HB       ARG  43   3.236  -5.275  -8.467
  296   2HB   ARG  43          1HB       ARG  43   4.897  -5.463  -9.080
  297   1HG   ARG  43          2HG       ARG  43   4.474  -7.822  -9.720
  298   2HG   ARG  43          1HG       ARG  43   2.800  -7.715  -9.062
  299   1HD   ARG  43          2HD       ARG  43   2.253  -5.938 -10.735
  300   2HD   ARG  43          1HD       ARG  43   3.973  -5.941 -11.315
  301    HE   ARG  43           HE       ARG  43   2.978  -8.638 -11.479
  302   1HH1  ARG  43          1HH1      ARG  43   2.497  -5.431 -13.011
  303   2HH1  ARG  43          2HH1      ARG  43   1.826  -6.101 -14.452
  304   1HH2  ARG  43          1HH2      ARG  43   2.363  -9.482 -13.585
  305   2HH2  ARG  43          2HH2      ARG  43   1.999  -8.360 -14.866
  306    H    CYS  44           H        CYS  44   4.768  -7.865  -5.115
  307    HA   CYS  44           HA       CYS  44   3.539  -8.815  -3.653
  308   1HB   CYS  44          2HB       CYS  44   3.396  -6.260  -3.253
  309   2HB   CYS  44          1HB       CYS  44   1.677  -6.426  -3.684
  310    H    GLN  45           H        GLN  45   2.788  -9.939  -6.049
  311    HA   GLN  45           HA       GLN  45  -0.102 -10.307  -5.720
  312   1HB   GLN  45          2HB       GLN  45  -0.085 -11.313  -7.933
  313   2HB   GLN  45          1HB       GLN  45   0.402  -9.589  -7.871
  314   1HG   GLN  45          2HG       GLN  45   2.841 -10.332  -8.095
  315   2HG   GLN  45          1HG       GLN  45   2.248 -12.013  -8.334
  316   1HE2  GLN  45          1HE2      GLN  45  -0.202 -11.060  -9.851
  317   2HE2  GLN  45          2HE2      GLN  45   0.378 -10.460 -11.383
  318    H    TYR  46           H        TYR  46   2.481 -11.906  -4.401
  319    HA   TYR  46           HA       TYR  46   1.156 -14.507  -4.827
  320   1HB   TYR  46          2HB       TYR  46   3.972 -13.847  -3.856
  321   2HB   TYR  46          1HB       TYR  46   3.292 -15.507  -4.035
  322    HD1  TYR  46           1HD      TYR  46   2.052 -14.227  -6.991
  323    HD2  TYR  46           2HD      TYR  46   5.751 -14.928  -4.990
  324    HE1  TYR  46           1HE      TYR  46   3.163 -14.464  -9.119
  325    HE2  TYR  46           2HE      TYR  46   6.868 -15.149  -7.126
  326    HH   TYR  46           HH       TYR  46   6.628 -15.193  -9.368
  327    H    ARG  47           H        ARG  47   1.141 -15.914  -2.846
  328    HA   ARG  47           HA       ARG  47   0.725 -14.246  -0.462
  329   1HB   ARG  47          2HB       ARG  47  -1.081 -15.844   0.161
  330   2HB   ARG  47          1HB       ARG  47  -1.405 -14.797  -1.244
  331   1HG   ARG  47          2HG       ARG  47  -0.831 -16.679  -2.803
  332   2HG   ARG  47          1HG       ARG  47  -0.609 -17.760  -1.393
  333   1HD   ARG  47          2HD       ARG  47  -3.032 -17.440  -0.779
  334   2HD   ARG  47          1HD       ARG  47  -3.201 -16.244  -2.132
  335    HE   ARG  47           HE       ARG  47  -2.261 -19.083  -2.664
  336   1HH1  ARG  47          1HH1      ARG  47  -5.043 -16.872  -2.900
  337   2HH1  ARG  47          2HH1      ARG  47  -5.691 -17.687  -4.275
  338   1HH2  ARG  47          1HH2      ARG  47  -2.976 -19.893  -4.712
  339   2HH2  ARG  47          2HH2      ARG  47  -4.538 -19.400  -5.275
  340    H    ASP  48           H        ASP  48   1.450 -14.916   1.465
  341    HA   ASP  48           HA       ASP  48   3.488 -16.969   1.342
  342   1HB   ASP  48          2HB       ASP  48   3.916 -14.565   2.039
  343   2HB   ASP  48          1HB       ASP  48   2.863 -14.841   3.469
  344    H    LEU  49           H        LEU  49   2.825 -19.005   1.898
  345    HA   LEU  49           HA       LEU  49   0.595 -19.290   3.714
  346   1HB   LEU  49          2HB       LEU  49   2.016 -21.019   1.716
  347   2HB   LEU  49          1HB       LEU  49   1.184 -21.835   3.062
  348    HG   LEU  49           HG       LEU  49  -0.159 -21.694   1.035
  349   1HD1  LEU  49          1HD1      LEU  49  -1.186 -21.970   3.292
  350   2HD1  LEU  49          2HD1      LEU  49  -2.273 -21.142   2.131
  351   3HD1  LEU  49          3HD1      LEU  49  -1.416 -20.188   3.410
  352   1HD2  LEU  49          1HD2      LEU  49  -1.275 -19.646   0.292
  353   2HD2  LEU  49          2HD2      LEU  49   0.507 -19.434   0.186
  354   3HD2  LEU  49          3HD2      LEU  49  -0.412 -18.661   1.532
  355    H    LYS  50           H        LYS  50   3.926 -19.009   4.210
  356    HA   LYS  50           HA       LYS  50   4.156 -21.034   6.184
  357   1HB   LYS  50          2HB       LYS  50   5.866 -18.659   5.378
  358   2HB   LYS  50          1HB       LYS  50   6.199 -19.560   6.891
  359   1HG   LYS  50          2HG       LYS  50   7.614 -20.515   5.367
  360   2HG   LYS  50          1HG       LYS  50   6.287 -21.705   5.554
  361   1HD   LYS  50          2HD       LYS  50   5.332 -21.002   3.351
  362   2HD   LYS  50          1HD       LYS  50   6.461 -19.612   3.307
  363   1HE   LYS  50          2HE       LYS  50   7.403 -21.208   1.798
  364   2HE   LYS  50          1HE       LYS  50   8.416 -21.245   3.302
  365   1HZ   LYS  50          1HZ       LYS  50   7.128 -23.250   3.980
  366   2HZ   LYS  50          2HZ       LYS  50   7.963 -23.432   2.527
  367   3HZ   LYS  50          3HZ       LYS  50   6.278 -23.168   2.527
  368    H    TRP  51           H        TRP  51   2.833 -17.834   6.186
  369    HA   TRP  51           HA       TRP  51   2.887 -17.494   9.013
  370   1HB   TRP  51          2HB       TRP  51   2.891 -15.531   7.758
  371   2HB   TRP  51          1HB       TRP  51   1.750 -16.182   6.535
  372    HD1  TRP  51           HD       TRP  51   1.374 -15.346  10.340
  373    HE1  TRP  51           1HE      TRP  51  -0.873 -13.996  10.577
  374    HE3  TRP  51           3HE      TRP  51   0.094 -15.033   5.460
  375    HZ2  TRP  51           2HZ      TRP  51  -3.019 -13.316   8.916
  376    HZ3  TRP  51           3HZ      TRP  51  -1.998 -13.910   4.840
  377    HH2  TRP  51           HH       TRP  51  -3.550 -13.121   6.532
  378    H    TRP  52           H        TRP  52   0.717 -19.060   6.726
  379    HA   TRP  52           HA       TRP  52  -1.461 -19.176   8.574
  380   1HB   TRP  52          2HB       TRP  52  -0.904 -20.599   5.921
  381   2HB   TRP  52          1HB       TRP  52  -2.411 -20.828   6.868
  382    HD1  TRP  52           HD       TRP  52  -0.525 -17.818   5.168
  383    HE1  TRP  52           1HE      TRP  52  -2.282 -16.029   4.667
  384    HE3  TRP  52           3HE      TRP  52  -4.630 -20.171   7.023
  385    HZ2  TRP  52           2HZ      TRP  52  -5.085 -15.745   4.824
  386    HZ3  TRP  52           3HZ      TRP  52  -6.797 -19.058   6.864
  387    HH2  TRP  52           HH       TRP  52  -7.027 -16.890   5.786
  388    H    GLU  53           H        GLU  53   0.835 -21.581   7.296
  389    HA   GLU  53           HA       GLU  53   0.102 -23.377   9.493
  390   1HB   GLU  53          2HB       GLU  53   1.649 -24.006   6.938
  391   2HB   GLU  53          1HB       GLU  53   1.091 -25.156   8.195
  392   1HG   GLU  53          2HG       GLU  53  -1.313 -24.406   7.689
  393   2HG   GLU  53          1HG       GLU  53  -0.659 -23.463   6.306
  394    H    LEU  54           H        LEU  54   1.338 -21.617  10.758
  395    HA   LEU  54           HA       LEU  54   4.209 -22.095  10.749
  396   1HB   LEU  54          2HB       LEU  54   2.998 -19.796  10.772
  397   2HB   LEU  54          1HB       LEU  54   2.661 -20.123  12.490
  398    HG   LEU  54           HG       LEU  54   5.460 -20.126  11.204
  399   1HD1  LEU  54          1HD1      LEU  54   5.724 -17.817  12.090
  400   2HD1  LEU  54          2HD1      LEU  54   4.011 -17.837  12.677
  401   3HD1  LEU  54          3HD1      LEU  54   4.369 -17.916  10.915
  402   1HD2  LEU  54          1HD2      LEU  54   5.446 -21.324  13.387
  403   2HD2  LEU  54          2HD2      LEU  54   4.602 -19.937  14.169
  404   3HD2  LEU  54          3HD2      LEU  54   6.292 -19.746  13.549
  Start of MODEL    9
    1   1H    VAL   1          1HT       VAL   1   8.074  14.184   7.385
    2   2H    VAL   1          2HT       VAL   1   9.569  13.671   7.916
    3   3H    VAL   1          3HT       VAL   1   8.770  14.887   8.741
    4    HA   VAL   1           HA       VAL   1   8.702  12.090   9.033
    5    HB   VAL   1           HB       VAL   1   7.562  12.452  11.113
    6   1HG1  VAL   1          1HG1      VAL   1   9.210  13.884  12.195
    7   2HG1  VAL   1          2HG1      VAL   1   9.702  14.623  10.641
    8   3HG1  VAL   1          3HG1      VAL   1  10.022  12.874  10.949
    9   1HG2  VAL   1          1HG2      VAL   1   6.876  14.740  11.825
   10   2HG2  VAL   1          2HG2      VAL   1   5.866  14.150  10.471
   11   3HG2  VAL   1          3HG2      VAL   1   7.151  15.375  10.175
   12    H    VAL   2           H        VAL   2   6.892  10.622   9.457
   13    HA   VAL   2           HA       VAL   2   4.905  11.004   7.434
   14    HB   VAL   2           HB       VAL   2   5.570   8.654   9.207
   15   1HG1  VAL   2          1HG1      VAL   2   4.206   7.370   7.519
   16   2HG1  VAL   2          2HG1      VAL   2   3.662   8.921   6.779
   17   3HG1  VAL   2          3HG1      VAL   2   3.192   8.495   8.469
   18   1HG2  VAL   2          1HG2      VAL   2   7.404   9.258   7.589
   19   2HG2  VAL   2          2HG2      VAL   2   6.198   9.297   6.243
   20   3HG2  VAL   2          3HG2      VAL   2   6.561   7.757   7.090
   21    H    SER   3           H        SER   3   2.894  11.569   7.707
   22    HA   SER   3           HA       SER   3   1.500  10.910  10.167
   23   1HB   SER   3          2HB       SER   3   1.277  13.572   8.634
   24   2HB   SER   3          1HB       SER   3   0.061  12.995   9.832
   25    HG   SER   3           HG       SER   3   1.686  14.461  10.609
   26    H    HIS   4           H        HIS   4  -0.944  10.869   9.538
   27    HA   HIS   4           HA       HIS   4  -1.020   9.377   7.096
   28   1HB   HIS   4          2HB       HIS   4  -2.107   8.890   9.470
   29   2HB   HIS   4          1HB       HIS   4  -3.455   9.862   8.836
   30    HD1  HIS   4           1HD      HIS   4  -1.263   6.867   7.831
   31    HD2  HIS   4           2HD      HIS   4  -5.229   8.193   7.384
   32    HE1  HIS   4           1HE      HIS   4  -2.516   5.023   6.725
   33    HE2  HIS   4           2HE      HIS   4  -4.871   5.826   6.418
   34    H    PHE   5           H        PHE   5  -1.835   9.905   5.164
   35    HA   PHE   5           HA       PHE   5  -3.525  12.290   4.988
   36   1HB   PHE   5          2HB       PHE   5  -1.183  11.582   3.122
   37   2HB   PHE   5          1HB       PHE   5  -2.348  12.934   2.893
   38    HD1  PHE   5           1HD      PHE   5  -2.258  14.898   4.307
   39    HD2  PHE   5           2HD      PHE   5   0.488  11.699   4.809
   40    HE1  PHE   5           1HE      PHE   5  -0.822  16.343   5.663
   41    HE2  PHE   5           2HE      PHE   5   1.914  13.128   6.182
   42    HZ   PHE   5           HZ       PHE   5   1.266  15.468   6.615
   43    H    ASN   6           H        ASN   6  -4.722  12.426   3.006
   44    HA   ASN   6           HA       ASN   6  -5.603   9.752   2.109
   45   1HB   ASN   6          2HB       ASN   6  -7.020  12.438   2.568
   46   2HB   ASN   6          1HB       ASN   6  -7.815  11.073   1.717
   47   1HD2  ASN   6          1HD2      ASN   6  -8.750   9.427   2.932
   48   2HD2  ASN   6          2HD2      ASN   6  -8.782   9.455   4.674
   49    H    ASP   7           H        ASP   7  -4.570   9.511   0.072
   50    HA   ASP   7           HA       ASP   7  -6.064  10.883  -1.850
   51   1HB   ASP   7          2HB       ASP   7  -4.044  12.507  -1.313
   52   2HB   ASP   7          1HB       ASP   7  -3.047  11.335  -2.210
   53    H    CYS   8           H        CYS   8  -6.765   8.890  -2.632
   54    HA   CYS   8           HA       CYS   8  -4.766   7.538  -4.166
   55   1HB   CYS   8          2HB       CYS   8  -4.750   6.580  -1.749
   56   2HB   CYS   8          1HB       CYS   8  -6.270   5.780  -2.182
   57    HA   PRO   9           HA       PRO   9  -8.797   6.996  -6.098
   58   1HB   PRO   9          2HB       PRO   9  -8.010   6.592  -8.703
   59   2HB   PRO   9          1HB       PRO   9  -7.971   8.226  -7.931
   60   1HG   PRO   9          2HG       PRO   9  -5.649   6.243  -8.230
   61   2HG   PRO   9          1HG       PRO   9  -5.675   8.006  -8.664
   62   1HD   PRO   9          2HD       PRO   9  -4.707   7.045  -6.230
   63   2HD   PRO   9          1HD       PRO   9  -5.565   8.655  -6.350
   64    H    LEU  10           H        LEU  10  -9.980   5.180  -6.236
   65    HA   LEU  10           HA       LEU  10  -8.776   2.602  -6.378
   66   1HB   LEU  10          2HB       LEU  10 -11.673   3.565  -6.619
   67   2HB   LEU  10          1HB       LEU  10 -11.183   1.855  -6.710
   68    HG   LEU  10           HG       LEU  10 -12.054   2.243  -4.577
   69   1HD1  LEU  10          1HD1      LEU  10 -10.254   1.476  -3.099
   70   2HD1  LEU  10          2HD1      LEU  10  -8.997   2.078  -4.232
   71   3HD1  LEU  10          3HD1      LEU  10 -10.069   0.711  -4.727
   72   1HD2  LEU  10          1HD2      LEU  10 -11.277   3.807  -2.892
   73   2HD2  LEU  10          2HD2      LEU  10 -11.737   4.721  -4.373
   74   3HD2  LEU  10          3HD2      LEU  10  -9.994   4.445  -3.973
   75    H    SER  11           H        SER  11 -10.084   4.896  -8.624
   76    HA   SER  11           HA       SER  11 -10.129   3.144 -10.849
   77   1HB   SER  11          2HB       SER  11 -11.457   5.351 -10.542
   78   2HB   SER  11          1HB       SER  11  -9.956   6.189 -11.032
   79    HG   SER  11           HG       SER  11 -11.667   4.472 -12.436
   80    H    HIS  12           H        HIS  12  -8.857   4.128 -12.856
   81    HA   HIS  12           HA       HIS  12  -7.259   2.408 -13.215
   82   1HB   HIS  12          2HB       HIS  12  -7.453   4.491 -14.679
   83   2HB   HIS  12          1HB       HIS  12  -5.981   5.099 -13.914
   84    HD1  HIS  12           1HD      HIS  12  -4.299   2.265 -14.119
   85    HD2  HIS  12           2HD      HIS  12  -6.489   4.198 -17.144
   86    HE1  HIS  12           1HE      HIS  12  -3.353   1.516 -16.281
   87    HE2  HIS  12           2HE      HIS  12  -4.634   2.747 -18.094
   88    H    ASP  13           H        ASP  13  -6.248   1.286 -11.593
   89    HA   ASP  13           HA       ASP  13  -4.256   2.370 -10.001
   90   1HB   ASP  13          2HB       ASP  13  -3.975  -0.068  -9.352
   91   2HB   ASP  13          1HB       ASP  13  -5.634   0.598  -9.189
   92    H    GLY  14           H        GLY  14  -2.050   1.590  -9.833
   93   1HA   GLY  14          2HA       GLY  14  -0.752   0.863 -12.308
   94   2HA   GLY  14          1HA       GLY  14  -0.622   2.595 -11.826
   95    H    TYR  15           H        TYR  15   0.054   2.842  -9.372
   96    HA   TYR  15           HA       TYR  15   2.532   1.481  -9.197
   97   1HB   TYR  15          2HB       TYR  15   2.226   3.877  -8.554
   98   2HB   TYR  15          1HB       TYR  15   1.121   3.376  -7.250
   99    HD1  TYR  15           1HD      TYR  15   2.255   4.149  -5.428
  100    HD2  TYR  15           2HD      TYR  15   4.395   1.751  -8.215
  101    HE1  TYR  15           1HE      TYR  15   4.102   3.924  -3.833
  102    HE2  TYR  15           2HE      TYR  15   6.189   1.471  -6.608
  103    HH   TYR  15           HH       TYR  15   7.037   2.113  -4.612
  104    H    CYS  16           H        CYS  16  -0.510   1.369  -7.237
  105    HA   CYS  16           HA       CYS  16   0.802  -0.615  -5.560
  106   1HB   CYS  16          2HB       CYS  16  -1.962   0.606  -5.210
  107   2HB   CYS  16          1HB       CYS  16  -1.031  -0.362  -4.019
  108    H    LEU  17           H        LEU  17   0.124  -2.665  -5.281
  109    HA   LEU  17           HA       LEU  17  -1.768  -3.716  -7.266
  110   1HB   LEU  17          2HB       LEU  17   0.422  -5.203  -5.728
  111   2HB   LEU  17          1HB       LEU  17  -0.695  -5.882  -6.951
  112    HG   LEU  17           HG       LEU  17   1.235  -5.705  -8.115
  113   1HD1  LEU  17          1HD1      LEU  17  -0.614  -4.526  -9.357
  114   2HD1  LEU  17          2HD1      LEU  17   1.047  -4.031  -9.852
  115   3HD1  LEU  17          3HD1      LEU  17   0.064  -2.953  -8.799
  116   1HD2  LEU  17          1HD2      LEU  17   2.615  -4.512  -6.432
  117   2HD2  LEU  17          2HD2      LEU  17   1.906  -2.935  -6.955
  118   3HD2  LEU  17          3HD2      LEU  17   2.896  -3.896  -8.103
  119    H    HIS  18           H        HIS  18  -3.140  -5.346  -6.560
  120    HA   HIS  18           HA       HIS  18  -4.926  -5.875  -5.359
  121   1HB   HIS  18          2HB       HIS  18  -2.737  -6.289  -3.288
  122   2HB   HIS  18          1HB       HIS  18  -4.426  -6.782  -2.962
  123    HD1  HIS  18           1HD      HIS  18  -5.571  -8.408  -4.677
  124    HD2  HIS  18           2HD      HIS  18  -1.401  -8.526  -4.334
  125    HE1  HIS  18           1HE      HIS  18  -4.819 -10.635  -5.604
  126    HE2  HIS  18           2HE      HIS  18  -2.356 -10.755  -5.194
  127    H    ASP  19           H        ASP  19  -4.793  -3.055  -5.443
  128    HA   ASP  19           HA       ASP  19  -5.604  -1.291  -4.555
  129   1HB   ASP  19          2HB       ASP  19  -7.474  -3.180  -3.060
  130   2HB   ASP  19          1HB       ASP  19  -7.740  -1.418  -3.326
  131    H    GLY  20           H        GLY  20  -3.307  -1.543  -3.491
  132   1HA   GLY  20          2HA       GLY  20  -3.285  -1.415  -0.686
  133   2HA   GLY  20          1HA       GLY  20  -2.019  -0.837  -1.824
  134    H    VAL  21           H        VAL  21  -2.163   0.525   0.449
  135    HA   VAL  21           HA       VAL  21  -4.074   2.681   0.182
  136    HB   VAL  21           HB       VAL  21  -2.197   1.922   2.441
  137   1HG1  VAL  21          1HG1      VAL  21  -4.510   3.978   2.250
  138   2HG1  VAL  21          2HG1      VAL  21  -2.757   4.362   2.477
  139   3HG1  VAL  21          3HG1      VAL  21  -3.657   3.494   3.759
  140   1HG2  VAL  21          1HG2      VAL  21  -4.337   1.169   3.545
  141   2HG2  VAL  21          2HG2      VAL  21  -3.907   0.165   2.124
  142   3HG2  VAL  21          3HG2      VAL  21  -5.205   1.411   1.987
  143    H    CYS  22           H        CYS  22  -3.243   4.160  -1.312
  144    HA   CYS  22           HA       CYS  22  -0.441   4.901  -0.952
  145   1HB   CYS  22          2HB       CYS  22  -0.365   5.711  -3.107
  146   2HB   CYS  22          1HB       CYS  22  -1.165   4.125  -3.154
  147    H    MET  23           H        MET  23   0.278   7.025  -0.688
  148    HA   MET  23           HA       MET  23  -1.584   9.112  -0.945
  149   1HB   MET  23          2HB       MET  23  -1.417  10.125   1.299
  150   2HB   MET  23          1HB       MET  23  -2.327   8.618   1.294
  151   1HG   MET  23          2HG       MET  23   0.640   8.460   1.977
  152   2HG   MET  23          1HG       MET  23  -0.464   9.240   3.131
  153   1HE   MET  23          1HE       MET  23   0.205   7.758   4.927
  154   2HE   MET  23          2HE       MET  23   1.297   6.775   3.896
  155   3HE   MET  23          3HE       MET  23   0.102   5.967   4.949
  156    H    TYR  24           H        TYR  24  -0.547  11.237  -0.259
  157    HA   TYR  24           HA       TYR  24   2.318  11.276  -0.851
  158   1HB   TYR  24          2HB       TYR  24   1.375  12.543  -2.592
  159   2HB   TYR  24          1HB       TYR  24  -0.093  12.909  -1.633
  160    HD1  TYR  24           1HD      TYR  24  -0.453  14.910  -0.820
  161    HD2  TYR  24           2HD      TYR  24   3.553  13.799  -1.754
  162    HE1  TYR  24           1HE      TYR  24   0.259  17.173  -0.399
  163    HE2  TYR  24           2HE      TYR  24   4.287  16.079  -1.325
  164    HH   TYR  24           HH       TYR  24   2.026  18.603  -0.193
  165    H    ILE  25           H        ILE  25   3.672  12.074   0.776
  166    HA   ILE  25           HA       ILE  25   2.329  12.697   3.271
  167    HB   ILE  25           HB       ILE  25   5.194  11.902   2.665
  168   1HG1  ILE  25          2HG1      ILE  25   3.798  10.024   1.999
  169   2HG1  ILE  25          1HG1      ILE  25   4.687   9.689   3.500
  170   1HG2  ILE  25          1HG2      ILE  25   5.129  11.389   5.157
  171   2HG2  ILE  25          2HG2      ILE  25   3.491  12.129   5.235
  172   3HG2  ILE  25          3HG2      ILE  25   4.922  13.148   4.787
  173   1HD1  ILE  25          1HD1      ILE  25   2.592  10.101   4.859
  174   2HD1  ILE  25          2HD1      ILE  25   2.397   8.793   3.648
  175   3HD1  ILE  25          3HD1      ILE  25   1.689  10.415   3.325
  176    H    GLU  26           H        GLU  26   2.110  14.860   3.578
  177    HA   GLU  26           HA       GLU  26   3.309  16.654   1.940
  178   1HB   GLU  26          2HB       GLU  26   1.960  17.091   4.649
  179   2HB   GLU  26          1HB       GLU  26   2.401  18.405   3.520
  180   1HG   GLU  26          2HG       GLU  26   1.006  17.374   1.732
  181   2HG   GLU  26          1HG       GLU  26   0.429  16.118   2.885
  182    H    ALA  27           H        ALA  27   4.428  15.955   5.297
  183    HA   ALA  27           HA       ALA  27   6.340  17.988   5.204
  184   1HB   ALA  27          1HB       ALA  27   6.317  15.418   6.872
  185   2HB   ALA  27          2HB       ALA  27   5.490  16.955   7.308
  186   3HB   ALA  27          3HB       ALA  27   7.281  16.909   7.217
  187    H    LEU  28           H        LEU  28   6.472  14.715   3.886
  188    HA   LEU  28           HA       LEU  28   9.354  14.876   3.645
  189   1HB   LEU  28          2HB       LEU  28   7.345  12.726   2.935
  190   2HB   LEU  28          1HB       LEU  28   9.007  12.718   2.284
  191    HG   LEU  28           HG       LEU  28   9.530  13.233   4.941
  192   1HD1  LEU  28          1HD1      LEU  28   7.167  12.797   5.605
  193   2HD1  LEU  28          2HD1      LEU  28   8.293  11.530   6.265
  194   3HD1  LEU  28          3HD1      LEU  28   7.259  11.155   4.843
  195   1HD2  LEU  28          1HD2      LEU  28  10.352  10.880   4.989
  196   2HD2  LEU  28          2HD2      LEU  28  10.761  11.702   3.440
  197   3HD2  LEU  28          3HD2      LEU  28   9.405  10.509   3.496
  198    H    ASP  29           H        ASP  29   6.503  15.543   1.764
  199    HA   ASP  29           HA       ASP  29   6.140  16.521  -0.103
  200   1HB   ASP  29          2HB       ASP  29   8.273  17.803   0.402
  201   2HB   ASP  29          1HB       ASP  29   9.139  16.675  -0.692
  202    H    LYS  30           H        LYS  30   6.978  13.549   0.321
  203    HA   LYS  30           HA       LYS  30   6.936  12.770  -2.510
  204   1HB   LYS  30          2HB       LYS  30   8.504  11.458  -0.218
  205   2HB   LYS  30          1HB       LYS  30   8.466  10.896  -1.917
  206   1HG   LYS  30          2HG       LYS  30   9.687  13.508  -0.880
  207   2HG   LYS  30          1HG       LYS  30  10.567  12.055  -1.442
  208   1HD   LYS  30          2HD       LYS  30   9.686  12.375  -3.753
  209   2HD   LYS  30          1HD       LYS  30   8.613  13.676  -3.149
  210   1HE   LYS  30          2HE       LYS  30  10.356  14.750  -4.343
  211   2HE   LYS  30          1HE       LYS  30  10.556  15.133  -2.591
  212   1HZ   LYS  30          1HZ       LYS  30  12.568  14.555  -3.921
  213   2HZ   LYS  30          2HZ       LYS  30  12.059  12.950  -3.959
  214   3HZ   LYS  30          3HZ       LYS  30  12.418  13.701  -2.478
  215    H    TYR  31           H        TYR  31   6.418  10.387  -2.775
  216    HA   TYR  31           HA       TYR  31   3.993   9.956  -1.186
  217   1HB   TYR  31          2HB       TYR  31   3.862   8.532  -3.693
  218   2HB   TYR  31          1HB       TYR  31   2.784   9.771  -3.021
  219    HD1  TYR  31           1HD      TYR  31   4.979   8.951  -5.592
  220    HD2  TYR  31           2HD      TYR  31   3.523  12.232  -3.346
  221    HE1  TYR  31           1HE      TYR  31   5.522  10.460  -7.453
  222    HE2  TYR  31           2HE      TYR  31   4.085  13.758  -5.181
  223    HH   TYR  31           HH       TYR  31   4.960  13.963  -7.251
  224    H    ALA  32           H        ALA  32   3.236   7.727  -0.980
  225    HA   ALA  32           HA       ALA  32   5.130   5.678  -1.543
  226   1HB   ALA  32          1HB       ALA  32   5.293   4.843   0.833
  227   2HB   ALA  32          2HB       ALA  32   4.342   6.274   1.384
  228   3HB   ALA  32          3HB       ALA  32   5.983   6.493   0.687
  229    H    CYS  33           H        CYS  33   4.212   3.479  -0.811
  230    HA   CYS  33           HA       CYS  33   1.308   3.585  -0.575
  231   1HB   CYS  33          2HB       CYS  33   2.075   3.007  -2.942
  232   2HB   CYS  33          1HB       CYS  33   2.716   1.479  -2.283
  233    H    ASN  34           H        ASN  34   0.515   2.458   1.055
  234    HA   ASN  34           HA       ASN  34   2.279   0.545   2.401
  235   1HB   ASN  34          2HB       ASN  34  -0.199   2.029   3.442
  236   2HB   ASN  34          1HB       ASN  34   0.735   0.802   4.365
  237   1HD2  ASN  34          1HD2      ASN  34   3.430   1.822   3.399
  238   2HD2  ASN  34          2HD2      ASN  34   3.647   3.337   4.205
  239    H    CYS  35           H        CYS  35   1.388  -1.443   3.154
  240    HA   CYS  35           HA       CYS  35  -0.094  -2.434   0.873
  241   1HB   CYS  35          2HB       CYS  35   1.734  -3.811   2.896
  242   2HB   CYS  35          1HB       CYS  35   1.055  -4.576   1.425
  243    H    VAL  36           H        VAL  36  -1.162  -4.530   1.038
  244    HA   VAL  36           HA       VAL  36  -3.007  -4.712   3.243
  245    HB   VAL  36           HB       VAL  36  -3.843  -6.661   1.810
  246   1HG1  VAL  36          1HG1      VAL  36  -4.966  -4.433   1.960
  247   2HG1  VAL  36          2HG1      VAL  36  -5.016  -5.065   0.274
  248   3HG1  VAL  36          3HG1      VAL  36  -3.857  -3.766   0.703
  249   1HG2  VAL  36          1HG2      VAL  36  -1.645  -6.810   0.433
  250   2HG2  VAL  36          2HG2      VAL  36  -2.158  -5.282  -0.383
  251   3HG2  VAL  36          3HG2      VAL  36  -3.177  -6.747  -0.504
  252    H    VAL  37           H        VAL  37  -3.298  -6.737   4.363
  253    HA   VAL  37           HA       VAL  37  -0.806  -7.610   5.299
  254    HB   VAL  37           HB       VAL  37  -2.643  -7.105   6.719
  255   1HG1  VAL  37          1HG1      VAL  37  -4.568  -8.614   6.981
  256   2HG1  VAL  37          2HG1      VAL  37  -4.018  -9.645   5.624
  257   3HG1  VAL  37          3HG1      VAL  37  -4.553  -7.948   5.316
  258   1HG2  VAL  37          1HG2      VAL  37  -0.822  -8.640   7.491
  259   2HG2  VAL  37          2HG2      VAL  37  -1.806 -10.065   6.967
  260   3HG2  VAL  37          3HG2      VAL  37  -2.404  -8.983   8.269
  261    H    GLY  38           H        GLY  38   0.318  -9.451   5.134
  262   1HA   GLY  38          2HA       GLY  38   0.581 -11.672   4.847
  263   2HA   GLY  38          1HA       GLY  38  -0.880 -11.761   3.806
  264    H    TYR  39           H        TYR  39   1.777  -9.429   3.493
  265    HA   TYR  39           HA       TYR  39   2.639 -10.652   1.036
  266   1HB   TYR  39          2HB       TYR  39   1.186  -7.935   1.091
  267   2HB   TYR  39          1HB       TYR  39   2.201  -8.511  -0.287
  268    HD1  TYR  39           1HD      TYR  39  -1.020  -8.782   1.359
  269    HD2  TYR  39           2HD      TYR  39   1.553 -10.453  -1.583
  270    HE1  TYR  39           1HE      TYR  39  -2.937  -9.858   0.301
  271    HE2  TYR  39           2HE      TYR  39  -0.369 -11.556  -2.631
  272    HH   TYR  39           HH       TYR  39  -3.624 -10.777  -1.684
  273    H    ILE  40           H        ILE  40   4.605 -10.003   0.395
  274    HA   ILE  40           HA       ILE  40   5.991  -7.970   1.954
  275    HB   ILE  40           HB       ILE  40   7.997  -9.436   2.023
  276   1HG1  ILE  40          2HG1      ILE  40   5.979 -11.588   1.156
  277   2HG1  ILE  40          1HG1      ILE  40   7.451 -11.049   0.277
  278   1HG2  ILE  40          1HG2      ILE  40   7.251 -10.572   4.054
  279   2HG2  ILE  40          2HG2      ILE  40   5.525 -10.417   3.569
  280   3HG2  ILE  40          3HG2      ILE  40   6.491  -8.949   3.953
  281   1HD1  ILE  40          1HD1      ILE  40   7.917 -13.173   1.390
  282   2HD1  ILE  40          2HD1      ILE  40   7.387 -12.531   2.977
  283   3HD1  ILE  40          3HD1      ILE  40   8.871 -11.870   2.202
  284    H    GLY  41           H        GLY  41   8.307  -7.694   0.875
  285   1HA   GLY  41          2HA       GLY  41   9.395  -7.124  -1.007
  286   2HA   GLY  41          1HA       GLY  41   7.940  -7.472  -2.009
  287    H    GLU  42           H        GLU  42   9.363  -5.127  -2.459
  288    HA   GLU  42           HA       GLU  42   8.683  -3.018  -0.817
  289   1HB   GLU  42          2HB       GLU  42  10.542  -3.011  -2.371
  290   2HB   GLU  42          1HB       GLU  42   9.443  -2.994  -3.773
  291   1HG   GLU  42          2HG       GLU  42   8.659  -0.727  -3.241
  292   2HG   GLU  42          1HG       GLU  42   9.397  -0.800  -1.608
  293    H    ARG  43           H        ARG  43   7.088  -3.988  -3.859
  294    HA   ARG  43           HA       ARG  43   4.849  -2.227  -3.129
  295   1HB   ARG  43          2HB       ARG  43   4.069  -2.581  -5.463
  296   2HB   ARG  43          1HB       ARG  43   5.592  -1.696  -5.291
  297   1HG   ARG  43          2HG       ARG  43   5.969  -4.650  -5.641
  298   2HG   ARG  43          1HG       ARG  43   5.136  -3.868  -6.995
  299   1HD   ARG  43          2HD       ARG  43   7.822  -2.810  -5.875
  300   2HD   ARG  43          1HD       ARG  43   7.675  -3.948  -7.278
  301    HE   ARG  43           HE       ARG  43   5.847  -1.850  -7.821
  302   1HH1  ARG  43          1HH1      ARG  43   9.446  -1.898  -7.371
  303   2HH1  ARG  43          2HH1      ARG  43   9.611  -0.565  -8.461
  304   1HH2  ARG  43          1HH2      ARG  43   6.168  -0.293  -9.167
  305   2HH2  ARG  43          2HH2      ARG  43   7.762   0.290  -9.627
  306    H    CYS  44           H        CYS  44   5.596  -4.932  -1.981
  307    HA   CYS  44           HA       CYS  44   4.590  -6.696  -1.236
  308   1HB   CYS  44          2HB       CYS  44   2.289  -4.740  -1.285
  309   2HB   CYS  44          1HB       CYS  44   2.299  -6.248  -0.319
  310    H    GLN  45           H        GLN  45   4.890  -7.463  -3.723
  311    HA   GLN  45           HA       GLN  45   2.317  -8.616  -4.533
  312   1HB   GLN  45          2HB       GLN  45   4.819  -7.821  -5.900
  313   2HB   GLN  45          1HB       GLN  45   4.188  -9.406  -6.439
  314   1HG   GLN  45          2HG       GLN  45   1.964  -8.429  -6.933
  315   2HG   GLN  45          1HG       GLN  45   2.524  -6.821  -6.338
  316   1HE2  GLN  45          1HE2      GLN  45   4.643  -6.091  -7.373
  317   2HE2  GLN  45          2HE2      GLN  45   4.693  -6.187  -9.129
  318    H    TYR  46           H        TYR  46   5.215  -9.509  -2.845
  319    HA   TYR  46           HA       TYR  46   5.063 -12.290  -3.609
  320   1HB   TYR  46          2HB       TYR  46   6.717 -10.724  -1.546
  321   2HB   TYR  46          1HB       TYR  46   6.879 -12.492  -1.825
  322    HD1  TYR  46           1HD      TYR  46   7.031  -9.245  -3.812
  323    HD2  TYR  46           2HD      TYR  46   8.653 -13.079  -2.959
  324    HE1  TYR  46           1HE      TYR  46   8.851  -8.797  -5.329
  325    HE2  TYR  46           2HE      TYR  46  10.518 -12.621  -4.464
  326    HH   TYR  46           HH       TYR  46  10.756  -9.556  -6.265
  327    H    ARG  47           H        ARG  47   4.538 -13.974  -1.977
  328    HA   ARG  47           HA       ARG  47   2.490 -12.909  -0.175
  329   1HB   ARG  47          2HB       ARG  47   2.858 -15.742  -1.243
  330   2HB   ARG  47          1HB       ARG  47   1.553 -15.164  -0.153
  331   1HG   ARG  47          2HG       ARG  47   1.013 -13.406  -1.948
  332   2HG   ARG  47          1HG       ARG  47   2.072 -14.310  -3.063
  333   1HD   ARG  47          2HD       ARG  47  -0.386 -15.506  -1.605
  334   2HD   ARG  47          1HD       ARG  47  -0.462 -14.766  -3.239
  335    HE   ARG  47           HE       ARG  47   0.779 -17.378  -2.519
  336   1HH1  ARG  47          1HH1      ARG  47   1.017 -14.845  -5.028
  337   2HH1  ARG  47          2HH1      ARG  47   1.329 -16.038  -6.227
  338   1HH2  ARG  47          1HH2      ARG  47   0.551 -18.826  -4.361
  339   2HH2  ARG  47          2HH2      ARG  47   0.707 -18.152  -5.939
  340    H    ASP  48           H        ASP  48   2.575 -13.118   1.967
  341    HA   ASP  48           HA       ASP  48   5.045 -14.111   3.073
  342   1HB   ASP  48          2HB       ASP  48   3.904 -11.837   3.597
  343   2HB   ASP  48          1HB       ASP  48   2.700 -12.773   4.546
  344    H    LEU  49           H        LEU  49   5.226 -16.125   3.923
  345    HA   LEU  49           HA       LEU  49   2.930 -17.749   3.473
  346   1HB   LEU  49          2HB       LEU  49   5.822 -18.473   4.078
  347   2HB   LEU  49          1HB       LEU  49   4.551 -19.622   3.551
  348    HG   LEU  49           HG       LEU  49   5.615 -17.254   1.912
  349   1HD1  LEU  49          1HD1      LEU  49   6.635 -19.031   0.485
  350   2HD1  LEU  49          2HD1      LEU  49   6.029 -20.295   1.620
  351   3HD1  LEU  49          3HD1      LEU  49   7.262 -19.106   2.177
  352   1HD2  LEU  49          1HD2      LEU  49   3.250 -17.668   1.296
  353   2HD2  LEU  49          2HD2      LEU  49   3.570 -19.445   1.174
  354   3HD2  LEU  49          3HD2      LEU  49   4.337 -18.300   0.012
  355    H    LYS  50           H        LYS  50   3.192 -16.153   6.074
  356    HA   LYS  50           HA       LYS  50   3.639 -17.806   8.179
  357   1HB   LYS  50          2HB       LYS  50   1.610 -15.509   7.906
  358   2HB   LYS  50          1HB       LYS  50   2.280 -16.133   9.451
  359   1HG   LYS  50          2HG       LYS  50   3.902 -14.733   7.222
  360   2HG   LYS  50          1HG       LYS  50   3.271 -14.003   8.717
  361   1HD   LYS  50          2HD       LYS  50   5.155 -14.580   9.796
  362   2HD   LYS  50          1HD       LYS  50   4.604 -16.272   9.661
  363   1HE   LYS  50          2HE       LYS  50   6.847 -16.282   8.871
  364   2HE   LYS  50          1HE       LYS  50   5.818 -16.416   7.390
  365   1HZ   LYS  50          1HZ       LYS  50   7.720 -14.818   7.316
  366   2HZ   LYS  50          2HZ       LYS  50   6.926 -13.830   8.409
  367   3HZ   LYS  50          3HZ       LYS  50   6.244 -14.147   6.888
  368    H    TRP  51           H        TRP  51   0.394 -17.073   6.827
  369    HA   TRP  51           HA       TRP  51  -0.688 -19.247   8.399
  370   1HB   TRP  51          2HB       TRP  51  -2.868 -18.533   7.386
  371   2HB   TRP  51          1HB       TRP  51  -2.023 -17.364   8.443
  372    HD1  TRP  51           HD       TRP  51  -1.498 -14.980   7.416
  373    HE1  TRP  51           1HE      TRP  51  -2.343 -13.839   5.255
  374    HE3  TRP  51           3HE      TRP  51  -3.099 -19.090   4.878
  375    HZ2  TRP  51           2HZ      TRP  51  -3.304 -14.611   2.754
  376    HZ3  TRP  51           3HZ      TRP  51  -3.913 -18.819   2.597
  377    HH2  TRP  51           HH       TRP  51  -4.035 -16.633   1.550
  378    H    TRP  52           H        TRP  52   0.309 -18.766   5.135
  379    HA   TRP  52           HA       TRP  52  -1.145 -20.618   3.791
  380   1HB   TRP  52          2HB       TRP  52   1.720 -19.631   3.451
  381   2HB   TRP  52          1HB       TRP  52   1.041 -20.837   2.324
  382    HD1  TRP  52           HD       TRP  52   0.830 -17.049   2.871
  383    HE1  TRP  52           1HE      TRP  52  -0.666 -16.106   1.019
  384    HE3  TRP  52           3HE      TRP  52  -0.993 -21.421   1.039
  385    HZ2  TRP  52           2HZ      TRP  52  -2.318 -17.113  -1.038
  386    HZ3  TRP  52           3HZ      TRP  52  -2.545 -21.357  -0.844
  387    HH2  TRP  52           HH       TRP  52  -3.207 -19.251  -1.862
  388    H    GLU  53           H        GLU  53   1.799 -21.390   5.650
  389    HA   GLU  53           HA       GLU  53   1.874 -24.021   4.560
  390   1HB   GLU  53          2HB       GLU  53   3.419 -22.834   6.899
  391   2HB   GLU  53          1HB       GLU  53   3.754 -24.390   6.077
  392   1HG   GLU  53          2HG       GLU  53   4.208 -23.127   3.922
  393   2HG   GLU  53          1HG       GLU  53   4.009 -21.582   4.830
  394    H    LEU  54           H        LEU  54  -0.570 -24.050   5.471
  395    HA   LEU  54           HA       LEU  54  -0.554 -25.543   7.979
  396   1HB   LEU  54          2HB       LEU  54  -2.305 -23.781   7.387
  397   2HB   LEU  54          1HB       LEU  54  -2.904 -24.887   6.127
  398    HG   LEU  54           HG       LEU  54  -4.211 -24.812   8.244
  399   1HD1  LEU  54          1HD1      LEU  54  -4.397 -26.833   6.827
  400   2HD1  LEU  54          2HD1      LEU  54  -4.588 -27.218   8.577
  401   3HD1  LEU  54          3HD1      LEU  54  -3.049 -27.615   7.746
  402   1HD2  LEU  54          1HD2      LEU  54  -3.459 -25.771  10.341
  403   2HD2  LEU  54          2HD2      LEU  54  -2.267 -24.515   9.830
  404   3HD2  LEU  54          3HD2      LEU  54  -1.881 -26.267   9.631
  Start of MODEL   10
    1   1H    VAL   1          1HT       VAL   1   7.382  17.185   5.963
    2   2H    VAL   1          2HT       VAL   1   8.824  17.977   6.337
    3   3H    VAL   1          3HT       VAL   1   7.693  18.712   5.333
    4    HA   VAL   1           HA       VAL   1   7.838  18.483   8.198
    5    HB   VAL   1           HB       VAL   1   6.563  20.516   8.275
    6   1HG1  VAL   1          1HG1      VAL   1   8.712  20.636   6.061
    7   2HG1  VAL   1          2HG1      VAL   1   9.041  20.561   7.836
    8   3HG1  VAL   1          3HG1      VAL   1   8.163  21.961   7.139
    9   1HG2  VAL   1          1HG2      VAL   1   6.232  20.234   5.211
   10   2HG2  VAL   1          2HG2      VAL   1   5.818  21.664   6.211
   11   3HG2  VAL   1          3HG2      VAL   1   4.919  20.136   6.452
   12    H    VAL   2           H        VAL   2   5.895  18.570   9.681
   13    HA   VAL   2           HA       VAL   2   4.407  16.229   8.957
   14    HB   VAL   2           HB       VAL   2   4.661  17.665  11.604
   15   1HG1  VAL   2          1HG1      VAL   2   2.608  16.235  11.495
   16   2HG1  VAL   2          2HG1      VAL   2   3.869  15.419  12.474
   17   3HG1  VAL   2          3HG1      VAL   2   3.570  14.879  10.790
   18   1HG2  VAL   2          1HG2      VAL   2   6.886  16.852  10.859
   19   2HG2  VAL   2          2HG2      VAL   2   6.175  15.241  10.437
   20   3HG2  VAL   2          3HG2      VAL   2   6.236  15.792  12.149
   21    H    SER   3           H        SER   3   2.615  16.653   7.820
   22    HA   SER   3           HA       SER   3   0.572  18.284   9.098
   23   1HB   SER   3          2HB       SER   3   1.139  18.203   6.092
   24   2HB   SER   3          1HB       SER   3  -0.334  18.915   6.828
   25    HG   SER   3           HG       SER   3   1.501  20.371   6.342
   26    H    HIS   4           H        HIS   4  -1.653  17.548   8.009
   27    HA   HIS   4           HA       HIS   4  -1.600  14.690   8.432
   28   1HB   HIS   4          2HB       HIS   4  -3.917  16.619   7.921
   29   2HB   HIS   4          1HB       HIS   4  -4.093  14.901   8.405
   30    HD1  HIS   4           1HD      HIS   4  -5.103  17.422  10.005
   31    HD2  HIS   4           2HD      HIS   4  -1.647  15.218  10.886
   32    HE1  HIS   4           1HE      HIS   4  -4.630  17.745  12.472
   33    HE2  HIS   4           2HE      HIS   4  -2.559  16.440  12.970
   34    H    PHE   5           H        PHE   5  -2.565  13.167   7.165
   35    HA   PHE   5           HA       PHE   5  -2.403  13.701   4.295
   36   1HB   PHE   5          2HB       PHE   5  -1.306  11.447   4.061
   37   2HB   PHE   5          1HB       PHE   5  -0.338  12.705   4.883
   38    HD1  PHE   5           1HD      PHE   5  -2.342   9.669   5.408
   39    HD2  PHE   5           2HD      PHE   5   0.228  12.544   7.146
   40    HE1  PHE   5           1HE      PHE   5  -2.081   8.221   7.385
   41    HE2  PHE   5           2HE      PHE   5   0.528  11.097   9.122
   42    HZ   PHE   5           HZ       PHE   5  -0.633   8.935   9.236
   43    H    ASN   6           H        ASN   6  -3.415  12.014   2.923
   44    HA   ASN   6           HA       ASN   6  -5.728  10.781   4.223
   45   1HB   ASN   6          2HB       ASN   6  -5.670  12.631   1.780
   46   2HB   ASN   6          1HB       ASN   6  -6.994  11.426   2.002
   47   1HD2  ASN   6          1HD2      ASN   6  -8.144  11.441   4.135
   48   2HD2  ASN   6          2HD2      ASN   6  -8.413  12.977   4.898
   49    H    ASP   7           H        ASP   7  -6.815   9.212   2.863
   50    HA   ASP   7           HA       ASP   7  -4.866   7.342   1.930
   51   1HB   ASP   7          2HB       ASP   7  -7.934   7.206   2.080
   52   2HB   ASP   7          1HB       ASP   7  -6.834   5.802   1.832
   53    H    CYS   8           H        CYS   8  -4.759   6.408  -0.132
   54    HA   CYS   8           HA       CYS   8  -5.326   7.953  -2.316
   55   1HB   CYS   8          2HB       CYS   8  -4.581   5.076  -1.766
   56   2HB   CYS   8          1HB       CYS   8  -5.118   5.430  -3.420
   57    HA   PRO   9           HA       PRO   9  -9.438   6.593  -3.371
   58   1HB   PRO   9          2HB       PRO   9  -9.505   6.947  -6.108
   59   2HB   PRO   9          1HB       PRO   9  -9.398   8.341  -4.972
   60   1HG   PRO   9          2HG       PRO   9  -7.068   6.944  -6.413
   61   2HG   PRO   9          1HG       PRO   9  -7.459   8.718  -6.388
   62   1HD   PRO   9          2HD       PRO   9  -5.650   7.596  -4.614
   63   2HD   PRO   9          1HD       PRO   9  -6.777   8.932  -4.089
   64    H    LEU  10           H        LEU  10 -10.529   4.995  -4.910
   65    HA   LEU  10           HA       LEU  10  -9.498   2.529  -4.364
   66   1HB   LEU  10          2HB       LEU  10 -11.858   3.117  -4.674
   67   2HB   LEU  10          1HB       LEU  10 -11.630   3.322  -6.424
   68    HG   LEU  10           HG       LEU  10 -10.881   0.666  -5.125
   69   1HD1  LEU  10          1HD1      LEU  10 -13.091   1.229  -4.115
   70   2HD1  LEU  10          2HD1      LEU  10 -13.230  -0.137  -5.286
   71   3HD1  LEU  10          3HD1      LEU  10 -13.774   1.512  -5.760
   72   1HD2  LEU  10          1HD2      LEU  10 -12.240   1.385  -7.813
   73   2HD2  LEU  10          2HD2      LEU  10 -11.811  -0.274  -7.266
   74   3HD2  LEU  10          3HD2      LEU  10 -10.511   0.915  -7.607
   75    H    SER  11           H        SER  11  -9.406   4.232  -7.476
   76    HA   SER  11           HA       SER  11  -7.683   2.088  -8.532
   77   1HB   SER  11          2HB       SER  11  -9.029   4.347 -10.094
   78   2HB   SER  11          1HB       SER  11  -8.227   2.882 -10.755
   79    HG   SER  11           HG       SER  11  -9.870   1.665  -9.783
   80    H    HIS  12           H        HIS  12  -5.551   2.572  -8.033
   81    HA   HIS  12           HA       HIS  12  -4.575   5.093  -9.097
   82   1HB   HIS  12          2HB       HIS  12  -5.295   5.448  -6.650
   83   2HB   HIS  12          1HB       HIS  12  -4.015   4.298  -6.191
   84    HD1  HIS  12           1HD      HIS  12  -4.449   7.707  -7.928
   85    HD2  HIS  12           2HD      HIS  12  -1.510   5.507  -5.880
   86    HE1  HIS  12           1HE      HIS  12  -2.540   9.263  -7.499
   87    HE2  HIS  12           2HE      HIS  12  -0.787   7.939  -6.300
   88    H    ASP  13           H        ASP  13  -4.265   2.452 -10.051
   89    HA   ASP  13           HA       ASP  13  -1.926   1.265  -8.962
   90   1HB   ASP  13          2HB       ASP  13  -3.962   0.073  -9.798
   91   2HB   ASP  13          1HB       ASP  13  -3.637   0.676 -11.453
   92    H    GLY  14           H        GLY  14   0.159   1.300  -9.757
   93   1HA   GLY  14          2HA       GLY  14   0.780   1.988 -12.379
   94   2HA   GLY  14          1HA       GLY  14   0.945   3.455 -11.343
   95    H    TYR  15           H        TYR  15   2.516   3.456  -9.647
   96    HA   TYR  15           HA       TYR  15   4.740   1.707 -10.170
   97   1HB   TYR  15          2HB       TYR  15   5.017   4.194  -9.642
   98   2HB   TYR  15          1HB       TYR  15   4.488   3.836  -7.961
   99    HD1  TYR  15           1HD      TYR  15   6.089   2.984  -6.448
  100    HD2  TYR  15           2HD      TYR  15   6.883   2.795 -10.617
  101    HE1  TYR  15           1HE      TYR  15   8.297   2.063  -5.978
  102    HE2  TYR  15           2HE      TYR  15   9.090   1.848 -10.156
  103    HH   TYR  15           HH       TYR  15  10.255   1.318  -6.849
  104    H    CYS  16           H        CYS  16   2.511   2.379  -7.432
  105    HA   CYS  16           HA       CYS  16   3.390  -0.105  -6.192
  106   1HB   CYS  16          2HB       CYS  16   1.225   1.848  -5.291
  107   2HB   CYS  16          1HB       CYS  16   1.882   0.459  -4.361
  108    H    LEU  17           H        LEU  17   2.291  -2.000  -6.251
  109    HA   LEU  17           HA       LEU  17  -0.117  -2.091  -7.906
  110   1HB   LEU  17          2HB       LEU  17   0.943  -3.697  -9.445
  111   2HB   LEU  17          1HB       LEU  17   1.692  -2.087  -9.459
  112    HG   LEU  17           HG       LEU  17   3.345  -3.267  -7.634
  113   1HD1  LEU  17          1HD1      LEU  17   2.525  -5.521  -9.578
  114   2HD1  LEU  17          2HD1      LEU  17   2.252  -5.511  -7.794
  115   3HD1  LEU  17          3HD1      LEU  17   3.935  -5.552  -8.452
  116   1HD2  LEU  17          1HD2      LEU  17   3.606  -3.400 -10.701
  117   2HD2  LEU  17          2HD2      LEU  17   4.957  -3.531  -9.515
  118   3HD2  LEU  17          3HD2      LEU  17   4.032  -1.999  -9.648
  119    H    HIS  18           H        HIS  18  -1.068  -4.241  -7.966
  120    HA   HIS  18           HA       HIS  18  -2.165  -5.703  -6.857
  121   1HB   HIS  18          2HB       HIS  18   0.022  -6.887  -6.978
  122   2HB   HIS  18          1HB       HIS  18   0.360  -6.383  -5.300
  123    HD1  HIS  18           1HD      HIS  18  -0.386  -9.272  -6.852
  124    HD2  HIS  18           2HD      HIS  18  -2.558  -7.295  -3.865
  125    HE1  HIS  18           1HE      HIS  18  -1.636 -11.038  -5.570
  126    HE2  HIS  18           2HE      HIS  18  -3.019  -9.780  -3.838
  127    H    ASP  19           H        ASP  19  -2.918  -3.429  -6.032
  128    HA   ASP  19           HA       ASP  19  -4.115  -2.438  -4.583
  129   1HB   ASP  19          2HB       ASP  19  -5.061  -4.790  -4.785
  130   2HB   ASP  19          1HB       ASP  19  -4.355  -5.144  -3.179
  131    H    GLY  20           H        GLY  20  -1.619  -1.741  -4.007
  132   1HA   GLY  20          2HA       GLY  20  -1.096  -2.133  -1.200
  133   2HA   GLY  20          1HA       GLY  20  -0.184  -1.144  -2.385
  134    H    VAL  21           H        VAL  21  -1.250  -0.611   0.507
  135    HA   VAL  21           HA       VAL  21  -3.242   1.375   0.015
  136    HB   VAL  21           HB       VAL  21  -1.777   0.705   2.574
  137   1HG1  VAL  21          1HG1      VAL  21  -3.807   1.836   3.591
  138   2HG1  VAL  21          2HG1      VAL  21  -4.358   2.309   1.942
  139   3HG1  VAL  21          3HG1      VAL  21  -2.834   2.991   2.620
  140   1HG2  VAL  21          1HG2      VAL  21  -3.011  -1.279   1.738
  141   2HG2  VAL  21          2HG2      VAL  21  -4.462  -0.263   1.392
  142   3HG2  VAL  21          3HG2      VAL  21  -3.926  -0.525   3.088
  143    H    CYS  22           H        CYS  22  -2.466   3.093  -1.147
  144    HA   CYS  22           HA       CYS  22   0.063   4.219  -0.326
  145   1HB   CYS  22          2HB       CYS  22  -0.086   5.677  -2.296
  146   2HB   CYS  22          1HB       CYS  22  -0.015   3.914  -2.574
  147    H    MET  23           H        MET  23   0.477   5.941   0.732
  148    HA   MET  23           HA       MET  23  -1.734   7.789   1.361
  149   1HB   MET  23          2HB       MET  23   0.559   6.896   3.170
  150   2HB   MET  23          1HB       MET  23  -0.677   8.146   3.558
  151   1HG   MET  23          2HG       MET  23  -2.475   6.424   3.341
  152   2HG   MET  23          1HG       MET  23  -1.252   5.171   3.019
  153   1HE   MET  23          1HE       MET  23   0.666   4.594   6.241
  154   2HE   MET  23          2HE       MET  23   1.169   5.722   4.943
  155   3HE   MET  23          3HE       MET  23   0.360   4.173   4.522
  156    H    TYR  24           H        TYR  24  -1.382   9.453   0.126
  157    HA   TYR  24           HA       TYR  24   1.222  10.602  -0.316
  158   1HB   TYR  24          2HB       TYR  24  -0.396  10.592  -2.169
  159   2HB   TYR  24          1HB       TYR  24  -1.657  11.329  -1.109
  160    HD1  TYR  24           1HD      TYR  24   1.844  12.123  -2.285
  161    HD2  TYR  24           2HD      TYR  24  -2.134  13.424  -1.523
  162    HE1  TYR  24           1HE      TYR  24   2.362  14.280  -3.265
  163    HE2  TYR  24           2HE      TYR  24  -1.643  15.568  -2.492
  164    HH   TYR  24           HH       TYR  24   1.635  16.415  -3.673
  165    H    ILE  25           H        ILE  25   2.185  12.210   0.863
  166    HA   ILE  25           HA       ILE  25   0.519  13.719   2.713
  167    HB   ILE  25           HB       ILE  25   1.862  12.387   3.982
  168   1HG1  ILE  25          2HG1      ILE  25   3.540  14.896   3.686
  169   2HG1  ILE  25          1HG1      ILE  25   1.830  14.985   4.248
  170   1HG2  ILE  25          1HG2      ILE  25   4.354  12.194   3.673
  171   2HG2  ILE  25          2HG2      ILE  25   4.209  13.025   2.085
  172   3HG2  ILE  25          3HG2      ILE  25   3.423  11.427   2.356
  173   1HD1  ILE  25          1HD1      ILE  25   3.403  14.896   6.205
  174   2HD1  ILE  25          2HD1      ILE  25   4.015  13.292   5.643
  175   3HD1  ILE  25          3HD1      ILE  25   2.294  13.481   6.155
  176    H    GLU  26           H        GLU  26  -0.006  15.508   1.648
  177    HA   GLU  26           HA       GLU  26   1.289  16.465  -0.561
  178   1HB   GLU  26          2HB       GLU  26  -1.085  16.821   0.035
  179   2HB   GLU  26          1HB       GLU  26  -0.588  17.920   1.354
  180   1HG   GLU  26          2HG       GLU  26   0.390  19.511  -0.331
  181   2HG   GLU  26          1HG       GLU  26  -0.039  18.375  -1.663
  182    H    ALA  27           H        ALA  27   1.782  17.350   2.793
  183    HA   ALA  27           HA       ALA  27   3.242  19.630   2.588
  184   1HB   ALA  27          1HB       ALA  27   2.489  18.546   4.694
  185   2HB   ALA  27          2HB       ALA  27   4.250  18.889   4.776
  186   3HB   ALA  27          3HB       ALA  27   3.683  17.207   4.464
  187    H    LEU  28           H        LEU  28   4.429  16.323   2.237
  188    HA   LEU  28           HA       LEU  28   7.137  17.285   1.650
  189   1HB   LEU  28          2HB       LEU  28   5.896  14.597   2.356
  190   2HB   LEU  28          1HB       LEU  28   7.577  14.716   1.746
  191    HG   LEU  28           HG       LEU  28   6.885  16.618   3.962
  192   1HD1  LEU  28          1HD1      LEU  28   7.181  14.862   5.739
  193   2HD1  LEU  28          2HD1      LEU  28   7.021  13.586   4.475
  194   3HD1  LEU  28          3HD1      LEU  28   5.647  14.719   4.808
  195   1HD2  LEU  28          1HD2      LEU  28   9.189  16.459   3.005
  196   2HD2  LEU  28          2HD2      LEU  28   9.246  14.706   3.426
  197   3HD2  LEU  28          3HD2      LEU  28   9.184  15.937   4.735
  198    H    ASP  29           H        ASP  29   4.286  16.006   0.178
  199    HA   ASP  29           HA       ASP  29   3.601  15.824  -1.802
  200   1HB   ASP  29          2HB       ASP  29   4.830  17.945  -2.159
  201   2HB   ASP  29          1HB       ASP  29   6.224  17.012  -2.803
  202    H    LYS  30           H        LYS  30   5.515  13.833  -0.462
  203    HA   LYS  30           HA       LYS  30   5.677  12.021  -2.776
  204   1HB   LYS  30          2HB       LYS  30   7.153  11.820  -0.106
  205   2HB   LYS  30          1HB       LYS  30   7.321  10.710  -1.499
  206   1HG   LYS  30          2HG       LYS  30   8.212  13.636  -1.340
  207   2HG   LYS  30          1HG       LYS  30   9.224  12.166  -1.454
  208   1HD   LYS  30          2HD       LYS  30   8.146  11.706  -3.736
  209   2HD   LYS  30          1HD       LYS  30   7.310  13.283  -3.580
  210   1HE   LYS  30          2HE       LYS  30   9.657  14.383  -3.349
  211   2HE   LYS  30          1HE       LYS  30  10.331  12.794  -3.900
  212   1HZ   LYS  30          1HZ       LYS  30  10.009  14.110  -5.791
  213   2HZ   LYS  30          2HZ       LYS  30   8.496  14.646  -5.319
  214   3HZ   LYS  30          3HZ       LYS  30   8.674  13.047  -5.824
  215    H    TYR  31           H        TYR  31   5.494   9.646  -2.023
  216    HA   TYR  31           HA       TYR  31   3.364   9.396  -0.074
  217   1HB   TYR  31          2HB       TYR  31   1.851   8.170  -1.455
  218   2HB   TYR  31          1HB       TYR  31   2.156   9.769  -2.193
  219    HD1  TYR  31           1HD      TYR  31   3.933   9.888  -4.027
  220    HD2  TYR  31           2HD      TYR  31   2.094   6.309  -2.729
  221    HE1  TYR  31           1HE      TYR  31   4.412   8.866  -6.214
  222    HE2  TYR  31           2HE      TYR  31   2.487   5.288  -4.918
  223    HH   TYR  31           HH       TYR  31   3.142   5.678  -7.061
  224    H    ALA  32           H        ALA  32   3.039   7.242   0.701
  225    HA   ALA  32           HA       ALA  32   5.196   5.381  -0.025
  226   1HB   ALA  32          1HB       ALA  32   5.287   4.644   2.359
  227   2HB   ALA  32          2HB       ALA  32   4.084   5.917   2.795
  228   3HB   ALA  32          3HB       ALA  32   5.730   6.376   2.220
  229    H    CYS  33           H        CYS  33   4.591   3.225  -0.092
  230    HA   CYS  33           HA       CYS  33   1.689   2.755  -0.024
  231   1HB   CYS  33          2HB       CYS  33   3.902   1.435  -1.662
  232   2HB   CYS  33          1HB       CYS  33   2.163   0.982  -1.719
  233    H    ASN  34           H        ASN  34   1.183   1.819   1.856
  234    HA   ASN  34           HA       ASN  34   3.107   0.108   3.156
  235   1HB   ASN  34          2HB       ASN  34   0.372   1.192   3.960
  236   2HB   ASN  34          1HB       ASN  34   1.200  -0.100   4.907
  237   1HD2  ASN  34          1HD2      ASN  34   1.378   1.270   6.739
  238   2HD2  ASN  34          2HD2      ASN  34   2.524   2.576   6.785
  239    H    CYS  35           H        CYS  35   2.982  -1.992   3.590
  240    HA   CYS  35           HA       CYS  35   1.303  -3.501   1.747
  241   1HB   CYS  35          2HB       CYS  35   3.859  -4.328   3.203
  242   2HB   CYS  35          1HB       CYS  35   2.976  -5.262   1.954
  243    H    VAL  36           H        VAL  36   0.100  -5.265   2.370
  244    HA   VAL  36           HA       VAL  36  -0.653  -5.414   5.118
  245    HB   VAL  36           HB       VAL  36  -2.133  -7.301   4.173
  246   1HG1  VAL  36          1HG1      VAL  36  -3.715  -5.586   3.292
  247   2HG1  VAL  36          2HG1      VAL  36  -2.391  -4.371   3.249
  248   3HG1  VAL  36          3HG1      VAL  36  -2.933  -5.048   4.825
  249   1HG2  VAL  36          1HG2      VAL  36  -0.696  -7.541   2.030
  250   2HG2  VAL  36          2HG2      VAL  36  -1.370  -5.946   1.504
  251   3HG2  VAL  36          3HG2      VAL  36  -2.466  -7.332   1.785
  252    H    VAL  37           H        VAL  37  -0.905  -7.519   6.206
  253    HA   VAL  37           HA       VAL  37   1.677  -8.661   6.391
  254    HB   VAL  37           HB       VAL  37  -0.891  -9.254   7.864
  255   1HG1  VAL  37          1HG1      VAL  37   2.047  -9.980   8.492
  256   2HG1  VAL  37          2HG1      VAL  37   0.732 -11.158   8.084
  257   3HG1  VAL  37          3HG1      VAL  37   0.651 -10.200   9.602
  258   1HG2  VAL  37          1HG2      VAL  37  -0.175  -6.877   8.154
  259   2HG2  VAL  37          2HG2      VAL  37   1.514  -7.423   8.499
  260   3HG2  VAL  37          3HG2      VAL  37   0.184  -7.822   9.635
  261    H    GLY  38           H        GLY  38   2.422 -10.399   5.415
  262   1HA   GLY  38          2HA       GLY  38   2.391 -12.620   4.883
  263   2HA   GLY  38          1HA       GLY  38   0.611 -12.585   4.716
  264    H    TYR  39           H        TYR  39   2.422 -10.042   3.260
  265    HA   TYR  39           HA       TYR  39   2.411 -11.367   0.650
  266   1HB   TYR  39          2HB       TYR  39   1.375  -8.563   1.388
  267   2HB   TYR  39          1HB       TYR  39   1.923  -8.971  -0.286
  268    HD1  TYR  39           1HD      TYR  39   0.671 -10.324  -1.694
  269    HD2  TYR  39           2HD      TYR  39  -0.534  -9.864   2.348
  270    HE1  TYR  39           1HE      TYR  39  -1.441 -11.463  -2.198
  271    HE2  TYR  39           2HE      TYR  39  -2.623 -11.022   1.871
  272    HH   TYR  39           HH       TYR  39  -3.890 -12.013   0.315
  273    H    ILE  40           H        ILE  40   4.274 -11.212  -0.407
  274    HA   ILE  40           HA       ILE  40   6.339  -9.463   0.705
  275    HB   ILE  40           HB       ILE  40   7.976 -11.307   0.574
  276   1HG1  ILE  40          2HG1      ILE  40   5.513 -13.140   0.427
  277   2HG1  ILE  40          1HG1      ILE  40   6.539 -12.760  -1.001
  278   1HG2  ILE  40          1HG2      ILE  40   6.884 -10.481   2.683
  279   2HG2  ILE  40          2HG2      ILE  40   7.430 -12.198   2.721
  280   3HG2  ILE  40          3HG2      ILE  40   5.677 -11.813   2.522
  281   1HD1  ILE  40          1HD1      ILE  40   8.558 -13.663   0.244
  282   2HD1  ILE  40          2HD1      ILE  40   7.273 -14.886  -0.039
  283   3HD1  ILE  40          3HD1      ILE  40   7.462 -14.162   1.590
  284    H    GLY  41           H        GLY  41   8.431 -10.461  -0.920
  285   1HA   GLY  41          2HA       GLY  41   9.199 -10.187  -3.013
  286   2HA   GLY  41          1HA       GLY  41   7.550  -9.750  -3.598
  287    H    GLU  42           H        GLU  42   9.826  -8.354  -4.387
  288    HA   GLU  42           HA       GLU  42  10.667  -6.307  -2.866
  289   1HB   GLU  42          2HB       GLU  42  11.229  -5.243  -5.118
  290   2HB   GLU  42          1HB       GLU  42  11.897  -6.846  -4.777
  291   1HG   GLU  42          2HG       GLU  42   9.224  -6.791  -6.241
  292   2HG   GLU  42          1HG       GLU  42  10.667  -6.185  -7.111
  293    H    ARG  43           H        ARG  43   7.767  -6.160  -4.965
  294    HA   ARG  43           HA       ARG  43   7.151  -3.645  -3.540
  295   1HB   ARG  43          2HB       ARG  43   5.900  -2.875  -5.425
  296   2HB   ARG  43          1HB       ARG  43   7.603  -3.153  -5.840
  297   1HG   ARG  43          2HG       ARG  43   5.781  -5.488  -6.380
  298   2HG   ARG  43          1HG       ARG  43   5.393  -4.009  -7.287
  299   1HD   ARG  43          2HD       ARG  43   8.216  -5.262  -7.306
  300   2HD   ARG  43          1HD       ARG  43   6.911  -5.600  -8.528
  301    HE   ARG  43           HE       ARG  43   7.314  -2.715  -8.200
  302   1HH1  ARG  43          1HH1      ARG  43   8.913  -5.562  -9.747
  303   2HH1  ARG  43          2HH1      ARG  43   9.528  -4.567 -11.024
  304   1HH2  ARG  43          1HH2      ARG  43   8.075  -1.581  -9.836
  305   2HH2  ARG  43          2HH2      ARG  43   9.042  -2.274 -11.131
  306    H    CYS  44           H        CYS  44   6.553  -6.303  -2.516
  307    HA   CYS  44           HA       CYS  44   4.961  -7.318  -1.491
  308   1HB   CYS  44          2HB       CYS  44   3.492  -4.665  -1.637
  309   2HB   CYS  44          1HB       CYS  44   3.133  -5.999  -0.504
  310    H    GLN  45           H        GLN  45   4.879  -8.055  -4.030
  311    HA   GLN  45           HA       GLN  45   2.058  -8.081  -4.844
  312   1HB   GLN  45          2HB       GLN  45   3.071  -8.842  -7.057
  313   2HB   GLN  45          1HB       GLN  45   3.404  -7.155  -6.541
  314   1HG   GLN  45          2HG       GLN  45   5.667  -7.778  -5.735
  315   2HG   GLN  45          1HG       GLN  45   5.362  -9.498  -6.122
  316   1HE2  GLN  45          1HE2      GLN  45   3.935  -8.438  -8.805
  317   2HE2  GLN  45          2HE2      GLN  45   5.327  -8.082  -9.789
  318    H    TYR  46           H        TYR  46   4.481 -10.276  -3.539
  319    HA   TYR  46           HA       TYR  46   3.146 -12.535  -4.816
  320   1HB   TYR  46          2HB       TYR  46   5.492 -12.624  -2.891
  321   2HB   TYR  46          1HB       TYR  46   4.923 -13.933  -3.981
  322    HD1  TYR  46           1HD      TYR  46   7.642 -12.676  -3.539
  323    HD2  TYR  46           2HD      TYR  46   4.682 -12.101  -6.541
  324    HE1  TYR  46           1HE      TYR  46   9.346 -11.792  -5.051
  325    HE2  TYR  46           2HE      TYR  46   6.388 -11.267  -8.058
  326    HH   TYR  46           HH       TYR  46   9.491 -10.299  -6.877
  327    H    ARG  47           H        ARG  47   2.000 -14.107  -3.599
  328    HA   ARG  47           HA       ARG  47   1.202 -13.145  -0.938
  329   1HB   ARG  47          2HB       ARG  47  -0.586 -13.578  -2.587
  330   2HB   ARG  47          1HB       ARG  47   0.030 -15.234  -2.838
  331   1HG   ARG  47          2HG       ARG  47  -0.466 -15.779  -0.446
  332   2HG   ARG  47          1HG       ARG  47  -1.135 -14.132  -0.207
  333   1HD   ARG  47          2HD       ARG  47  -2.979 -14.635  -1.807
  334   2HD   ARG  47          1HD       ARG  47  -2.184 -16.215  -2.237
  335    HE   ARG  47           HE       ARG  47  -2.600 -15.953   0.660
  336   1HH1  ARG  47          1HH1      ARG  47  -4.270 -16.997  -2.375
  337   2HH1  ARG  47          2HH1      ARG  47  -5.264 -18.112  -1.515
  338   1HH2  ARG  47          1HH2      ARG  47  -3.966 -17.413   1.692
  339   2HH2  ARG  47          2HH2      ARG  47  -5.056 -18.385   0.719
  340    H    ASP  48           H        ASP  48   1.782 -14.254   0.915
  341    HA   ASP  48           HA       ASP  48   3.113 -16.813   0.554
  342   1HB   ASP  48          2HB       ASP  48   2.810 -14.838   2.851
  343   2HB   ASP  48          1HB       ASP  48   3.023 -16.586   3.243
  344    H    LEU  49           H        LEU  49   2.229 -18.624   0.638
  345    HA   LEU  49           HA       LEU  49  -0.639 -18.760   1.033
  346   1HB   LEU  49          2HB       LEU  49   0.506 -19.587  -1.049
  347   2HB   LEU  49          1HB       LEU  49   1.396 -20.779  -0.071
  348    HG   LEU  49           HG       LEU  49  -0.787 -21.865   0.552
  349   1HD1  LEU  49          1HD1      LEU  49  -2.852 -21.269  -0.743
  350   2HD1  LEU  49          2HD1      LEU  49  -2.017 -19.817  -1.412
  351   3HD1  LEU  49          3HD1      LEU  49  -2.360 -19.939   0.358
  352   1HD2  LEU  49          1HD2      LEU  49  -0.316 -21.528  -2.473
  353   2HD2  LEU  49          2HD2      LEU  49  -1.221 -22.872  -1.678
  354   3HD2  LEU  49          3HD2      LEU  49   0.547 -22.674  -1.382
  355    H    LYS  50           H        LYS  50   2.346 -19.953   2.480
  356    HA   LYS  50           HA       LYS  50   1.259 -22.285   3.429
  357   1HB   LYS  50          2HB       LYS  50   3.745 -20.799   4.403
  358   2HB   LYS  50          1HB       LYS  50   3.387 -22.534   4.705
  359   1HG   LYS  50          2HG       LYS  50   3.821 -21.307   1.925
  360   2HG   LYS  50          1HG       LYS  50   5.030 -22.162   2.907
  361   1HD   LYS  50          2HD       LYS  50   2.704 -23.899   2.798
  362   2HD   LYS  50          1HD       LYS  50   2.903 -23.207   1.169
  363   1HE   LYS  50          2HE       LYS  50   4.194 -25.257   1.218
  364   2HE   LYS  50          1HE       LYS  50   5.395 -23.891   1.280
  365   1HZ   LYS  50          1HZ       LYS  50   5.810 -25.717   2.868
  366   2HZ   LYS  50          2HZ       LYS  50   4.352 -25.398   3.628
  367   3HZ   LYS  50          3HZ       LYS  50   5.592 -24.244   3.664
  368    H    TRP  51           H        TRP  51   1.182 -19.199   5.101
  369    HA   TRP  51           HA       TRP  51   1.009 -20.414   7.663
  370   1HB   TRP  51          2HB       TRP  51   0.520 -18.105   8.456
  371   2HB   TRP  51          1HB       TRP  51   2.025 -18.280   7.504
  372    HD1  TRP  51           HD       TRP  51   2.183 -16.959   5.181
  373    HE1  TRP  51           1HE      TRP  51   0.739 -15.102   4.126
  374    HE3  TRP  51           3HE      TRP  51  -1.798 -17.186   8.315
  375    HZ2  TRP  51           2HZ      TRP  51  -1.613 -13.697   4.795
  376    HZ3  TRP  51           3HZ      TRP  51  -3.601 -15.559   8.062
  377    HH2  TRP  51           HH       TRP  51  -3.524 -13.846   6.331
  378    H    TRP  52           H        TRP  52  -1.349 -19.508   5.307
  379    HA   TRP  52           HA       TRP  52  -3.564 -19.207   6.975
  380   1HB   TRP  52          2HB       TRP  52  -3.522 -20.210   4.084
  381   2HB   TRP  52          1HB       TRP  52  -4.941 -19.571   4.955
  382    HD1  TRP  52           HD       TRP  52  -1.442 -18.249   3.688
  383    HE1  TRP  52           1HE      TRP  52  -1.774 -15.894   2.930
  384    HE3  TRP  52           3HE      TRP  52  -6.298 -17.676   5.072
  385    HZ2  TRP  52           2HZ      TRP  52  -3.977 -14.067   2.583
  386    HZ3  TRP  52           3HZ      TRP  52  -7.450 -15.599   4.489
  387    HH2  TRP  52           HH       TRP  52  -6.314 -13.826   3.267
  388    H    GLU  53           H        GLU  53  -2.697 -22.035   4.971
  389    HA   GLU  53           HA       GLU  53  -4.472 -23.694   6.602
  390   1HB   GLU  53          2HB       GLU  53  -4.791 -23.305   4.049
  391   2HB   GLU  53          1HB       GLU  53  -3.356 -24.318   3.839
  392   1HG   GLU  53          2HG       GLU  53  -5.157 -25.847   3.608
  393   2HG   GLU  53          1HG       GLU  53  -4.672 -26.104   5.318
  394    H    LEU  54           H        LEU  54  -2.662 -23.635   8.214
  395    HA   LEU  54           HA       LEU  54  -1.187 -26.086   7.816
  396   1HB   LEU  54          2HB       LEU  54   0.434 -24.273   7.195
  397   2HB   LEU  54          1HB       LEU  54   0.164 -23.511   8.777
  398    HG   LEU  54           HG       LEU  54   1.116 -25.540   9.908
  399   1HD1  LEU  54          1HD1      LEU  54   0.608 -27.324   8.248
  400   2HD1  LEU  54          2HD1      LEU  54   2.380 -27.230   8.529
  401   3HD1  LEU  54          3HD1      LEU  54   1.673 -26.518   7.029
  402   1HD2  LEU  54          1HD2      LEU  54   3.478 -25.121   9.230
  403   2HD2  LEU  54          2HD2      LEU  54   2.549 -23.579   9.318
  404   3HD2  LEU  54          3HD2      LEU  54   2.911 -24.316   7.716
  Start of MODEL   11
    1   1H    VAL   1          1HT       VAL   1   6.645  20.944   3.314
    2   2H    VAL   1          2HT       VAL   1   6.494  22.035   4.566
    3   3H    VAL   1          3HT       VAL   1   6.262  22.558   2.989
    4    HA   VAL   1           HA       VAL   1   4.145  22.400   3.705
    5    HB   VAL   1           HB       VAL   1   4.603  19.593   2.656
    6   1HG1  VAL   1          1HG1      VAL   1   2.413  20.010   1.517
    7   2HG1  VAL   1          2HG1      VAL   1   2.240  21.572   2.386
    8   3HG1  VAL   1          3HG1      VAL   1   2.232  19.996   3.288
    9   1HG2  VAL   1          1HG2      VAL   1   4.338  20.646   0.394
   10   2HG2  VAL   1          2HG2      VAL   1   5.869  21.137   1.173
   11   3HG2  VAL   1          3HG2      VAL   1   4.461  22.276   1.135
   12    H    VAL   2           H        VAL   2   2.355  21.335   4.996
   13    HA   VAL   2           HA       VAL   2   3.541  20.636   7.516
   14    HB   VAL   2           HB       VAL   2   0.745  21.459   6.745
   15   1HG1  VAL   2          1HG1      VAL   2   2.045  20.990   9.518
   16   2HG1  VAL   2          2HG1      VAL   2   0.627  20.095   8.840
   17   3HG1  VAL   2          3HG1      VAL   2   0.492  21.835   9.236
   18   1HG2  VAL   2          1HG2      VAL   2   3.096  22.920   8.136
   19   2HG2  VAL   2          2HG2      VAL   2   1.439  23.570   7.903
   20   3HG2  VAL   2          3HG2      VAL   2   2.481  23.269   6.476
   21    H    SER   3           H        SER   3   3.075  18.864   8.754
   22    HA   SER   3           HA       SER   3   2.679  16.498   7.283
   23   1HB   SER   3          2HB       SER   3   2.938  16.958  10.310
   24   2HB   SER   3          1HB       SER   3   3.088  15.375   9.471
   25    HG   SER   3           HG       SER   3   5.029  16.303   9.950
   26    H    HIS   4           H        HIS   4   0.476  16.426   6.563
   27    HA   HIS   4           HA       HIS   4  -1.222  15.365   8.705
   28   1HB   HIS   4          2HB       HIS   4  -2.198  16.975   6.295
   29   2HB   HIS   4          1HB       HIS   4  -3.251  16.072   7.434
   30    HD1  HIS   4           1HD      HIS   4  -1.829  19.361   6.956
   31    HD2  HIS   4           2HD      HIS   4  -3.136  17.079  10.222
   32    HE1  HIS   4           1HE      HIS   4  -2.232  20.966   8.856
   33    HE2  HIS   4           2HE      HIS   4  -3.023  19.581  10.794
   34    H    PHE   5           H        PHE   5  -2.608  13.685   8.101
   35    HA   PHE   5           HA       PHE   5  -1.510  11.999   5.989
   36   1HB   PHE   5          2HB       PHE   5  -1.588  11.227   8.425
   37   2HB   PHE   5          1HB       PHE   5  -3.369  11.359   8.365
   38    HD1  PHE   5           1HD      PHE   5  -0.429   9.473   7.330
   39    HD2  PHE   5           2HD      PHE   5  -4.651   9.771   7.032
   40    HE1  PHE   5           1HE      PHE   5  -0.530   7.158   6.541
   41    HE2  PHE   5           2HE      PHE   5  -4.762   7.458   6.233
   42    HZ   PHE   5           HZ       PHE   5  -2.702   6.143   5.985
   43    H    ASN   6           H        ASN   6  -2.832  11.382   4.250
   44    HA   ASN   6           HA       ASN   6  -5.620  12.287   4.309
   45   1HB   ASN   6          2HB       ASN   6  -3.490  12.987   2.216
   46   2HB   ASN   6          1HB       ASN   6  -5.251  13.294   1.984
   47   1HD2  ASN   6          1HD2      ASN   6  -2.338  14.315   3.765
   48   2HD2  ASN   6          2HD2      ASN   6  -2.957  15.927   4.021
   49    H    ASP   7           H        ASP   7  -6.642  11.694   2.066
   50    HA   ASP   7           HA       ASP   7  -6.198   8.901   1.623
   51   1HB   ASP   7          2HB       ASP   7  -8.327   9.121   0.303
   52   2HB   ASP   7          1HB       ASP   7  -8.467   9.606   2.021
   53    H    CYS   8           H        CYS   8  -6.337   8.085  -0.645
   54    HA   CYS   8           HA       CYS   8  -4.105   9.249  -1.956
   55   1HB   CYS   8          2HB       CYS   8  -5.821   6.852  -2.764
   56   2HB   CYS   8          1HB       CYS   8  -4.178   7.216  -3.379
   57    HA   PRO   9           HA       PRO   9  -6.250  11.176  -5.246
   58   1HB   PRO   9          2HB       PRO   9  -4.572   9.409  -7.128
   59   2HB   PRO   9          1HB       PRO   9  -4.952  11.173  -7.324
   60   1HG   PRO   9          2HG       PRO   9  -2.534  10.463  -6.283
   61   2HG   PRO   9          1HG       PRO   9  -3.507  11.739  -5.428
   62   1HD   PRO   9          2HD       PRO   9  -3.301   8.756  -4.735
   63   2HD   PRO   9          1HD       PRO   9  -3.221  10.216  -3.635
   64    H    LEU  10           H        LEU  10  -7.522  10.859  -7.366
   65    HA   LEU  10           HA       LEU  10  -9.614   9.282  -6.655
   66   1HB   LEU  10          2HB       LEU  10  -8.991  10.351  -9.453
   67   2HB   LEU  10          1HB       LEU  10 -10.604   9.900  -8.820
   68    HG   LEU  10           HG       LEU  10  -8.848  12.241  -7.890
   69   1HD1  LEU  10          1HD1      LEU  10 -10.648  13.639  -8.858
   70   2HD1  LEU  10          2HD1      LEU  10 -11.562  12.168  -9.350
   71   3HD1  LEU  10          3HD1      LEU  10  -9.969  12.530 -10.112
   72   1HD2  LEU  10          1HD2      LEU  10 -11.631  11.361  -6.878
   73   2HD2  LEU  10          2HD2      LEU  10 -10.816  12.921  -6.492
   74   3HD2  LEU  10          3HD2      LEU  10 -10.105  11.374  -5.913
   75    H    SER  11           H        SER  11  -7.029   8.460  -8.902
   76    HA   SER  11           HA       SER  11  -8.143   5.751  -9.093
   77   1HB   SER  11          2HB       SER  11  -6.445   5.485 -11.009
   78   2HB   SER  11          1HB       SER  11  -7.894   6.487 -11.295
   79    HG   SER  11           HG       SER  11  -5.235   7.287 -11.068
   80    H    HIS  12           H        HIS  12  -6.910   4.025  -8.514
   81    HA   HIS  12           HA       HIS  12  -4.778   4.437  -6.693
   82   1HB   HIS  12          2HB       HIS  12  -5.715   1.880  -8.099
   83   2HB   HIS  12          1HB       HIS  12  -4.624   1.947  -6.674
   84    HD1  HIS  12           1HD      HIS  12  -6.825   0.268  -5.955
   85    HD2  HIS  12           2HD      HIS  12  -7.321   4.438  -5.847
   86    HE1  HIS  12           1HE      HIS  12  -8.774   0.724  -4.483
   87    HE2  HIS  12           2HE      HIS  12  -9.017   3.234  -4.361
   88    H    ASP  13           H        ASP  13  -2.524   3.791  -6.966
   89    HA   ASP  13           HA       ASP  13  -1.506   4.919  -9.196
   90   1HB   ASP  13          2HB       ASP  13  -0.383   3.195  -6.952
   91   2HB   ASP  13          1HB       ASP  13   0.706   3.697  -8.293
   92    H    GLY  14           H        GLY  14  -0.110   4.306 -10.841
   93   1HA   GLY  14          2HA       GLY  14  -1.105   1.998 -12.224
   94   2HA   GLY  14          1HA       GLY  14   0.046   3.262 -12.793
   95    H    TYR  15           H        TYR  15   1.869   2.996 -10.617
   96    HA   TYR  15           HA       TYR  15   3.376   0.783 -11.517
   97   1HB   TYR  15          2HB       TYR  15   4.059   3.200 -10.602
   98   2HB   TYR  15          1HB       TYR  15   4.030   2.412  -8.994
   99    HD1  TYR  15           1HD      TYR  15   5.844   0.926  -8.429
  100    HD2  TYR  15           2HD      TYR  15   5.400   2.325 -12.416
  101    HE1  TYR  15           1HE      TYR  15   8.054   0.045  -8.981
  102    HE2  TYR  15           2HE      TYR  15   7.597   1.452 -12.983
  103    HH   TYR  15           HH       TYR  15   9.561   0.701 -12.111
  104    H    CYS  16           H        CYS  16   1.098   1.201  -8.942
  105    HA   CYS  16           HA       CYS  16   2.167  -1.018  -7.412
  106   1HB   CYS  16          2HB       CYS  16  -0.275   0.750  -6.940
  107   2HB   CYS  16          1HB       CYS  16   0.341  -0.498  -5.813
  108    H    LEU  17           H        LEU  17   1.529  -3.064  -7.632
  109    HA   LEU  17           HA       LEU  17  -1.055  -3.618  -8.920
  110   1HB   LEU  17          2HB       LEU  17  -0.112  -5.755  -9.716
  111   2HB   LEU  17          1HB       LEU  17   0.587  -4.322 -10.500
  112    HG   LEU  17           HG       LEU  17   2.091  -5.310  -8.087
  113   1HD1  LEU  17          1HD1      LEU  17   2.024  -6.939 -10.703
  114   2HD1  LEU  17          2HD1      LEU  17   1.362  -7.456  -9.107
  115   3HD1  LEU  17          3HD1      LEU  17   3.132  -7.199  -9.294
  116   1HD2  LEU  17          1HD2      LEU  17   4.039  -4.792  -9.535
  117   2HD2  LEU  17          2HD2      LEU  17   2.892  -3.410  -9.577
  118   3HD2  LEU  17          3HD2      LEU  17   2.958  -4.559 -10.963
  119    H    HIS  18           H        HIS  18  -1.951  -5.758  -8.214
  120    HA   HIS  18           HA       HIS  18  -2.746  -7.034  -6.684
  121   1HB   HIS  18          2HB       HIS  18  -0.235  -7.522  -6.354
  122   2HB   HIS  18          1HB       HIS  18  -0.367  -6.578  -4.850
  123    HD1  HIS  18           1HD      HIS  18  -2.623  -7.646  -3.415
  124    HD2  HIS  18           2HD      HIS  18  -0.218 -10.125  -5.760
  125    HE1  HIS  18           1HE      HIS  18  -2.782  -9.997  -2.410
  126    HE2  HIS  18           2HE      HIS  18  -1.243 -11.431  -3.830
  127    H    ASP  19           H        ASP  19  -3.066  -4.114  -6.677
  128    HA   ASP  19           HA       ASP  19  -3.579  -2.378  -5.482
  129   1HB   ASP  19          2HB       ASP  19  -5.589  -3.691  -6.345
  130   2HB   ASP  19          1HB       ASP  19  -5.933  -4.105  -4.637
  131    H    GLY  20           H        GLY  20  -1.713  -2.385  -4.025
  132   1HA   GLY  20          2HA       GLY  20  -2.130  -3.171  -1.341
  133   2HA   GLY  20          1HA       GLY  20  -0.835  -2.137  -2.042
  134    H    VAL  21           H        VAL  21  -2.166  -1.748   0.522
  135    HA   VAL  21           HA       VAL  21  -4.156   0.250   0.082
  136    HB   VAL  21           HB       VAL  21  -2.869  -0.550   2.700
  137   1HG1  VAL  21          1HG1      VAL  21  -5.047   0.382   3.582
  138   2HG1  VAL  21          2HG1      VAL  21  -5.510   0.882   1.918
  139   3HG1  VAL  21          3HG1      VAL  21  -4.109   1.665   2.740
  140   1HG2  VAL  21          1HG2      VAL  21  -3.881  -2.562   1.615
  141   2HG2  VAL  21          2HG2      VAL  21  -5.364  -1.618   1.217
  142   3HG2  VAL  21          3HG2      VAL  21  -4.947  -1.969   2.927
  143    H    CYS  22           H        CYS  22  -3.614   2.220  -0.584
  144    HA   CYS  22           HA       CYS  22  -0.947   3.141  -0.208
  145   1HB   CYS  22          2HB       CYS  22  -1.606   4.926  -1.785
  146   2HB   CYS  22          1HB       CYS  22  -1.976   3.277  -2.358
  147    H    MET  23           H        MET  23  -0.355   5.330   0.454
  148    HA   MET  23           HA       MET  23  -2.331   6.705   2.072
  149   1HB   MET  23          2HB       MET  23  -0.761   7.078   3.940
  150   2HB   MET  23          1HB       MET  23  -1.187   5.356   3.754
  151   1HG   MET  23          2HG       MET  23   0.969   4.887   2.636
  152   2HG   MET  23          1HG       MET  23   1.420   6.611   2.718
  153   1HE   MET  23          1HE       MET  23   3.222   4.197   3.734
  154   2HE   MET  23          2HE       MET  23   3.888   4.943   5.218
  155   3HE   MET  23          3HE       MET  23   3.664   5.940   3.738
  156    H    TYR  24           H        TYR  24  -1.899   8.924   2.394
  157    HA   TYR  24           HA       TYR  24   0.244  10.047   0.741
  158   1HB   TYR  24          2HB       TYR  24  -1.912  10.347  -0.443
  159   2HB   TYR  24          1HB       TYR  24  -2.680  10.919   1.077
  160    HD1  TYR  24           1HD      TYR  24  -3.568  12.626  -0.086
  161    HD2  TYR  24           2HD      TYR  24   0.677  12.316   0.120
  162    HE1  TYR  24           1HE      TYR  24  -3.388  14.911  -0.789
  163    HE2  TYR  24           2HE      TYR  24   0.875  14.616  -0.571
  164    HH   TYR  24           HH       TYR  24  -0.236  16.531  -1.238
  165    H    ILE  25           H        ILE  25   1.665  11.118   2.007
  166    HA   ILE  25           HA       ILE  25   0.661  12.309   4.474
  167    HB   ILE  25           HB       ILE  25   3.100  12.066   5.171
  168   1HG1  ILE  25          2HG1      ILE  25   3.761  11.028   2.861
  169   2HG1  ILE  25          1HG1      ILE  25   4.419  10.400   4.394
  170   1HG2  ILE  25          1HG2      ILE  25   1.030   9.791   5.176
  171   2HG2  ILE  25          2HG2      ILE  25   1.165  11.156   6.341
  172   3HG2  ILE  25          3HG2      ILE  25   2.455   9.903   6.274
  173   1HD1  ILE  25          1HD1      ILE  25   3.799   8.579   2.776
  174   2HD1  ILE  25          2HD1      ILE  25   2.070   9.058   2.911
  175   3HD1  ILE  25          3HD1      ILE  25   2.947   8.441   4.351
  176    H    GLU  26           H        GLU  26   0.526  14.391   4.273
  177    HA   GLU  26           HA       GLU  26   1.539  15.697   2.058
  178   1HB   GLU  26          2HB       GLU  26  -0.110  16.479   4.417
  179   2HB   GLU  26          1HB       GLU  26   0.737  17.798   3.552
  180   1HG   GLU  26          2HG       GLU  26  -0.190  17.004   1.366
  181   2HG   GLU  26          1HG       GLU  26  -1.205  15.807   2.238
  182    H    ALA  27           H        ALA  27   3.265  15.242   5.003
  183    HA   ALA  27           HA       ALA  27   4.478  17.580   5.444
  184   1HB   ALA  27          1HB       ALA  27   4.758  15.518   6.810
  185   2HB   ALA  27          2HB       ALA  27   6.354  16.230   6.402
  186   3HB   ALA  27          3HB       ALA  27   5.751  14.780   5.512
  187    H    LEU  28           H        LEU  28   5.813  15.196   3.131
  188    HA   LEU  28           HA       LEU  28   7.107  17.492   1.798
  189   1HB   LEU  28          2HB       LEU  28   7.941  14.562   1.836
  190   2HB   LEU  28          1HB       LEU  28   8.658  15.847   0.811
  191    HG   LEU  28           HG       LEU  28   8.763  17.079   3.274
  192   1HD1  LEU  28          1HD1      LEU  28   9.327  14.094   3.830
  193   2HD1  LEU  28          2HD1      LEU  28   7.950  15.058   4.496
  194   3HD1  LEU  28          3HD1      LEU  28   9.641  15.480   4.947
  195   1HD2  LEU  28          1HD2      LEU  28  10.524  16.953   1.574
  196   2HD2  LEU  28          2HD2      LEU  28  10.902  15.243   2.042
  197   3HD2  LEU  28          3HD2      LEU  28  11.180  16.593   3.216
  198    H    ASP  29           H        ASP  29   4.389  15.845   1.673
  199    HA   ASP  29           HA       ASP  29   2.874  15.287   0.289
  200   1HB   ASP  29          2HB       ASP  29   3.500  17.594  -0.617
  201   2HB   ASP  29          1HB       ASP  29   4.278  16.739  -1.999
  202    H    LYS  30           H        LYS  30   4.256  13.233   0.851
  203    HA   LYS  30           HA       LYS  30   4.781  11.845  -1.685
  204   1HB   LYS  30          2HB       LYS  30   6.100  11.362   1.025
  205   2HB   LYS  30          1HB       LYS  30   6.470  10.495  -0.498
  206   1HG   LYS  30          2HG       LYS  30   7.015  13.448   0.118
  207   2HG   LYS  30          1HG       LYS  30   8.220  12.129   0.002
  208   1HD   LYS  30          2HD       LYS  30   7.639  11.804  -2.409
  209   2HD   LYS  30          1HD       LYS  30   6.371  13.068  -2.253
  210   1HE   LYS  30          2HE       LYS  30   8.111  14.811  -1.766
  211   2HE   LYS  30          1HE       LYS  30   9.408  13.579  -2.052
  212   1HZ   LYS  30          1HZ       LYS  30   8.783  14.944  -4.037
  213   2HZ   LYS  30          2HZ       LYS  30   7.255  14.262  -4.006
  214   3HZ   LYS  30          3HZ       LYS  30   8.585  13.269  -4.273
  215    H    TYR  31           H        TYR  31   4.709   9.454  -1.476
  216    HA   TYR  31           HA       TYR  31   2.237   8.749  -0.068
  217   1HB   TYR  31          2HB       TYR  31   2.688   7.784  -2.921
  218   2HB   TYR  31          1HB       TYR  31   1.155   8.052  -2.032
  219    HD1  TYR  31           1HD      TYR  31   3.742   9.450  -4.098
  220    HD2  TYR  31           2HD      TYR  31   0.326  10.377  -1.780
  221    HE1  TYR  31           1HE      TYR  31   3.722  11.729  -5.055
  222    HE2  TYR  31           2HE      TYR  31   0.275  12.646  -2.744
  223    HH   TYR  31           HH       TYR  31   2.078  14.244  -3.665
  224    H    ALA  32           H        ALA  32   1.846   6.292  -0.328
  225    HA   ALA  32           HA       ALA  32   3.889   4.820  -1.466
  226   1HB   ALA  32          1HB       ALA  32   3.700   4.527   1.599
  227   2HB   ALA  32          2HB       ALA  32   5.129   5.164   0.713
  228   3HB   ALA  32          3HB       ALA  32   4.658   3.445   0.522
  229    H    CYS  33           H        CYS  33   3.191   2.795  -2.050
  230    HA   CYS  33           HA       CYS  33   0.555   1.941  -1.214
  231   1HB   CYS  33          2HB       CYS  33   2.598   0.737  -3.139
  232   2HB   CYS  33          1HB       CYS  33   0.960   0.076  -2.856
  233    H    ASN  34           H        ASN  34   0.396   0.844   0.735
  234    HA   ASN  34           HA       ASN  34   2.713  -0.668   1.590
  235   1HB   ASN  34          2HB       ASN  34   0.114   0.005   3.047
  236   2HB   ASN  34          1HB       ASN  34   1.511  -0.889   3.750
  237   1HD2  ASN  34          1HD2      ASN  34   0.171   2.042   3.990
  238   2HD2  ASN  34          2HD2      ASN  34   1.604   3.030   4.112
  239    H    CYS  35           H        CYS  35   2.742  -2.800   2.181
  240    HA   CYS  35           HA       CYS  35   0.875  -4.417   0.629
  241   1HB   CYS  35          2HB       CYS  35   3.723  -4.948   1.599
  242   2HB   CYS  35          1HB       CYS  35   2.743  -6.113   0.665
  243    H    VAL  36           H        VAL  36   0.866  -6.734   1.460
  244    HA   VAL  36           HA       VAL  36  -0.600  -6.889   3.707
  245    HB   VAL  36           HB       VAL  36   0.865  -9.387   3.096
  246   1HG1  VAL  36          1HG1      VAL  36  -1.445 -10.185   2.773
  247   2HG1  VAL  36          2HG1      VAL  36  -2.074  -8.501   2.829
  248   3HG1  VAL  36          3HG1      VAL  36  -1.348  -9.244   4.307
  249   1HG2  VAL  36          1HG2      VAL  36  -0.534  -7.937   0.784
  250   2HG2  VAL  36          2HG2      VAL  36  -0.032  -9.653   0.837
  251   3HG2  VAL  36          3HG2      VAL  36   1.227  -8.392   0.871
  252    H    VAL  37           H        VAL  37  -0.292  -7.957   5.810
  253    HA   VAL  37           HA       VAL  37   2.472  -8.034   6.685
  254    HB   VAL  37           HB       VAL  37   0.864  -7.053   8.177
  255   1HG1  VAL  37          1HG1      VAL  37  -0.258  -9.907   8.520
  256   2HG1  VAL  37          2HG1      VAL  37  -1.121  -8.568   7.656
  257   3HG1  VAL  37          3HG1      VAL  37  -0.741  -8.431   9.410
  258   1HG2  VAL  37          1HG2      VAL  37   1.702  -8.253  10.177
  259   2HG2  VAL  37          2HG2      VAL  37   3.016  -8.072   8.957
  260   3HG2  VAL  37          3HG2      VAL  37   2.185  -9.661   9.182
  261    H    GLY  38           H        GLY  38   3.678  -9.835   6.731
  262   1HA   GLY  38          2HA       GLY  38   4.132 -12.050   6.763
  263   2HA   GLY  38          1HA       GLY  38   2.380 -12.436   6.514
  264    H    TYR  39           H        TYR  39   5.138 -10.810   4.888
  265    HA   TYR  39           HA       TYR  39   3.935 -11.550   2.306
  266   1HB   TYR  39          2HB       TYR  39   2.833  -9.561   2.896
  267   2HB   TYR  39          1HB       TYR  39   4.164  -9.028   3.967
  268    HD1  TYR  39           1HD      TYR  39   5.641  -7.493   3.289
  269    HD2  TYR  39           2HD      TYR  39   3.369  -9.609   0.457
  270    HE1  TYR  39           1HE      TYR  39   6.709  -6.149   1.487
  271    HE2  TYR  39           2HE      TYR  39   4.417  -8.351  -1.388
  272    HH   TYR  39           HH       TYR  39   6.489  -7.120  -1.797
  273    H    ILE  40           H        ILE  40   5.294 -11.743   0.589
  274    HA   ILE  40           HA       ILE  40   7.925 -10.625   0.802
  275    HB   ILE  40           HB       ILE  40   8.801 -12.682  -0.526
  276   1HG1  ILE  40          2HG1      ILE  40   6.881 -14.179   1.309
  277   2HG1  ILE  40          1HG1      ILE  40   6.372 -13.766  -0.346
  278   1HG2  ILE  40          1HG2      ILE  40   9.726 -13.565   1.555
  279   2HG2  ILE  40          2HG2      ILE  40   8.425 -12.766   2.512
  280   3HG2  ILE  40          3HG2      ILE  40   9.651 -11.769   1.638
  281   1HD1  ILE  40          1HD1      ILE  40   7.381 -16.061  -0.235
  282   2HD1  ILE  40          2HD1      ILE  40   8.955 -15.342   0.279
  283   3HD1  ILE  40          3HD1      ILE  40   8.284 -14.972  -1.341
  284    H    GLY  41           H        GLY  41   8.930 -10.578  -1.477
  285   1HA   GLY  41          2HA       GLY  41   8.621 -10.830  -3.760
  286   2HA   GLY  41          1HA       GLY  41   6.842 -10.773  -3.554
  287    H    GLU  42           H        GLU  42   9.382  -9.108  -4.757
  288    HA   GLU  42           HA       GLU  42   9.575  -6.845  -3.266
  289   1HB   GLU  42          2HB       GLU  42  10.253  -7.201  -6.230
  290   2HB   GLU  42          1HB       GLU  42  10.967  -6.010  -5.105
  291   1HG   GLU  42          2HG       GLU  42  11.307  -9.090  -5.041
  292   2HG   GLU  42          1HG       GLU  42  12.535  -7.856  -5.461
  293    H    ARG  43           H        ARG  43   7.613  -7.359  -6.169
  294    HA   ARG  43           HA       ARG  43   6.711  -4.582  -6.026
  295   1HB   ARG  43          2HB       ARG  43   5.745  -4.927  -8.202
  296   2HB   ARG  43          1HB       ARG  43   7.479  -5.328  -8.168
  297   1HG   ARG  43          2HG       ARG  43   6.923  -7.788  -8.120
  298   2HG   ARG  43          1HG       ARG  43   5.188  -7.385  -8.168
  299   1HD   ARG  43          2HD       ARG  43   5.579  -6.102 -10.337
  300   2HD   ARG  43          1HD       ARG  43   7.304  -6.563 -10.308
  301    HE   ARG  43           HE       ARG  43   5.032  -8.183 -11.131
  302   1HH1  ARG  43          1HH1      ARG  43   8.526  -8.239 -10.419
  303   2HH1  ARG  43          2HH1      ARG  43   8.716  -9.831 -10.999
  304   1HH2  ARG  43          1HH2      ARG  43   5.356 -10.330 -11.903
  305   2HH2  ARG  43          2HH2      ARG  43   6.982 -10.965 -11.874
  306    H    CYS  44           H        CYS  44   6.014  -6.298  -3.958
  307    HA   CYS  44           HA       CYS  44   4.341  -6.477  -2.561
  308   1HB   CYS  44          2HB       CYS  44   3.688  -4.255  -3.722
  309   2HB   CYS  44          1HB       CYS  44   2.366  -5.192  -4.458
  310    H    GLN  45           H        GLN  45   4.969  -8.541  -4.390
  311    HA   GLN  45           HA       GLN  45   2.544  -9.461  -5.497
  312   1HB   GLN  45          2HB       GLN  45   4.896  -9.282  -6.498
  313   2HB   GLN  45          1HB       GLN  45   5.306 -10.752  -5.579
  314   1HG   GLN  45          2HG       GLN  45   4.794 -11.440  -7.787
  315   2HG   GLN  45          1HG       GLN  45   3.342 -11.922  -6.839
  316   1HE2  GLN  45          1HE2      GLN  45   4.043 -10.996  -9.751
  317   2HE2  GLN  45          2HE2      GLN  45   2.796  -9.826 -10.132
  318    H    TYR  46           H        TYR  46   4.690 -11.100  -3.011
  319    HA   TYR  46           HA       TYR  46   2.854 -13.365  -3.264
  320   1HB   TYR  46          2HB       TYR  46   5.635 -13.312  -2.079
  321   2HB   TYR  46          1HB       TYR  46   4.675 -14.764  -2.533
  322    HD1  TYR  46           1HD      TYR  46   7.510 -13.498  -3.144
  323    HD2  TYR  46           2HD      TYR  46   3.947 -14.128  -5.374
  324    HE1  TYR  46           1HE      TYR  46   8.833 -13.743  -5.163
  325    HE2  TYR  46           2HE      TYR  46   5.273 -14.406  -7.402
  326    HH   TYR  46           HH       TYR  46   8.838 -14.227  -7.321
  327    H    ARG  47           H        ARG  47   2.633 -14.715  -1.264
  328    HA   ARG  47           HA       ARG  47   2.596 -13.053   1.167
  329   1HB   ARG  47          2HB       ARG  47   0.635 -15.171   0.172
  330   2HB   ARG  47          1HB       ARG  47   0.550 -14.412   1.791
  331   1HG   ARG  47          2HG       ARG  47   0.013 -12.237   0.836
  332   2HG   ARG  47          1HG       ARG  47   0.419 -12.798  -0.810
  333   1HD   ARG  47          2HD       ARG  47  -1.956 -12.696  -0.711
  334   2HD   ARG  47          1HD       ARG  47  -1.480 -14.438  -0.765
  335    HE   ARG  47           HE       ARG  47  -2.212 -12.977   1.828
  336   1HH1  ARG  47          1HH1      ARG  47  -2.914 -15.859  -0.303
  337   2HH1  ARG  47          2HH1      ARG  47  -3.799 -16.546   1.026
  338   1HH2  ARG  47          1HH2      ARG  47  -3.498 -13.979   3.258
  339   2HH2  ARG  47          2HH2      ARG  47  -4.103 -15.607   2.945
  340    H    ASP  48           H        ASP  48   3.150 -14.152   3.129
  341    HA   ASP  48           HA       ASP  48   4.631 -16.587   2.893
  342   1HB   ASP  48          2HB       ASP  48   3.648 -14.855   5.215
  343   2HB   ASP  48          1HB       ASP  48   4.277 -16.498   5.537
  344    H    LEU  49           H        LEU  49   3.163 -18.130   1.927
  345    HA   LEU  49           HA       LEU  49   0.673 -18.592   3.201
  346   1HB   LEU  49          2HB       LEU  49   2.120 -20.191   1.044
  347   2HB   LEU  49          1HB       LEU  49   0.410 -20.402   1.528
  348    HG   LEU  49           HG       LEU  49   1.616 -17.906   0.222
  349   1HD1  LEU  49          1HD1      LEU  49   1.354 -19.888  -1.292
  350   2HD1  LEU  49          2HD1      LEU  49   0.204 -18.565  -1.711
  351   3HD1  LEU  49          3HD1      LEU  49  -0.380 -20.020  -0.819
  352   1HD2  LEU  49          1HD2      LEU  49  -1.295 -18.503   1.088
  353   2HD2  LEU  49          2HD2      LEU  49  -0.774 -17.139   0.036
  354   3HD2  LEU  49          3HD2      LEU  49  -0.229 -17.199   1.746
  355    H    LYS  50           H        LYS  50   3.177 -19.142   4.807
  356    HA   LYS  50           HA       LYS  50   3.366 -21.939   5.122
  357   1HB   LYS  50          2HB       LYS  50   4.360 -19.575   6.810
  358   2HB   LYS  50          1HB       LYS  50   4.641 -21.294   7.247
  359   1HG   LYS  50          2HG       LYS  50   6.584 -20.710   6.222
  360   2HG   LYS  50          1HG       LYS  50   5.707 -21.586   4.936
  361   1HD   LYS  50          2HD       LYS  50   5.109 -19.376   3.869
  362   2HD   LYS  50          1HD       LYS  50   5.840 -18.515   5.262
  363   1HE   LYS  50          2HE       LYS  50   7.381 -18.472   3.348
  364   2HE   LYS  50          1HE       LYS  50   8.067 -19.462   4.713
  365   1HZ   LYS  50          1HZ       LYS  50   7.570 -21.435   3.575
  366   2HZ   LYS  50          2HZ       LYS  50   8.238 -20.432   2.405
  367   3HZ   LYS  50          3HZ       LYS  50   6.561 -20.687   2.449
  368    H    TRP  51           H        TRP  51   1.881 -19.442   7.207
  369    HA   TRP  51           HA       TRP  51   0.631 -21.503   8.796
  370   1HB   TRP  51          2HB       TRP  51  -0.284 -19.607  10.107
  371   2HB   TRP  51          1HB       TRP  51   1.501 -19.652   9.999
  372    HD1  TRP  51           HD       TRP  51  -1.507 -17.494   8.761
  373    HE1  TRP  51           1HE      TRP  51  -0.565 -15.206   8.084
  374    HE3  TRP  51           3HE      TRP  51   3.451 -18.535   9.195
  375    HZ2  TRP  51           2HZ      TRP  51   1.961 -13.986   7.889
  376    HZ3  TRP  51           3HZ      TRP  51   5.073 -16.758   8.760
  377    HH2  TRP  51           HH       TRP  51   4.354 -14.526   8.121
  378    H    TRP  52           H        TRP  52  -0.319 -19.305   6.243
  379    HA   TRP  52           HA       TRP  52  -3.054 -19.504   6.547
  380   1HB   TRP  52          2HB       TRP  52  -1.366 -19.057   4.030
  381   2HB   TRP  52          1HB       TRP  52  -3.148 -18.899   4.072
  382    HD1  TRP  52           HD       TRP  52  -0.225 -16.679   4.377
  383    HE1  TRP  52           1HE      TRP  52  -1.036 -14.381   5.149
  384    HE3  TRP  52           3HE      TRP  52  -4.895 -17.988   5.858
  385    HZ2  TRP  52           2HZ      TRP  52  -3.392 -13.274   6.256
  386    HZ3  TRP  52           3HZ      TRP  52  -6.405 -16.248   6.666
  387    HH2  TRP  52           HH       TRP  52  -5.679 -13.928   6.843
  388    H    GLU  53           H        GLU  53  -0.921 -21.696   4.712
  389    HA   GLU  53           HA       GLU  53  -3.223 -23.126   3.721
  390   1HB   GLU  53          2HB       GLU  53  -1.381 -22.742   2.212
  391   2HB   GLU  53          1HB       GLU  53  -0.260 -23.643   3.278
  392   1HG   GLU  53          2HG       GLU  53  -1.384 -25.745   2.860
  393   2HG   GLU  53          1HG       GLU  53  -2.845 -24.926   2.199
  394    H    LEU  54           H        LEU  54  -3.968 -23.424   5.809
  395    HA   LEU  54           HA       LEU  54  -2.874 -25.629   7.336
  396   1HB   LEU  54          2HB       LEU  54  -3.793 -23.477   8.280
  397   2HB   LEU  54          1HB       LEU  54  -5.415 -23.945   7.713
  398    HG   LEU  54           HG       LEU  54  -4.891 -24.233  10.163
  399   1HD1  LEU  54          1HD1      LEU  54  -5.754 -26.822   8.758
  400   2HD1  LEU  54          2HD1      LEU  54  -6.811 -25.405   9.125
  401   3HD1  LEU  54          3HD1      LEU  54  -6.084 -26.360  10.468
  402   1HD2  LEU  54          1HD2      LEU  54  -2.550 -25.112   9.968
  403   2HD2  LEU  54          2HD2      LEU  54  -3.201 -26.661   9.308
  404   3HD2  LEU  54          3HD2      LEU  54  -3.614 -26.159  10.984
  Start of MODEL   12
    1   1H    VAL   1          1HT       VAL   1   6.485  19.011   6.613
    2   2H    VAL   1          2HT       VAL   1   5.789  20.229   7.553
    3   3H    VAL   1          3HT       VAL   1   5.098  19.817   6.091
    4    HA   VAL   1           HA       VAL   1   4.829  17.532   6.966
    5    HB   VAL   1           HB       VAL   1   6.566  18.078   8.785
    6   1HG1  VAL   1          1HG1      VAL   1   4.015  18.784  10.373
    7   2HG1  VAL   1          2HG1      VAL   1   5.257  19.986   9.869
    8   3HG1  VAL   1          3HG1      VAL   1   5.692  18.650  10.981
    9   1HG2  VAL   1          1HG2      VAL   1   5.547  15.855   8.477
   10   2HG2  VAL   1          2HG2      VAL   1   4.113  16.349   9.475
   11   3HG2  VAL   1          3HG2      VAL   1   5.744  16.277  10.204
   12    H    VAL   2           H        VAL   2   2.731  16.776   8.001
   13    HA   VAL   2           HA       VAL   2   0.875  18.885   8.512
   14    HB   VAL   2           HB       VAL   2   0.931  18.469   6.036
   15   1HG1  VAL   2          1HG1      VAL   2  -0.071  16.408   5.150
   16   2HG1  VAL   2          2HG1      VAL   2  -0.262  15.708   6.786
   17   3HG1  VAL   2          3HG1      VAL   2   1.387  15.991   6.114
   18   1HG2  VAL   2          1HG2      VAL   2  -1.760  17.828   7.393
   19   2HG2  VAL   2          2HG2      VAL   2  -1.478  18.473   5.744
   20   3HG2  VAL   2          3HG2      VAL   2  -1.039  19.469   7.173
   21    H    SER   3           H        SER   3  -1.157  17.861   9.498
   22    HA   SER   3           HA       SER   3  -0.544  15.216  10.611
   23   1HB   SER   3          2HB       SER   3  -1.953  15.862  12.582
   24   2HB   SER   3          1HB       SER   3  -0.423  16.760  12.402
   25    HG   SER   3           HG       SER   3  -3.031  17.700  11.885
   26    H    HIS   4           H        HIS   4  -1.825  15.717   8.055
   27    HA   HIS   4           HA       HIS   4  -4.441  14.495   8.674
   28   1HB   HIS   4          2HB       HIS   4  -3.523  15.961   6.142
   29   2HB   HIS   4          1HB       HIS   4  -5.020  14.985   6.265
   30    HD1  HIS   4           1HD      HIS   4  -6.424  16.969   5.698
   31    HD2  HIS   4           2HD      HIS   4  -4.292  17.493   9.268
   32    HE1  HIS   4           1HE      HIS   4  -7.316  19.060   6.776
   33    HE2  HIS   4           2HE      HIS   4  -6.051  19.319   8.957
   34    H    PHE   5           H        PHE   5  -5.037  12.620   7.560
   35    HA   PHE   5           HA       PHE   5  -2.861  11.189   6.216
   36   1HB   PHE   5          2HB       PHE   5  -5.444  10.326   7.630
   37   2HB   PHE   5          1HB       PHE   5  -4.689   9.274   6.382
   38    HD1  PHE   5           1HD      PHE   5  -4.133  10.816   9.704
   39    HD2  PHE   5           2HD      PHE   5  -2.653   8.203   6.697
   40    HE1  PHE   5           1HE      PHE   5  -2.434   9.981  11.262
   41    HE2  PHE   5           2HE      PHE   5  -0.972   7.363   8.232
   42    HZ   PHE   5           HZ       PHE   5  -0.848   8.252  10.537
   43    H    ASN   6           H        ASN   6  -3.126  10.441   4.153
   44    HA   ASN   6           HA       ASN   6  -5.636  11.004   2.817
   45   1HB   ASN   6          2HB       ASN   6  -2.882  11.995   1.887
   46   2HB   ASN   6          1HB       ASN   6  -4.245  11.760   0.738
   47   1HD2  ASN   6          1HD2      ASN   6  -6.432  12.767   1.604
   48   2HD2  ASN   6          2HD2      ASN   6  -6.257  14.442   2.041
   49    H    ASP   7           H        ASP   7  -6.344   9.322   1.867
   50    HA   ASP   7           HA       ASP   7  -4.628   7.327   0.649
   51   1HB   ASP   7          2HB       ASP   7  -6.839   6.762   1.764
   52   2HB   ASP   7          1HB       ASP   7  -7.663   7.938   0.686
   53    H    CYS   8           H        CYS   8  -4.151   7.471  -1.561
   54    HA   CYS   8           HA       CYS   8  -3.933   9.891  -2.711
   55   1HB   CYS   8          2HB       CYS   8  -3.987   7.165  -4.035
   56   2HB   CYS   8          1HB       CYS   8  -3.371   8.655  -4.809
   57    HA   PRO   9           HA       PRO   9  -8.136   9.894  -4.200
   58   1HB   PRO   9          2HB       PRO   9  -8.716  12.558  -4.256
   59   2HB   PRO   9          1HB       PRO   9  -8.455  11.636  -2.730
   60   1HG   PRO   9          2HG       PRO   9  -6.469  13.493  -4.130
   61   2HG   PRO   9          1HG       PRO   9  -6.832  13.316  -2.363
   62   1HD   PRO   9          2HD       PRO   9  -4.702  12.007  -3.766
   63   2HD   PRO   9          1HD       PRO   9  -5.378  11.505  -2.166
   64    H    LEU  10           H        LEU  10  -6.283  12.502  -5.788
   65    HA   LEU  10           HA       LEU  10  -7.720  12.163  -8.186
   66   1HB   LEU  10          2HB       LEU  10  -6.509  13.937  -9.107
   67   2HB   LEU  10          1HB       LEU  10  -6.904  14.353  -7.423
   68    HG   LEU  10           HG       LEU  10  -4.154  13.415  -8.436
   69   1HD1  LEU  10          1HD1      LEU  10  -4.831  15.599  -9.399
   70   2HD1  LEU  10          2HD1      LEU  10  -3.493  15.791  -8.208
   71   3HD1  LEU  10          3HD1      LEU  10  -5.181  16.231  -7.741
   72   1HD2  LEU  10          1HD2      LEU  10  -4.969  14.610  -5.703
   73   2HD2  LEU  10          2HD2      LEU  10  -3.287  14.330  -6.274
   74   3HD2  LEU  10          3HD2      LEU  10  -4.359  12.928  -5.996
   75    H    SER  11           H        SER  11  -4.527  11.098  -7.173
   76    HA   SER  11           HA       SER  11  -3.886  10.118  -9.796
   77   1HB   SER  11          2HB       SER  11  -2.164  10.975  -8.134
   78   2HB   SER  11          1HB       SER  11  -2.475   9.510  -7.153
   79    HG   SER  11           HG       SER  11  -0.788   9.059  -8.472
   80    H    HIS  12           H        HIS  12  -3.410   7.878 -10.277
   81    HA   HIS  12           HA       HIS  12  -4.921   5.990  -8.594
   82   1HB   HIS  12          2HB       HIS  12  -4.800   6.014 -11.648
   83   2HB   HIS  12          1HB       HIS  12  -5.380   4.628 -10.656
   84    HD1  HIS  12           1HD      HIS  12  -6.402   8.093 -11.703
   85    HD2  HIS  12           2HD      HIS  12  -7.805   5.005  -9.232
   86    HE1  HIS  12           1HE      HIS  12  -8.738   8.724 -10.986
   87    HE2  HIS  12           2HE      HIS  12  -9.580   6.848  -9.554
   88    H    ASP  13           H        ASP  13  -4.174   3.886  -8.487
   89    HA   ASP  13           HA       ASP  13  -1.337   3.861  -8.303
   90   1HB   ASP  13          2HB       ASP  13  -3.160   2.998  -6.650
   91   2HB   ASP  13          1HB       ASP  13  -3.224   1.527  -7.670
   92    H    GLY  14           H        GLY  14  -0.149   1.877  -8.935
   93   1HA   GLY  14          2HA       GLY  14  -0.850   0.767 -11.513
   94   2HA   GLY  14          1HA       GLY  14   0.426   2.047 -11.529
   95    H    TYR  15           H        TYR  15   1.972   1.593  -9.411
   96    HA   TYR  15           HA       TYR  15   3.172  -0.882 -10.188
   97   1HB   TYR  15          2HB       TYR  15   4.369   1.363  -9.946
   98   2HB   TYR  15          1HB       TYR  15   4.228   1.166  -8.171
   99    HD1  TYR  15           1HD      TYR  15   6.184   0.358  -7.245
  100    HD2  TYR  15           2HD      TYR  15   5.148  -0.947 -11.155
  101    HE1  TYR  15           1HE      TYR  15   8.211  -0.998  -7.326
  102    HE2  TYR  15           2HE      TYR  15   7.152  -2.329 -11.229
  103    HH   TYR  15           HH       TYR  15   9.543  -2.256  -8.596
  104    H    CYS  16           H        CYS  16   1.300   0.155  -7.347
  105    HA   CYS  16           HA       CYS  16   2.251  -2.208  -5.934
  106   1HB   CYS  16          2HB       CYS  16   1.820   0.143  -4.927
  107   2HB   CYS  16          1HB       CYS  16   0.093  -0.271  -5.003
  108    H    LEU  17           H        LEU  17   0.914  -4.047  -5.515
  109    HA   LEU  17           HA       LEU  17  -1.477  -4.128  -7.224
  110   1HB   LEU  17          2HB       LEU  17   0.866  -5.985  -6.988
  111   2HB   LEU  17          1HB       LEU  17  -0.739  -6.717  -7.194
  112    HG   LEU  17           HG       LEU  17  -1.121  -5.165  -9.190
  113   1HD1  LEU  17          1HD1      LEU  17   0.979  -4.523 -10.449
  114   2HD1  LEU  17          2HD1      LEU  17   1.947  -4.899  -8.975
  115   3HD1  LEU  17          3HD1      LEU  17   0.751  -3.548  -8.960
  116   1HD2  LEU  17          1HD2      LEU  17  -0.036  -6.747 -10.712
  117   2HD2  LEU  17          2HD2      LEU  17  -0.718  -7.639  -9.304
  118   3HD2  LEU  17          3HD2      LEU  17   1.065  -7.318  -9.405
  119    H    HIS  18           H        HIS  18  -2.896  -5.894  -6.781
  120    HA   HIS  18           HA       HIS  18  -4.526  -6.618  -5.643
  121   1HB   HIS  18          2HB       HIS  18  -2.641  -8.203  -5.042
  122   2HB   HIS  18          1HB       HIS  18  -2.640  -7.465  -3.418
  123    HD1  HIS  18           1HD      HIS  18  -4.750  -8.142  -1.931
  124    HD2  HIS  18           2HD      HIS  18  -4.879  -9.741  -5.806
  125    HE1  HIS  18           1HE      HIS  18  -6.553  -9.884  -1.941
  126    HE2  HIS  18           2HE      HIS  18  -6.633 -10.814  -4.291
  127    H    ASP  19           H        ASP  19  -4.680  -4.028  -5.452
  128    HA   ASP  19           HA       ASP  19  -5.490  -2.346  -4.413
  129   1HB   ASP  19          2HB       ASP  19  -6.806  -4.436  -2.629
  130   2HB   ASP  19          1HB       ASP  19  -7.282  -2.697  -2.701
  131    H    GLY  20           H        GLY  20  -3.196  -1.894  -3.877
  132   1HA   GLY  20          2HA       GLY  20  -2.441  -2.189  -1.124
  133   2HA   GLY  20          1HA       GLY  20  -1.591  -1.352  -2.469
  134    H    VAL  21           H        VAL  21  -1.869  -0.370   0.303
  135    HA   VAL  21           HA       VAL  21  -3.819   1.737   0.033
  136    HB   VAL  21           HB       VAL  21  -1.884   1.165   2.288
  137   1HG1  VAL  21          1HG1      VAL  21  -4.380   2.990   2.018
  138   2HG1  VAL  21          2HG1      VAL  21  -2.677   3.551   2.237
  139   3HG1  VAL  21          3HG1      VAL  21  -3.497   2.640   3.549
  140   1HG2  VAL  21          1HG2      VAL  21  -4.857   0.428   1.865
  141   2HG2  VAL  21          2HG2      VAL  21  -3.944   0.247   3.404
  142   3HG2  VAL  21          3HG2      VAL  21  -3.476  -0.732   1.971
  143    H    CYS  22           H        CYS  22  -3.271   3.413  -1.211
  144    HA   CYS  22           HA       CYS  22  -0.510   4.138  -1.610
  145   1HB   CYS  22          2HB       CYS  22  -2.106   3.946  -3.482
  146   2HB   CYS  22          1HB       CYS  22  -3.160   5.166  -2.741
  147    H    MET  23           H        MET  23   0.471   5.454  -0.173
  148    HA   MET  23           HA       MET  23  -1.051   7.820   0.689
  149   1HB   MET  23          2HB       MET  23   1.072   6.311   2.270
  150   2HB   MET  23          1HB       MET  23   0.374   7.916   2.690
  151   1HG   MET  23          2HG       MET  23  -1.899   6.876   2.855
  152   2HG   MET  23          1HG       MET  23  -1.189   5.277   2.487
  153   1HE   MET  23          1HE       MET  23  -3.074   6.099   4.836
  154   2HE   MET  23          2HE       MET  23  -2.386   5.217   6.239
  155   3HE   MET  23          3HE       MET  23  -2.482   4.415   4.639
  156    H    TYR  24           H        TYR  24  -0.407   9.117  -0.894
  157    HA   TYR  24           HA       TYR  24   2.450   9.834  -0.958
  158   1HB   TYR  24          2HB       TYR  24   1.610   9.620  -3.252
  159   2HB   TYR  24          1HB       TYR  24   0.131  10.542  -2.820
  160    HD1  TYR  24           1HD      TYR  24   0.131  12.198  -4.223
  161    HD2  TYR  24           2HD      TYR  24   3.736  11.459  -2.087
  162    HE1  TYR  24           1HE      TYR  24   0.984  14.320  -4.962
  163    HE2  TYR  24           2HE      TYR  24   4.615  13.593  -2.821
  164    HH   TYR  24           HH       TYR  24   4.016  15.680  -3.768
  165    H    ILE  25           H        ILE  25   2.991  11.297   0.585
  166    HA   ILE  25           HA       ILE  25   0.874  13.022   1.591
  167    HB   ILE  25           HB       ILE  25   3.623  12.645   2.756
  168   1HG1  ILE  25          2HG1      ILE  25   1.045  11.029   3.178
  169   2HG1  ILE  25          1HG1      ILE  25   2.650  10.412   2.656
  170   1HG2  ILE  25          1HG2      ILE  25   0.831  13.626   3.660
  171   2HG2  ILE  25          2HG2      ILE  25   2.240  14.701   3.299
  172   3HG2  ILE  25          3HG2      ILE  25   2.277  13.590   4.723
  173   1HD1  ILE  25          1HD1      ILE  25   1.874  11.561   5.392
  174   2HD1  ILE  25          2HD1      ILE  25   3.596  11.318   4.889
  175   3HD1  ILE  25          3HD1      ILE  25   2.482   9.903   5.004
  176    H    GLU  26           H        GLU  26   0.812  14.919   0.410
  177    HA   GLU  26           HA       GLU  26   2.861  15.726  -1.274
  178   1HB   GLU  26          2HB       GLU  26   0.443  16.133  -1.561
  179   2HB   GLU  26          1HB       GLU  26   0.454  17.262  -0.171
  180   1HG   GLU  26          2HG       GLU  26   1.980  18.808  -1.426
  181   2HG   GLU  26          1HG       GLU  26   2.076  17.628  -2.786
  182    H    ALA  27           H        ALA  27   1.952  16.829   1.955
  183    HA   ALA  27           HA       ALA  27   3.686  18.950   2.207
  184   1HB   ALA  27          1HB       ALA  27   3.253  18.623   4.664
  185   2HB   ALA  27          2HB       ALA  27   2.598  16.972   4.308
  186   3HB   ALA  27          3HB       ALA  27   1.758  18.437   3.693
  187    H    LEU  28           H        LEU  28   4.311  15.532   3.057
  188    HA   LEU  28           HA       LEU  28   6.971  16.245   3.934
  189   1HB   LEU  28          2HB       LEU  28   5.495  13.582   3.837
  190   2HB   LEU  28          1HB       LEU  28   7.230  13.739   4.229
  191    HG   LEU  28           HG       LEU  28   6.380  15.589   5.944
  192   1HD1  LEU  28          1HD1      LEU  28   4.262  14.860   7.084
  193   2HD1  LEU  28          2HD1      LEU  28   4.020  13.622   5.807
  194   3HD1  LEU  28          3HD1      LEU  28   3.952  15.380   5.374
  195   1HD2  LEU  28          1HD2      LEU  28   6.318  12.538   6.400
  196   2HD2  LEU  28          2HD2      LEU  28   6.470  13.788   7.697
  197   3HD2  LEU  28          3HD2      LEU  28   7.765  13.611   6.457
  198    H    ASP  29           H        ASP  29   5.416  15.278   1.060
  199    HA   ASP  29           HA       ASP  29   5.990  15.408  -0.960
  200   1HB   ASP  29          2HB       ASP  29   7.693  17.063  -0.223
  201   2HB   ASP  29          1HB       ASP  29   8.891  15.745  -0.048
  202    H    LYS  30           H        LYS  30   6.320  12.811   0.792
  203    HA   LYS  30           HA       LYS  30   7.665  11.285  -1.338
  204   1HB   LYS  30          2HB       LYS  30   7.682  10.545   1.599
  205   2HB   LYS  30          1HB       LYS  30   8.622   9.812   0.261
  206   1HG   LYS  30          2HG       LYS  30   8.930  12.614   1.446
  207   2HG   LYS  30          1HG       LYS  30  10.046  11.250   1.684
  208   1HD   LYS  30          2HD       LYS  30  10.823  11.353  -0.612
  209   2HD   LYS  30          1HD       LYS  30   9.441  12.349  -1.111
  210   1HE   LYS  30          2HE       LYS  30  10.320  14.192   0.541
  211   2HE   LYS  30          1HE       LYS  30  11.854  13.242   0.575
  212   1HZ   LYS  30          1HZ       LYS  30  11.689  13.385  -1.951
  213   2HZ   LYS  30          2HZ       LYS  30  12.153  14.748  -1.092
  214   3HZ   LYS  30          3HZ       LYS  30  10.580  14.648  -1.720
  215    H    TYR  31           H        TYR  31   7.151   9.256  -1.776
  216    HA   TYR  31           HA       TYR  31   4.293   8.687  -1.483
  217   1HB   TYR  31          2HB       TYR  31   6.457   7.752  -3.467
  218   2HB   TYR  31          1HB       TYR  31   4.785   7.114  -3.469
  219    HD1  TYR  31           1HD      TYR  31   3.169   8.128  -4.641
  220    HD2  TYR  31           2HD      TYR  31   6.759  10.251  -3.900
  221    HE1  TYR  31           1HE      TYR  31   2.546   9.775  -6.358
  222    HE2  TYR  31           2HE      TYR  31   6.142  11.912  -5.575
  223    HH   TYR  31           HH       TYR  31   4.766  12.420  -7.225
  224    H    ALA  32           H        ALA  32   3.545   6.732  -0.571
  225    HA   ALA  32           HA       ALA  32   5.228   4.546  -1.173
  226   1HB   ALA  32          1HB       ALA  32   5.326   3.537   1.127
  227   2HB   ALA  32          2HB       ALA  32   4.432   4.963   1.782
  228   3HB   ALA  32          3HB       ALA  32   6.102   5.156   1.149
  229    H    CYS  33           H        CYS  33   4.325   2.524  -1.065
  230    HA   CYS  33           HA       CYS  33   1.426   2.424  -0.648
  231   1HB   CYS  33          2HB       CYS  33   2.327   1.611  -2.872
  232   2HB   CYS  33          1HB       CYS  33   3.258   0.366  -1.999
  233    H    ASN  34           H        ASN  34   0.629   1.054   0.948
  234    HA   ASN  34           HA       ASN  34   2.566  -0.683   2.319
  235   1HB   ASN  34          2HB       ASN  34   1.844   1.214   3.783
  236   2HB   ASN  34          1HB       ASN  34   0.136   0.746   3.523
  237   1HD2  ASN  34          1HD2      ASN  34  -0.567  -0.142   5.415
  238   2HD2  ASN  34          2HD2      ASN  34   0.219  -1.422   6.290
  239    H    CYS  35           H        CYS  35   1.988  -2.789   2.580
  240    HA   CYS  35           HA       CYS  35  -0.536  -3.613   1.378
  241   1HB   CYS  35          2HB       CYS  35   0.552  -5.404   0.218
  242   2HB   CYS  35          1HB       CYS  35   1.325  -3.856  -0.205
  243    H    VAL  36           H        VAL  36  -0.711  -6.146   1.803
  244    HA   VAL  36           HA       VAL  36  -1.198  -6.256   4.599
  245    HB   VAL  36           HB       VAL  36  -1.626  -8.387   2.498
  246   1HG1  VAL  36          1HG1      VAL  36  -2.996  -7.764   5.201
  247   2HG1  VAL  36          2HG1      VAL  36  -2.107  -9.272   4.736
  248   3HG1  VAL  36          3HG1      VAL  36  -3.660  -8.875   3.956
  249   1HG2  VAL  36          1HG2      VAL  36  -3.365  -5.943   3.215
  250   2HG2  VAL  36          2HG2      VAL  36  -3.928  -7.365   2.274
  251   3HG2  VAL  36          3HG2      VAL  36  -2.637  -6.323   1.600
  252    H    VAL  37           H        VAL  37  -0.675  -8.121   5.926
  253    HA   VAL  37           HA       VAL  37   2.042  -8.882   5.800
  254    HB   VAL  37           HB       VAL  37   0.988  -8.356   7.867
  255   1HG1  VAL  37          1HG1      VAL  37  -0.846 -10.791   7.389
  256   2HG1  VAL  37          2HG1      VAL  37  -1.361  -9.061   7.404
  257   3HG1  VAL  37          3HG1      VAL  37  -0.727  -9.826   8.895
  258   1HG2  VAL  37          1HG2      VAL  37   1.715 -10.275   9.207
  259   2HG2  VAL  37          2HG2      VAL  37   2.885 -10.008   7.868
  260   3HG2  VAL  37          3HG2      VAL  37   1.688 -11.361   7.784
  261    H    GLY  38           H        GLY  38   2.971 -10.775   5.220
  262   1HA   GLY  38          2HA       GLY  38   3.150 -12.898   4.590
  263   2HA   GLY  38          1HA       GLY  38   1.360 -13.074   4.624
  264    H    TYR  39           H        TYR  39   2.630 -10.416   2.873
  265    HA   TYR  39           HA       TYR  39   2.368 -11.845   0.328
  266   1HB   TYR  39          2HB       TYR  39   1.363  -9.046   1.105
  267   2HB   TYR  39          1HB       TYR  39   1.587  -9.582  -0.605
  268    HD1  TYR  39           1HD      TYR  39   0.092 -11.068  -1.628
  269    HD2  TYR  39           2HD      TYR  39  -0.267 -10.269   2.527
  270    HE1  TYR  39           1HE      TYR  39  -2.086 -12.187  -1.603
  271    HE2  TYR  39           2HE      TYR  39  -2.418 -11.428   2.571
  272    HH   TYR  39           HH       TYR  39  -3.789 -12.907  -0.356
  273    H    ILE  40           H        ILE  40   4.181 -11.840  -0.779
  274    HA   ILE  40           HA       ILE  40   6.300  -9.999   0.083
  275    HB   ILE  40           HB       ILE  40   7.879 -11.854  -0.374
  276   1HG1  ILE  40          2HG1      ILE  40   5.334 -13.581  -0.348
  277   2HG1  ILE  40          1HG1      ILE  40   6.267 -13.175  -1.825
  278   1HG2  ILE  40          1HG2      ILE  40   7.486 -12.888   1.816
  279   2HG2  ILE  40          2HG2      ILE  40   5.770 -12.346   1.817
  280   3HG2  ILE  40          3HG2      ILE  40   7.105 -11.134   1.905
  281   1HD1  ILE  40          1HD1      ILE  40   8.308 -14.277  -0.849
  282   2HD1  ILE  40          2HD1      ILE  40   6.920 -15.413  -1.017
  283   3HD1  ILE  40          3HD1      ILE  40   7.347 -14.755   0.599
  284    H    GLY  41           H        GLY  41   8.198 -10.111  -1.559
  285   1HA   GLY  41          2HA       GLY  41   8.801  -9.578  -3.681
  286   2HA   GLY  41          1HA       GLY  41   7.079  -9.558  -4.207
  287    H    GLU  42           H        GLU  42   8.706  -7.418  -4.961
  288    HA   GLU  42           HA       GLU  42   8.903  -5.446  -3.023
  289   1HB   GLU  42          2HB       GLU  42   9.708  -4.046  -4.719
  290   2HB   GLU  42          1HB       GLU  42  10.378  -5.666  -4.990
  291   1HG   GLU  42          2HG       GLU  42   8.041  -4.409  -6.588
  292   2HG   GLU  42          1HG       GLU  42   9.761  -4.396  -7.047
  293    H    ARG  43           H        ARG  43   6.456  -6.132  -5.472
  294    HA   ARG  43           HA       ARG  43   4.821  -3.943  -4.387
  295   1HB   ARG  43          2HB       ARG  43   3.573  -4.040  -6.480
  296   2HB   ARG  43          1HB       ARG  43   5.302  -3.688  -6.699
  297   1HG   ARG  43          2HG       ARG  43   5.597  -6.216  -7.301
  298   2HG   ARG  43          1HG       ARG  43   3.805  -6.255  -7.415
  299   1HD   ARG  43          2HD       ARG  43   4.008  -4.243  -9.041
  300   2HD   ARG  43          1HD       ARG  43   5.787  -4.417  -8.952
  301    HE   ARG  43           HE       ARG  43   3.807  -6.254 -10.269
  302   1HH1  ARG  43          1HH1      ARG  43   7.386  -5.891  -9.743
  303   2HH1  ARG  43          2HH1      ARG  43   7.591  -5.880 -11.468
  304   1HH2  ARG  43          1HH2      ARG  43   4.321  -6.824 -12.227
  305   2HH2  ARG  43          2HH2      ARG  43   5.995  -6.985 -12.734
  306    H    CYS  44           H        CYS  44   5.306  -6.655  -3.241
  307    HA   CYS  44           HA       CYS  44   4.244  -8.108  -2.069
  308   1HB   CYS  44          2HB       CYS  44   1.902  -6.174  -2.040
  309   2HB   CYS  44          1HB       CYS  44   2.341  -7.386  -0.791
  310    H    GLN  45           H        GLN  45   4.022  -8.954  -4.656
  311    HA   GLN  45           HA       GLN  45   1.257  -9.374  -5.251
  312   1HB   GLN  45          2HB       GLN  45   3.429  -8.965  -6.759
  313   2HB   GLN  45          1HB       GLN  45   3.465 -10.748  -6.788
  314   1HG   GLN  45          2HG       GLN  45   0.953 -10.634  -7.510
  315   2HG   GLN  45          1HG       GLN  45   1.166  -8.850  -7.634
  316   1HE2  GLN  45          1HE2      GLN  45   3.825  -8.792  -8.748
  317   2HE2  GLN  45          2HE2      GLN  45   3.739  -9.457 -10.354
  318    H    TYR  46           H        TYR  46   3.934 -11.483  -4.127
  319    HA   TYR  46           HA       TYR  46   2.308 -13.792  -4.694
  320   1HB   TYR  46          2HB       TYR  46   5.060 -13.839  -3.383
  321   2HB   TYR  46          1HB       TYR  46   4.262 -15.122  -4.354
  322    HD1  TYR  46           1HD      TYR  46   6.568 -12.498  -4.376
  323    HD2  TYR  46           2HD      TYR  46   3.626 -14.353  -6.817
  324    HE1  TYR  46           1HE      TYR  46   7.664 -11.599  -6.364
  325    HE2  TYR  46           2HE      TYR  46   4.707 -13.439  -8.819
  326    HH   TYR  46           HH       TYR  46   7.876 -12.032  -8.620
  327    H    ARG  47           H        ARG  47   1.494 -15.258  -3.189
  328    HA   ARG  47           HA       ARG  47   1.238 -14.134  -0.497
  329   1HB   ARG  47          2HB       ARG  47  -0.609 -16.096  -0.535
  330   2HB   ARG  47          1HB       ARG  47  -0.921 -14.408  -0.952
  331   1HG   ARG  47          2HG       ARG  47  -0.150 -16.410  -3.126
  332   2HG   ARG  47          1HG       ARG  47  -1.810 -16.305  -2.485
  333   1HD   ARG  47          2HD       ARG  47  -2.101 -13.991  -3.179
  334   2HD   ARG  47          1HD       ARG  47  -0.376 -13.864  -3.692
  335    HE   ARG  47           HE       ARG  47  -2.108 -16.007  -4.954
  336   1HH1  ARG  47          1HH1      ARG  47  -0.308 -12.897  -5.499
  337   2HH1  ARG  47          2HH1      ARG  47  -0.425 -13.152  -7.185
  338   1HH2  ARG  47          1HH2      ARG  47  -2.437 -15.985  -7.137
  339   2HH2  ARG  47          2HH2      ARG  47  -1.947 -14.599  -8.057
  340    H    ASP  48           H        ASP  48   2.353 -14.985   1.107
  341    HA   ASP  48           HA       ASP  48   3.820 -17.409   0.567
  342   1HB   ASP  48          2HB       ASP  48   4.861 -15.204   1.309
  343   2HB   ASP  48          1HB       ASP  48   4.071 -15.432   2.909
  344    H    LEU  49           H        LEU  49   2.279 -19.031   0.800
  345    HA   LEU  49           HA       LEU  49   0.470 -18.890   2.985
  346   1HB   LEU  49          2HB       LEU  49   0.844 -20.958   0.787
  347   2HB   LEU  49          1HB       LEU  49  -0.546 -20.896   1.912
  348    HG   LEU  49           HG       LEU  49   0.198 -18.658  -0.058
  349   1HD1  LEU  49          1HD1      LEU  49  -2.008 -20.800  -0.191
  350   2HD1  LEU  49          2HD1      LEU  49  -0.526 -20.736  -1.219
  351   3HD1  LEU  49          3HD1      LEU  49  -1.780 -19.440  -1.353
  352   1HD2  LEU  49          1HD2      LEU  49  -1.046 -17.732   1.881
  353   2HD2  LEU  49          2HD2      LEU  49  -2.269 -19.060   1.756
  354   3HD2  LEU  49          3HD2      LEU  49  -2.132 -17.830   0.452
  355    H    LYS  50           H        LYS  50   3.528 -19.826   3.345
  356    HA   LYS  50           HA       LYS  50   3.206 -22.391   4.451
  357   1HB   LYS  50          2HB       LYS  50   5.426 -20.325   4.842
  358   2HB   LYS  50          1HB       LYS  50   5.420 -21.958   5.572
  359   1HG   LYS  50          2HG       LYS  50   6.602 -22.520   3.814
  360   2HG   LYS  50          1HG       LYS  50   5.014 -22.765   3.037
  361   1HD   LYS  50          2HD       LYS  50   5.219 -20.528   1.924
  362   2HD   LYS  50          1HD       LYS  50   6.645 -20.152   2.940
  363   1HE   LYS  50          2HE       LYS  50   7.806 -22.219   1.900
  364   2HE   LYS  50          1HE       LYS  50   6.475 -22.234   0.672
  365   1HZ   LYS  50          1HZ       LYS  50   8.324 -21.005  -0.141
  366   2HZ   LYS  50          2HZ       LYS  50   8.443 -20.077   1.250
  367   3HZ   LYS  50          3HZ       LYS  50   7.113 -19.864   0.203
  368    H    TRP  51           H        TRP  51   3.229 -19.174   5.989
  369    HA   TRP  51           HA       TRP  51   2.942 -20.334   8.580
  370   1HB   TRP  51          2HB       TRP  51   2.839 -18.096   9.426
  371   2HB   TRP  51          1HB       TRP  51   4.142 -18.212   8.202
  372    HD1  TRP  51           HD       TRP  51   3.624 -16.895   5.767
  373    HE1  TRP  51           1HE      TRP  51   2.023 -14.981   5.237
  374    HE3  TRP  51           3HE      TRP  51   0.855 -16.980  10.028
  375    HZ2  TRP  51           2HZ      TRP  51   0.092 -13.436   6.640
  376    HZ3  TRP  51           3HZ      TRP  51  -0.836 -15.245  10.374
  377    HH2  TRP  51           HH       TRP  51  -1.211 -13.506   8.719
  378    H    TRP  52           H        TRP  52   0.743 -19.066   6.177
  379    HA   TRP  52           HA       TRP  52  -1.516 -18.848   7.758
  380   1HB   TRP  52          2HB       TRP  52  -1.152 -19.450   4.785
  381   2HB   TRP  52          1HB       TRP  52  -2.769 -19.254   5.524
  382    HD1  TRP  52           HD       TRP  52  -0.197 -17.063   3.920
  383    HE1  TRP  52           1HE      TRP  52  -1.006 -14.634   4.158
  384    HE3  TRP  52           3HE      TRP  52  -3.682 -17.744   7.553
  385    HZ2  TRP  52           2HZ      TRP  52  -2.884 -13.215   5.687
  386    HZ3  TRP  52           3HZ      TRP  52  -4.899 -15.799   8.398
  387    HH2  TRP  52           HH       TRP  52  -4.509 -13.578   7.491
  388    H    GLU  53           H        GLU  53  -0.167 -21.796   6.334
  389    HA   GLU  53           HA       GLU  53  -2.359 -23.236   7.675
  390   1HB   GLU  53          2HB       GLU  53  -2.268 -23.450   5.135
  391   2HB   GLU  53          1HB       GLU  53  -0.714 -24.286   5.348
  392   1HG   GLU  53          2HG       GLU  53  -2.405 -25.978   5.123
  393   2HG   GLU  53          1HG       GLU  53  -1.980 -25.994   6.867
  394    H    LEU  54           H        LEU  54  -1.124 -22.782   9.594
  395    HA   LEU  54           HA       LEU  54   0.667 -24.937  10.198
  396   1HB   LEU  54          2HB       LEU  54   1.928 -22.882   9.183
  397   2HB   LEU  54          1HB       LEU  54   1.574 -22.060  10.719
  398    HG   LEU  54           HG       LEU  54   2.969 -24.803  10.541
  399   1HD1  LEU  54          1HD1      LEU  54   4.238 -23.196   9.125
  400   2HD1  LEU  54          2HD1      LEU  54   5.154 -23.605  10.626
  401   3HD1  LEU  54          3HD1      LEU  54   4.297 -22.020  10.492
  402   1HD2  LEU  54          1HD2      LEU  54   2.193 -24.210  12.824
  403   2HD2  LEU  54          2HD2      LEU  54   2.996 -22.595  12.696
  404   3HD2  LEU  54          3HD2      LEU  54   3.992 -24.101  12.742
  Start of MODEL   13
    1   1H    VAL   1          1HT       VAL   1   7.102  18.308   8.230
    2   2H    VAL   1          2HT       VAL   1   6.481  17.641   6.810
    3   3H    VAL   1          3HT       VAL   1   6.274  16.855   8.283
    4    HA   VAL   1           HA       VAL   1   4.755  18.309   9.091
    5    HB   VAL   1           HB       VAL   1   6.035  20.300   8.589
    6   1HG1  VAL   1          1HG1      VAL   1   5.786  21.480   6.430
    7   2HG1  VAL   1          2HG1      VAL   1   4.867  20.114   5.734
    8   3HG1  VAL   1          3HG1      VAL   1   6.604  19.904   6.184
    9   1HG2  VAL   1          1HG2      VAL   1   3.664  20.489   9.374
   10   2HG2  VAL   1          2HG2      VAL   1   3.104  20.567   7.658
   11   3HG2  VAL   1          3HG2      VAL   1   4.166  21.845   8.318
   12    H    VAL   2           H        VAL   2   2.495  18.082   8.705
   13    HA   VAL   2           HA       VAL   2   1.727  17.524   5.975
   14    HB   VAL   2           HB       VAL   2   2.198  15.373   7.032
   15   1HG1  VAL   2          1HG1      VAL   2   0.005  16.149   9.067
   16   2HG1  VAL   2          2HG1      VAL   2   1.763  15.961   9.428
   17   3HG1  VAL   2          3HG1      VAL   2   0.785  14.549   8.900
   18   1HG2  VAL   2          1HG2      VAL   2  -0.818  15.864   6.591
   19   2HG2  VAL   2          2HG2      VAL   2   0.053  14.303   6.474
   20   3HG2  VAL   2          3HG2      VAL   2   0.404  15.606   5.285
   21    H    SER   3           H        SER   3  -0.409  18.248   5.511
   22    HA   SER   3           HA       SER   3  -1.432  19.991   7.654
   23   1HB   SER   3          2HB       SER   3  -0.574  20.975   5.434
   24   2HB   SER   3          1HB       SER   3  -2.045  20.285   4.685
   25    HG   SER   3           HG       SER   3  -2.446  22.373   5.386
   26    H    HIS   4           H        HIS   4  -2.571  17.901   4.946
   27    HA   HIS   4           HA       HIS   4  -4.718  17.001   6.732
   28   1HB   HIS   4          2HB       HIS   4  -4.947  17.605   3.734
   29   2HB   HIS   4          1HB       HIS   4  -6.084  16.538   4.606
   30    HD1  HIS   4           1HD      HIS   4  -7.004  17.947   7.019
   31    HD2  HIS   4           2HD      HIS   4  -6.438  19.853   3.322
   32    HE1  HIS   4           1HE      HIS   4  -8.493  19.944   7.002
   33    HE2  HIS   4           2HE      HIS   4  -8.195  21.038   4.744
   34    H    PHE   5           H        PHE   5  -5.394  14.806   6.265
   35    HA   PHE   5           HA       PHE   5  -3.200  13.232   5.136
   36   1HB   PHE   5          2HB       PHE   5  -5.186  12.820   7.299
   37   2HB   PHE   5          1HB       PHE   5  -5.178  11.441   6.148
   38    HD1  PHE   5           1HD      PHE   5  -3.332  13.145   8.753
   39    HD2  PHE   5           2HD      PHE   5  -3.074  10.316   5.597
   40    HE1  PHE   5           1HE      PHE   5  -1.272  12.248   9.730
   41    HE2  PHE   5           2HE      PHE   5  -1.000   9.427   6.562
   42    HZ   PHE   5           HZ       PHE   5  -0.096  10.390   8.625
   43    H    ASN   6           H        ASN   6  -3.266  12.613   3.144
   44    HA   ASN   6           HA       ASN   6  -5.850  12.249   1.807
   45   1HB   ASN   6          2HB       ASN   6  -3.255  13.588   0.820
   46   2HB   ASN   6          1HB       ASN   6  -4.534  13.018  -0.298
   47   1HD2  ASN   6          1HD2      ASN   6  -5.664  14.734  -1.055
   48   2HD2  ASN   6          2HD2      ASN   6  -6.125  16.119  -0.107
   49    H    ASP   7           H        ASP   7  -5.658  10.828  -0.078
   50    HA   ASP   7           HA       ASP   7  -3.823   8.612   0.406
   51   1HB   ASP   7          2HB       ASP   7  -6.213   8.938  -1.513
   52   2HB   ASP   7          1HB       ASP   7  -5.272   7.422  -1.273
   53    H    CYS   8           H        CYS   8  -3.430   7.661  -2.130
   54    HA   CYS   8           HA       CYS   8  -1.783   9.409  -3.516
   55   1HB   CYS   8          2HB       CYS   8  -3.353   6.964  -4.403
   56   2HB   CYS   8          1HB       CYS   8  -2.192   7.816  -5.457
   57    HA   PRO   9           HA       PRO   9  -5.209  11.837  -4.558
   58   1HB   PRO   9          2HB       PRO   9  -3.291  13.263  -6.484
   59   2HB   PRO   9          1HB       PRO   9  -4.517  13.992  -5.371
   60   1HG   PRO   9          2HG       PRO   9  -1.903  13.874  -4.579
   61   2HG   PRO   9          1HG       PRO   9  -3.179  13.318  -3.413
   62   1HD   PRO   9          2HD       PRO   9  -1.466  11.571  -5.278
   63   2HD   PRO   9          1HD       PRO   9  -1.822  11.394  -3.504
   64    H    LEU  10           H        LEU  10  -3.479  11.369  -7.662
   65    HA   LEU  10           HA       LEU  10  -5.809  11.944  -9.078
   66   1HB   LEU  10          2HB       LEU  10  -4.540  11.568 -11.093
   67   2HB   LEU  10          1HB       LEU  10  -3.631  12.496  -9.873
   68    HG   LEU  10           HG       LEU  10  -2.686   9.975  -9.298
   69   1HD1  LEU  10          1HD1      LEU  10  -2.163   8.847 -11.476
   70   2HD1  LEU  10          2HD1      LEU  10  -3.202  10.033 -12.349
   71   3HD1  LEU  10          3HD1      LEU  10  -3.940   8.879 -11.188
   72   1HD2  LEU  10          1HD2      LEU  10  -1.643  11.941 -11.431
   73   2HD2  LEU  10          2HD2      LEU  10  -0.676  10.637 -10.633
   74   3HD2  LEU  10          3HD2      LEU  10  -1.324  12.008  -9.661
   75    H    SER  11           H        SER  11  -4.399   8.835  -8.239
   76    HA   SER  11           HA       SER  11  -6.965   7.614  -8.733
   77   1HB   SER  11          2HB       SER  11  -5.598   7.192 -10.870
   78   2HB   SER  11          1HB       SER  11  -4.384   6.351  -9.853
   79    HG   SER  11           HG       SER  11  -5.639   4.698 -10.138
   80    H    HIS  12           H        HIS  12  -7.239   5.781  -7.346
   81    HA   HIS  12           HA       HIS  12  -5.408   5.683  -5.113
   82   1HB   HIS  12          2HB       HIS  12  -7.922   5.511  -4.818
   83   2HB   HIS  12          1HB       HIS  12  -7.908   4.002  -5.764
   84    HD1  HIS  12           1HD      HIS  12  -7.229   5.398  -2.407
   85    HD2  HIS  12           2HD      HIS  12  -6.766   1.712  -4.333
   86    HE1  HIS  12           1HE      HIS  12  -6.478   3.761  -0.652
   87    HE2  HIS  12           2HE      HIS  12  -6.415   1.489  -1.839
   88    H    ASP  13           H        ASP  13  -6.444   3.645  -7.863
   89    HA   ASP  13           HA       ASP  13  -4.342   1.753  -7.096
   90   1HB   ASP  13          2HB       ASP  13  -6.957   1.351  -8.611
   91   2HB   ASP  13          1HB       ASP  13  -5.594   0.174  -8.759
   92    H    GLY  14           H        GLY  14  -2.993   0.860  -8.454
   93   1HA   GLY  14          2HA       GLY  14  -2.688   1.238 -11.126
   94   2HA   GLY  14          1HA       GLY  14  -1.841   2.622 -10.323
   95    H    TYR  15           H        TYR  15  -0.572   1.853  -8.316
   96    HA   TYR  15           HA       TYR  15   1.423   0.146  -9.476
   97   1HB   TYR  15          2HB       TYR  15   1.902   2.434  -8.620
   98   2HB   TYR  15          1HB       TYR  15   1.439   1.914  -6.969
   99    HD1  TYR  15           1HD      TYR  15   3.888   1.452  -9.711
  100    HD2  TYR  15           2HD      TYR  15   2.894   0.581  -5.677
  101    HE1  TYR  15           1HE      TYR  15   6.161   0.652  -9.334
  102    HE2  TYR  15           2HE      TYR  15   5.150  -0.292  -5.299
  103    HH   TYR  15           HH       TYR  15   7.660  -0.011  -7.784
  104    H    CYS  16           H        CYS  16  -0.328   0.150  -6.306
  105    HA   CYS  16           HA       CYS  16   1.306  -2.094  -5.539
  106   1HB   CYS  16          2HB       CYS  16  -0.959  -0.742  -4.002
  107   2HB   CYS  16          1HB       CYS  16   0.156  -1.990  -3.368
  108    H    LEU  17           H        LEU  17   0.773  -4.185  -5.366
  109    HA   LEU  17           HA       LEU  17  -1.736  -5.009  -6.510
  110   1HB   LEU  17          2HB       LEU  17   0.861  -6.423  -5.804
  111   2HB   LEU  17          1HB       LEU  17  -0.622  -7.331  -6.192
  112    HG   LEU  17           HG       LEU  17  -0.791  -6.024  -8.362
  113   1HD1  LEU  17          1HD1      LEU  17   2.166  -5.399  -7.721
  114   2HD1  LEU  17          2HD1      LEU  17   0.856  -4.199  -8.013
  115   3HD1  LEU  17          3HD1      LEU  17   1.404  -5.257  -9.356
  116   1HD2  LEU  17          1HD2      LEU  17   0.739  -7.620  -9.506
  117   2HD2  LEU  17          2HD2      LEU  17  -0.182  -8.417  -8.180
  118   3HD2  LEU  17          3HD2      LEU  17   1.550  -7.978  -7.935
  119    H    HIS  18           H        HIS  18  -2.621  -7.081  -5.498
  120    HA   HIS  18           HA       HIS  18  -4.193  -7.612  -4.109
  121   1HB   HIS  18          2HB       HIS  18  -1.833  -7.711  -2.208
  122   2HB   HIS  18          1HB       HIS  18  -3.392  -8.573  -1.956
  123    HD1  HIS  18           1HD      HIS  18  -4.024 -10.245  -4.204
  124    HD2  HIS  18           2HD      HIS  18  -0.010  -9.463  -3.226
  125    HE1  HIS  18           1HE      HIS  18  -2.671 -12.051  -5.226
  126    HE2  HIS  18           2HE      HIS  18  -0.265 -11.584  -4.625
  127    H    ASP  19           H        ASP  19  -4.530  -4.912  -4.267
  128    HA   ASP  19           HA       ASP  19  -5.593  -3.271  -3.389
  129   1HB   ASP  19          2HB       ASP  19  -6.413  -5.327  -1.294
  130   2HB   ASP  19          1HB       ASP  19  -7.004  -3.634  -1.250
  131    H    GLY  20           H        GLY  20  -2.798  -3.364  -2.822
  132   1HA   GLY  20          2HA       GLY  20  -2.308  -2.460  -0.253
  133   2HA   GLY  20          1HA       GLY  20  -1.340  -2.116  -1.721
  134    H    VAL  21           H        VAL  21  -2.442  -0.612   0.808
  135    HA   VAL  21           HA       VAL  21  -3.972   1.520  -0.384
  136    HB   VAL  21           HB       VAL  21  -3.022   0.986   2.453
  137   1HG1  VAL  21          1HG1      VAL  21  -3.465   3.439   2.099
  138   2HG1  VAL  21          2HG1      VAL  21  -4.752   2.683   3.092
  139   3HG1  VAL  21          3HG1      VAL  21  -5.061   3.037   1.358
  140   1HG2  VAL  21          1HG2      VAL  21  -5.421   0.348   2.827
  141   2HG2  VAL  21          2HG2      VAL  21  -4.640  -0.751   1.642
  142   3HG2  VAL  21          3HG2      VAL  21  -5.750   0.560   1.072
  143    H    CYS  22           H        CYS  22  -2.786   3.107  -1.464
  144    HA   CYS  22           HA       CYS  22  -0.100   3.610  -0.452
  145   1HB   CYS  22          2HB       CYS  22   0.485   4.483  -2.541
  146   2HB   CYS  22          1HB       CYS  22  -0.341   2.931  -2.778
  147    H    MET  23           H        MET  23   0.673   5.463   0.298
  148    HA   MET  23           HA       MET  23  -0.875   7.902  -0.161
  149   1HB   MET  23          2HB       MET  23   0.441   7.053   2.475
  150   2HB   MET  23          1HB       MET  23  -0.142   8.711   2.103
  151   1HG   MET  23          2HG       MET  23  -2.458   7.876   1.873
  152   2HG   MET  23          1HG       MET  23  -1.921   6.211   2.242
  153   1HE   MET  23          1HE       MET  23  -4.183   8.110   3.555
  154   2HE   MET  23          2HE       MET  23  -4.103   7.482   5.238
  155   3HE   MET  23          3HE       MET  23  -3.942   6.355   3.849
  156    H    TYR  24           H        TYR  24   0.454   8.920  -1.574
  157    HA   TYR  24           HA       TYR  24   3.197   9.458  -0.710
  158   1HB   TYR  24          2HB       TYR  24   3.036   9.108  -3.134
  159   2HB   TYR  24          1HB       TYR  24   1.615  10.216  -3.232
  160    HD1  TYR  24           1HD      TYR  24   5.288  10.127  -2.519
  161    HD2  TYR  24           2HD      TYR  24   1.864  12.417  -3.578
  162    HE1  TYR  24           1HE      TYR  24   6.720  12.007  -3.038
  163    HE2  TYR  24           2HE      TYR  24   3.281  14.305  -4.116
  164    HH   TYR  24           HH       TYR  24   6.833  14.181  -3.739
  165    H    ILE  25           H        ILE  25   3.640  11.216   0.544
  166    HA   ILE  25           HA       ILE  25   1.461  13.123   0.906
  167    HB   ILE  25           HB       ILE  25   3.832  12.499   2.698
  168   1HG1  ILE  25          2HG1      ILE  25   1.682  11.805   4.165
  169   2HG1  ILE  25          1HG1      ILE  25   1.014  11.382   2.566
  170   1HG2  ILE  25          1HG2      ILE  25   2.446  13.918   4.281
  171   2HG2  ILE  25          2HG2      ILE  25   1.274  14.221   2.943
  172   3HG2  ILE  25          3HG2      ILE  25   2.973  14.837   2.825
  173   1HD1  ILE  25          1HD1      ILE  25   3.681  10.308   3.742
  174   2HD1  ILE  25          2HD1      ILE  25   2.952   9.815   2.178
  175   3HD1  ILE  25          3HD1      ILE  25   2.111   9.414   3.706
  176    H    GLU  26           H        GLU  26   1.766  14.887  -0.309
  177    HA   GLU  26           HA       GLU  26   4.085  15.276  -1.756
  178   1HB   GLU  26          2HB       GLU  26   1.763  15.832  -2.402
  179   2HB   GLU  26          1HB       GLU  26   1.727  17.156  -1.218
  180   1HG   GLU  26          2HG       GLU  26   3.751  17.017  -3.565
  181   2HG   GLU  26          1HG       GLU  26   2.106  17.704  -3.728
  182    H    ALA  27           H        ALA  27   2.919  16.970   1.129
  183    HA   ALA  27           HA       ALA  27   4.867  18.903   1.309
  184   1HB   ALA  27          1HB       ALA  27   4.190  18.988   3.714
  185   2HB   ALA  27          2HB       ALA  27   3.434  17.368   3.570
  186   3HB   ALA  27          3HB       ALA  27   2.744  18.773   2.666
  187    H    LEU  28           H        LEU  28   5.114  15.485   2.126
  188    HA   LEU  28           HA       LEU  28   7.606  15.922   3.560
  189   1HB   LEU  28          2HB       LEU  28   6.193  13.303   2.839
  190   2HB   LEU  28          1HB       LEU  28   7.558  13.525   3.982
  191    HG   LEU  28           HG       LEU  28   4.677  14.514   4.298
  192   1HD1  LEU  28          1HD1      LEU  28   6.336  12.448   5.883
  193   2HD1  LEU  28          2HD1      LEU  28   5.060  12.051   4.674
  194   3HD1  LEU  28          3HD1      LEU  28   4.623  12.910   6.199
  195   1HD2  LEU  28          1HD2      LEU  28   7.083  14.961   6.166
  196   2HD2  LEU  28          2HD2      LEU  28   5.350  15.234   6.598
  197   3HD2  LEU  28          3HD2      LEU  28   6.104  16.221   5.295
  198    H    ASP  29           H        ASP  29   6.370  14.669   0.528
  199    HA   ASP  29           HA       ASP  29   7.133  13.851  -1.256
  200   1HB   ASP  29          2HB       ASP  29   8.769  15.760  -1.289
  201   2HB   ASP  29          1HB       ASP  29   9.994  14.659  -0.566
  202    H    LYS  30           H        LYS  30   6.912  12.442   1.276
  203    HA   LYS  30           HA       LYS  30   8.522  10.065   0.633
  204   1HB   LYS  30          2HB       LYS  30   7.356  10.871   3.352
  205   2HB   LYS  30          1HB       LYS  30   8.333   9.414   2.990
  206   1HG   LYS  30          2HG       LYS  30   9.288  12.328   2.987
  207   2HG   LYS  30          1HG       LYS  30   9.711  11.027   4.144
  208   1HD   LYS  30          2HD       LYS  30  10.756   9.744   2.192
  209   2HD   LYS  30          1HD       LYS  30  10.386  11.154   1.156
  210   1HE   LYS  30          2HE       LYS  30  11.811  12.609   2.747
  211   2HE   LYS  30          1HE       LYS  30  12.366  11.076   3.531
  212   1HZ   LYS  30          1HZ       LYS  30  12.664  11.904   0.689
  213   2HZ   LYS  30          2HZ       LYS  30  13.011  10.362   1.209
  214   3HZ   LYS  30          3HZ       LYS  30  13.902  11.682   1.832
  215    H    TYR  31           H        TYR  31   7.499   8.032   0.933
  216    HA   TYR  31           HA       TYR  31   4.604   8.177   1.126
  217   1HB   TYR  31          2HB       TYR  31   4.009   7.200  -0.891
  218   2HB   TYR  31          1HB       TYR  31   5.147   8.523  -1.270
  219    HD1  TYR  31           1HD      TYR  31   4.374   5.117  -1.634
  220    HD2  TYR  31           2HD      TYR  31   7.571   7.891  -1.717
  221    HE1  TYR  31           1HE      TYR  31   5.627   3.576  -3.038
  222    HE2  TYR  31           2HE      TYR  31   8.887   6.346  -3.115
  223    HH   TYR  31           HH       TYR  31   7.612   3.213  -4.177
  224    H    ALA  32           H        ALA  32   3.460   6.172   1.167
  225    HA   ALA  32           HA       ALA  32   4.999   3.838   1.903
  226   1HB   ALA  32          1HB       ALA  32   3.710   3.564   4.076
  227   2HB   ALA  32          2HB       ALA  32   3.013   5.209   3.819
  228   3HB   ALA  32          3HB       ALA  32   4.779   5.010   4.091
  229    H    CYS  33           H        CYS  33   4.048   2.059   1.082
  230    HA   CYS  33           HA       CYS  33   1.157   2.189   0.593
  231   1HB   CYS  33          2HB       CYS  33   2.682   1.829  -1.421
  232   2HB   CYS  33          1HB       CYS  33   3.076   0.232  -0.733
  233    H    ASN  34           H        ASN  34  -0.061   1.024   1.962
  234    HA   ASN  34           HA       ASN  34   1.329  -0.850   3.727
  235   1HB   ASN  34          2HB       ASN  34   0.002   1.090   4.635
  236   2HB   ASN  34          1HB       ASN  34  -1.475   0.398   3.897
  237   1HD2  ASN  34          1HD2      ASN  34  -2.693  -0.538   5.562
  238   2HD2  ASN  34          2HD2      ASN  34  -2.022  -1.499   6.844
  239    H    CYS  35           H        CYS  35   0.902  -3.006   3.795
  240    HA   CYS  35           HA       CYS  35  -1.155  -4.012   1.965
  241   1HB   CYS  35          2HB       CYS  35   1.398  -4.162   1.340
  242   2HB   CYS  35          1HB       CYS  35   1.451  -5.469   2.559
  243    H    VAL  36           H        VAL  36  -1.845  -6.294   2.549
  244    HA   VAL  36           HA       VAL  36  -2.372  -6.353   5.351
  245    HB   VAL  36           HB       VAL  36  -3.156  -8.744   3.824
  246   1HG1  VAL  36          1HG1      VAL  36  -3.975  -8.221   6.161
  247   2HG1  VAL  36          2HG1      VAL  36  -5.302  -8.206   4.955
  248   3HG1  VAL  36          3HG1      VAL  36  -4.633  -6.649   5.555
  249   1HG2  VAL  36          1HG2      VAL  36  -4.191  -5.950   3.043
  250   2HG2  VAL  36          2HG2      VAL  36  -5.025  -7.504   2.702
  251   3HG2  VAL  36          3HG2      VAL  36  -3.420  -7.194   1.968
  252    H    VAL  37           H        VAL  37  -2.251  -8.603   6.498
  253    HA   VAL  37           HA       VAL  37   0.444  -9.435   6.514
  254    HB   VAL  37           HB       VAL  37  -0.850  -9.295   8.514
  255   1HG1  VAL  37          1HG1      VAL  37  -2.615 -10.974   9.037
  256   2HG1  VAL  37          2HG1      VAL  37  -2.553 -11.605   7.363
  257   3HG1  VAL  37          3HG1      VAL  37  -3.115  -9.918   7.670
  258   1HG2  VAL  37          1HG2      VAL  37  -0.191 -11.446   9.504
  259   2HG2  VAL  37          2HG2      VAL  37   1.089 -10.897   8.358
  260   3HG2  VAL  37          3HG2      VAL  37  -0.060 -12.219   7.899
  261    H    GLY  38           H        GLY  38   1.423 -11.211   5.672
  262   1HA   GLY  38          2HA       GLY  38   1.561 -13.256   4.748
  263   2HA   GLY  38          1HA       GLY  38  -0.219 -13.308   4.553
  264    H    TYR  39           H        TYR  39   1.397 -10.519   3.361
  265    HA   TYR  39           HA       TYR  39   1.616 -11.633   0.677
  266   1HB   TYR  39          2HB       TYR  39   0.336  -8.923   1.410
  267   2HB   TYR  39          1HB       TYR  39   0.725  -9.468  -0.265
  268    HD1  TYR  39           1HD      TYR  39  -1.650  -9.604   2.410
  269    HD2  TYR  39           2HD      TYR  39  -0.371 -11.543  -1.138
  270    HE1  TYR  39           1HE      TYR  39  -3.807 -10.749   2.275
  271    HE2  TYR  39           2HE      TYR  39  -2.534 -12.689  -1.297
  272    HH   TYR  39           HH       TYR  39  -5.043 -12.300   1.178
  273    H    ILE  40           H        ILE  40   3.516 -11.066  -0.279
  274    HA   ILE  40           HA       ILE  40   5.183  -9.117   1.135
  275    HB   ILE  40           HB       ILE  40   7.099 -10.625   1.038
  276   1HG1  ILE  40          2HG1      ILE  40   4.982 -12.716   0.250
  277   2HG1  ILE  40          1HG1      ILE  40   6.386 -12.151  -0.727
  278   1HG2  ILE  40          1HG2      ILE  40   5.663 -10.208   3.074
  279   2HG2  ILE  40          2HG2      ILE  40   6.507 -11.794   3.067
  280   3HG2  ILE  40          3HG2      ILE  40   4.748 -11.718   2.681
  281   1HD1  ILE  40          1HD1      ILE  40   6.516 -13.761   1.906
  282   2HD1  ILE  40          2HD1      ILE  40   7.943 -13.072   1.042
  283   3HD1  ILE  40          3HD1      ILE  40   6.927 -14.323   0.248
  284    H    GLY  41           H        GLY  41   7.250  -8.718  -0.025
  285   1HA   GLY  41          2HA       GLY  41   8.401  -8.508  -2.009
  286   2HA   GLY  41          1HA       GLY  41   6.874  -8.701  -2.940
  287    H    GLU  42           H        GLU  42   8.571  -6.606  -3.574
  288    HA   GLU  42           HA       GLU  42   8.161  -4.345  -1.959
  289   1HB   GLU  42          2HB       GLU  42   9.215  -4.712  -4.800
  290   2HB   GLU  42          1HB       GLU  42   9.105  -3.111  -4.005
  291   1HG   GLU  42          2HG       GLU  42  10.542  -3.924  -2.113
  292   2HG   GLU  42          1HG       GLU  42  10.748  -5.499  -2.968
  293    H    ARG  43           H        ARG  43   6.583  -5.458  -4.909
  294    HA   ARG  43           HA       ARG  43   4.806  -3.165  -4.940
  295   1HB   ARG  43          2HB       ARG  43   4.104  -5.272  -6.824
  296   2HB   ARG  43          1HB       ARG  43   4.575  -3.595  -7.125
  297   1HG   ARG  43          2HG       ARG  43   6.578  -5.876  -6.603
  298   2HG   ARG  43          1HG       ARG  43   5.909  -5.554  -8.180
  299   1HD   ARG  43          2HD       ARG  43   7.361  -3.274  -6.712
  300   2HD   ARG  43          1HD       ARG  43   8.233  -4.527  -7.691
  301    HE   ARG  43           HE       ARG  43   6.039  -3.550  -9.261
  302   1HH1  ARG  43          1HH1      ARG  43   9.118  -2.234  -7.958
  303   2HH1  ARG  43          2HH1      ARG  43   9.324  -1.233  -9.346
  304   1HH2  ARG  43          1HH2      ARG  43   6.711  -2.486 -11.235
  305   2HH2  ARG  43          2HH2      ARG  43   8.151  -1.570 -11.245
  306    H    CYS  44           H        CYS  44   4.977  -5.702  -3.018
  307    HA   CYS  44           HA       CYS  44   3.838  -7.137  -2.029
  308   1HB   CYS  44          2HB       CYS  44   2.679  -4.897  -1.382
  309   2HB   CYS  44          1HB       CYS  44   1.270  -5.563  -2.252
  310    H    GLN  45           H        GLN  45   4.244  -8.043  -4.464
  311    HA   GLN  45           HA       GLN  45   1.858  -8.881  -5.707
  312   1HB   GLN  45          2HB       GLN  45   4.627 -10.115  -6.106
  313   2HB   GLN  45          1HB       GLN  45   3.266 -10.022  -7.245
  314   1HG   GLN  45          2HG       GLN  45   3.605  -7.435  -7.212
  315   2HG   GLN  45          1HG       GLN  45   5.094  -7.721  -6.227
  316   1HE2  GLN  45          1HE2      GLN  45   3.492  -9.088  -9.139
  317   2HE2  GLN  45          2HE2      GLN  45   4.920  -9.036 -10.162
  318    H    TYR  46           H        TYR  46   3.972 -10.514  -3.336
  319    HA   TYR  46           HA       TYR  46   3.108 -13.094  -4.363
  320   1HB   TYR  46          2HB       TYR  46   5.259 -12.200  -2.373
  321   2HB   TYR  46          1HB       TYR  46   4.983 -13.916  -2.832
  322    HD1  TYR  46           1HD      TYR  46   6.050 -14.784  -4.655
  323    HD2  TYR  46           2HD      TYR  46   5.962 -10.563  -4.183
  324    HE1  TYR  46           1HE      TYR  46   7.809 -14.566  -6.319
  325    HE2  TYR  46           2HE      TYR  46   7.705 -10.329  -5.863
  326    HH   TYR  46           HH       TYR  46   9.308 -13.159  -7.265
  327    H    ARG  47           H        ARG  47   2.382 -14.779  -2.943
  328    HA   ARG  47           HA       ARG  47   1.122 -13.841  -0.473
  329   1HB   ARG  47          2HB       ARG  47  -0.171 -15.074  -2.263
  330   2HB   ARG  47          1HB       ARG  47   0.865 -16.495  -1.976
  331   1HG   ARG  47          2HG       ARG  47  -0.005 -16.562   0.422
  332   2HG   ARG  47          1HG       ARG  47  -1.021 -15.134   0.039
  333   1HD   ARG  47          2HD       ARG  47  -2.217 -16.492  -1.735
  334   2HD   ARG  47          1HD       ARG  47  -1.202 -17.923  -1.282
  335    HE   ARG  47           HE       ARG  47  -2.724 -16.560   0.933
  336   1HH1  ARG  47          1HH1      ARG  47  -2.679 -19.433  -1.311
  337   2HH1  ARG  47          2HH1      ARG  47  -3.946 -20.163  -0.410
  338   1HH2  ARG  47          1HH2      ARG  47  -4.608 -17.506   1.748
  339   2HH2  ARG  47          2HH2      ARG  47  -5.150 -19.008   1.138
  340    H    ASP  48           H        ASP  48   1.682 -14.762   1.543
  341    HA   ASP  48           HA       ASP  48   4.201 -16.120   1.658
  342   1HB   ASP  48          2HB       ASP  48   3.300 -14.293   3.245
  343   2HB   ASP  48          1HB       ASP  48   2.286 -15.577   3.982
  344    H    LEU  49           H        LEU  49   3.923 -18.102   0.644
  345    HA   LEU  49           HA       LEU  49   1.711 -19.770   1.303
  346   1HB   LEU  49          2HB       LEU  49   2.782 -19.700  -0.959
  347   2HB   LEU  49          1HB       LEU  49   4.299 -20.317  -0.242
  348    HG   LEU  49           HG       LEU  49   3.149 -22.454   0.363
  349   1HD1  LEU  49          1HD1      LEU  49   0.908 -22.978  -0.621
  350   2HD1  LEU  49          2HD1      LEU  49   0.723 -21.263  -1.134
  351   3HD1  LEU  49          3HD1      LEU  49   0.792 -21.685   0.624
  352   1HD2  LEU  49          1HD2      LEU  49   2.862 -21.664  -2.601
  353   2HD2  LEU  49          2HD2      LEU  49   2.969 -23.337  -1.942
  354   3HD2  LEU  49          3HD2      LEU  49   4.377 -22.228  -1.795
  355    H    LYS  50           H        LYS  50   4.911 -19.299   2.553
  356    HA   LYS  50           HA       LYS  50   5.236 -21.802   3.816
  357   1HB   LYS  50          2HB       LYS  50   6.429 -19.022   4.167
  358   2HB   LYS  50          1HB       LYS  50   6.787 -20.318   5.330
  359   1HG   LYS  50          2HG       LYS  50   8.602 -20.339   3.887
  360   2HG   LYS  50          1HG       LYS  50   7.626 -21.777   3.507
  361   1HD   LYS  50          2HD       LYS  50   8.408 -20.968   1.459
  362   2HD   LYS  50          1HD       LYS  50   6.685 -20.495   1.486
  363   1HE   LYS  50          2HE       LYS  50   7.372 -18.125   2.066
  364   2HE   LYS  50          1HE       LYS  50   9.101 -18.652   2.112
  365   1HZ   LYS  50          1HZ       LYS  50   8.877 -19.297  -0.258
  366   2HZ   LYS  50          2HZ       LYS  50   8.529 -17.661  -0.014
  367   3HZ   LYS  50          3HZ       LYS  50   7.288 -18.757  -0.246
  368    H    TRP  51           H        TRP  51   3.500 -18.869   4.659
  369    HA   TRP  51           HA       TRP  51   2.840 -19.734   7.285
  370   1HB   TRP  51          2HB       TRP  51   3.039 -17.392   6.742
  371   2HB   TRP  51          1HB       TRP  51   1.848 -17.530   5.399
  372    HD1  TRP  51           HD       TRP  51   1.649 -18.461   9.207
  373    HE1  TRP  51           1HE      TRP  51  -0.409 -17.273  10.192
  374    HE3  TRP  51           3HE      TRP  51   0.184 -15.902   5.095
  375    HZ2  TRP  51           2HZ      TRP  51  -2.564 -15.699   9.219
  376    HZ3  TRP  51           3HZ      TRP  51  -1.828 -14.486   5.226
  377    HH2  TRP  51           HH       TRP  51  -3.163 -14.384   7.242
  378    H    TRP  52           H        TRP  52   1.188 -19.893   4.134
  379    HA   TRP  52           HA       TRP  52  -1.166 -20.941   5.406
  380   1HB   TRP  52          2HB       TRP  52  -0.413 -20.385   2.518
  381   2HB   TRP  52          1HB       TRP  52  -1.917 -21.273   2.946
  382    HD1  TRP  52           HD       TRP  52  -0.654 -17.671   2.869
  383    HE1  TRP  52           1HE      TRP  52  -2.374 -16.177   4.112
  384    HE3  TRP  52           3HE      TRP  52  -3.736 -21.260   4.708
  385    HZ2  TRP  52           2HZ      TRP  52  -4.851 -16.468   5.353
  386    HZ3  TRP  52           3HZ      TRP  52  -5.745 -20.590   5.923
  387    HH2  TRP  52           HH       TRP  52  -6.297 -18.240   6.251
  388    H    GLU  53           H        GLU  53   1.588 -22.479   3.803
  389    HA   GLU  53           HA       GLU  53   0.217 -25.019   4.002
  390   1HB   GLU  53          2HB       GLU  53   1.625 -24.375   2.020
  391   2HB   GLU  53          1HB       GLU  53   3.051 -24.484   3.073
  392   1HG   GLU  53          2HG       GLU  53   2.833 -26.542   1.799
  393   2HG   GLU  53          1HG       GLU  53   2.486 -26.939   3.513
  394    H    LEU  54           H        LEU  54  -0.013 -24.389   6.317
  395    HA   LEU  54           HA       LEU  54   1.951 -25.918   7.856
  396   1HB   LEU  54          2HB       LEU  54   0.286 -23.472   8.681
  397   2HB   LEU  54          1HB       LEU  54   1.179 -24.506   9.838
  398    HG   LEU  54           HG       LEU  54   2.466 -22.841   7.610
  399   1HD1  LEU  54          1HD1      LEU  54   3.238 -21.384   9.487
  400   2HD1  LEU  54          2HD1      LEU  54   2.293 -22.394  10.659
  401   3HD1  LEU  54          3HD1      LEU  54   1.435 -21.440   9.400
  402   1HD2  LEU  54          1HD2      LEU  54   3.846 -24.851   8.178
  403   2HD2  LEU  54          2HD2      LEU  54   3.725 -24.453   9.933
  404   3HD2  LEU  54          3HD2      LEU  54   4.613 -23.355   8.810
  Start of MODEL   14
    1   1H    VAL   1          1HT       VAL   1   6.329  19.258   7.485
    2   2H    VAL   1          2HT       VAL   1   4.767  19.495   6.916
    3   3H    VAL   1          3HT       VAL   1   5.740  18.297   6.258
    4    HA   VAL   1           HA       VAL   1   5.487  16.894   8.008
    5    HB   VAL   1           HB       VAL   1   6.494  18.410   9.545
    6   1HG1  VAL   1          1HG1      VAL   1   5.051  20.450   9.215
    7   2HG1  VAL   1          2HG1      VAL   1   5.213  19.963  10.933
    8   3HG1  VAL   1          3HG1      VAL   1   3.693  19.604  10.059
    9   1HG2  VAL   1          1HG2      VAL   1   5.428  17.546  11.593
   10   2HG2  VAL   1          2HG2      VAL   1   5.568  16.262  10.346
   11   3HG2  VAL   1          3HG2      VAL   1   3.972  17.041  10.675
   12    H    VAL   2           H        VAL   2   3.781  15.581   7.675
   13    HA   VAL   2           HA       VAL   2   1.122  16.577   8.053
   14    HB   VAL   2           HB       VAL   2   1.925  15.203   5.454
   15   1HG1  VAL   2          1HG1      VAL   2  -0.519  15.620   4.900
   16   2HG1  VAL   2          2HG1      VAL   2  -0.794  16.163   6.589
   17   3HG1  VAL   2          3HG1      VAL   2  -0.322  14.450   6.241
   18   1HG2  VAL   2          1HG2      VAL   2   2.543  17.595   5.326
   19   2HG2  VAL   2          2HG2      VAL   2   0.954  18.070   6.044
   20   3HG2  VAL   2          3HG2      VAL   2   1.010  17.327   4.411
   21    H    SER   3           H        SER   3   0.545  15.165   9.636
   22    HA   SER   3           HA       SER   3   1.480  12.413   9.400
   23   1HB   SER   3          2HB       SER   3   1.660  13.970  11.501
   24   2HB   SER   3          1HB       SER   3  -0.031  13.502  11.812
   25    HG   SER   3           HG       SER   3   0.700  11.323  11.811
   26    H    HIS   4           H        HIS   4  -0.229  12.570   7.452
   27    HA   HIS   4           HA       HIS   4  -2.690  11.348   8.485
   28   1HB   HIS   4          2HB       HIS   4  -2.505  13.334   6.174
   29   2HB   HIS   4          1HB       HIS   4  -3.982  12.425   6.633
   30    HD1  HIS   4           1HD      HIS   4  -3.882  15.464   6.577
   31    HD2  HIS   4           2HD      HIS   4  -3.381  13.189  10.062
   32    HE1  HIS   4           1HE      HIS   4  -4.586  16.925   8.524
   33    HE2  HIS   4           2HE      HIS   4  -4.342  15.517  10.578
   34    H    PHE   5           H        PHE   5  -3.760   9.890   7.079
   35    HA   PHE   5           HA       PHE   5  -2.015   8.624   5.108
   36   1HB   PHE   5          2HB       PHE   5  -4.568   7.714   6.571
   37   2HB   PHE   5          1HB       PHE   5  -3.873   6.816   5.187
   38    HD1  PHE   5           1HD      PHE   5  -2.097   5.365   5.463
   39    HD2  PHE   5           2HD      PHE   5  -3.212   7.929   8.650
   40    HE1  PHE   5           1HE      PHE   5  -0.567   4.169   6.946
   41    HE2  PHE   5           2HE      PHE   5  -1.688   6.735  10.151
   42    HZ   PHE   5           HZ       PHE   5  -0.337   4.865   9.295
   43    H    ASN   6           H        ASN   6  -2.530   8.729   2.948
   44    HA   ASN   6           HA       ASN   6  -5.054  10.079   2.257
   45   1HB   ASN   6          2HB       ASN   6  -2.422   9.715   0.731
   46   2HB   ASN   6          1HB       ASN   6  -3.945  10.305  -0.035
   47   1HD2  ASN   6          1HD2      ASN   6  -2.332  12.129  -0.492
   48   2HD2  ASN   6          2HD2      ASN   6  -2.390  13.433   0.652
   49    H    ASP   7           H        ASP   7  -6.397   9.201   0.601
   50    HA   ASP   7           HA       ASP   7  -6.312   6.317   0.639
   51   1HB   ASP   7          2HB       ASP   7  -8.425   8.357  -0.159
   52   2HB   ASP   7          1HB       ASP   7  -8.628   6.588  -0.412
   53    H    CYS   8           H        CYS   8  -5.731   5.027  -0.882
   54    HA   CYS   8           HA       CYS   8  -4.651   6.027  -3.231
   55   1HB   CYS   8          2HB       CYS   8  -3.837   4.111  -1.868
   56   2HB   CYS   8          1HB       CYS   8  -5.145   3.105  -2.541
   57    HA   PRO   9           HA       PRO   9  -8.153   4.402  -5.757
   58   1HB   PRO   9          2HB       PRO   9 -10.431   4.837  -3.759
   59   2HB   PRO   9          1HB       PRO   9 -10.380   3.700  -5.166
   60   1HG   PRO   9          2HG       PRO   9  -9.930   2.747  -2.644
   61   2HG   PRO   9          1HG       PRO   9  -8.803   2.243  -3.979
   62   1HD   PRO   9          2HD       PRO   9  -8.374   4.490  -1.912
   63   2HD   PRO   9          1HD       PRO   9  -7.220   3.184  -2.445
   64    H    LEU  10           H        LEU  10  -8.578   6.950  -3.372
   65    HA   LEU  10           HA       LEU  10  -9.959   8.712  -5.095
   66   1HB   LEU  10          2HB       LEU  10 -10.070   8.760  -2.593
   67   2HB   LEU  10          1HB       LEU  10  -8.354   9.250  -2.536
   68    HG   LEU  10           HG       LEU  10  -8.961  11.366  -3.788
   69   1HD1  LEU  10          1HD1      LEU  10 -11.387  12.033  -3.881
   70   2HD1  LEU  10          2HD1      LEU  10 -11.858  10.371  -3.389
   71   3HD1  LEU  10          3HD1      LEU  10 -11.036  10.646  -4.971
   72   1HD2  LEU  10          1HD2      LEU  10 -10.056  12.468  -1.846
   73   2HD2  LEU  10          2HD2      LEU  10  -8.781  11.312  -1.302
   74   3HD2  LEU  10          3HD2      LEU  10 -10.523  10.861  -1.180
   75    H    SER  11           H        SER  11  -6.570   8.425  -4.082
   76    HA   SER  11           HA       SER  11  -5.700  10.517  -5.807
   77   1HB   SER  11          2HB       SER  11  -4.593   9.758  -3.628
   78   2HB   SER  11          1HB       SER  11  -3.950   8.368  -4.544
   79    HG   SER  11           HG       SER  11  -3.411  11.130  -4.768
   80    H    HIS  12           H        HIS  12  -3.854  10.063  -7.387
   81    HA   HIS  12           HA       HIS  12  -4.881   8.153  -9.307
   82   1HB   HIS  12          2HB       HIS  12  -4.187  10.576  -9.834
   83   2HB   HIS  12          1HB       HIS  12  -2.498  10.041  -9.654
   84    HD1  HIS  12           1HD      HIS  12  -1.709   9.929 -12.009
   85    HD2  HIS  12           2HD      HIS  12  -5.619   8.459 -11.725
   86    HE1  HIS  12           1HE      HIS  12  -2.383   9.155 -14.332
   87    HE2  HIS  12           2HE      HIS  12  -4.757   8.334 -14.120
   88    H    ASP  13           H        ASP  13  -4.159   6.079  -9.415
   89    HA   ASP  13           HA       ASP  13  -1.890   5.325  -7.939
   90   1HB   ASP  13          2HB       ASP  13  -2.558   3.000  -8.703
   91   2HB   ASP  13          1HB       ASP  13  -3.825   3.927  -7.840
   92    H    GLY  14           H        GLY  14  -0.277   3.830  -8.651
   93   1HA   GLY  14          2HA       GLY  14   0.349   3.602 -11.403
   94   2HA   GLY  14          1HA       GLY  14   1.432   4.753 -10.533
   95    H    TYR  15           H        TYR  15   2.145   3.824  -8.314
   96    HA   TYR  15           HA       TYR  15   3.700   1.600  -9.019
   97   1HB   TYR  15          2HB       TYR  15   4.485   3.605  -7.742
   98   2HB   TYR  15          1HB       TYR  15   3.473   3.094  -6.356
   99    HD1  TYR  15           1HD      TYR  15   5.765   1.152  -8.661
  100    HD2  TYR  15           2HD      TYR  15   4.969   2.565  -4.737
  101    HE1  TYR  15           1HE      TYR  15   7.620  -0.181  -7.812
  102    HE2  TYR  15           2HE      TYR  15   6.846   1.246  -3.878
  103    HH   TYR  15           HH       TYR  15   8.789   0.169  -4.562
  104    H    CYS  16           H        CYS  16   1.001   1.878  -6.620
  105    HA   CYS  16           HA       CYS  16   1.725  -0.778  -5.682
  106   1HB   CYS  16          2HB       CYS  16  -0.540   1.066  -4.812
  107   2HB   CYS  16          1HB       CYS  16  -0.032  -0.448  -4.001
  108    H    LEU  17           H        LEU  17   1.155  -2.359  -7.096
  109    HA   LEU  17           HA       LEU  17  -1.406  -2.217  -8.384
  110   1HB   LEU  17          2HB       LEU  17  -0.732  -3.851  -9.853
  111   2HB   LEU  17          1HB       LEU  17   0.633  -2.735  -9.649
  112    HG   LEU  17           HG       LEU  17   0.392  -5.501  -8.307
  113   1HD1  LEU  17          1HD1      LEU  17   2.030  -6.198 -10.081
  114   2HD1  LEU  17          2HD1      LEU  17   1.913  -4.555 -10.816
  115   3HD1  LEU  17          3HD1      LEU  17   0.462  -5.629 -10.771
  116   1HD2  LEU  17          1HD2      LEU  17   1.941  -4.075  -7.002
  117   2HD2  LEU  17          2HD2      LEU  17   2.782  -3.547  -8.517
  118   3HD2  LEU  17          3HD2      LEU  17   2.882  -5.259  -7.960
  119    H    HIS  18           H        HIS  18  -2.677  -4.164  -8.694
  120    HA   HIS  18           HA       HIS  18  -4.225  -5.404  -7.938
  121   1HB   HIS  18          2HB       HIS  18  -2.163  -6.932  -7.693
  122   2HB   HIS  18          1HB       HIS  18  -2.348  -6.708  -5.935
  123    HD1  HIS  18           1HD      HIS  18  -3.810  -8.326  -8.930
  124    HD2  HIS  18           2HD      HIS  18  -4.842  -7.921  -4.892
  125    HE1  HIS  18           1HE      HIS  18  -5.744  -9.896  -8.516
  126    HE2  HIS  18           2HE      HIS  18  -6.323  -9.655  -6.062
  127    H    ASP  19           H        ASP  19  -3.824  -2.882  -6.526
  128    HA   ASP  19           HA       ASP  19  -4.778  -1.687  -5.086
  129   1HB   ASP  19          2HB       ASP  19  -6.842  -3.119  -5.494
  130   2HB   ASP  19          1HB       ASP  19  -6.468  -3.945  -3.942
  131    H    GLY  20           H        GLY  20  -2.724  -1.382  -4.203
  132   1HA   GLY  20          2HA       GLY  20  -2.533  -2.402  -1.438
  133   2HA   GLY  20          1HA       GLY  20  -1.215  -1.699  -2.436
  134    H    VAL  21           H        VAL  21  -1.321  -0.547  -0.065
  135    HA   VAL  21           HA       VAL  21  -3.033   1.787  -0.265
  136    HB   VAL  21           HB       VAL  21  -1.198   0.715   1.868
  137   1HG1  VAL  21          1HG1      VAL  21  -0.983   3.205   1.950
  138   2HG1  VAL  21          2HG1      VAL  21  -2.052   2.634   3.271
  139   3HG1  VAL  21          3HG1      VAL  21  -2.774   3.384   1.805
  140   1HG2  VAL  21          1HG2      VAL  21  -3.477  -0.364   1.585
  141   2HG2  VAL  21          2HG2      VAL  21  -4.236   1.259   1.735
  142   3HG2  VAL  21          3HG2      VAL  21  -3.340   0.554   3.128
  143    H    CYS  22           H        CYS  22  -2.250   3.078  -1.900
  144    HA   CYS  22           HA       CYS  22   0.565   3.802  -1.778
  145   1HB   CYS  22          2HB       CYS  22   0.311   4.989  -3.789
  146   2HB   CYS  22          1HB       CYS  22  -0.388   3.369  -3.997
  147    H    MET  23           H        MET  23   1.332   5.720  -1.075
  148    HA   MET  23           HA       MET  23  -0.616   7.850  -0.558
  149   1HB   MET  23          2HB       MET  23   1.599   6.992   1.370
  150   2HB   MET  23          1HB       MET  23   0.580   8.455   1.543
  151   1HG   MET  23          2HG       MET  23  -1.457   6.949   1.657
  152   2HG   MET  23          1HG       MET  23  -0.369   5.533   1.662
  153   1HE   MET  23          1HE       MET  23   1.511   5.601   4.989
  154   2HE   MET  23          2HE       MET  23   2.130   6.257   3.445
  155   3HE   MET  23          3HE       MET  23   1.136   4.758   3.446
  156    H    TYR  24           H        TYR  24  -0.041   9.587  -1.702
  157    HA   TYR  24           HA       TYR  24   2.748  10.420  -1.432
  158   1HB   TYR  24          2HB       TYR  24   2.421   9.937  -3.845
  159   2HB   TYR  24          1HB       TYR  24   0.884  10.882  -3.845
  160    HD1  TYR  24           1HD      TYR  24   1.004  12.905  -4.732
  161    HD2  TYR  24           2HD      TYR  24   4.506  11.334  -2.905
  162    HE1  TYR  24           1HE      TYR  24   2.257  14.803  -5.542
  163    HE2  TYR  24           2HE      TYR  24   5.788  13.236  -3.711
  164    HH   TYR  24           HH       TYR  24   5.679  15.349  -4.755
  165    H    ILE  25           H        ILE  25   2.875  12.258  -0.264
  166    HA   ILE  25           HA       ILE  25   0.573  14.060  -0.268
  167    HB   ILE  25           HB       ILE  25   1.844  14.877   1.902
  168   1HG1  ILE  25          2HG1      ILE  25   3.470  12.859   1.779
  169   2HG1  ILE  25          1HG1      ILE  25   2.697  13.328   3.316
  170   1HG2  ILE  25          1HG2      ILE  25   0.050  13.780   3.199
  171   2HG2  ILE  25          2HG2      ILE  25  -0.311  12.707   1.799
  172   3HG2  ILE  25          3HG2      ILE  25  -0.558  14.488   1.658
  173   1HD1  ILE  25          1HD1      ILE  25   1.117  11.472   3.245
  174   2HD1  ILE  25          2HD1      ILE  25   2.782  10.854   3.044
  175   3HD1  ILE  25          3HD1      ILE  25   1.692  10.963   1.618
  176    H    GLU  26           H        GLU  26   1.076  15.747  -1.504
  177    HA   GLU  26           HA       GLU  26   3.659  16.129  -2.485
  178   1HB   GLU  26          2HB       GLU  26   2.556  18.312  -3.397
  179   2HB   GLU  26          1HB       GLU  26   2.062  16.720  -3.998
  180   1HG   GLU  26          2HG       GLU  26   0.122  18.226  -3.643
  181   2HG   GLU  26          1HG       GLU  26   0.003  16.709  -2.707
  182    H    ALA  27           H        ALA  27   2.010  17.583   0.234
  183    HA   ALA  27           HA       ALA  27   3.731  19.622   0.827
  184   1HB   ALA  27          1HB       ALA  27   3.033  19.219   3.210
  185   2HB   ALA  27          2HB       ALA  27   2.426  17.591   2.736
  186   3HB   ALA  27          3HB       ALA  27   1.635  19.072   2.081
  187    H    LEU  28           H        LEU  28   4.212  16.169   1.517
  188    HA   LEU  28           HA       LEU  28   6.739  16.745   2.830
  189   1HB   LEU  28          2HB       LEU  28   5.396  14.060   2.199
  190   2HB   LEU  28          1HB       LEU  28   6.865  14.312   3.197
  191    HG   LEU  28           HG       LEU  28   3.999  15.141   3.861
  192   1HD1  LEU  28          1HD1      LEU  28   6.046  13.338   5.304
  193   2HD1  LEU  28          2HD1      LEU  28   4.679  12.740   4.286
  194   3HD1  LEU  28          3HD1      LEU  28   4.344  13.647   5.805
  195   1HD2  LEU  28          1HD2      LEU  28   5.281  17.022   4.638
  196   2HD2  LEU  28          2HD2      LEU  28   6.639  15.960   5.213
  197   3HD2  LEU  28          3HD2      LEU  28   5.054  15.926   6.065
  198    H    ASP  29           H        ASP  29   5.445  15.275  -0.088
  199    HA   ASP  29           HA       ASP  29   6.161  14.862  -2.025
  200   1HB   ASP  29          2HB       ASP  29   7.221  17.093  -1.809
  201   2HB   ASP  29          1HB       ASP  29   8.771  16.286  -1.391
  202    H    LYS  30           H        LYS  30   6.499  12.921   0.125
  203    HA   LYS  30           HA       LYS  30   8.450  11.221  -1.255
  204   1HB   LYS  30          2HB       LYS  30   9.027  10.171   0.776
  205   2HB   LYS  30          1HB       LYS  30   9.202  11.937   0.930
  206   1HG   LYS  30          2HG       LYS  30   8.334  11.379   2.980
  207   2HG   LYS  30          1HG       LYS  30   6.871  11.917   2.098
  208   1HD   LYS  30          2HD       LYS  30   6.419   9.499   1.550
  209   2HD   LYS  30          1HD       LYS  30   7.820   9.004   2.541
  210   1HE   LYS  30          2HE       LYS  30   6.725   9.754   4.623
  211   2HE   LYS  30          1HE       LYS  30   5.441  10.617   3.686
  212   1HZ   LYS  30          1HZ       LYS  30   5.843   7.664   3.815
  213   2HZ   LYS  30          2HZ       LYS  30   4.744   8.484   2.795
  214   3HZ   LYS  30          3HZ       LYS  30   4.584   8.559   4.467
  215    H    TYR  31           H        TYR  31   8.012   9.088  -1.561
  216    HA   TYR  31           HA       TYR  31   5.140   8.594  -1.905
  217   1HB   TYR  31          2HB       TYR  31   7.667   7.964  -3.481
  218   2HB   TYR  31          1HB       TYR  31   6.379   6.723  -3.512
  219    HD1  TYR  31           1HD      TYR  31   7.215  10.156  -4.462
  220    HD2  TYR  31           2HD      TYR  31   4.242   7.141  -4.373
  221    HE1  TYR  31           1HE      TYR  31   5.949  11.371  -6.176
  222    HE2  TYR  31           2HE      TYR  31   2.951   8.353  -6.099
  223    HH   TYR  31           HH       TYR  31   4.055  11.485  -7.348
  224    H    ALA  32           H        ALA  32   4.153   6.879  -1.006
  225    HA   ALA  32           HA       ALA  32   5.893   4.760   0.007
  226   1HB   ALA  32          1HB       ALA  32   3.508   6.040   1.477
  227   2HB   ALA  32          2HB       ALA  32   5.241   6.206   1.936
  228   3HB   ALA  32          3HB       ALA  32   4.428   4.601   2.050
  229    H    CYS  33           H        CYS  33   5.323   2.778  -0.377
  230    HA   CYS  33           HA       CYS  33   2.525   2.212  -1.045
  231   1HB   CYS  33          2HB       CYS  33   4.377   1.722  -2.820
  232   2HB   CYS  33          1HB       CYS  33   4.918   0.418  -1.743
  233    H    ASN  34           H        ASN  34   1.491   1.116   0.523
  234    HA   ASN  34           HA       ASN  34   3.131  -0.283   2.537
  235   1HB   ASN  34          2HB       ASN  34   0.706   1.544   2.692
  236   2HB   ASN  34          1HB       ASN  34   0.896   0.254   3.932
  237   1HD2  ASN  34          1HD2      ASN  34   1.775   1.046   5.750
  238   2HD2  ASN  34          2HD2      ASN  34   3.059   2.232   5.820
  239    H    CYS  35           H        CYS  35   2.706  -2.280   3.087
  240    HA   CYS  35           HA       CYS  35   0.726  -3.676   1.474
  241   1HB   CYS  35          2HB       CYS  35   3.001  -4.819   3.164
  242   2HB   CYS  35          1HB       CYS  35   2.002  -5.706   1.991
  243    H    VAL  36           H        VAL  36  -0.397  -5.481   2.325
  244    HA   VAL  36           HA       VAL  36  -1.476  -5.174   4.933
  245    HB   VAL  36           HB       VAL  36  -1.790  -7.379   2.874
  246   1HG1  VAL  36          1HG1      VAL  36  -3.572  -6.499   5.243
  247   2HG1  VAL  36          2HG1      VAL  36  -2.798  -8.122   4.981
  248   3HG1  VAL  36          3HG1      VAL  36  -4.107  -7.568   3.903
  249   1HG2  VAL  36          1HG2      VAL  36  -3.850  -6.096   2.174
  250   2HG2  VAL  36          2HG2      VAL  36  -2.348  -5.214   1.783
  251   3HG2  VAL  36          3HG2      VAL  36  -3.334  -4.729   3.212
  252    H    VAL  37           H        VAL  37  -1.527  -7.105   6.430
  253    HA   VAL  37           HA       VAL  37   1.077  -8.207   6.771
  254    HB   VAL  37           HB       VAL  37  -0.128  -7.461   8.667
  255   1HG1  VAL  37          1HG1      VAL  37  -2.195  -9.672   8.045
  256   2HG1  VAL  37          2HG1      VAL  37  -2.482  -7.893   7.935
  257   3HG1  VAL  37          3HG1      VAL  37  -2.122  -8.656   9.519
  258   1HG2  VAL  37          1HG2      VAL  37   0.236  -9.422  10.100
  259   2HG2  VAL  37          2HG2      VAL  37   1.540  -9.336   8.863
  260   3HG2  VAL  37          3HG2      VAL  37   0.199 -10.533   8.689
  261    H    GLY  38           H        GLY  38   1.814 -10.172   6.237
  262   1HA   GLY  38          2HA       GLY  38   1.788 -12.227   5.358
  263   2HA   GLY  38          1HA       GLY  38   0.011 -12.159   5.140
  264    H    TYR  39           H        TYR  39   1.929  -9.521   3.918
  265    HA   TYR  39           HA       TYR  39   2.095 -10.717   1.282
  266   1HB   TYR  39          2HB       TYR  39   0.723  -8.068   2.019
  267   2HB   TYR  39          1HB       TYR  39   1.434  -8.322   0.386
  268    HD1  TYR  39           1HD      TYR  39  -1.178  -9.499   2.724
  269    HD2  TYR  39           2HD      TYR  39   0.476  -9.772  -1.176
  270    HE1  TYR  39           1HE      TYR  39  -3.202 -10.643   1.950
  271    HE2  TYR  39           2HE      TYR  39  -1.532 -10.909  -1.960
  272    HH   TYR  39           HH       TYR  39  -3.430 -11.912  -1.347
  273    H    ILE  40           H        ILE  40   4.047 -10.297   0.363
  274    HA   ILE  40           HA       ILE  40   5.673  -8.158   1.523
  275    HB   ILE  40           HB       ILE  40   7.667  -9.586   1.354
  276   1HG1  ILE  40          2HG1      ILE  40   5.612 -11.819   0.880
  277   2HG1  ILE  40          1HG1      ILE  40   6.816 -11.213  -0.299
  278   1HG2  ILE  40          1HG2      ILE  40   5.477 -10.581   3.259
  279   2HG2  ILE  40          2HG2      ILE  40   6.466  -9.089   3.473
  280   3HG2  ILE  40          3HG2      ILE  40   7.260 -10.702   3.481
  281   1HD1  ILE  40          1HD1      ILE  40   8.677 -11.921   1.271
  282   2HD1  ILE  40          2HD1      ILE  40   7.654 -13.287   0.687
  283   3HD1  ILE  40          3HD1      ILE  40   7.432 -12.654   2.356
  284    H    GLY  41           H        GLY  41   7.710  -7.872   0.281
  285   1HA   GLY  41          2HA       GLY  41   8.717  -7.413  -1.728
  286   2HA   GLY  41          1HA       GLY  41   7.161  -7.686  -2.596
  287    H    GLU  42           H        GLU  42   8.917  -5.224  -2.636
  288    HA   GLU  42           HA       GLU  42   7.830  -3.278  -0.967
  289   1HB   GLU  42          2HB       GLU  42   9.061  -3.033  -3.758
  290   2HB   GLU  42          1HB       GLU  42   8.740  -1.653  -2.674
  291   1HG   GLU  42          2HG       GLU  42  10.719  -3.965  -2.220
  292   2HG   GLU  42          1HG       GLU  42  11.101  -2.244  -2.568
  293    H    ARG  43           H        ARG  43   6.919  -4.366  -4.160
  294    HA   ARG  43           HA       ARG  43   4.740  -2.539  -4.437
  295   1HB   ARG  43          2HB       ARG  43   4.522  -3.661  -6.626
  296   2HB   ARG  43          1HB       ARG  43   6.200  -3.176  -6.279
  297   1HG   ARG  43          2HG       ARG  43   6.649  -5.632  -5.513
  298   2HG   ARG  43          1HG       ARG  43   5.012  -5.988  -6.130
  299   1HD   ARG  43          2HD       ARG  43   6.430  -6.597  -7.910
  300   2HD   ARG  43          1HD       ARG  43   5.839  -4.958  -8.402
  301    HE   ARG  43           HE       ARG  43   8.190  -4.361  -7.041
  302   1HH1  ARG  43          1HH1      ARG  43   7.347  -6.154  -9.971
  303   2HH1  ARG  43          2HH1      ARG  43   8.965  -6.178 -10.572
  304   1HH2  ARG  43          1HH2      ARG  43  10.387  -4.793  -7.655
  305   2HH2  ARG  43          2HH2      ARG  43  10.712  -5.242  -9.280
  306    H    CYS  44           H        CYS  44   4.908  -5.074  -2.448
  307    HA   CYS  44           HA       CYS  44   3.543  -6.396  -1.460
  308   1HB   CYS  44          2HB       CYS  44   1.328  -4.502  -2.309
  309   2HB   CYS  44          1HB       CYS  44   1.366  -5.537  -0.854
  310    H    GLN  45           H        GLN  45   3.933  -7.959  -3.468
  311    HA   GLN  45           HA       GLN  45   1.248  -8.666  -4.491
  312   1HB   GLN  45          2HB       GLN  45   3.933  -8.648  -5.781
  313   2HB   GLN  45          1HB       GLN  45   2.860 -10.017  -6.179
  314   1HG   GLN  45          2HG       GLN  45   1.002  -8.465  -6.775
  315   2HG   GLN  45          1HG       GLN  45   2.073  -7.058  -6.469
  316   1HE2  GLN  45          1HE2      GLN  45   4.474  -7.780  -7.705
  317   2HE2  GLN  45          2HE2      GLN  45   4.115  -7.707  -9.404
  318    H    TYR  46           H        TYR  46   4.113 -10.066  -2.833
  319    HA   TYR  46           HA       TYR  46   3.073 -12.678  -3.465
  320   1HB   TYR  46          2HB       TYR  46   5.522 -11.773  -1.854
  321   2HB   TYR  46          1HB       TYR  46   5.163 -13.480  -2.327
  322    HD1  TYR  46           1HD      TYR  46   4.980 -14.023  -4.753
  323    HD2  TYR  46           2HD      TYR  46   6.539 -10.315  -3.385
  324    HE1  TYR  46           1HE      TYR  46   6.136 -13.733  -6.884
  325    HE2  TYR  46           2HE      TYR  46   7.715 -10.012  -5.480
  326    HH   TYR  46           HH       TYR  46   7.548 -12.505  -8.066
  327    H    ARG  47           H        ARG  47   1.801 -13.907  -2.197
  328    HA   ARG  47           HA       ARG  47   1.255 -12.890   0.482
  329   1HB   ARG  47          2HB       ARG  47  -0.570 -13.387  -1.197
  330   2HB   ARG  47          1HB       ARG  47  -0.132 -15.113  -1.099
  331   1HG   ARG  47          2HG       ARG  47  -0.652 -15.017   1.418
  332   2HG   ARG  47          1HG       ARG  47  -1.103 -13.302   1.191
  333   1HD   ARG  47          2HD       ARG  47  -3.140 -14.570   1.272
  334   2HD   ARG  47          1HD       ARG  47  -2.941 -14.080  -0.442
  335    HE   ARG  47           HE       ARG  47  -2.505 -16.835   0.749
  336   1HH1  ARG  47          1HH1      ARG  47  -2.889 -14.905  -2.254
  337   2HH1  ARG  47          2HH1      ARG  47  -3.447 -16.270  -3.124
  338   1HH2  ARG  47          1HH2      ARG  47  -3.016 -18.544  -0.433
  339   2HH2  ARG  47          2HH2      ARG  47  -3.333 -18.456  -2.137
  340    H    ASP  48           H        ASP  48   1.581 -14.084   2.340
  341    HA   ASP  48           HA       ASP  48   3.347 -16.352   2.150
  342   1HB   ASP  48          2HB       ASP  48   2.205 -14.672   4.411
  343   2HB   ASP  48          1HB       ASP  48   2.826 -16.313   4.796
  344    H    LEU  49           H        LEU  49   2.845 -18.367   1.887
  345    HA   LEU  49           HA       LEU  49   0.168 -19.284   2.450
  346   1HB   LEU  49          2HB       LEU  49   2.604 -20.481   1.074
  347   2HB   LEU  49          1HB       LEU  49   1.205 -21.475   1.556
  348    HG   LEU  49           HG       LEU  49  -0.323 -20.020   0.230
  349   1HD1  LEU  49          1HD1      LEU  49   0.666 -18.710  -1.682
  350   2HD1  LEU  49          2HD1      LEU  49   2.295 -18.856  -0.922
  351   3HD1  LEU  49          3HD1      LEU  49   0.981 -17.937  -0.090
  352   1HD2  LEU  49          1HD2      LEU  49   0.301 -21.103  -1.925
  353   2HD2  LEU  49          2HD2      LEU  49   0.504 -22.238  -0.539
  354   3HD2  LEU  49          3HD2      LEU  49   1.947 -21.452  -1.284
  355    H    LYS  50           H        LYS  50   2.901 -18.867   4.329
  356    HA   LYS  50           HA       LYS  50   3.574 -21.324   5.092
  357   1HB   LYS  50          2HB       LYS  50   3.772 -18.742   6.711
  358   2HB   LYS  50          1HB       LYS  50   4.506 -20.282   7.216
  359   1HG   LYS  50          2HG       LYS  50   6.302 -19.528   6.298
  360   2HG   LYS  50          1HG       LYS  50   5.661 -20.226   4.794
  361   1HD   LYS  50          2HD       LYS  50   5.026 -18.015   3.983
  362   2HD   LYS  50          1HD       LYS  50   5.105 -17.331   5.649
  363   1HE   LYS  50          2HE       LYS  50   7.594 -17.714   5.694
  364   2HE   LYS  50          1HE       LYS  50   7.540 -18.205   3.962
  365   1HZ   LYS  50          1HZ       LYS  50   7.994 -15.750   4.742
  366   2HZ   LYS  50          2HZ       LYS  50   6.307 -15.621   4.670
  367   3HZ   LYS  50          3HZ       LYS  50   7.184 -16.076   3.314
  368    H    TRP  51           H        TRP  51   1.347 -19.315   7.058
  369    HA   TRP  51           HA       TRP  51   1.085 -21.429   8.959
  370   1HB   TRP  51          2HB       TRP  51  -0.524 -19.922  10.070
  371   2HB   TRP  51          1HB       TRP  51   1.064 -19.161   9.726
  372    HD1  TRP  51           HD       TRP  51  -2.661 -18.956   8.523
  373    HE1  TRP  51           1HE      TRP  51  -2.956 -16.667   7.404
  374    HE3  TRP  51           3HE      TRP  51   2.178 -17.417   8.581
  375    HZ2  TRP  51           2HZ      TRP  51  -1.372 -14.396   6.870
  376    HZ3  TRP  51           3HZ      TRP  51   2.718 -15.181   7.744
  377    HH2  TRP  51           HH       TRP  51   0.988 -13.688   6.934
  378    H    TRP  52           H        TRP  52  -0.506 -20.650   6.095
  379    HA   TRP  52           HA       TRP  52  -3.008 -21.925   6.683
  380   1HB   TRP  52          2HB       TRP  52  -1.785 -21.320   3.941
  381   2HB   TRP  52          1HB       TRP  52  -3.514 -21.640   4.301
  382    HD1  TRP  52           HD       TRP  52  -0.865 -18.839   4.411
  383    HE1  TRP  52           1HE      TRP  52  -2.086 -16.613   4.634
  384    HE3  TRP  52           3HE      TRP  52  -5.466 -20.620   5.594
  385    HZ2  TRP  52           2HZ      TRP  52  -4.721 -15.728   5.213
  386    HZ3  TRP  52           3HZ      TRP  52  -7.266 -19.027   6.051
  387    HH2  TRP  52           HH       TRP  52  -6.908 -16.628   5.859
  388    H    GLU  53           H        GLU  53   0.027 -22.830   5.136
  389    HA   GLU  53           HA       GLU  53  -0.896 -25.405   4.317
  390   1HB   GLU  53          2HB       GLU  53   0.614 -23.865   3.043
  391   2HB   GLU  53          1HB       GLU  53   1.850 -24.061   4.299
  392   1HG   GLU  53          2HG       GLU  53   2.323 -25.383   2.259
  393   2HG   GLU  53          1HG       GLU  53   2.141 -26.465   3.668
  394    H    LEU  54           H        LEU  54  -1.438 -25.496   6.893
  395    HA   LEU  54           HA       LEU  54   0.629 -27.230   8.027
  396   1HB   LEU  54          2HB       LEU  54  -0.921 -25.011   9.451
  397   2HB   LEU  54          1HB       LEU  54   0.068 -26.247  10.286
  398    HG   LEU  54           HG       LEU  54   1.137 -24.152   8.321
  399   1HD1  LEU  54          1HD1      LEU  54   2.081 -23.054  10.342
  400   2HD1  LEU  54          2HD1      LEU  54   1.313 -24.312  11.400
  401   3HD1  LEU  54          3HD1      LEU  54   0.291 -23.177  10.445
  402   1HD2  LEU  54          1HD2      LEU  54   3.399 -24.840   9.169
  403   2HD2  LEU  54          2HD2      LEU  54   2.585 -26.179   8.304
  404   3HD2  LEU  54          3HD2      LEU  54   2.634 -26.183  10.110
  Start of MODEL   15
    1   1H    VAL   1          1HT       VAL   1   6.330  20.145   8.422
    2   2H    VAL   1          2HT       VAL   1   5.619  19.547   7.067
    3   3H    VAL   1          3HT       VAL   1   6.274  18.497   8.178
    4    HA   VAL   1           HA       VAL   1   4.640  19.171   9.832
    5    HB   VAL   1           HB       VAL   1   4.540  21.489   9.030
    6   1HG1  VAL   1          1HG1      VAL   1   4.237  21.131   6.569
    7   2HG1  VAL   1          2HG1      VAL   1   2.917  22.119   7.262
    8   3HG1  VAL   1          3HG1      VAL   1   2.606  20.404   6.866
    9   1HG2  VAL   1          1HG2      VAL   1   1.722  20.279   9.300
   10   2HG2  VAL   1          2HG2      VAL   1   2.252  21.962   9.617
   11   3HG2  VAL   1          3HG2      VAL   1   2.840  20.637  10.679
   12    H    VAL   2           H        VAL   2   2.557  18.034  10.115
   13    HA   VAL   2           HA       VAL   2   1.454  16.994   7.650
   14    HB   VAL   2           HB       VAL   2   2.747  15.188   8.623
   15   1HG1  VAL   2          1HG1      VAL   2   0.898  15.457  11.084
   16   2HG1  VAL   2          2HG1      VAL   2   2.662  15.846  11.040
   17   3HG1  VAL   2          3HG1      VAL   2   2.098  14.162  10.770
   18   1HG2  VAL   2          1HG2      VAL   2   0.949  13.515   8.575
   19   2HG2  VAL   2          2HG2      VAL   2   0.643  14.768   7.318
   20   3HG2  VAL   2          3HG2      VAL   2  -0.302  14.771   8.858
   21    H    SER   3           H        SER   3  -0.714  17.269   7.506
   22    HA   SER   3           HA       SER   3  -2.068  18.216   9.942
   23   1HB   SER   3          2HB       SER   3  -1.319  20.106   8.439
   24   2HB   SER   3          1HB       SER   3  -2.420  19.471   7.177
   25    HG   SER   3           HG       SER   3  -3.227  21.134   8.679
   26    H    HIS   4           H        HIS   4  -2.565  16.961   6.604
   27    HA   HIS   4           HA       HIS   4  -4.891  15.526   7.689
   28   1HB   HIS   4          2HB       HIS   4  -6.009  15.710   5.492
   29   2HB   HIS   4          1HB       HIS   4  -5.780  17.296   6.276
   30    HD1  HIS   4           1HD      HIS   4  -4.474  19.045   4.994
   31    HD2  HIS   4           2HD      HIS   4  -4.053  15.224   3.315
   32    HE1  HIS   4           1HE      HIS   4  -3.226  19.337   2.843
   33    HE2  HIS   4           2HE      HIS   4  -2.925  17.049   1.863
   34    H    PHE   5           H        PHE   5  -5.153  13.421   7.095
   35    HA   PHE   5           HA       PHE   5  -2.781  12.155   6.054
   36   1HB   PHE   5          2HB       PHE   5  -3.947  11.566   8.266
   37   2HB   PHE   5          1HB       PHE   5  -5.330  10.965   7.312
   38    HD1  PHE   5           1HD      PHE   5  -1.825  10.442   8.259
   39    HD2  PHE   5           2HD      PHE   5  -5.129   8.892   6.084
   40    HE1  PHE   5           1HE      PHE   5  -0.719   8.258   8.136
   41    HE2  PHE   5           2HE      PHE   5  -4.029   6.712   5.961
   42    HZ   PHE   5           HZ       PHE   5  -1.822   6.388   6.991
   43    H    ASN   6           H        ASN   6  -2.718  11.046   4.113
   44    HA   ASN   6           HA       ASN   6  -5.090  11.396   2.415
   45   1HB   ASN   6          2HB       ASN   6  -2.123  11.081   1.699
   46   2HB   ASN   6          1HB       ASN   6  -3.467  11.204   0.503
   47   1HD2  ASN   6          1HD2      ASN   6  -1.164  13.011   0.864
   48   2HD2  ASN   6          2HD2      ASN   6  -1.858  14.580   1.154
   49    H    ASP   7           H        ASP   7  -5.944   9.791   1.240
   50    HA   ASP   7           HA       ASP   7  -4.745   7.136   1.435
   51   1HB   ASP   7          2HB       ASP   7  -6.980   6.295   0.614
   52   2HB   ASP   7          1HB       ASP   7  -6.957   7.007   2.248
   53    H    CYS   8           H        CYS   8  -5.486   5.898  -0.755
   54    HA   CYS   8           HA       CYS   8  -3.606   7.029  -2.522
   55   1HB   CYS   8          2HB       CYS   8  -3.930   4.610  -1.781
   56   2HB   CYS   8          1HB       CYS   8  -5.329   4.519  -2.869
   57    HA   PRO   9           HA       PRO   9  -6.445   9.451  -4.210
   58   1HB   PRO   9          2HB       PRO   9  -5.337  10.493  -6.519
   59   2HB   PRO   9          1HB       PRO   9  -4.514  10.597  -4.922
   60   1HG   PRO   9          2HG       PRO   9  -4.086   8.434  -7.066
   61   2HG   PRO   9          1HG       PRO   9  -2.822   9.496  -6.300
   62   1HD   PRO   9          2HD       PRO   9  -3.424   6.966  -5.353
   63   2HD   PRO   9          1HD       PRO   9  -3.030   8.326  -4.187
   64    H    LEU  10           H        LEU  10  -7.803  10.305  -5.945
   65    HA   LEU  10           HA       LEU  10  -9.424   8.374  -7.095
   66   1HB   LEU  10          2HB       LEU  10 -10.094  10.628  -6.291
   67   2HB   LEU  10          1HB       LEU  10  -9.102  11.390  -7.562
   68    HG   LEU  10           HG       LEU  10 -10.609  10.425  -9.314
   69   1HD1  LEU  10          1HD1      LEU  10 -12.282   9.426  -6.917
   70   2HD1  LEU  10          2HD1      LEU  10 -11.465   8.390  -8.147
   71   3HD1  LEU  10          3HD1      LEU  10 -12.826   9.462  -8.635
   72   1HD2  LEU  10          1HD2      LEU  10 -12.069  12.009  -7.108
   73   2HD2  LEU  10          2HD2      LEU  10 -12.513  11.939  -8.855
   74   3HD2  LEU  10          3HD2      LEU  10 -10.964  12.712  -8.347
   75    H    SER  11           H        SER  11  -6.752  10.228  -8.465
   76    HA   SER  11           HA       SER  11  -7.269   9.185 -11.115
   77   1HB   SER  11          2HB       SER  11  -5.384  10.519 -11.888
   78   2HB   SER  11          1HB       SER  11  -6.537  11.513 -10.950
   79    HG   SER  11           HG       SER  11  -4.143  11.596 -10.578
   80    H    HIS  12           H        HIS  12  -5.191   8.414 -12.248
   81    HA   HIS  12           HA       HIS  12  -4.868   5.997 -12.135
   82   1HB   HIS  12          2HB       HIS  12  -3.613   7.538 -13.578
   83   2HB   HIS  12          1HB       HIS  12  -2.458   7.868 -12.264
   84    HD1  HIS  12           1HD      HIS  12  -0.569   6.146 -11.977
   85    HD2  HIS  12           2HD      HIS  12  -3.405   4.973 -14.840
   86    HE1  HIS  12           1HE      HIS  12   0.387   4.148 -13.177
   87    HE2  HIS  12           2HE      HIS  12  -1.373   3.485 -14.922
   88    H    ASP  13           H        ASP  13  -4.739   4.352 -10.801
   89    HA   ASP  13           HA       ASP  13  -2.477   4.266  -8.982
   90   1HB   ASP  13          2HB       ASP  13  -3.783   3.261  -7.237
   91   2HB   ASP  13          1HB       ASP  13  -4.606   4.775  -7.733
   92    H    GLY  14           H        GLY  14  -1.811   2.031  -8.449
   93   1HA   GLY  14          2HA       GLY  14  -2.524  -0.229  -8.806
   94   2HA   GLY  14          1HA       GLY  14  -2.607   0.124 -10.560
   95    H    TYR  15           H        TYR  15   0.002   1.217  -8.431
   96    HA   TYR  15           HA       TYR  15   1.918  -0.356  -9.900
   97   1HB   TYR  15          2HB       TYR  15   2.560   1.922  -9.247
   98   2HB   TYR  15          1HB       TYR  15   2.104   1.600  -7.548
   99    HD1  TYR  15           1HD      TYR  15   3.850   1.276  -6.144
  100    HD2  TYR  15           2HD      TYR  15   4.290   0.021 -10.177
  101    HE1  TYR  15           1HE      TYR  15   6.084   0.432  -5.629
  102    HE2  TYR  15           2HE      TYR  15   6.527  -0.827  -9.670
  103    HH   TYR  15           HH       TYR  15   7.822  -0.819  -6.376
  104    H    CYS  16           H        CYS  16   0.467  -0.198  -6.648
  105    HA   CYS  16           HA       CYS  16   2.070  -2.399  -5.750
  106   1HB   CYS  16          2HB       CYS  16  -0.222  -1.050  -4.257
  107   2HB   CYS  16          1HB       CYS  16   1.191  -1.910  -3.565
  108    H    LEU  17           H        LEU  17   1.479  -4.534  -5.760
  109    HA   LEU  17           HA       LEU  17  -1.114  -5.156  -6.793
  110   1HB   LEU  17          2HB       LEU  17   1.310  -6.797  -6.005
  111   2HB   LEU  17          1HB       LEU  17  -0.224  -7.565  -6.505
  112    HG   LEU  17           HG       LEU  17   1.297  -7.595  -8.316
  113   1HD1  LEU  17          1HD1      LEU  17  -0.037  -6.602 -10.116
  114   2HD1  LEU  17          2HD1      LEU  17  -0.885  -5.517  -8.961
  115   3HD1  LEU  17          3HD1      LEU  17  -1.124  -7.305  -8.863
  116   1HD2  LEU  17          1HD2      LEU  17   1.388  -4.530  -8.424
  117   2HD2  LEU  17          2HD2      LEU  17   2.269  -5.702  -9.463
  118   3HD2  LEU  17          3HD2      LEU  17   2.694  -5.551  -7.713
  119    H    HIS  18           H        HIS  18  -2.383  -6.949  -5.839
  120    HA   HIS  18           HA       HIS  18  -4.030  -7.182  -4.478
  121   1HB   HIS  18          2HB       HIS  18  -1.835  -7.498  -2.385
  122   2HB   HIS  18          1HB       HIS  18  -3.533  -8.072  -2.210
  123    HD1  HIS  18           1HD      HIS  18  -4.287  -9.966  -3.933
  124    HD2  HIS  18           2HD      HIS  18  -0.176  -9.122  -3.981
  125    HE1  HIS  18           1HE      HIS  18  -3.167 -11.840  -5.190
  126    HE2  HIS  18           2HE      HIS  18  -0.708 -11.327  -5.189
  127    H    ASP  19           H        ASP  19  -4.033  -4.707  -5.039
  128    HA   ASP  19           HA       ASP  19  -4.358  -2.645  -4.517
  129   1HB   ASP  19          2HB       ASP  19  -6.495  -4.011  -4.423
  130   2HB   ASP  19          1HB       ASP  19  -6.449  -3.839  -2.635
  131    H    GLY  20           H        GLY  20  -2.249  -2.336  -3.586
  132   1HA   GLY  20          2HA       GLY  20  -2.097  -2.075  -0.734
  133   2HA   GLY  20          1HA       GLY  20  -0.873  -1.606  -1.966
  134    H    VAL  21           H        VAL  21  -2.066  -0.230   0.515
  135    HA   VAL  21           HA       VAL  21  -3.514   1.963  -0.644
  136    HB   VAL  21           HB       VAL  21  -2.628   1.650   2.224
  137   1HG1  VAL  21          1HG1      VAL  21  -4.805   3.334   0.791
  138   2HG1  VAL  21          2HG1      VAL  21  -3.287   3.993   1.511
  139   3HG1  VAL  21          3HG1      VAL  21  -4.538   3.254   2.566
  140   1HG2  VAL  21          1HG2      VAL  21  -4.997   0.838   2.551
  141   2HG2  VAL  21          2HG2      VAL  21  -4.016  -0.318   1.595
  142   3HG2  VAL  21          3HG2      VAL  21  -5.203   0.756   0.766
  143    H    CYS  22           H        CYS  22  -2.325   3.369  -1.826
  144    HA   CYS  22           HA       CYS  22   0.337   4.028  -0.969
  145   1HB   CYS  22          2HB       CYS  22   0.658   5.109  -2.989
  146   2HB   CYS  22          1HB       CYS  22  -0.251   3.627  -3.357
  147    H    MET  23           H        MET  23   1.149   6.070  -0.432
  148    HA   MET  23           HA       MET  23  -0.725   8.225  -0.141
  149   1HB   MET  23          2HB       MET  23   0.002   8.570   2.326
  150   2HB   MET  23          1HB       MET  23  -1.287   7.411   1.925
  151   1HG   MET  23          2HG       MET  23   0.184   5.495   2.131
  152   2HG   MET  23          1HG       MET  23   1.615   6.538   2.342
  153   1HE   MET  23          1HE       MET  23   0.623   4.057   4.061
  154   2HE   MET  23          2HE       MET  23   1.155   4.622   5.682
  155   3HE   MET  23          3HE       MET  23   2.175   4.948   4.240
  156    H    TYR  24           H        TYR  24   0.244   9.672  -1.269
  157    HA   TYR  24           HA       TYR  24   2.985  10.442  -0.700
  158   1HB   TYR  24          2HB       TYR  24   2.280  10.439  -3.082
  159   2HB   TYR  24          1HB       TYR  24   0.815  11.387  -2.659
  160    HD1  TYR  24           1HD      TYR  24   4.451  11.984  -1.774
  161    HD2  TYR  24           2HD      TYR  24   0.922  13.216  -3.809
  162    HE1  TYR  24           1HE      TYR  24   5.537  14.063  -2.388
  163    HE2  TYR  24           2HE      TYR  24   1.992  15.285  -4.447
  164    HH   TYR  24           HH       TYR  24   5.241  16.148  -3.277
  165    H    ILE  25           H        ILE  25   3.478  12.110   0.729
  166    HA   ILE  25           HA       ILE  25   1.289  13.911   1.429
  167    HB   ILE  25           HB       ILE  25   3.593  13.040   3.203
  168   1HG1  ILE  25          2HG1      ILE  25   1.420  12.215   4.537
  169   2HG1  ILE  25          1HG1      ILE  25   0.763  11.973   2.898
  170   1HG2  ILE  25          1HG2      ILE  25   1.050  14.762   3.552
  171   2HG2  ILE  25          2HG2      ILE  25   2.762  15.359   3.541
  172   3HG2  ILE  25          3HG2      ILE  25   2.186  14.305   4.885
  173   1HD1  ILE  25          1HD1      ILE  25   3.344  10.725   4.093
  174   2HD1  ILE  25          2HD1      ILE  25   2.844  10.523   2.382
  175   3HD1  ILE  25          3HD1      ILE  25   1.812   9.863   3.685
  176    H    GLU  26           H        GLU  26   1.714  15.614   0.136
  177    HA   GLU  26           HA       GLU  26   4.041  16.326  -0.936
  178   1HB   GLU  26          2HB       GLU  26   3.019  18.503  -1.425
  179   2HB   GLU  26          1HB       GLU  26   1.874  17.160  -1.654
  180   1HG   GLU  26          2HG       GLU  26   0.833  17.674   0.596
  181   2HG   GLU  26          1HG       GLU  26   1.948  19.073   0.785
  182    H    ALA  27           H        ALA  27   2.879  17.480   2.184
  183    HA   ALA  27           HA       ALA  27   4.765  19.455   2.616
  184   1HB   ALA  27          1HB       ALA  27   3.259  17.666   4.635
  185   2HB   ALA  27          2HB       ALA  27   2.582  19.149   3.863
  186   3HB   ALA  27          3HB       ALA  27   3.977  19.268   4.990
  187    H    LEU  28           H        LEU  28   4.843  15.996   3.373
  188    HA   LEU  28           HA       LEU  28   7.279  16.270   4.879
  189   1HB   LEU  28          2HB       LEU  28   5.715  13.782   3.983
  190   2HB   LEU  28          1HB       LEU  28   7.045  13.809   5.182
  191    HG   LEU  28           HG       LEU  28   4.283  15.114   5.484
  192   1HD1  LEU  28          1HD1      LEU  28   3.983  13.408   7.273
  193   2HD1  LEU  28          2HD1      LEU  28   5.613  12.730   6.924
  194   3HD1  LEU  28          3HD1      LEU  28   4.302  12.616   5.684
  195   1HD2  LEU  28          1HD2      LEU  28   5.005  15.547   7.864
  196   2HD2  LEU  28          2HD2      LEU  28   5.856  16.551   6.647
  197   3HD2  LEU  28          3HD2      LEU  28   6.699  15.132   7.399
  198    H    ASP  29           H        ASP  29   6.254  15.457   1.675
  199    HA   ASP  29           HA       ASP  29   7.249  15.318  -0.193
  200   1HB   ASP  29          2HB       ASP  29   8.575  17.196   0.773
  201   2HB   ASP  29          1HB       ASP  29   9.868  16.035   1.198
  202    H    LYS  30           H        LYS  30   6.891  13.003   1.494
  203    HA   LYS  30           HA       LYS  30   8.621  11.178  -0.003
  204   1HB   LYS  30          2HB       LYS  30   9.008   9.819   1.893
  205   2HB   LYS  30          1HB       LYS  30   9.449  11.518   2.239
  206   1HG   LYS  30          2HG       LYS  30   8.513  10.810   4.198
  207   2HG   LYS  30          1HG       LYS  30   7.212  11.783   3.467
  208   1HD   LYS  30          2HD       LYS  30   5.959   9.821   2.861
  209   2HD   LYS  30          1HD       LYS  30   7.345   8.732   3.087
  210   1HE   LYS  30          2HE       LYS  30   6.059  10.309   5.429
  211   2HE   LYS  30          1HE       LYS  30   5.479   8.677   4.919
  212   1HZ   LYS  30          1HZ       LYS  30   7.543   7.725   5.450
  213   2HZ   LYS  30          2HZ       LYS  30   7.170   8.719   6.758
  214   3HZ   LYS  30          3HZ       LYS  30   8.321   9.202   5.655
  215    H    TYR  31           H        TYR  31   7.845   9.075  -0.300
  216    HA   TYR  31           HA       TYR  31   4.912   8.929  -0.485
  217   1HB   TYR  31          2HB       TYR  31   7.160   7.525  -2.072
  218   2HB   TYR  31          1HB       TYR  31   5.410   7.203  -2.303
  219    HD1  TYR  31           1HD      TYR  31   4.009   8.808  -3.342
  220    HD2  TYR  31           2HD      TYR  31   8.150   9.525  -2.874
  221    HE1  TYR  31           1HE      TYR  31   3.873  10.637  -5.002
  222    HE2  TYR  31           2HE      TYR  31   8.042  11.351  -4.511
  223    HH   TYR  31           HH       TYR  31   6.707  12.650  -5.743
  224    H    ALA  32           H        ALA  32   3.944   6.819  -0.003
  225    HA   ALA  32           HA       ALA  32   5.763   4.731   0.007
  226   1HB   ALA  32          1HB       ALA  32   5.274   3.664   2.225
  227   2HB   ALA  32          2HB       ALA  32   4.212   5.051   2.671
  228   3HB   ALA  32          3HB       ALA  32   5.990   5.280   2.497
  229    H    CYS  33           H        CYS  33   4.684   2.585   0.052
  230    HA   CYS  33           HA       CYS  33   1.779   2.769  -0.281
  231   1HB   CYS  33          2HB       CYS  33   3.150   2.425  -2.467
  232   2HB   CYS  33          1HB       CYS  33   3.558   0.812  -1.837
  233    H    ASN  34           H        ASN  34   0.689   1.516   1.138
  234    HA   ASN  34           HA       ASN  34   2.287  -0.321   2.741
  235   1HB   ASN  34          2HB       ASN  34   0.734   1.630   3.558
  236   2HB   ASN  34          1HB       ASN  34  -0.640   0.560   3.139
  237   1HD2  ASN  34          1HD2      ASN  34  -0.955  -1.377   4.494
  238   2HD2  ASN  34          2HD2      ASN  34  -0.156  -1.511   6.024
  239    H    CYS  35           H        CYS  35   1.895  -2.607   2.768
  240    HA   CYS  35           HA       CYS  35   0.049  -3.469   0.661
  241   1HB   CYS  35          2HB       CYS  35   2.422  -4.894   1.942
  242   2HB   CYS  35          1HB       CYS  35   1.355  -5.573   0.673
  243    H    VAL  36           H        VAL  36  -0.941  -5.588   0.921
  244    HA   VAL  36           HA       VAL  36  -2.117  -5.944   3.509
  245    HB   VAL  36           HB       VAL  36  -2.272  -7.735   1.089
  246   1HG1  VAL  36          1HG1      VAL  36  -4.024  -7.492   3.616
  247   2HG1  VAL  36          2HG1      VAL  36  -3.073  -8.935   3.077
  248   3HG1  VAL  36          3HG1      VAL  36  -4.492  -8.392   2.132
  249   1HG2  VAL  36          1HG2      VAL  36  -4.102  -5.402   2.016
  250   2HG2  VAL  36          2HG2      VAL  36  -4.458  -6.529   0.659
  251   3HG2  VAL  36          3HG2      VAL  36  -3.087  -5.385   0.533
  252    H    VAL  37           H        VAL  37  -1.884  -7.781   4.781
  253    HA   VAL  37           HA       VAL  37   0.826  -8.540   5.056
  254    HB   VAL  37           HB       VAL  37  -0.546  -7.898   6.910
  255   1HG1  VAL  37          1HG1      VAL  37  -2.026 -10.579   6.497
  256   2HG1  VAL  37          2HG1      VAL  37  -2.726  -8.938   6.225
  257   3HG1  VAL  37          3HG1      VAL  37  -2.215  -9.445   7.873
  258   1HG2  VAL  37          1HG2      VAL  37   0.259  -9.600   8.482
  259   2HG2  VAL  37          2HG2      VAL  37   1.515  -9.293   7.232
  260   3HG2  VAL  37          3HG2      VAL  37   0.505 -10.790   7.162
  261    H    GLY  38           H        GLY  38   1.878 -10.430   4.809
  262   1HA   GLY  38          2HA       GLY  38   2.231 -12.555   4.315
  263   2HA   GLY  38          1HA       GLY  38   0.473 -12.818   4.081
  264    H    TYR  39           H        TYR  39   2.024 -10.212   2.419
  265    HA   TYR  39           HA       TYR  39   2.127 -11.744  -0.075
  266   1HB   TYR  39          2HB       TYR  39   1.018  -8.915   0.390
  267   2HB   TYR  39          1HB       TYR  39   1.512  -9.526  -1.232
  268    HD1  TYR  39           1HD      TYR  39   0.354 -11.335  -2.287
  269    HD2  TYR  39           2HD      TYR  39  -0.960  -9.828   1.455
  270    HE1  TYR  39           1HE      TYR  39  -1.764 -12.526  -2.559
  271    HE2  TYR  39           2HE      TYR  39  -3.090 -10.992   1.185
  272    HH   TYR  39           HH       TYR  39  -4.278 -12.436  -0.045
  273    H    ILE  40           H        ILE  40   3.914 -11.536  -1.222
  274    HA   ILE  40           HA       ILE  40   6.084  -9.993  -0.008
  275    HB   ILE  40           HB       ILE  40   7.526 -11.985  -0.446
  276   1HG1  ILE  40          2HG1      ILE  40   4.818 -13.401  -0.790
  277   2HG1  ILE  40          1HG1      ILE  40   5.952 -13.057  -2.135
  278   1HG2  ILE  40          1HG2      ILE  40   6.611 -11.334   1.798
  279   2HG2  ILE  40          2HG2      ILE  40   6.840 -13.105   1.619
  280   3HG2  ILE  40          3HG2      ILE  40   5.189 -12.402   1.516
  281   1HD1  ILE  40          1HD1      ILE  40   6.305 -15.374  -1.430
  282   2HD1  ILE  40          2HD1      ILE  40   6.431 -14.903   0.295
  283   3HD1  ILE  40          3HD1      ILE  40   7.732 -14.428  -0.839
  284    H    GLY  41           H        GLY  41   8.073 -10.088  -1.406
  285   1HA   GLY  41          2HA       GLY  41   8.989  -9.639  -3.473
  286   2HA   GLY  41          1HA       GLY  41   7.343  -9.472  -4.185
  287    H    GLU  42           H        GLU  42   9.284  -7.436  -4.560
  288    HA   GLU  42           HA       GLU  42   9.402  -5.536  -2.595
  289   1HB   GLU  42          2HB       GLU  42   9.502  -5.315  -5.652
  290   2HB   GLU  42          1HB       GLU  42   9.975  -3.994  -4.553
  291   1HG   GLU  42          2HG       GLU  42  11.316  -6.773  -4.693
  292   2HG   GLU  42          1HG       GLU  42  11.915  -5.253  -5.435
  293    H    ARG  43           H        ARG  43   7.207  -5.639  -5.376
  294    HA   ARG  43           HA       ARG  43   5.474  -3.639  -4.128
  295   1HB   ARG  43          2HB       ARG  43   4.418  -3.634  -6.447
  296   2HB   ARG  43          1HB       ARG  43   6.065  -3.011  -6.311
  297   1HG   ARG  43          2HG       ARG  43   6.019  -5.938  -6.938
  298   2HG   ARG  43          1HG       ARG  43   5.175  -4.907  -8.134
  299   1HD   ARG  43          2HD       ARG  43   7.189  -3.434  -8.324
  300   2HD   ARG  43          1HD       ARG  43   8.113  -4.542  -7.238
  301    HE   ARG  43           HE       ARG  43   7.074  -6.283  -9.161
  302   1HH1  ARG  43          1HH1      ARG  43   9.176  -3.395  -9.403
  303   2HH1  ARG  43          2HH1      ARG  43   9.243  -3.461 -11.131
  304   1HH2  ARG  43          1HH2      ARG  43   7.848  -6.689 -11.319
  305   2HH2  ARG  43          2HH2      ARG  43   8.616  -5.434 -12.182
  306    H    CYS  44           H        CYS  44   5.665  -6.434  -3.174
  307    HA   CYS  44           HA       CYS  44   4.352  -7.918  -2.332
  308   1HB   CYS  44          2HB       CYS  44   2.300  -5.686  -2.526
  309   2HB   CYS  44          1HB       CYS  44   2.247  -7.060  -1.379
  310    H    GLN  45           H        GLN  45   4.542  -8.632  -4.907
  311    HA   GLN  45           HA       GLN  45   2.024  -8.837  -6.150
  312   1HB   GLN  45          2HB       GLN  45   4.596 -10.309  -6.862
  313   2HB   GLN  45          1HB       GLN  45   3.172  -9.999  -7.910
  314   1HG   GLN  45          2HG       GLN  45   3.607  -7.484  -7.602
  315   2HG   GLN  45          1HG       GLN  45   5.135  -7.911  -6.759
  316   1HE2  GLN  45          1HE2      GLN  45   3.456  -9.031  -9.811
  317   2HE2  GLN  45          2HE2      GLN  45   4.820  -8.684 -10.833
  318    H    TYR  46           H        TYR  46   3.928 -11.263  -4.348
  319    HA   TYR  46           HA       TYR  46   1.933 -13.274  -5.149
  320   1HB   TYR  46          2HB       TYR  46   4.743 -13.870  -4.098
  321   2HB   TYR  46          1HB       TYR  46   3.658 -14.931  -5.058
  322    HD1  TYR  46           1HD      TYR  46   3.121 -14.080  -7.466
  323    HD2  TYR  46           2HD      TYR  46   6.350 -12.644  -5.115
  324    HE1  TYR  46           1HE      TYR  46   4.214 -13.250  -9.485
  325    HE2  TYR  46           2HE      TYR  46   7.451 -11.802  -7.113
  326    HH   TYR  46           HH       TYR  46   5.965 -12.211 -10.348
  327    H    ARG  47           H        ARG  47   1.366 -14.894  -3.424
  328    HA   ARG  47           HA       ARG  47   1.740 -13.718  -0.753
  329   1HB   ARG  47          2HB       ARG  47   0.013 -15.527  -0.069
  330   2HB   ARG  47          1HB       ARG  47  -0.457 -13.988  -0.784
  331   1HG   ARG  47          2HG       ARG  47  -0.768 -14.994  -2.998
  332   2HG   ARG  47          1HG       ARG  47  -0.235 -16.600  -2.391
  333   1HD   ARG  47          2HD       ARG  47  -2.201 -16.778  -0.929
  334   2HD   ARG  47          1HD       ARG  47  -2.645 -15.053  -1.207
  335    HE   ARG  47           HE       ARG  47  -2.746 -17.254  -3.318
  336   1HH1  ARG  47          1HH1      ARG  47  -3.784 -13.906  -2.361
  337   2HH1  ARG  47          2HH1      ARG  47  -4.533 -13.704  -3.918
  338   1HH2  ARG  47          1HH2      ARG  47  -3.939 -16.944  -5.072
  339   2HH2  ARG  47          2HH2      ARG  47  -4.939 -15.528  -5.263
  340    H    ASP  48           H        ASP  48   2.436 -14.787   1.010
  341    HA   ASP  48           HA       ASP  48   3.843 -17.298   0.531
  342   1HB   ASP  48          2HB       ASP  48   4.987 -15.393   1.834
  343   2HB   ASP  48          1HB       ASP  48   3.772 -15.678   3.132
  344    H    LEU  49           H        LEU  49   2.557 -19.049   0.681
  345    HA   LEU  49           HA       LEU  49   0.086 -18.842   2.129
  346   1HB   LEU  49          2HB       LEU  49   0.634 -19.870  -0.240
  347   2HB   LEU  49          1HB       LEU  49   1.109 -21.313   0.691
  348    HG   LEU  49           HG       LEU  49  -1.259 -21.197   1.762
  349   1HD1  LEU  49          1HD1      LEU  49  -1.839 -18.825   1.192
  350   2HD1  LEU  49          2HD1      LEU  49  -3.011 -19.978   0.457
  351   3HD1  LEU  49          3HD1      LEU  49  -1.732 -19.226  -0.566
  352   1HD2  LEU  49          1HD2      LEU  49  -1.020 -21.644  -1.280
  353   2HD2  LEU  49          2HD2      LEU  49  -2.338 -22.268  -0.215
  354   3HD2  LEU  49          3HD2      LEU  49  -0.646 -22.843   0.016
  355    H    LYS  50           H        LYS  50   3.178 -19.645   3.101
  356    HA   LYS  50           HA       LYS  50   2.684 -22.235   4.108
  357   1HB   LYS  50          2HB       LYS  50   5.064 -20.329   4.244
  358   2HB   LYS  50          1HB       LYS  50   5.086 -21.993   4.910
  359   1HG   LYS  50          2HG       LYS  50   6.173 -22.128   2.897
  360   2HG   LYS  50          1HG       LYS  50   4.589 -22.870   2.583
  361   1HD   LYS  50          2HD       LYS  50   4.036 -21.294   1.010
  362   2HD   LYS  50          1HD       LYS  50   4.663 -19.927   1.977
  363   1HE   LYS  50          2HE       LYS  50   6.512 -21.842   0.445
  364   2HE   LYS  50          1HE       LYS  50   5.828 -20.298  -0.246
  365   1HZ   LYS  50          1HZ       LYS  50   7.687 -20.630   2.040
  366   2HZ   LYS  50          2HZ       LYS  50   6.818 -19.182   1.750
  367   3HZ   LYS  50          3HZ       LYS  50   7.910 -19.783   0.612
  368    H    TRP  51           H        TRP  51   2.571 -19.063   5.603
  369    HA   TRP  51           HA       TRP  51   2.846 -20.090   8.242
  370   1HB   TRP  51          2HB       TRP  51   2.302 -17.814   8.952
  371   2HB   TRP  51          1HB       TRP  51   3.582 -17.863   7.696
  372    HD1  TRP  51           HD       TRP  51   2.880 -16.878   5.194
  373    HE1  TRP  51           1HE      TRP  51   0.910 -15.458   4.435
  374    HE3  TRP  51           3HE      TRP  51   0.089 -17.016   9.435
  375    HZ2  TRP  51           2HZ      TRP  51  -1.266 -14.098   5.657
  376    HZ3  TRP  51           3HZ      TRP  51  -1.905 -15.610   9.585
  377    HH2  TRP  51           HH       TRP  51  -2.581 -14.182   7.731
  378    H    TRP  52           H        TRP  52   0.226 -19.742   6.081
  379    HA   TRP  52           HA       TRP  52  -1.870 -19.584   7.933
  380   1HB   TRP  52          2HB       TRP  52  -1.851 -20.728   5.096
  381   2HB   TRP  52          1HB       TRP  52  -3.325 -20.354   6.039
  382    HD1  TRP  52           HD       TRP  52  -0.368 -18.416   4.312
  383    HE1  TRP  52           1HE      TRP  52  -1.385 -16.200   3.480
  384    HE3  TRP  52           3HE      TRP  52  -4.856 -18.668   6.662
  385    HZ2  TRP  52           2HZ      TRP  52  -3.763 -14.764   3.801
  386    HZ3  TRP  52           3HZ      TRP  52  -6.435 -16.826   6.392
  387    HH2  TRP  52           HH       TRP  52  -5.910 -14.905   4.989
  388    H    GLU  53           H        GLU  53  -0.263 -22.408   6.507
  389    HA   GLU  53           HA       GLU  53  -1.957 -24.141   8.158
  390   1HB   GLU  53          2HB       GLU  53  -1.869 -24.502   5.654
  391   2HB   GLU  53          1HB       GLU  53  -0.178 -25.024   5.869
  392   1HG   GLU  53          2HG       GLU  53  -1.052 -26.819   7.514
  393   2HG   GLU  53          1HG       GLU  53  -2.714 -26.250   7.155
  394    H    LEU  54           H        LEU  54  -0.623 -23.150   9.938
  395    HA   LEU  54           HA       LEU  54   1.632 -24.966  10.444
  396   1HB   LEU  54          2HB       LEU  54   0.877 -22.287  11.716
  397   2HB   LEU  54          1HB       LEU  54   2.157 -23.374  12.344
  398    HG   LEU  54           HG       LEU  54   2.201 -22.127   9.544
  399   1HD1  LEU  54          1HD1      LEU  54   2.289 -20.357  11.297
  400   2HD1  LEU  54          2HD1      LEU  54   3.884 -20.536  10.475
  401   3HD1  LEU  54          3HD1      LEU  54   3.639 -21.226  12.123
  402   1HD2  LEU  54          1HD2      LEU  54   4.383 -23.551  11.210
  403   2HD2  LEU  54          2HD2      LEU  54   4.637 -22.741   9.620
  404   3HD2  LEU  54          3HD2      LEU  54   3.585 -24.200   9.726
  Start of MODEL   16
    1   1H    VAL   1          1HT       VAL   1   7.406  16.435   5.971
    2   2H    VAL   1          2HT       VAL   1   8.364  17.397   6.954
    3   3H    VAL   1          3HT       VAL   1   6.985  18.046   6.277
    4    HA   VAL   1           HA       VAL   1   6.970  15.886   8.277
    5    HB   VAL   1           HB       VAL   1   6.370  18.860   8.505
    6   1HG1  VAL   1          1HG1      VAL   1   6.043  18.365  10.950
    7   2HG1  VAL   1          2HG1      VAL   1   6.093  16.607  10.608
    8   3HG1  VAL   1          3HG1      VAL   1   4.755  17.632   9.948
    9   1HG2  VAL   1          1HG2      VAL   1   8.235  18.783  10.187
   10   2HG2  VAL   1          2HG2      VAL   1   8.830  18.374   8.553
   11   3HG2  VAL   1          3HG2      VAL   1   8.552  17.071   9.772
   12    H    VAL   2           H        VAL   2   4.867  15.021   8.808
   13    HA   VAL   2           HA       VAL   2   2.835  15.767   6.879
   14    HB   VAL   2           HB       VAL   2   3.557  13.572   6.634
   15   1HG1  VAL   2          1HG1      VAL   2   2.908  13.104   9.614
   16   2HG1  VAL   2          2HG1      VAL   2   4.557  13.114   8.870
   17   3HG1  VAL   2          3HG1      VAL   2   3.370  11.862   8.404
   18   1HG2  VAL   2          1HG2      VAL   2   1.422  12.400   6.852
   19   2HG2  VAL   2          2HG2      VAL   2   1.090  14.100   6.375
   20   3HG2  VAL   2          3HG2      VAL   2   0.828  13.556   8.080
   21    H    SER   3           H        SER   3   1.165  16.998   7.514
   22    HA   SER   3           HA       SER   3   0.354  16.939  10.306
   23   1HB   SER   3          2HB       SER   3  -1.231  18.724   9.563
   24   2HB   SER   3          1HB       SER   3   0.491  19.117   9.273
   25    HG   SER   3           HG       SER   3  -0.846  19.570   7.474
   26    H    HIS   4           H        HIS   4  -1.073  16.399   7.084
   27    HA   HIS   4           HA       HIS   4  -3.187  14.780   8.352
   28   1HB   HIS   4          2HB       HIS   4  -3.225  16.450   5.774
   29   2HB   HIS   4          1HB       HIS   4  -4.604  15.495   6.410
   30    HD1  HIS   4           1HD      HIS   4  -5.780  16.410   8.508
   31    HD2  HIS   4           2HD      HIS   4  -2.909  19.000   6.917
   32    HE1  HIS   4           1HE      HIS   4  -6.077  18.650   9.677
   33    HE2  HIS   4           2HE      HIS   4  -4.412  20.193   8.655
   34    H    PHE   5           H        PHE   5  -3.564  12.744   7.627
   35    HA   PHE   5           HA       PHE   5  -1.957  11.774   5.369
   36   1HB   PHE   5          2HB       PHE   5  -3.392  10.335   7.680
   37   2HB   PHE   5          1HB       PHE   5  -2.713   9.480   6.258
   38    HD1  PHE   5           1HD      PHE   5  -1.868  11.461   9.250
   39    HD2  PHE   5           2HD      PHE   5  -0.404   9.169   5.986
   40    HE1  PHE   5           1HE      PHE   5   0.303  11.272  10.361
   41    HE2  PHE   5           2HE      PHE   5   1.768   8.967   7.100
   42    HZ   PHE   5           HZ       PHE   5   2.119  10.003   9.299
   43    H    ASN   6           H        ASN   6  -3.031  11.371   3.447
   44    HA   ASN   6           HA       ASN   6  -5.795  10.578   3.638
   45   1HB   ASN   6          2HB       ASN   6  -6.554  12.162   1.866
   46   2HB   ASN   6          1HB       ASN   6  -6.047  12.990   3.366
   47   1HD2  ASN   6          1HD2      ASN   6  -4.911  12.213  -0.003
   48   2HD2  ASN   6          2HD2      ASN   6  -4.038  13.717  -0.114
   49    H    ASP   7           H        ASP   7  -6.671   9.793   1.517
   50    HA   ASP   7           HA       ASP   7  -4.736   8.066   0.404
   51   1HB   ASP   7          2HB       ASP   7  -6.707   7.077  -0.736
   52   2HB   ASP   7          1HB       ASP   7  -7.003   7.299   1.023
   53    H    CYS   8           H        CYS   8  -4.736   7.703  -2.004
   54    HA   CYS   8           HA       CYS   8  -3.694  10.053  -3.120
   55   1HB   CYS   8          2HB       CYS   8  -2.906   8.626  -4.892
   56   2HB   CYS   8          1HB       CYS   8  -2.521   8.013  -3.273
   57    HA   PRO   9           HA       PRO   9  -7.418  10.412  -5.629
   58   1HB   PRO   9          2HB       PRO   9  -7.729  13.101  -5.710
   59   2HB   PRO   9          1HB       PRO   9  -7.973  12.147  -4.211
   60   1HG   PRO   9          2HG       PRO   9  -5.644  13.964  -4.881
   61   2HG   PRO   9          1HG       PRO   9  -6.379  13.561  -3.284
   62   1HD   PRO   9          2HD       PRO   9  -4.057  12.289  -4.580
   63   2HD   PRO   9          1HD       PRO   9  -4.810  11.887  -2.990
   64    H    LEU  10           H        LEU  10  -5.159  13.025  -6.572
   65    HA   LEU  10           HA       LEU  10  -5.697  12.536  -9.291
   66   1HB   LEU  10          2HB       LEU  10  -4.361  14.351  -9.862
   67   2HB   LEU  10          1HB       LEU  10  -5.327  14.786  -8.441
   68    HG   LEU  10           HG       LEU  10  -2.330  14.092  -8.435
   69   1HD1  LEU  10          1HD1      LEU  10  -2.863  16.197  -9.639
   70   2HD1  LEU  10          2HD1      LEU  10  -2.009  16.519  -8.085
   71   3HD1  LEU  10          3HD1      LEU  10  -3.789  16.791  -8.208
   72   1HD2  LEU  10          1HD2      LEU  10  -4.153  15.163  -6.183
   73   2HD2  LEU  10          2HD2      LEU  10  -2.358  15.162  -6.135
   74   3HD2  LEU  10          3HD2      LEU  10  -3.238  13.596  -6.173
   75    H    SER  11           H        SER  11  -2.832  11.919  -7.329
   76    HA   SER  11           HA       SER  11  -1.404  10.864  -9.582
   77   1HB   SER  11          2HB       SER  11  -0.251  12.180  -7.839
   78   2HB   SER  11          1HB       SER  11  -0.646  10.932  -6.619
   79    HG   SER  11           HG       SER  11   0.736   9.596  -7.522
   80    H    HIS  12           H        HIS  12  -1.786   8.912 -10.354
   81    HA   HIS  12           HA       HIS  12  -2.690   6.778  -8.572
   82   1HB   HIS  12          2HB       HIS  12  -2.593   7.163 -11.593
   83   2HB   HIS  12          1HB       HIS  12  -2.763   5.524 -10.903
   84    HD1  HIS  12           1HD      HIS  12  -4.799   4.952  -9.559
   85    HD2  HIS  12           2HD      HIS  12  -5.000   8.817 -11.161
   86    HE1  HIS  12           1HE      HIS  12  -7.215   5.716  -9.349
   87    HE2  HIS  12           2HE      HIS  12  -7.277   8.064 -10.278
   88    H    ASP  13           H        ASP  13  -1.388   5.338  -7.729
   89    HA   ASP  13           HA       ASP  13   1.281   4.973  -8.639
   90   1HB   ASP  13          2HB       ASP  13  -0.536   3.807  -6.467
   91   2HB   ASP  13          1HB       ASP  13   0.994   2.956  -6.873
   92    H    GLY  14           H        GLY  14   2.166   2.920  -9.135
   93   1HA   GLY  14          2HA       GLY  14   0.448   1.364 -10.959
   94   2HA   GLY  14          1HA       GLY  14   2.113   1.918 -11.338
   95    H    TYR  15           H        TYR  15   3.076   1.363  -8.596
   96    HA   TYR  15           HA       TYR  15   3.312  -1.513  -8.787
   97   1HB   TYR  15          2HB       TYR  15   4.974   0.727  -7.835
   98   2HB   TYR  15          1HB       TYR  15   4.793  -0.471  -6.522
   99    HD1  TYR  15           1HD      TYR  15   5.176  -2.893  -7.064
  100    HD2  TYR  15           2HD      TYR  15   6.437   0.265  -9.594
  101    HE1  TYR  15           1HE      TYR  15   6.785  -4.406  -8.146
  102    HE2  TYR  15           2HE      TYR  15   8.066  -1.232 -10.665
  103    HH   TYR  15           HH       TYR  15   8.811  -3.370 -10.853
  104    H    CYS  16           H        CYS  16   1.585   0.867  -6.876
  105    HA   CYS  16           HA       CYS  16   1.121  -1.107  -4.803
  106   1HB   CYS  16          2HB       CYS  16  -0.135   1.652  -5.080
  107   2HB   CYS  16          1HB       CYS  16  -0.213   0.555  -3.666
  108    H    LEU  17           H        LEU  17  -0.090  -2.730  -5.368
  109    HA   LEU  17           HA       LEU  17  -2.769  -2.353  -6.285
  110   1HB   LEU  17          2HB       LEU  17  -2.537  -3.854  -8.253
  111   2HB   LEU  17          1HB       LEU  17  -1.662  -2.314  -8.392
  112    HG   LEU  17           HG       LEU  17   0.477  -3.570  -7.692
  113   1HD1  LEU  17          1HD1      LEU  17  -0.396  -5.723  -6.863
  114   2HD1  LEU  17          2HD1      LEU  17   0.478  -6.026  -8.400
  115   3HD1  LEU  17          3HD1      LEU  17  -1.324  -5.980  -8.394
  116   1HD2  LEU  17          1HD2      LEU  17   0.872  -4.291 -10.029
  117   2HD2  LEU  17          2HD2      LEU  17  -0.021  -2.725  -9.980
  118   3HD2  LEU  17          3HD2      LEU  17  -0.904  -4.255 -10.359
  119    H    HIS  18           H        HIS  18  -3.695  -4.758  -6.571
  120    HA   HIS  18           HA       HIS  18  -4.285  -6.577  -5.575
  121   1HB   HIS  18          2HB       HIS  18  -1.788  -7.110  -5.545
  122   2HB   HIS  18          1HB       HIS  18  -1.799  -6.659  -3.827
  123    HD1  HIS  18           1HD      HIS  18  -3.755  -8.249  -2.437
  124    HD2  HIS  18           2HD      HIS  18  -2.065  -9.713  -5.982
  125    HE1  HIS  18           1HE      HIS  18  -3.950 -10.749  -2.349
  126    HE2  HIS  18           2HE      HIS  18  -2.977 -11.612  -4.512
  127    H    ASP  19           H        ASP  19  -5.434  -4.350  -4.862
  128    HA   ASP  19           HA       ASP  19  -6.530  -3.195  -3.400
  129   1HB   ASP  19          2HB       ASP  19  -6.581  -5.849  -1.884
  130   2HB   ASP  19          1HB       ASP  19  -7.663  -4.445  -1.540
  131    H    GLY  20           H        GLY  20  -4.379  -2.056  -3.182
  132   1HA   GLY  20          2HA       GLY  20  -3.293  -2.307  -0.473
  133   2HA   GLY  20          1HA       GLY  20  -2.534  -1.582  -1.935
  134    H    VAL  21           H        VAL  21  -3.223  -0.598   0.919
  135    HA   VAL  21           HA       VAL  21  -5.011   1.570   0.377
  136    HB   VAL  21           HB       VAL  21  -3.269   1.066   2.809
  137   1HG1  VAL  21          1HG1      VAL  21  -5.760   2.841   2.319
  138   2HG1  VAL  21          2HG1      VAL  21  -4.086   3.443   2.621
  139   3HG1  VAL  21          3HG1      VAL  21  -4.970   2.556   3.907
  140   1HG2  VAL  21          1HG2      VAL  21  -5.413   0.159   3.784
  141   2HG2  VAL  21          2HG2      VAL  21  -4.785  -0.875   2.458
  142   3HG2  VAL  21          3HG2      VAL  21  -6.172   0.235   2.155
  143    H    CYS  22           H        CYS  22  -4.335   3.313  -0.761
  144    HA   CYS  22           HA       CYS  22  -1.495   3.912  -0.835
  145   1HB   CYS  22          2HB       CYS  22  -1.924   5.353  -2.684
  146   2HB   CYS  22          1HB       CYS  22  -2.678   3.770  -2.973
  147    H    MET  23           H        MET  23  -0.541   5.573   0.244
  148    HA   MET  23           HA       MET  23  -2.266   7.826   0.996
  149   1HB   MET  23          2HB       MET  23   0.261   6.786   2.375
  150   2HB   MET  23          1HB       MET  23  -0.562   8.326   2.775
  151   1HG   MET  23          2HG       MET  23  -1.858   5.554   3.017
  152   2HG   MET  23          1HG       MET  23  -1.016   6.398   4.344
  153   1HE   MET  23          1HE       MET  23  -4.763   6.348   5.320
  154   2HE   MET  23          2HE       MET  23  -3.078   5.881   5.735
  155   3HE   MET  23          3HE       MET  23  -3.886   5.153   4.309
  156    H    TYR  24           H        TYR  24  -1.624   9.766   0.167
  157    HA   TYR  24           HA       TYR  24   1.092   9.993  -0.884
  158   1HB   TYR  24          2HB       TYR  24  -0.308   9.634  -2.899
  159   2HB   TYR  24          1HB       TYR  24  -1.514  10.825  -2.283
  160    HD1  TYR  24           1HD      TYR  24   2.256  11.116  -2.504
  161    HD2  TYR  24           2HD      TYR  24  -1.595  12.394  -3.798
  162    HE1  TYR  24           1HE      TYR  24   3.278  12.953  -3.720
  163    HE2  TYR  24           2HE      TYR  24  -0.590  14.190  -5.056
  164    HH   TYR  24           HH       TYR  24   1.312  15.276  -5.582
  165    H    ILE  25           H        ILE  25   2.086  11.641   0.229
  166    HA   ILE  25           HA       ILE  25   0.331  13.656   1.419
  167    HB   ILE  25           HB       ILE  25   2.994  12.576   2.376
  168   1HG1  ILE  25          2HG1      ILE  25   1.280  12.051   4.391
  169   2HG1  ILE  25          1HG1      ILE  25   0.120  11.863   3.050
  170   1HG2  ILE  25          1HG2      ILE  25   2.410  13.982   4.377
  171   2HG2  ILE  25          2HG2      ILE  25   0.944  14.594   3.510
  172   3HG2  ILE  25          3HG2      ILE  25   2.607  14.979   2.890
  173   1HD1  ILE  25          1HD1      ILE  25   1.212   9.690   3.737
  174   2HD1  ILE  25          2HD1      ILE  25   2.830  10.382   3.356
  175   3HD1  ILE  25          3HD1      ILE  25   1.640  10.095   2.036
  176    H    GLU  26           H        GLU  26   0.429  15.361  -0.013
  177    HA   GLU  26           HA       GLU  26   2.544  15.904  -1.659
  178   1HB   GLU  26          2HB       GLU  26   0.361  17.721  -0.540
  179   2HB   GLU  26          1HB       GLU  26   1.495  18.197  -1.850
  180   1HG   GLU  26          2HG       GLU  26   0.678  16.328  -3.272
  181   2HG   GLU  26          1HG       GLU  26  -0.555  15.902  -2.034
  182    H    ALA  27           H        ALA  27   2.072  16.962   1.676
  183    HA   ALA  27           HA       ALA  27   4.043  18.894   1.795
  184   1HB   ALA  27          1HB       ALA  27   3.283  16.843   3.960
  185   2HB   ALA  27          2HB       ALA  27   2.381  18.369   3.609
  186   3HB   ALA  27          3HB       ALA  27   4.073  18.437   4.218
  187    H    LEU  28           H        LEU  28   4.406  15.402   1.666
  188    HA   LEU  28           HA       LEU  28   7.250  15.597   2.282
  189   1HB   LEU  28          2HB       LEU  28   5.562  13.123   1.670
  190   2HB   LEU  28          1HB       LEU  28   7.226  13.173   2.325
  191    HG   LEU  28           HG       LEU  28   4.636  14.044   3.712
  192   1HD1  LEU  28          1HD1      LEU  28   4.997  11.576   3.545
  193   2HD1  LEU  28          2HD1      LEU  28   5.133  12.151   5.247
  194   3HD1  LEU  28          3HD1      LEU  28   6.620  11.761   4.309
  195   1HD2  LEU  28          1HD2      LEU  28   6.348  15.589   4.496
  196   2HD2  LEU  28          2HD2      LEU  28   7.525  14.231   4.755
  197   3HD2  LEU  28          3HD2      LEU  28   6.041  14.351   5.776
  198    H    ASP  29           H        ASP  29   5.005  15.087  -0.307
  199    HA   ASP  29           HA       ASP  29   5.094  15.004  -2.427
  200   1HB   ASP  29          2HB       ASP  29   6.969  16.622  -2.314
  201   2HB   ASP  29          1HB       ASP  29   8.137  15.258  -2.367
  202    H    LYS  30           H        LYS  30   5.714  12.783  -0.407
  203    HA   LYS  30           HA       LYS  30   6.277  10.651  -2.351
  204   1HB   LYS  30          2HB       LYS  30   6.984  10.734   0.630
  205   2HB   LYS  30          1HB       LYS  30   7.434   9.448  -0.530
  206   1HG   LYS  30          2HG       LYS  30   8.433  12.349  -0.531
  207   2HG   LYS  30          1HG       LYS  30   9.329  10.903   0.014
  208   1HD   LYS  30          2HD       LYS  30   9.256   9.971  -2.309
  209   2HD   LYS  30          1HD       LYS  30   8.260  11.364  -2.833
  210   1HE   LYS  30          2HE       LYS  30  10.672  11.557  -3.540
  211   2HE   LYS  30          1HE       LYS  30  10.094  12.951  -2.541
  212   1HZ   LYS  30          1HZ       LYS  30  11.258  12.240  -0.736
  213   2HZ   LYS  30          2HZ       LYS  30  12.337  11.815  -1.984
  214   3HZ   LYS  30          3HZ       LYS  30  11.396  10.626  -1.270
  215    H    TYR  31           H        TYR  31   5.730   8.508  -1.484
  216    HA   TYR  31           HA       TYR  31   2.905   8.578  -0.723
  217   1HB   TYR  31          2HB       TYR  31   4.201   6.243  -2.209
  218   2HB   TYR  31          1HB       TYR  31   2.509   6.812  -2.263
  219    HD1  TYR  31           1HD      TYR  31   1.957   8.743  -3.701
  220    HD2  TYR  31           2HD      TYR  31   5.892   7.180  -3.480
  221    HE1  TYR  31           1HE      TYR  31   2.542   9.979  -5.721
  222    HE2  TYR  31           2HE      TYR  31   6.499   8.403  -5.531
  223    HH   TYR  31           HH       TYR  31   4.236   9.733  -7.574
  224    H    ALA  32           H        ALA  32   2.150   6.497   0.310
  225    HA   ALA  32           HA       ALA  32   4.210   4.635   0.866
  226   1HB   ALA  32          1HB       ALA  32   2.641   5.795   3.262
  227   2HB   ALA  32          2HB       ALA  32   4.411   5.986   2.979
  228   3HB   ALA  32          3HB       ALA  32   3.737   4.359   3.332
  229    H    CYS  33           H        CYS  33   3.378   2.562   0.695
  230    HA   CYS  33           HA       CYS  33   0.442   2.416   0.570
  231   1HB   CYS  33          2HB       CYS  33   2.487   0.796  -0.998
  232   2HB   CYS  33          1HB       CYS  33   0.699   0.618  -1.064
  233    H    ASN  34           H        ASN  34  -0.593   0.712   1.543
  234    HA   ASN  34           HA       ASN  34   1.088  -1.066   3.167
  235   1HB   ASN  34          2HB       ASN  34  -0.068   0.673   4.532
  236   2HB   ASN  34          1HB       ASN  34  -1.642   0.156   3.856
  237   1HD2  ASN  34          1HD2      ASN  34   1.258  -1.461   5.468
  238   2HD2  ASN  34          2HD2      ASN  34   0.249  -2.401   6.527
  239    H    CYS  35           H        CYS  35   0.290  -3.202   3.494
  240    HA   CYS  35           HA       CYS  35  -1.729  -4.086   1.570
  241   1HB   CYS  35          2HB       CYS  35   0.965  -5.432   2.187
  242   2HB   CYS  35          1HB       CYS  35  -0.315  -6.129   1.144
  243    H    VAL  36           H        VAL  36  -2.339  -6.430   2.111
  244    HA   VAL  36           HA       VAL  36  -2.829  -6.722   4.903
  245    HB   VAL  36           HB       VAL  36  -3.224  -8.725   2.670
  246   1HG1  VAL  36          1HG1      VAL  36  -5.126  -9.470   4.151
  247   2HG1  VAL  36          2HG1      VAL  36  -4.539  -8.369   5.443
  248   3HG1  VAL  36          3HG1      VAL  36  -3.528  -9.771   4.889
  249   1HG2  VAL  36          1HG2      VAL  36  -5.583  -7.795   2.602
  250   2HG2  VAL  36          2HG2      VAL  36  -4.382  -6.619   1.997
  251   3HG2  VAL  36          3HG2      VAL  36  -5.061  -6.441   3.661
  252    H    VAL  37           H        VAL  37  -2.125  -8.642   6.108
  253    HA   VAL  37           HA       VAL  37   0.692  -8.844   5.872
  254    HB   VAL  37           HB       VAL  37  -0.420  -8.522   7.979
  255   1HG1  VAL  37          1HG1      VAL  37  -1.580 -10.362   9.126
  256   2HG1  VAL  37          2HG1      VAL  37  -1.374 -11.449   7.717
  257   3HG1  VAL  37          3HG1      VAL  37  -2.442 -10.003   7.591
  258   1HG2  VAL  37          1HG2      VAL  37   1.895  -9.489   7.842
  259   2HG2  VAL  37          2HG2      VAL  37   1.187 -11.155   7.853
  260   3HG2  VAL  37          3HG2      VAL  37   0.972 -10.078   9.270
  261    H    GLY  38           H        GLY  38   1.988 -10.474   5.232
  262   1HA   GLY  38          2HA       GLY  38   2.587 -12.514   4.580
  263   2HA   GLY  38          1HA       GLY  38   0.913 -13.103   4.816
  264    H    TYR  39           H        TYR  39   1.368 -10.320   2.831
  265    HA   TYR  39           HA       TYR  39   1.338 -11.937   0.384
  266   1HB   TYR  39          2HB       TYR  39  -0.282  -9.378   0.957
  267   2HB   TYR  39          1HB       TYR  39  -0.138 -10.179  -0.659
  268    HD1  TYR  39           1HD      TYR  39  -1.605 -10.349   2.672
  269    HD2  TYR  39           2HD      TYR  39  -1.035 -12.442  -0.978
  270    HE1  TYR  39           1HE      TYR  39  -3.283 -11.971   3.360
  271    HE2  TYR  39           2HE      TYR  39  -2.725 -14.077  -0.303
  272    HH   TYR  39           HH       TYR  39  -4.377 -13.851   2.844
  273    H    ILE  40           H        ILE  40   3.250 -11.629  -0.529
  274    HA   ILE  40           HA       ILE  40   4.756  -9.264   0.338
  275    HB   ILE  40           HB       ILE  40   6.729 -10.691   0.323
  276   1HG1  ILE  40          2HG1      ILE  40   4.710 -12.951  -0.257
  277   2HG1  ILE  40          1HG1      ILE  40   5.968 -12.333  -1.382
  278   1HG2  ILE  40          1HG2      ILE  40   5.289 -10.242   2.353
  279   2HG2  ILE  40          2HG2      ILE  40   6.192 -11.793   2.418
  280   3HG2  ILE  40          3HG2      ILE  40   4.434 -11.800   2.044
  281   1HD1  ILE  40          1HD1      ILE  40   6.755 -14.409  -0.337
  282   2HD1  ILE  40          2HD1      ILE  40   6.490 -13.743   1.311
  283   3HD1  ILE  40          3HD1      ILE  40   7.758 -13.028   0.243
  284    H    GLY  41           H        GLY  41   6.910  -9.133  -1.028
  285   1HA   GLY  41          2HA       GLY  41   7.798  -8.714  -3.053
  286   2HA   GLY  41          1HA       GLY  41   6.245  -9.111  -3.866
  287    H    GLU  42           H        GLU  42   7.687  -6.784  -4.563
  288    HA   GLU  42           HA       GLU  42   7.101  -4.573  -3.068
  289   1HB   GLU  42          2HB       GLU  42   7.501  -4.694  -6.105
  290   2HB   GLU  42          1HB       GLU  42   7.804  -3.312  -5.018
  291   1HG   GLU  42          2HG       GLU  42   9.949  -4.002  -5.164
  292   2HG   GLU  42          1HG       GLU  42   9.486  -5.108  -3.826
  293    H    ARG  43           H        ARG  43   5.127  -6.294  -5.221
  294    HA   ARG  43           HA       ARG  43   3.028  -4.227  -5.282
  295   1HB   ARG  43          2HB       ARG  43   2.272  -5.671  -7.302
  296   2HB   ARG  43          1HB       ARG  43   3.742  -4.696  -7.508
  297   1HG   ARG  43          2HG       ARG  43   5.220  -6.536  -7.270
  298   2HG   ARG  43          1HG       ARG  43   3.952  -7.623  -6.606
  299   1HD   ARG  43          2HD       ARG  43   2.822  -7.718  -8.804
  300   2HD   ARG  43          1HD       ARG  43   4.041  -6.572  -9.508
  301    HE   ARG  43           HE       ARG  43   5.663  -8.480  -8.391
  302   1HH1  ARG  43          1HH1      ARG  43   3.140  -8.480 -10.924
  303   2HH1  ARG  43          2HH1      ARG  43   3.860  -9.807 -11.769
  304   1HH2  ARG  43          1HH2      ARG  43   6.437 -10.387  -9.433
  305   2HH2  ARG  43          2HH2      ARG  43   5.883 -10.742 -11.025
  306    H    CYS  44           H        CYS  44   3.729  -6.521  -3.235
  307    HA   CYS  44           HA       CYS  44   2.723  -8.081  -2.100
  308   1HB   CYS  44          2HB       CYS  44   0.455  -6.093  -2.398
  309   2HB   CYS  44          1HB       CYS  44   0.519  -7.385  -1.157
  310    H    GLN  45           H        GLN  45   2.976  -9.434  -4.065
  311    HA   GLN  45           HA       GLN  45   0.432 -10.111  -5.374
  312   1HB   GLN  45          2HB       GLN  45   2.513  -9.057  -6.534
  313   2HB   GLN  45          1HB       GLN  45   3.343 -10.585  -6.229
  314   1HG   GLN  45          2HG       GLN  45   2.682 -10.696  -8.462
  315   2HG   GLN  45          1HG       GLN  45   1.525 -11.786  -7.630
  316   1HE2  GLN  45          1HE2      GLN  45   0.964  -8.450  -7.039
  317   2HE2  GLN  45          2HE2      GLN  45  -0.303  -8.180  -8.234
  318    H    TYR  46           H        TYR  46   3.162 -11.453  -3.615
  319    HA   TYR  46           HA       TYR  46   2.491 -14.180  -4.418
  320   1HB   TYR  46          2HB       TYR  46   4.986 -13.102  -2.983
  321   2HB   TYR  46          1HB       TYR  46   4.772 -14.744  -3.666
  322    HD1  TYR  46           1HD      TYR  46   5.580 -15.132  -5.797
  323    HD2  TYR  46           2HD      TYR  46   4.910 -11.114  -4.592
  324    HE1  TYR  46           1HE      TYR  46   6.802 -14.334  -7.756
  325    HE2  TYR  46           2HE      TYR  46   6.038 -10.307  -6.555
  326    HH   TYR  46           HH       TYR  46   7.676 -12.493  -8.838
  327    H    ARG  47           H        ARG  47   2.605 -15.828  -2.609
  328    HA   ARG  47           HA       ARG  47   1.529 -14.596  -0.161
  329   1HB   ARG  47          2HB       ARG  47   1.293 -17.369  -1.352
  330   2HB   ARG  47          1HB       ARG  47   0.809 -16.994   0.335
  331   1HG   ARG  47          2HG       ARG  47  -0.728 -15.250  -0.428
  332   2HG   ARG  47          1HG       ARG  47  -0.321 -15.559  -2.140
  333   1HD   ARG  47          2HD       ARG  47  -1.531 -17.694  -0.252
  334   2HD   ARG  47          1HD       ARG  47  -2.537 -16.613  -1.281
  335    HE   ARG  47           HE       ARG  47  -0.793 -18.841  -2.189
  336   1HH1  ARG  47          1HH1      ARG  47  -2.905 -16.116  -3.254
  337   2HH1  ARG  47          2HH1      ARG  47  -2.576 -16.470  -4.929
  338   1HH2  ARG  47          1HH2      ARG  47  -0.658 -19.326  -4.417
  339   2HH2  ARG  47          2HH2      ARG  47  -1.779 -18.554  -5.503
  340    H    ASP  48           H        ASP  48   2.262 -15.000   1.866
  341    HA   ASP  48           HA       ASP  48   4.889 -16.158   2.159
  342   1HB   ASP  48          2HB       ASP  48   4.193 -14.120   3.422
  343   2HB   ASP  48          1HB       ASP  48   2.859 -15.058   4.176
  344    H    LEU  49           H        LEU  49   4.568 -18.325   1.470
  345    HA   LEU  49           HA       LEU  49   2.458 -19.915   2.244
  346   1HB   LEU  49          2HB       LEU  49   5.258 -20.461   1.190
  347   2HB   LEU  49          1HB       LEU  49   4.219 -21.816   1.705
  348    HG   LEU  49           HG       LEU  49   2.427 -21.079   0.144
  349   1HD1  LEU  49          1HD1      LEU  49   3.036 -18.714  -0.314
  350   2HD1  LEU  49          2HD1      LEU  49   3.088 -19.671  -1.834
  351   3HD1  LEU  49          3HD1      LEU  49   4.624 -19.235  -1.008
  352   1HD2  LEU  49          1HD2      LEU  49   3.543 -22.094  -1.824
  353   2HD2  LEU  49          2HD2      LEU  49   4.015 -22.955  -0.311
  354   3HD2  LEU  49          3HD2      LEU  49   5.158 -21.793  -1.087
  355    H    LYS  50           H        LYS  50   5.124 -18.941   4.167
  356    HA   LYS  50           HA       LYS  50   5.482 -21.338   5.560
  357   1HB   LYS  50          2HB       LYS  50   6.251 -18.572   6.552
  358   2HB   LYS  50          1HB       LYS  50   7.021 -20.139   6.943
  359   1HG   LYS  50          2HG       LYS  50   7.082 -18.582   4.315
  360   2HG   LYS  50          1HG       LYS  50   8.422 -18.783   5.456
  361   1HD   LYS  50          2HD       LYS  50   7.161 -21.168   3.953
  362   2HD   LYS  50          1HD       LYS  50   8.389 -20.093   3.244
  363   1HE   LYS  50          2HE       LYS  50   9.594 -21.964   3.970
  364   2HE   LYS  50          1HE       LYS  50   9.986 -20.671   5.168
  365   1HZ   LYS  50          1HZ       LYS  50   8.656 -21.710   6.755
  366   2HZ   LYS  50          2HZ       LYS  50   9.440 -22.987   5.996
  367   3HZ   LYS  50          3HZ       LYS  50   7.835 -22.679   5.607
  368    H    TRP  51           H        TRP  51   3.252 -18.660   6.135
  369    HA   TRP  51           HA       TRP  51   2.656 -19.680   8.759
  370   1HB   TRP  51          2HB       TRP  51   1.143 -17.980   9.075
  371   2HB   TRP  51          1HB       TRP  51   2.520 -17.256   8.190
  372    HD1  TRP  51           HD       TRP  51   1.890 -16.131   5.801
  373    HE1  TRP  51           1HE      TRP  51  -0.366 -15.746   4.587
  374    HE3  TRP  51           3HE      TRP  51  -1.153 -18.857   8.806
  375    HZ2  TRP  51           2HZ      TRP  51  -3.073 -16.182   5.100
  376    HZ3  TRP  51           3HZ      TRP  51  -3.557 -18.844   8.392
  377    HH2  TRP  51           HH       TRP  51  -4.514 -17.537   6.563
  378    H    TRP  52           H        TRP  52   1.292 -19.944   5.546
  379    HA   TRP  52           HA       TRP  52  -1.105 -21.174   6.237
  380   1HB   TRP  52          2HB       TRP  52   0.624 -21.361   3.710
  381   2HB   TRP  52          1HB       TRP  52  -0.997 -22.118   3.849
  382    HD1  TRP  52           HD       TRP  52   0.566 -18.670   3.218
  383    HE1  TRP  52           1HE      TRP  52  -1.338 -17.058   2.676
  384    HE3  TRP  52           3HE      TRP  52  -3.364 -21.699   4.284
  385    HZ2  TRP  52           2HZ      TRP  52  -4.155 -17.201   2.345
  386    HZ3  TRP  52           3HZ      TRP  52  -5.629 -20.917   3.792
  387    HH2  TRP  52           HH       TRP  52  -6.022 -18.705   2.855
  388    H    GLU  53           H        GLU  53   1.911 -22.740   5.103
  389    HA   GLU  53           HA       GLU  53   0.664 -25.308   5.625
  390   1HB   GLU  53          2HB       GLU  53   1.947 -24.514   3.470
  391   2HB   GLU  53          1HB       GLU  53   3.401 -24.890   4.417
  392   1HG   GLU  53          2HG       GLU  53   2.999 -26.882   3.239
  393   2HG   GLU  53          1HG       GLU  53   2.249 -27.275   4.818
  394    H    LEU  54           H        LEU  54   1.114 -24.015   7.982
  395    HA   LEU  54           HA       LEU  54   3.499 -25.244   9.136
  396   1HB   LEU  54          2HB       LEU  54   2.814 -22.733   9.217
  397   2HB   LEU  54          1HB       LEU  54   1.632 -23.222  10.455
  398    HG   LEU  54           HG       LEU  54   4.641 -23.884  10.584
  399   1HD1  LEU  54          1HD1      LEU  54   3.249 -21.403  11.770
  400   2HD1  LEU  54          2HD1      LEU  54   4.303 -21.409  10.310
  401   3HD1  LEU  54          3HD1      LEU  54   4.995 -21.851  11.915
  402   1HD2  LEU  54          1HD2      LEU  54   2.487 -23.645  12.791
  403   2HD2  LEU  54          2HD2      LEU  54   4.231 -23.974  13.081
  404   3HD2  LEU  54          3HD2      LEU  54   3.211 -25.180  12.196
  Start of MODEL   17
    1   1H    VAL   1          1HT       VAL   1   8.434  19.915   6.175
    2   2H    VAL   1          2HT       VAL   1   7.239  18.728   5.944
    3   3H    VAL   1          3HT       VAL   1   7.382  19.451   7.416
    4    HA   VAL   1           HA       VAL   1   6.836  21.609   6.366
    5    HB   VAL   1           HB       VAL   1   5.719  21.635   4.233
    6   1HG1  VAL   1          1HG1      VAL   1   8.471  20.249   3.996
    7   2HG1  VAL   1          2HG1      VAL   1   8.209  21.999   4.356
    8   3HG1  VAL   1          3HG1      VAL   1   7.663  21.301   2.793
    9   1HG2  VAL   1          1HG2      VAL   1   5.683  19.725   2.714
   10   2HG2  VAL   1          2HG2      VAL   1   4.802  19.257   4.204
   11   3HG2  VAL   1          3HG2      VAL   1   6.478  18.657   3.910
   12    H    VAL   2           H        VAL   2   4.683  22.444   6.658
   13    HA   VAL   2           HA       VAL   2   2.937  20.428   7.812
   14    HB   VAL   2           HB       VAL   2   3.420  22.156   9.268
   15   1HG1  VAL   2          1HG1      VAL   2   3.861  24.061   7.737
   16   2HG1  VAL   2          2HG1      VAL   2   2.608  24.465   8.955
   17   3HG1  VAL   2          3HG1      VAL   2   2.116  24.110   7.265
   18   1HG2  VAL   2          1HG2      VAL   2   0.499  22.234   8.269
   19   2HG2  VAL   2          2HG2      VAL   2   1.094  22.658   9.910
   20   3HG2  VAL   2          3HG2      VAL   2   1.225  20.963   9.326
   21    H    SER   3           H        SER   3   1.768  19.393   6.402
   22    HA   SER   3           HA       SER   3   0.193  20.993   4.503
   23   1HB   SER   3          2HB       SER   3   1.973  19.462   3.440
   24   2HB   SER   3          1HB       SER   3   1.052  18.081   4.095
   25    HG   SER   3           HG       SER   3   0.385  18.509   2.035
   26    H    HIS   4           H        HIS   4  -1.814  19.696   3.869
   27    HA   HIS   4           HA       HIS   4  -3.016  18.568   6.310
   28   1HB   HIS   4          2HB       HIS   4  -3.973  20.649   4.778
   29   2HB   HIS   4          1HB       HIS   4  -4.786  19.290   3.981
   30    HD1  HIS   4           1HD      HIS   4  -4.222  20.778   7.426
   31    HD2  HIS   4           2HD      HIS   4  -7.220  18.778   5.311
   32    HE1  HIS   4           1HE      HIS   4  -6.223  20.641   8.963
   33    HE2  HIS   4           2HE      HIS   4  -8.040  19.556   7.636
   34    H    PHE   5           H        PHE   5  -4.248  16.576   6.055
   35    HA   PHE   5           HA       PHE   5  -2.857  14.890   4.153
   36   1HB   PHE   5          2HB       PHE   5  -2.748  14.310   6.531
   37   2HB   PHE   5          1HB       PHE   5  -4.530  14.389   6.660
   38    HD1  PHE   5           1HD      PHE   5  -5.862  12.602   6.072
   39    HD2  PHE   5           2HD      PHE   5  -1.696  12.403   5.226
   40    HE1  PHE   5           1HE      PHE   5  -6.056  10.196   5.668
   41    HE2  PHE   5           2HE      PHE   5  -1.894  10.015   4.828
   42    HZ   PHE   5           HZ       PHE   5  -4.059   8.891   5.061
   43    H    ASN   6           H        ASN   6  -3.787  13.807   2.523
   44    HA   ASN   6           HA       ASN   6  -6.670  13.717   2.302
   45   1HB   ASN   6          2HB       ASN   6  -4.764  14.719   0.085
   46   2HB   ASN   6          1HB       ASN   6  -6.497  14.305  -0.180
   47   1HD2  ASN   6          1HD2      ASN   6  -8.059  15.489   1.426
   48   2HD2  ASN   6          2HD2      ASN   6  -7.709  17.171   1.713
   49    H    ASP   7           H        ASP   7  -7.126  12.181   0.327
   50    HA   ASP   7           HA       ASP   7  -5.529   9.851   0.923
   51   1HB   ASP   7          2HB       ASP   7  -8.066  10.039   1.122
   52   2HB   ASP   7          1HB       ASP   7  -8.128  10.114  -0.676
   53    H    CYS   8           H        CYS   8  -5.434   8.260  -0.917
   54    HA   CYS   8           HA       CYS   8  -3.682   9.285  -2.878
   55   1HB   CYS   8          2HB       CYS   8  -3.453   7.125  -1.683
   56   2HB   CYS   8          1HB       CYS   8  -4.915   6.514  -2.484
   57    HA   PRO   9           HA       PRO   9  -6.687   9.823  -6.054
   58   1HB   PRO   9          2HB       PRO   9  -4.514   8.567  -7.831
   59   2HB   PRO   9          1HB       PRO   9  -5.574   9.980  -8.226
   60   1HG   PRO   9          2HG       PRO   9  -3.029  10.416  -7.339
   61   2HG   PRO   9          1HG       PRO   9  -4.384  11.378  -6.602
   62   1HD   PRO   9          2HD       PRO   9  -2.982   8.911  -5.458
   63   2HD   PRO   9          1HD       PRO   9  -3.544  10.439  -4.630
   64    H    LEU  10           H        LEU  10  -7.724   8.802  -8.017
   65    HA   LEU  10           HA       LEU  10  -9.162   6.676  -7.357
   66   1HB   LEU  10          2HB       LEU  10  -8.331   7.699 -10.117
   67   2HB   LEU  10          1HB       LEU  10  -9.672   6.538  -9.880
   68    HG   LEU  10           HG       LEU  10  -9.641   9.297  -8.555
   69   1HD1  LEU  10          1HD1      LEU  10 -10.916   8.454 -11.234
   70   2HD1  LEU  10          2HD1      LEU  10  -9.517   9.577 -11.029
   71   3HD1  LEU  10          3HD1      LEU  10 -11.141  10.034 -10.395
   72   1HD2  LEU  10          1HD2      LEU  10 -11.192   7.590  -7.532
   73   2HD2  LEU  10          2HD2      LEU  10 -11.920   7.294  -9.154
   74   3HD2  LEU  10          3HD2      LEU  10 -12.093   8.906  -8.367
   75    H    SER  11           H        SER  11  -6.172   6.467  -9.253
   76    HA   SER  11           HA       SER  11  -6.394   3.562  -9.365
   77   1HB   SER  11          2HB       SER  11  -4.181   5.459 -10.305
   78   2HB   SER  11          1HB       SER  11  -4.157   3.670 -10.496
   79    HG   SER  11           HG       SER  11  -4.888   4.809 -12.328
   80    H    HIS  12           H        HIS  12  -6.448   3.473  -6.881
   81    HA   HIS  12           HA       HIS  12  -4.091   4.418  -5.609
   82   1HB   HIS  12          2HB       HIS  12  -5.083   4.190  -3.641
   83   2HB   HIS  12          1HB       HIS  12  -6.545   4.218  -4.648
   84    HD1  HIS  12           1HD      HIS  12  -8.072   2.226  -4.265
   85    HD2  HIS  12           2HD      HIS  12  -4.253   1.563  -2.681
   86    HE1  HIS  12           1HE      HIS  12  -8.162   0.030  -2.999
   87    HE2  HIS  12           2HE      HIS  12  -5.914  -0.252  -1.943
   88    H    ASP  13           H        ASP  13  -5.304   1.214  -6.560
   89    HA   ASP  13           HA       ASP  13  -2.796   0.031  -5.676
   90   1HB   ASP  13          2HB       ASP  13  -3.916  -2.013  -5.568
   91   2HB   ASP  13          1HB       ASP  13  -5.069  -0.815  -4.911
   92    H    GLY  14           H        GLY  14  -2.720   1.801  -7.851
   93   1HA   GLY  14          2HA       GLY  14  -2.959   0.508 -10.329
   94   2HA   GLY  14          1HA       GLY  14  -2.098   2.032  -9.945
   95    H    TYR  15           H        TYR  15   0.066   1.727  -8.845
   96    HA   TYR  15           HA       TYR  15   1.581  -0.211 -10.376
   97   1HB   TYR  15          2HB       TYR  15   2.253   2.219 -10.211
   98   2HB   TYR  15          1HB       TYR  15   2.488   1.995  -8.446
   99    HD1  TYR  15           1HD      TYR  15   3.469   0.244 -11.639
  100    HD2  TYR  15           2HD      TYR  15   4.679   1.769  -7.862
  101    HE1  TYR  15           1HE      TYR  15   5.754  -0.462 -12.096
  102    HE2  TYR  15           2HE      TYR  15   6.981   1.089  -8.325
  103    HH   TYR  15           HH       TYR  15   7.858  -0.669 -11.277
  104    H    CYS  16           H        CYS  16   0.377   0.361  -7.164
  105    HA   CYS  16           HA       CYS  16   2.149  -1.527  -5.930
  106   1HB   CYS  16          2HB       CYS  16  -0.244  -0.008  -4.779
  107   2HB   CYS  16          1HB       CYS  16   1.031  -0.875  -3.849
  108    H    LEU  17           H        LEU  17   1.792  -3.643  -5.845
  109    HA   LEU  17           HA       LEU  17  -0.627  -4.601  -7.009
  110   1HB   LEU  17          2HB       LEU  17   2.121  -5.624  -6.431
  111   2HB   LEU  17          1HB       LEU  17   0.853  -6.862  -6.483
  112    HG   LEU  17           HG       LEU  17   2.059  -6.550  -8.618
  113   1HD1  LEU  17          1HD1      LEU  17  -0.148  -7.655  -8.504
  114   2HD1  LEU  17          2HD1      LEU  17   0.070  -6.770 -10.049
  115   3HD1  LEU  17          3HD1      LEU  17  -0.982  -6.071  -8.768
  116   1HD2  LEU  17          1HD2      LEU  17   0.486  -3.911  -8.920
  117   2HD2  LEU  17          2HD2      LEU  17   1.589  -4.685 -10.121
  118   3HD2  LEU  17          3HD2      LEU  17   2.247  -4.034  -8.568
  119    H    HIS  18           H        HIS  18  -1.757  -6.445  -6.360
  120    HA   HIS  18           HA       HIS  18  -2.968  -7.647  -5.127
  121   1HB   HIS  18          2HB       HIS  18  -0.483  -8.233  -4.297
  122   2HB   HIS  18          1HB       HIS  18  -1.141  -7.728  -2.727
  123    HD1  HIS  18           1HD      HIS  18  -0.592 -10.633  -4.523
  124    HD2  HIS  18           2HD      HIS  18  -4.122  -9.155  -2.832
  125    HE1  HIS  18           1HE      HIS  18  -2.202 -12.584  -4.371
  126    HE2  HIS  18           2HE      HIS  18  -4.333 -11.648  -3.398
  127    H    ASP  19           H        ASP  19  -3.570  -4.952  -5.018
  128    HA   ASP  19           HA       ASP  19  -4.771  -3.458  -4.015
  129   1HB   ASP  19          2HB       ASP  19  -5.551  -5.685  -2.083
  130   2HB   ASP  19          1HB       ASP  19  -6.148  -4.006  -1.926
  131    H    GLY  20           H        GLY  20  -2.441  -2.721  -3.841
  132   1HA   GLY  20          2HA       GLY  20  -1.311  -2.698  -1.263
  133   2HA   GLY  20          1HA       GLY  20  -0.822  -1.763  -2.710
  134    H    VAL  21           H        VAL  21  -1.031  -1.108   0.285
  135    HA   VAL  21           HA       VAL  21  -3.232   0.698   0.381
  136    HB   VAL  21           HB       VAL  21  -1.121   0.155   2.473
  137   1HG1  VAL  21          1HG1      VAL  21  -3.989   1.339   2.556
  138   2HG1  VAL  21          2HG1      VAL  21  -2.464   2.257   2.847
  139   3HG1  VAL  21          3HG1      VAL  21  -2.967   0.959   3.985
  140   1HG2  VAL  21          1HG2      VAL  21  -2.893  -1.388   3.413
  141   2HG2  VAL  21          2HG2      VAL  21  -2.195  -1.994   1.877
  142   3HG2  VAL  21          3HG2      VAL  21  -3.826  -1.217   1.884
  143    H    CYS  22           H        CYS  22  -2.711   2.247  -1.135
  144    HA   CYS  22           HA       CYS  22  -0.321   3.778  -1.026
  145   1HB   CYS  22          2HB       CYS  22  -1.622   3.419  -3.097
  146   2HB   CYS  22          1HB       CYS  22  -3.034   4.215  -2.357
  147    H    MET  23           H        MET  23   0.197   5.483   0.259
  148    HA   MET  23           HA       MET  23  -1.990   7.142   1.231
  149   1HB   MET  23          2HB       MET  23   0.295   6.202   3.026
  150   2HB   MET  23          1HB       MET  23  -1.004   7.362   3.456
  151   1HG   MET  23          2HG       MET  23  -2.701   5.546   3.075
  152   2HG   MET  23          1HG       MET  23  -1.372   4.385   2.805
  153   1HE   MET  23          1HE       MET  23   0.110   3.378   4.417
  154   2HE   MET  23          2HE       MET  23   0.320   3.821   6.144
  155   3HE   MET  23          3HE       MET  23   0.865   4.949   4.864
  156    H    TYR  24           H        TYR  24  -1.427   9.214   1.800
  157    HA   TYR  24           HA       TYR  24   1.001  10.282   0.601
  158   1HB   TYR  24          2HB       TYR  24  -1.104  11.340  -0.059
  159   2HB   TYR  24          1HB       TYR  24  -1.631  11.449   1.657
  160    HD1  TYR  24           1HD      TYR  24   1.186  12.631  -0.553
  161    HD2  TYR  24           2HD      TYR  24  -1.557  13.418   2.596
  162    HE1  TYR  24           1HE      TYR  24   1.906  14.954  -0.521
  163    HE2  TYR  24           2HE      TYR  24  -0.873  15.748   2.627
  164    HH   TYR  24           HH       TYR  24   1.693  17.001   0.505
  165    H    ILE  25           H        ILE  25   2.602  11.365   1.833
  166    HA   ILE  25           HA       ILE  25   2.306  11.215   4.741
  167    HB   ILE  25           HB       ILE  25   4.770  11.314   2.960
  168   1HG1  ILE  25          2HG1      ILE  25   5.206   9.173   4.473
  169   2HG1  ILE  25          1HG1      ILE  25   3.428   9.102   4.583
  170   1HG2  ILE  25          1HG2      ILE  25   5.976  11.143   5.174
  171   2HG2  ILE  25          2HG2      ILE  25   4.400  11.353   6.030
  172   3HG2  ILE  25          3HG2      ILE  25   5.075  12.683   5.005
  173   1HD1  ILE  25          1HD1      ILE  25   4.406   7.662   2.745
  174   2HD1  ILE  25          2HD1      ILE  25   5.069   9.133   1.945
  175   3HD1  ILE  25          3HD1      ILE  25   3.291   8.893   2.073
  176    H    GLU  26           H        GLU  26   1.534  13.158   5.428
  177    HA   GLU  26           HA       GLU  26   1.545  15.365   3.720
  178   1HB   GLU  26          2HB       GLU  26   0.026  16.280   5.145
  179   2HB   GLU  26          1HB       GLU  26  -0.236  14.546   5.417
  180   1HG   GLU  26          2HG       GLU  26   1.262  16.527   7.239
  181   2HG   GLU  26          1HG       GLU  26  -0.366  15.845   7.495
  182    H    ALA  27           H        ALA  27   3.383  14.487   6.555
  183    HA   ALA  27           HA       ALA  27   4.584  16.900   7.063
  184   1HB   ALA  27          1HB       ALA  27   5.689  14.057   7.494
  185   2HB   ALA  27          2HB       ALA  27   4.557  14.919   8.591
  186   3HB   ALA  27          3HB       ALA  27   6.228  15.544   8.360
  187    H    LEU  28           H        LEU  28   5.508  14.504   4.656
  188    HA   LEU  28           HA       LEU  28   7.932  16.101   4.070
  189   1HB   LEU  28          2HB       LEU  28   7.384  13.152   3.493
  190   2HB   LEU  28          1HB       LEU  28   8.914  14.046   3.215
  191    HG   LEU  28           HG       LEU  28   7.620  13.443   5.933
  192   1HD1  LEU  28          1HD1      LEU  28  10.178  12.350   4.616
  193   2HD1  LEU  28          2HD1      LEU  28   8.623  11.453   4.826
  194   3HD1  LEU  28          3HD1      LEU  28   9.575  11.961   6.274
  195   1HD2  LEU  28          1HD2      LEU  28   8.801  15.616   6.096
  196   2HD2  LEU  28          2HD2      LEU  28  10.255  14.912   5.297
  197   3HD2  LEU  28          3HD2      LEU  28   9.742  14.337   6.928
  198    H    ASP  29           H        ASP  29   4.866  15.498   2.896
  199    HA   ASP  29           HA       ASP  29   3.838  15.772   1.076
  200   1HB   ASP  29          2HB       ASP  29   5.074  17.975   1.337
  201   2HB   ASP  29          1HB       ASP  29   6.185  17.438   0.035
  202    H    LYS  30           H        LYS  30   5.076  13.402   1.289
  203    HA   LYS  30           HA       LYS  30   5.774  12.683  -1.474
  204   1HB   LYS  30          2HB       LYS  30   6.639  11.277   1.113
  205   2HB   LYS  30          1HB       LYS  30   7.113  10.818  -0.548
  206   1HG   LYS  30          2HG       LYS  30   7.975  13.303   1.003
  207   2HG   LYS  30          1HG       LYS  30   8.964  11.883   0.540
  208   1HD   LYS  30          2HD       LYS  30   8.564  12.483  -1.905
  209   2HD   LYS  30          1HD       LYS  30   7.663  13.929  -1.332
  210   1HE   LYS  30          2HE       LYS  30   9.759  14.736  -0.127
  211   2HE   LYS  30          1HE       LYS  30  10.673  13.371  -0.889
  212   1HZ   LYS  30          1HZ       LYS  30  10.897  15.349  -2.212
  213   2HZ   LYS  30          2HZ       LYS  30   9.211  15.559  -2.283
  214   3HZ   LYS  30          3HZ       LYS  30   9.911  14.274  -3.073
  215    H    TYR  31           H        TYR  31   5.458  10.280  -1.846
  216    HA   TYR  31           HA       TYR  31   2.910   9.400  -0.668
  217   1HB   TYR  31          2HB       TYR  31   3.916   9.426  -3.566
  218   2HB   TYR  31          1HB       TYR  31   2.795   8.127  -3.039
  219    HD1  TYR  31           1HD      TYR  31   0.617   8.572  -2.322
  220    HD2  TYR  31           2HD      TYR  31   3.114  11.738  -3.614
  221    HE1  TYR  31           1HE      TYR  31  -1.369  10.033  -2.570
  222    HE2  TYR  31           2HE      TYR  31   1.157  13.202  -3.857
  223    HH   TYR  31           HH       TYR  31  -1.015  13.448  -3.278
  224    H    ALA  32           H        ALA  32   2.642   7.122  -0.458
  225    HA   ALA  32           HA       ALA  32   4.814   5.496  -1.345
  226   1HB   ALA  32          1HB       ALA  32   5.240   4.417   0.909
  227   2HB   ALA  32          2HB       ALA  32   4.039   5.540   1.652
  228   3HB   ALA  32          3HB       ALA  32   5.585   6.176   0.993
  229    H    CYS  33           H        CYS  33   4.340   3.116  -0.805
  230    HA   CYS  33           HA       CYS  33   1.500   2.640  -0.278
  231   1HB   CYS  33          2HB       CYS  33   3.322   1.150  -2.233
  232   2HB   CYS  33          1HB       CYS  33   1.822   0.433  -1.577
  233    H    ASN  34           H        ASN  34   1.136   1.351   1.406
  234    HA   ASN  34           HA       ASN  34   3.436  -0.001   2.603
  235   1HB   ASN  34          2HB       ASN  34   1.923   1.711   3.886
  236   2HB   ASN  34          1HB       ASN  34   0.684   0.412   3.901
  237   1HD2  ASN  34          1HD2      ASN  34   0.803  -0.636   5.920
  238   2HD2  ASN  34          2HD2      ASN  34   2.290  -1.102   6.698
  239    H    CYS  35           H        CYS  35   3.374  -2.252   2.966
  240    HA   CYS  35           HA       CYS  35   1.379  -3.596   1.288
  241   1HB   CYS  35          2HB       CYS  35   4.086  -4.571   2.317
  242   2HB   CYS  35          1HB       CYS  35   2.962  -5.492   1.269
  243    H    VAL  36           H        VAL  36   0.431  -5.561   1.986
  244    HA   VAL  36           HA       VAL  36  -0.128  -5.599   4.798
  245    HB   VAL  36           HB       VAL  36  -1.134  -7.323   2.537
  246   1HG1  VAL  36          1HG1      VAL  36  -2.203  -6.943   5.414
  247   2HG1  VAL  36          2HG1      VAL  36  -1.637  -8.485   4.640
  248   3HG1  VAL  36          3HG1      VAL  36  -3.120  -7.681   4.060
  249   1HG2  VAL  36          1HG2      VAL  36  -3.144  -5.806   2.665
  250   2HG2  VAL  36          2HG2      VAL  36  -1.690  -4.876   2.200
  251   3HG2  VAL  36          3HG2      VAL  36  -2.309  -4.792   3.891
  252    H    VAL  37           H        VAL  37  -0.115  -7.648   5.990
  253    HA   VAL  37           HA       VAL  37   2.511  -8.717   5.900
  254    HB   VAL  37           HB       VAL  37   1.502  -7.991   7.943
  255   1HG1  VAL  37          1HG1      VAL  37  -0.893  -8.615   7.513
  256   2HG1  VAL  37          2HG1      VAL  37  -0.277  -9.301   9.054
  257   3HG1  VAL  37          3HG1      VAL  37  -0.454 -10.361   7.617
  258   1HG2  VAL  37          1HG2      VAL  37   2.187  -9.889   9.327
  259   2HG2  VAL  37          2HG2      VAL  37   3.317  -9.719   7.940
  260   3HG2  VAL  37          3HG2      VAL  37   2.064 -11.027   7.940
  261    H    GLY  38           H        GLY  38   3.220 -10.716   5.428
  262   1HA   GLY  38          2HA       GLY  38   3.197 -12.804   4.726
  263   2HA   GLY  38          1HA       GLY  38   1.403 -12.803   4.677
  264    H    TYR  39           H        TYR  39   2.989 -10.215   3.065
  265    HA   TYR  39           HA       TYR  39   2.664 -11.568   0.479
  266   1HB   TYR  39          2HB       TYR  39   2.055  -8.642   1.199
  267   2HB   TYR  39          1HB       TYR  39   2.142  -9.284  -0.488
  268    HD1  TYR  39           1HD      TYR  39   0.359  -9.570   2.740
  269    HD2  TYR  39           2HD      TYR  39   0.368 -10.542  -1.387
  270    HE1  TYR  39           1HE      TYR  39  -1.908 -10.409   2.954
  271    HE2  TYR  39           2HE      TYR  39  -1.956 -11.319  -1.203
  272    HH   TYR  39           HH       TYR  39  -3.725 -11.079   1.858
  273    H    ILE  40           H        ILE  40   4.254 -11.368  -0.976
  274    HA   ILE  40           HA       ILE  40   6.744 -10.193   0.017
  275    HB   ILE  40           HB       ILE  40   7.863 -12.312  -0.787
  276   1HG1  ILE  40          2HG1      ILE  40   4.992 -13.406  -0.552
  277   2HG1  ILE  40          1HG1      ILE  40   5.869 -13.125  -2.097
  278   1HG2  ILE  40          1HG2      ILE  40   7.511 -13.400   1.375
  279   2HG2  ILE  40          2HG2      ILE  40   5.982 -12.492   1.641
  280   3HG2  ILE  40          3HG2      ILE  40   7.566 -11.621   1.601
  281   1HD1  ILE  40          1HD1      ILE  40   6.731 -15.074   0.146
  282   2HD1  ILE  40          2HD1      ILE  40   7.650 -14.753  -1.372
  283   3HD1  ILE  40          3HD1      ILE  40   6.012 -15.502  -1.443
  284    H    GLY  41           H        GLY  41   8.483 -10.237  -1.534
  285   1HA   GLY  41          2HA       GLY  41   9.250  -9.918  -3.679
  286   2HA   GLY  41          1HA       GLY  41   7.575  -9.568  -4.245
  287    H    GLU  42           H        GLU  42   9.904  -7.784  -4.629
  288    HA   GLU  42           HA       GLU  42   9.946  -5.839  -2.668
  289   1HB   GLU  42          2HB       GLU  42  11.069  -4.435  -4.334
  290   2HB   GLU  42          1HB       GLU  42  11.768  -6.056  -4.179
  291   1HG   GLU  42          2HG       GLU  42   9.830  -5.278  -6.456
  292   2HG   GLU  42          1HG       GLU  42  11.604  -5.090  -6.533
  293    H    ARG  43           H        ARG  43   7.842  -6.300  -5.350
  294    HA   ARG  43           HA       ARG  43   6.414  -3.779  -4.989
  295   1HB   ARG  43          2HB       ARG  43   7.160  -4.348  -7.169
  296   2HB   ARG  43          1HB       ARG  43   6.601  -6.040  -7.018
  297   1HG   ARG  43          2HG       ARG  43   4.347  -5.478  -7.343
  298   2HG   ARG  43          1HG       ARG  43   4.587  -3.740  -6.992
  299   1HD   ARG  43          2HD       ARG  43   4.201  -4.319  -9.449
  300   2HD   ARG  43          1HD       ARG  43   5.672  -3.308  -9.104
  301    HE   ARG  43           HE       ARG  43   6.748  -5.845  -9.052
  302   1HH1  ARG  43          1HH1      ARG  43   4.809  -4.136 -11.595
  303   2HH1  ARG  43          2HH1      ARG  43   5.730  -4.993 -12.822
  304   1HH2  ARG  43          1HH2      ARG  43   7.764  -6.806 -10.694
  305   2HH2  ARG  43          2HH2      ARG  43   7.354  -6.429 -12.362
  306    H    CYS  44           H        CYS  44   6.358  -6.666  -3.434
  307    HA   CYS  44           HA       CYS  44   4.953  -7.808  -2.290
  308   1HB   CYS  44          2HB       CYS  44   3.209  -5.329  -2.302
  309   2HB   CYS  44          1HB       CYS  44   3.138  -6.664  -1.117
  310    H    GLN  45           H        GLN  45   4.701  -8.347  -4.998
  311    HA   GLN  45           HA       GLN  45   2.068  -8.464  -5.855
  312   1HB   GLN  45          2HB       GLN  45   4.365 -10.346  -6.590
  313   2HB   GLN  45          1HB       GLN  45   2.917  -9.980  -7.585
  314   1HG   GLN  45          2HG       GLN  45   3.713  -7.700  -8.021
  315   2HG   GLN  45          1HG       GLN  45   5.064  -7.884  -6.841
  316   1HE2  GLN  45          1HE2      GLN  45   3.741  -9.448  -9.842
  317   2HE2  GLN  45          2HE2      GLN  45   5.315  -9.845 -10.479
  318    H    TYR  46           H        TYR  46   4.017 -10.991  -4.190
  319    HA   TYR  46           HA       TYR  46   1.876 -12.877  -4.788
  320   1HB   TYR  46          2HB       TYR  46   4.660 -13.506  -3.697
  321   2HB   TYR  46          1HB       TYR  46   3.508 -14.626  -4.499
  322    HD1  TYR  46           1HD      TYR  46   2.863 -14.006  -6.933
  323    HD2  TYR  46           2HD      TYR  46   6.292 -12.506  -4.923
  324    HE1  TYR  46           1HE      TYR  46   3.903 -13.516  -9.085
  325    HE2  TYR  46           2HE      TYR  46   7.339 -11.998  -7.066
  326    HH   TYR  46           HH       TYR  46   5.680 -12.728 -10.144
  327    H    ARG  47           H        ARG  47   1.306 -14.515  -3.223
  328    HA   ARG  47           HA       ARG  47   1.382 -13.597  -0.446
  329   1HB   ARG  47          2HB       ARG  47  -0.119 -15.749  -2.005
  330   2HB   ARG  47          1HB       ARG  47  -0.041 -15.815  -0.226
  331   1HG   ARG  47          2HG       ARG  47  -1.082 -13.630   0.001
  332   2HG   ARG  47          1HG       ARG  47  -1.225 -13.469  -1.790
  333   1HD   ARG  47          2HD       ARG  47  -2.745 -15.403  -1.895
  334   2HD   ARG  47          1HD       ARG  47  -2.480 -15.770  -0.140
  335    HE   ARG  47           HE       ARG  47  -3.420 -13.148  -0.087
  336   1HH1  ARG  47          1HH1      ARG  47  -4.707 -16.313  -1.286
  337   2HH1  ARG  47          2HH1      ARG  47  -6.280 -15.920  -0.638
  338   1HH2  ARG  47          1HH2      ARG  47  -5.662 -12.741   0.514
  339   2HH2  ARG  47          2HH2      ARG  47  -6.802 -14.001   0.188
  340    H    ASP  48           H        ASP  48   2.565 -14.602   1.118
  341    HA   ASP  48           HA       ASP  48   4.172 -16.893   0.481
  342   1HB   ASP  48          2HB       ASP  48   4.947 -15.107   2.039
  343   2HB   ASP  48          1HB       ASP  48   3.583 -15.498   3.157
  344    H    LEU  49           H        LEU  49   3.419 -18.926   0.486
  345    HA   LEU  49           HA       LEU  49   0.657 -19.273   0.979
  346   1HB   LEU  49          2HB       LEU  49   2.882 -20.776  -0.316
  347   2HB   LEU  49          1HB       LEU  49   1.575 -21.791   0.333
  348    HG   LEU  49           HG       LEU  49  -0.122 -20.534  -0.916
  349   1HD1  LEU  49          1HD1      LEU  49   0.522 -19.063  -2.818
  350   2HD1  LEU  49          2HD1      LEU  49   2.246 -19.102  -2.276
  351   3HD1  LEU  49          3HD1      LEU  49   0.982 -18.317  -1.243
  352   1HD2  LEU  49          1HD2      LEU  49   2.175 -21.683  -2.620
  353   2HD2  LEU  49          2HD2      LEU  49   0.452 -21.517  -3.132
  354   3HD2  LEU  49          3HD2      LEU  49   0.889 -22.635  -1.787
  355    H    LYS  50           H        LYS  50   3.485 -20.263   2.812
  356    HA   LYS  50           HA       LYS  50   2.516 -22.614   3.737
  357   1HB   LYS  50          2HB       LYS  50   4.561 -20.793   5.088
  358   2HB   LYS  50          1HB       LYS  50   4.244 -22.491   5.520
  359   1HG   LYS  50          2HG       LYS  50   5.968 -22.927   4.161
  360   2HG   LYS  50          1HG       LYS  50   4.671 -22.971   2.939
  361   1HD   LYS  50          2HD       LYS  50   6.431 -21.729   1.974
  362   2HD   LYS  50          1HD       LYS  50   5.249 -20.474   2.458
  363   1HE   LYS  50          2HE       LYS  50   6.660 -20.034   4.558
  364   2HE   LYS  50          1HE       LYS  50   7.841 -21.269   3.961
  365   1HZ   LYS  50          1HZ       LYS  50   7.065 -18.720   2.653
  366   2HZ   LYS  50          2HZ       LYS  50   7.993 -19.905   1.898
  367   3HZ   LYS  50          3HZ       LYS  50   8.573 -19.134   3.299
  368    H    TRP  51           H        TRP  51   1.793 -19.475   5.168
  369    HA   TRP  51           HA       TRP  51   0.956 -20.676   7.623
  370   1HB   TRP  51          2HB       TRP  51   0.317 -18.456   8.303
  371   2HB   TRP  51          1HB       TRP  51   1.953 -18.461   7.552
  372    HD1  TRP  51           HD       TRP  51   2.172 -17.019   5.189
  373    HE1  TRP  51           1HE      TRP  51   0.548 -15.291   4.142
  374    HE3  TRP  51           3HE      TRP  51  -2.008 -17.873   7.948
  375    HZ2  TRP  51           2HZ      TRP  51  -1.870 -14.081   4.748
  376    HZ3  TRP  51           3HZ      TRP  51  -3.981 -16.473   7.556
  377    HH2  TRP  51           HH       TRP  51  -3.913 -14.613   5.990
  378    H    TRP  52           H        TRP  52  -0.620 -19.878   4.643
  379    HA   TRP  52           HA       TRP  52  -3.293 -20.089   5.590
  380   1HB   TRP  52          2HB       TRP  52  -2.117 -20.590   2.795
  381   2HB   TRP  52          1HB       TRP  52  -3.868 -20.491   3.172
  382    HD1  TRP  52           HD       TRP  52  -0.763 -18.197   2.793
  383    HE1  TRP  52           1HE      TRP  52  -1.610 -15.803   2.525
  384    HE3  TRP  52           3HE      TRP  52  -5.668 -18.987   3.844
  385    HZ2  TRP  52           2HZ      TRP  52  -4.097 -14.447   2.600
  386    HZ3  TRP  52           3HZ      TRP  52  -7.217 -17.102   3.758
  387    HH2  TRP  52           HH       TRP  52  -6.454 -14.868   3.150
  388    H    GLU  53           H        GLU  53  -1.085 -22.341   3.947
  389    HA   GLU  53           HA       GLU  53  -2.895 -24.558   4.455
  390   1HB   GLU  53          2HB       GLU  53  -0.356 -24.259   2.819
  391   2HB   GLU  53          1HB       GLU  53  -1.177 -25.826   3.095
  392   1HG   GLU  53          2HG       GLU  53  -3.299 -24.947   2.156
  393   2HG   GLU  53          1HG       GLU  53  -2.527 -23.357   1.831
  394    H    LEU  54           H        LEU  54  -2.392 -23.698   6.775
  395    HA   LEU  54           HA       LEU  54  -0.863 -25.837   7.982
  396   1HB   LEU  54          2HB       LEU  54   0.505 -23.724   8.232
  397   2HB   LEU  54          1HB       LEU  54  -0.941 -22.901   8.885
  398    HG   LEU  54           HG       LEU  54  -0.958 -24.507  10.820
  399   1HD1  LEU  54          1HD1      LEU  54   1.087 -25.875  11.299
  400   2HD1  LEU  54          2HD1      LEU  54   1.727 -25.489   9.657
  401   3HD1  LEU  54          3HD1      LEU  54   0.222 -26.464   9.835
  402   1HD2  LEU  54          1HD2      LEU  54   1.665 -22.950  10.419
  403   2HD2  LEU  54          2HD2      LEU  54   0.996 -23.513  11.998
  404   3HD2  LEU  54          3HD2      LEU  54   0.100 -22.282  11.034
  Start of MODEL   18
    1   1H    VAL   1          1HT       VAL   1   8.074  14.184   7.385
    2   2H    VAL   1          2HT       VAL   1   9.569  13.671   7.916
    3   3H    VAL   1          3HT       VAL   1   8.770  14.887   8.741
    4    HA   VAL   1           HA       VAL   1   8.702  12.090   9.033
    5    HB   VAL   1           HB       VAL   1   7.562  12.452  11.113
    6   1HG1  VAL   1          1HG1      VAL   1   9.210  13.884  12.195
    7   2HG1  VAL   1          2HG1      VAL   1   9.702  14.623  10.641
    8   3HG1  VAL   1          3HG1      VAL   1  10.022  12.874  10.949
    9   1HG2  VAL   1          1HG2      VAL   1   6.876  14.740  11.825
   10   2HG2  VAL   1          2HG2      VAL   1   5.866  14.150  10.471
   11   3HG2  VAL   1          3HG2      VAL   1   7.151  15.375  10.175
   12    H    VAL   2           H        VAL   2   6.892  10.622   9.457
   13    HA   VAL   2           HA       VAL   2   4.905  11.004   7.434
   14    HB   VAL   2           HB       VAL   2   5.570   8.654   9.207
   15   1HG1  VAL   2          1HG1      VAL   2   4.206   7.370   7.519
   16   2HG1  VAL   2          2HG1      VAL   2   3.662   8.921   6.779
   17   3HG1  VAL   2          3HG1      VAL   2   3.192   8.495   8.469
   18   1HG2  VAL   2          1HG2      VAL   2   7.404   9.258   7.589
   19   2HG2  VAL   2          2HG2      VAL   2   6.198   9.297   6.243
   20   3HG2  VAL   2          3HG2      VAL   2   6.561   7.757   7.090
   21    H    SER   3           H        SER   3   2.894  11.569   7.707
   22    HA   SER   3           HA       SER   3   1.500  10.910  10.167
   23   1HB   SER   3          2HB       SER   3   1.277  13.572   8.634
   24   2HB   SER   3          1HB       SER   3   0.061  12.995   9.832
   25    HG   SER   3           HG       SER   3   1.686  14.461  10.609
   26    H    HIS   4           H        HIS   4  -0.944  10.869   9.538
   27    HA   HIS   4           HA       HIS   4  -1.020   9.377   7.096
   28   1HB   HIS   4          2HB       HIS   4  -2.107   8.890   9.470
   29   2HB   HIS   4          1HB       HIS   4  -3.455   9.862   8.836
   30    HD1  HIS   4           1HD      HIS   4  -1.263   6.867   7.831
   31    HD2  HIS   4           2HD      HIS   4  -5.229   8.193   7.384
   32    HE1  HIS   4           1HE      HIS   4  -2.516   5.023   6.725
   33    HE2  HIS   4           2HE      HIS   4  -4.871   5.826   6.418
   34    H    PHE   5           H        PHE   5  -1.835   9.905   5.164
   35    HA   PHE   5           HA       PHE   5  -3.525  12.290   4.988
   36   1HB   PHE   5          2HB       PHE   5  -1.183  11.582   3.122
   37   2HB   PHE   5          1HB       PHE   5  -2.348  12.934   2.893
   38    HD1  PHE   5           1HD      PHE   5  -2.258  14.898   4.307
   39    HD2  PHE   5           2HD      PHE   5   0.488  11.699   4.809
   40    HE1  PHE   5           1HE      PHE   5  -0.822  16.343   5.663
   41    HE2  PHE   5           2HE      PHE   5   1.914  13.128   6.182
   42    HZ   PHE   5           HZ       PHE   5   1.266  15.468   6.615
   43    H    ASN   6           H        ASN   6  -4.722  12.426   3.006
   44    HA   ASN   6           HA       ASN   6  -5.603   9.752   2.109
   45   1HB   ASN   6          2HB       ASN   6  -7.020  12.438   2.568
   46   2HB   ASN   6          1HB       ASN   6  -7.815  11.073   1.717
   47   1HD2  ASN   6          1HD2      ASN   6  -8.750   9.427   2.932
   48   2HD2  ASN   6          2HD2      ASN   6  -8.782   9.455   4.674
   49    H    ASP   7           H        ASP   7  -4.570   9.511   0.072
   50    HA   ASP   7           HA       ASP   7  -6.064  10.883  -1.850
   51   1HB   ASP   7          2HB       ASP   7  -4.044  12.507  -1.313
   52   2HB   ASP   7          1HB       ASP   7  -3.047  11.335  -2.210
   53    H    CYS   8           H        CYS   8  -6.765   8.890  -2.632
   54    HA   CYS   8           HA       CYS   8  -4.766   7.538  -4.166
   55   1HB   CYS   8          2HB       CYS   8  -4.750   6.580  -1.749
   56   2HB   CYS   8          1HB       CYS   8  -6.270   5.780  -2.182
   57    HA   PRO   9           HA       PRO   9  -8.797   6.996  -6.098
   58   1HB   PRO   9          2HB       PRO   9  -8.010   6.592  -8.703
   59   2HB   PRO   9          1HB       PRO   9  -7.971   8.226  -7.931
   60   1HG   PRO   9          2HG       PRO   9  -5.649   6.243  -8.230
   61   2HG   PRO   9          1HG       PRO   9  -5.675   8.006  -8.664
   62   1HD   PRO   9          2HD       PRO   9  -4.707   7.045  -6.230
   63   2HD   PRO   9          1HD       PRO   9  -5.565   8.655  -6.350
   64    H    LEU  10           H        LEU  10  -9.980   5.180  -6.236
   65    HA   LEU  10           HA       LEU  10  -8.776   2.602  -6.378
   66   1HB   LEU  10          2HB       LEU  10 -11.673   3.565  -6.619
   67   2HB   LEU  10          1HB       LEU  10 -11.183   1.855  -6.710
   68    HG   LEU  10           HG       LEU  10 -12.054   2.243  -4.577
   69   1HD1  LEU  10          1HD1      LEU  10 -10.254   1.476  -3.099
   70   2HD1  LEU  10          2HD1      LEU  10  -8.997   2.078  -4.232
   71   3HD1  LEU  10          3HD1      LEU  10 -10.069   0.711  -4.727
   72   1HD2  LEU  10          1HD2      LEU  10 -11.277   3.807  -2.892
   73   2HD2  LEU  10          2HD2      LEU  10 -11.737   4.721  -4.373
   74   3HD2  LEU  10          3HD2      LEU  10  -9.994   4.445  -3.973
   75    H    SER  11           H        SER  11 -10.084   4.896  -8.624
   76    HA   SER  11           HA       SER  11 -10.129   3.144 -10.849
   77   1HB   SER  11          2HB       SER  11 -11.457   5.351 -10.542
   78   2HB   SER  11          1HB       SER  11  -9.956   6.189 -11.032
   79    HG   SER  11           HG       SER  11 -11.667   4.472 -12.436
   80    H    HIS  12           H        HIS  12  -8.857   4.128 -12.856
   81    HA   HIS  12           HA       HIS  12  -7.259   2.408 -13.215
   82   1HB   HIS  12          2HB       HIS  12  -7.453   4.491 -14.679
   83   2HB   HIS  12          1HB       HIS  12  -5.981   5.099 -13.914
   84    HD1  HIS  12           1HD      HIS  12  -4.299   2.265 -14.119
   85    HD2  HIS  12           2HD      HIS  12  -6.489   4.198 -17.144
   86    HE1  HIS  12           1HE      HIS  12  -3.353   1.516 -16.281
   87    HE2  HIS  12           2HE      HIS  12  -4.634   2.747 -18.094
   88    H    ASP  13           H        ASP  13  -6.248   1.286 -11.593
   89    HA   ASP  13           HA       ASP  13  -4.256   2.370 -10.001
   90   1HB   ASP  13          2HB       ASP  13  -3.975  -0.068  -9.352
   91   2HB   ASP  13          1HB       ASP  13  -5.634   0.598  -9.189
   92    H    GLY  14           H        GLY  14  -2.050   1.590  -9.833
   93   1HA   GLY  14          2HA       GLY  14  -0.752   0.863 -12.308
   94   2HA   GLY  14          1HA       GLY  14  -0.622   2.595 -11.826
   95    H    TYR  15           H        TYR  15   0.054   2.842  -9.372
   96    HA   TYR  15           HA       TYR  15   2.532   1.481  -9.197
   97   1HB   TYR  15          2HB       TYR  15   2.226   3.877  -8.554
   98   2HB   TYR  15          1HB       TYR  15   1.121   3.376  -7.250
   99    HD1  TYR  15           1HD      TYR  15   2.255   4.149  -5.428
  100    HD2  TYR  15           2HD      TYR  15   4.395   1.751  -8.215
  101    HE1  TYR  15           1HE      TYR  15   4.102   3.924  -3.833
  102    HE2  TYR  15           2HE      TYR  15   6.189   1.471  -6.608
  103    HH   TYR  15           HH       TYR  15   7.037   2.113  -4.612
  104    H    CYS  16           H        CYS  16  -0.510   1.369  -7.237
  105    HA   CYS  16           HA       CYS  16   0.802  -0.615  -5.560
  106   1HB   CYS  16          2HB       CYS  16  -1.962   0.606  -5.210
  107   2HB   CYS  16          1HB       CYS  16  -1.031  -0.362  -4.019
  108    H    LEU  17           H        LEU  17   0.124  -2.665  -5.281
  109    HA   LEU  17           HA       LEU  17  -1.768  -3.716  -7.266
  110   1HB   LEU  17          2HB       LEU  17   0.422  -5.203  -5.728
  111   2HB   LEU  17          1HB       LEU  17  -0.695  -5.882  -6.951
  112    HG   LEU  17           HG       LEU  17   1.235  -5.705  -8.115
  113   1HD1  LEU  17          1HD1      LEU  17  -0.614  -4.526  -9.357
  114   2HD1  LEU  17          2HD1      LEU  17   1.047  -4.031  -9.852
  115   3HD1  LEU  17          3HD1      LEU  17   0.064  -2.953  -8.799
  116   1HD2  LEU  17          1HD2      LEU  17   2.615  -4.512  -6.432
  117   2HD2  LEU  17          2HD2      LEU  17   1.906  -2.935  -6.955
  118   3HD2  LEU  17          3HD2      LEU  17   2.896  -3.896  -8.103
  119    H    HIS  18           H        HIS  18  -3.140  -5.346  -6.560
  120    HA   HIS  18           HA       HIS  18  -4.926  -5.875  -5.359
  121   1HB   HIS  18          2HB       HIS  18  -2.737  -6.289  -3.288
  122   2HB   HIS  18          1HB       HIS  18  -4.426  -6.782  -2.962
  123    HD1  HIS  18           1HD      HIS  18  -5.571  -8.408  -4.677
  124    HD2  HIS  18           2HD      HIS  18  -1.401  -8.526  -4.334
  125    HE1  HIS  18           1HE      HIS  18  -4.819 -10.635  -5.604
  126    HE2  HIS  18           2HE      HIS  18  -2.356 -10.755  -5.194
  127    H    ASP  19           H        ASP  19  -4.793  -3.055  -5.443
  128    HA   ASP  19           HA       ASP  19  -5.604  -1.291  -4.555
  129   1HB   ASP  19          2HB       ASP  19  -7.474  -3.180  -3.060
  130   2HB   ASP  19          1HB       ASP  19  -7.740  -1.418  -3.326
  131    H    GLY  20           H        GLY  20  -3.307  -1.543  -3.491
  132   1HA   GLY  20          2HA       GLY  20  -3.285  -1.415  -0.686
  133   2HA   GLY  20          1HA       GLY  20  -2.019  -0.837  -1.824
  134    H    VAL  21           H        VAL  21  -2.163   0.525   0.449
  135    HA   VAL  21           HA       VAL  21  -4.074   2.681   0.182
  136    HB   VAL  21           HB       VAL  21  -2.197   1.922   2.441
  137   1HG1  VAL  21          1HG1      VAL  21  -4.510   3.978   2.250
  138   2HG1  VAL  21          2HG1      VAL  21  -2.757   4.362   2.477
  139   3HG1  VAL  21          3HG1      VAL  21  -3.657   3.494   3.759
  140   1HG2  VAL  21          1HG2      VAL  21  -4.337   1.169   3.545
  141   2HG2  VAL  21          2HG2      VAL  21  -3.907   0.165   2.124
  142   3HG2  VAL  21          3HG2      VAL  21  -5.205   1.411   1.987
  143    H    CYS  22           H        CYS  22  -3.243   4.160  -1.312
  144    HA   CYS  22           HA       CYS  22  -0.441   4.901  -0.952
  145   1HB   CYS  22          2HB       CYS  22  -0.365   5.711  -3.107
  146   2HB   CYS  22          1HB       CYS  22  -1.165   4.125  -3.154
  147    H    MET  23           H        MET  23   0.278   7.025  -0.688
  148    HA   MET  23           HA       MET  23  -1.584   9.112  -0.945
  149   1HB   MET  23          2HB       MET  23  -1.417  10.125   1.299
  150   2HB   MET  23          1HB       MET  23  -2.327   8.618   1.294
  151   1HG   MET  23          2HG       MET  23   0.640   8.460   1.977
  152   2HG   MET  23          1HG       MET  23  -0.464   9.240   3.131
  153   1HE   MET  23          1HE       MET  23   0.205   7.758   4.927
  154   2HE   MET  23          2HE       MET  23   1.297   6.775   3.896
  155   3HE   MET  23          3HE       MET  23   0.102   5.967   4.949
  156    H    TYR  24           H        TYR  24  -0.547  11.237  -0.259
  157    HA   TYR  24           HA       TYR  24   2.318  11.276  -0.851
  158   1HB   TYR  24          2HB       TYR  24   1.375  12.543  -2.592
  159   2HB   TYR  24          1HB       TYR  24  -0.093  12.909  -1.633
  160    HD1  TYR  24           1HD      TYR  24  -0.453  14.910  -0.820
  161    HD2  TYR  24           2HD      TYR  24   3.553  13.799  -1.754
  162    HE1  TYR  24           1HE      TYR  24   0.259  17.173  -0.399
  163    HE2  TYR  24           2HE      TYR  24   4.287  16.079  -1.325
  164    HH   TYR  24           HH       TYR  24   2.026  18.603  -0.193
  165    H    ILE  25           H        ILE  25   3.672  12.074   0.776
  166    HA   ILE  25           HA       ILE  25   2.329  12.697   3.271
  167    HB   ILE  25           HB       ILE  25   5.194  11.902   2.665
  168   1HG1  ILE  25          2HG1      ILE  25   3.798  10.024   1.999
  169   2HG1  ILE  25          1HG1      ILE  25   4.687   9.689   3.500
  170   1HG2  ILE  25          1HG2      ILE  25   5.129  11.389   5.157
  171   2HG2  ILE  25          2HG2      ILE  25   3.491  12.129   5.235
  172   3HG2  ILE  25          3HG2      ILE  25   4.922  13.148   4.787
  173   1HD1  ILE  25          1HD1      ILE  25   2.592  10.101   4.859
  174   2HD1  ILE  25          2HD1      ILE  25   2.397   8.793   3.648
  175   3HD1  ILE  25          3HD1      ILE  25   1.689  10.415   3.325
  176    H    GLU  26           H        GLU  26   2.110  14.860   3.578
  177    HA   GLU  26           HA       GLU  26   3.309  16.654   1.940
  178   1HB   GLU  26          2HB       GLU  26   1.960  17.091   4.649
  179   2HB   GLU  26          1HB       GLU  26   2.401  18.405   3.520
  180   1HG   GLU  26          2HG       GLU  26   1.006  17.374   1.732
  181   2HG   GLU  26          1HG       GLU  26   0.429  16.118   2.885
  182    H    ALA  27           H        ALA  27   4.428  15.955   5.297
  183    HA   ALA  27           HA       ALA  27   6.340  17.988   5.204
  184   1HB   ALA  27          1HB       ALA  27   6.317  15.418   6.872
  185   2HB   ALA  27          2HB       ALA  27   5.490  16.955   7.308
  186   3HB   ALA  27          3HB       ALA  27   7.281  16.909   7.217
  187    H    LEU  28           H        LEU  28   6.472  14.715   3.886
  188    HA   LEU  28           HA       LEU  28   9.354  14.876   3.645
  189   1HB   LEU  28          2HB       LEU  28   7.345  12.726   2.935
  190   2HB   LEU  28          1HB       LEU  28   9.007  12.718   2.284
  191    HG   LEU  28           HG       LEU  28   9.530  13.233   4.941
  192   1HD1  LEU  28          1HD1      LEU  28   7.167  12.797   5.605
  193   2HD1  LEU  28          2HD1      LEU  28   8.293  11.530   6.265
  194   3HD1  LEU  28          3HD1      LEU  28   7.259  11.155   4.843
  195   1HD2  LEU  28          1HD2      LEU  28  10.352  10.880   4.989
  196   2HD2  LEU  28          2HD2      LEU  28  10.761  11.702   3.440
  197   3HD2  LEU  28          3HD2      LEU  28   9.405  10.509   3.496
  198    H    ASP  29           H        ASP  29   6.503  15.543   1.764
  199    HA   ASP  29           HA       ASP  29   6.140  16.521  -0.103
  200   1HB   ASP  29          2HB       ASP  29   8.273  17.803   0.402
  201   2HB   ASP  29          1HB       ASP  29   9.139  16.675  -0.692
  202    H    LYS  30           H        LYS  30   6.978  13.549   0.321
  203    HA   LYS  30           HA       LYS  30   6.936  12.770  -2.510
  204   1HB   LYS  30          2HB       LYS  30   8.504  11.458  -0.218
  205   2HB   LYS  30          1HB       LYS  30   8.466  10.896  -1.917
  206   1HG   LYS  30          2HG       LYS  30   9.687  13.508  -0.880
  207   2HG   LYS  30          1HG       LYS  30  10.567  12.055  -1.442
  208   1HD   LYS  30          2HD       LYS  30   9.686  12.375  -3.753
  209   2HD   LYS  30          1HD       LYS  30   8.613  13.676  -3.149
  210   1HE   LYS  30          2HE       LYS  30  10.356  14.750  -4.343
  211   2HE   LYS  30          1HE       LYS  30  10.556  15.133  -2.591
  212   1HZ   LYS  30          1HZ       LYS  30  12.568  14.555  -3.921
  213   2HZ   LYS  30          2HZ       LYS  30  12.059  12.950  -3.959
  214   3HZ   LYS  30          3HZ       LYS  30  12.418  13.701  -2.478
  215    H    TYR  31           H        TYR  31   6.418  10.387  -2.775
  216    HA   TYR  31           HA       TYR  31   3.993   9.956  -1.186
  217   1HB   TYR  31          2HB       TYR  31   3.862   8.532  -3.693
  218   2HB   TYR  31          1HB       TYR  31   2.784   9.771  -3.021
  219    HD1  TYR  31           1HD      TYR  31   4.979   8.951  -5.592
  220    HD2  TYR  31           2HD      TYR  31   3.523  12.232  -3.346
  221    HE1  TYR  31           1HE      TYR  31   5.522  10.460  -7.453
  222    HE2  TYR  31           2HE      TYR  31   4.085  13.758  -5.181
  223    HH   TYR  31           HH       TYR  31   4.960  13.963  -7.251
  224    H    ALA  32           H        ALA  32   3.236   7.727  -0.980
  225    HA   ALA  32           HA       ALA  32   5.130   5.678  -1.543
  226   1HB   ALA  32          1HB       ALA  32   5.293   4.843   0.833
  227   2HB   ALA  32          2HB       ALA  32   4.342   6.274   1.384
  228   3HB   ALA  32          3HB       ALA  32   5.983   6.493   0.687
  229    H    CYS  33           H        CYS  33   4.212   3.479  -0.811
  230    HA   CYS  33           HA       CYS  33   1.308   3.585  -0.575
  231   1HB   CYS  33          2HB       CYS  33   2.075   3.007  -2.942
  232   2HB   CYS  33          1HB       CYS  33   2.716   1.479  -2.283
  233    H    ASN  34           H        ASN  34   0.515   2.458   1.055
  234    HA   ASN  34           HA       ASN  34   2.279   0.545   2.401
  235   1HB   ASN  34          2HB       ASN  34  -0.199   2.029   3.442
  236   2HB   ASN  34          1HB       ASN  34   0.735   0.802   4.365
  237   1HD2  ASN  34          1HD2      ASN  34   3.430   1.822   3.399
  238   2HD2  ASN  34          2HD2      ASN  34   3.647   3.337   4.205
  239    H    CYS  35           H        CYS  35   1.388  -1.443   3.154
  240    HA   CYS  35           HA       CYS  35  -0.094  -2.434   0.873
  241   1HB   CYS  35          2HB       CYS  35   1.734  -3.811   2.896
  242   2HB   CYS  35          1HB       CYS  35   1.055  -4.576   1.425
  243    H    VAL  36           H        VAL  36  -1.162  -4.530   1.038
  244    HA   VAL  36           HA       VAL  36  -3.007  -4.712   3.243
  245    HB   VAL  36           HB       VAL  36  -3.843  -6.661   1.810
  246   1HG1  VAL  36          1HG1      VAL  36  -4.966  -4.433   1.960
  247   2HG1  VAL  36          2HG1      VAL  36  -5.016  -5.065   0.274
  248   3HG1  VAL  36          3HG1      VAL  36  -3.857  -3.766   0.703
  249   1HG2  VAL  36          1HG2      VAL  36  -1.645  -6.810   0.433
  250   2HG2  VAL  36          2HG2      VAL  36  -2.158  -5.282  -0.383
  251   3HG2  VAL  36          3HG2      VAL  36  -3.177  -6.747  -0.504
  252    H    VAL  37           H        VAL  37  -3.298  -6.737   4.363
  253    HA   VAL  37           HA       VAL  37  -0.806  -7.610   5.299
  254    HB   VAL  37           HB       VAL  37  -2.643  -7.105   6.719
  255   1HG1  VAL  37          1HG1      VAL  37  -4.568  -8.614   6.981
  256   2HG1  VAL  37          2HG1      VAL  37  -4.018  -9.645   5.624
  257   3HG1  VAL  37          3HG1      VAL  37  -4.553  -7.948   5.316
  258   1HG2  VAL  37          1HG2      VAL  37  -0.822  -8.640   7.491
  259   2HG2  VAL  37          2HG2      VAL  37  -1.806 -10.065   6.967
  260   3HG2  VAL  37          3HG2      VAL  37  -2.404  -8.983   8.269
  261    H    GLY  38           H        GLY  38   0.318  -9.451   5.134
  262   1HA   GLY  38          2HA       GLY  38   0.581 -11.672   4.847
  263   2HA   GLY  38          1HA       GLY  38  -0.880 -11.761   3.806
  264    H    TYR  39           H        TYR  39   1.777  -9.429   3.493
  265    HA   TYR  39           HA       TYR  39   2.639 -10.652   1.036
  266   1HB   TYR  39          2HB       TYR  39   1.186  -7.935   1.091
  267   2HB   TYR  39          1HB       TYR  39   2.201  -8.511  -0.287
  268    HD1  TYR  39           1HD      TYR  39  -1.020  -8.782   1.359
  269    HD2  TYR  39           2HD      TYR  39   1.553 -10.453  -1.583
  270    HE1  TYR  39           1HE      TYR  39  -2.937  -9.858   0.301
  271    HE2  TYR  39           2HE      TYR  39  -0.369 -11.556  -2.631
  272    HH   TYR  39           HH       TYR  39  -3.624 -10.777  -1.684
  273    H    ILE  40           H        ILE  40   4.605 -10.003   0.395
  274    HA   ILE  40           HA       ILE  40   5.991  -7.970   1.954
  275    HB   ILE  40           HB       ILE  40   7.997  -9.436   2.023
  276   1HG1  ILE  40          2HG1      ILE  40   5.979 -11.588   1.156
  277   2HG1  ILE  40          1HG1      ILE  40   7.451 -11.049   0.277
  278   1HG2  ILE  40          1HG2      ILE  40   7.251 -10.572   4.054
  279   2HG2  ILE  40          2HG2      ILE  40   5.525 -10.417   3.569
  280   3HG2  ILE  40          3HG2      ILE  40   6.491  -8.949   3.953
  281   1HD1  ILE  40          1HD1      ILE  40   7.917 -13.173   1.390
  282   2HD1  ILE  40          2HD1      ILE  40   7.387 -12.531   2.977
  283   3HD1  ILE  40          3HD1      ILE  40   8.871 -11.870   2.202
  284    H    GLY  41           H        GLY  41   8.307  -7.694   0.875
  285   1HA   GLY  41          2HA       GLY  41   9.395  -7.124  -1.007
  286   2HA   GLY  41          1HA       GLY  41   7.940  -7.472  -2.009
  287    H    GLU  42           H        GLU  42   9.363  -5.127  -2.459
  288    HA   GLU  42           HA       GLU  42   8.683  -3.018  -0.817
  289   1HB   GLU  42          2HB       GLU  42  10.542  -3.011  -2.371
  290   2HB   GLU  42          1HB       GLU  42   9.443  -2.994  -3.773
  291   1HG   GLU  42          2HG       GLU  42   8.659  -0.727  -3.241
  292   2HG   GLU  42          1HG       GLU  42   9.397  -0.800  -1.608
  293    H    ARG  43           H        ARG  43   7.088  -3.988  -3.859
  294    HA   ARG  43           HA       ARG  43   4.849  -2.227  -3.129
  295   1HB   ARG  43          2HB       ARG  43   4.069  -2.581  -5.463
  296   2HB   ARG  43          1HB       ARG  43   5.592  -1.696  -5.291
  297   1HG   ARG  43          2HG       ARG  43   5.969  -4.650  -5.641
  298   2HG   ARG  43          1HG       ARG  43   5.136  -3.868  -6.995
  299   1HD   ARG  43          2HD       ARG  43   7.822  -2.810  -5.875
  300   2HD   ARG  43          1HD       ARG  43   7.675  -3.948  -7.278
  301    HE   ARG  43           HE       ARG  43   5.847  -1.850  -7.821
  302   1HH1  ARG  43          1HH1      ARG  43   9.446  -1.898  -7.371
  303   2HH1  ARG  43          2HH1      ARG  43   9.611  -0.565  -8.461
  304   1HH2  ARG  43          1HH2      ARG  43   6.168  -0.293  -9.167
  305   2HH2  ARG  43          2HH2      ARG  43   7.762   0.290  -9.627
  306    H    CYS  44           H        CYS  44   5.596  -4.932  -1.981
  307    HA   CYS  44           HA       CYS  44   4.590  -6.696  -1.236
  308   1HB   CYS  44          2HB       CYS  44   2.289  -4.740  -1.285
  309   2HB   CYS  44          1HB       CYS  44   2.299  -6.248  -0.319
  310    H    GLN  45           H        GLN  45   4.890  -7.463  -3.723
  311    HA   GLN  45           HA       GLN  45   2.317  -8.616  -4.533
  312   1HB   GLN  45          2HB       GLN  45   4.819  -7.821  -5.900
  313   2HB   GLN  45          1HB       GLN  45   4.188  -9.406  -6.439
  314   1HG   GLN  45          2HG       GLN  45   1.964  -8.429  -6.933
  315   2HG   GLN  45          1HG       GLN  45   2.524  -6.821  -6.338
  316   1HE2  GLN  45          1HE2      GLN  45   4.643  -6.091  -7.373
  317   2HE2  GLN  45          2HE2      GLN  45   4.693  -6.187  -9.129
  318    H    TYR  46           H        TYR  46   5.215  -9.509  -2.845
  319    HA   TYR  46           HA       TYR  46   5.063 -12.290  -3.609
  320   1HB   TYR  46          2HB       TYR  46   6.717 -10.724  -1.546
  321   2HB   TYR  46          1HB       TYR  46   6.879 -12.492  -1.825
  322    HD1  TYR  46           1HD      TYR  46   7.031  -9.245  -3.812
  323    HD2  TYR  46           2HD      TYR  46   8.653 -13.079  -2.959
  324    HE1  TYR  46           1HE      TYR  46   8.851  -8.797  -5.329
  325    HE2  TYR  46           2HE      TYR  46  10.518 -12.621  -4.464
  326    HH   TYR  46           HH       TYR  46  10.756  -9.556  -6.265
  327    H    ARG  47           H        ARG  47   4.538 -13.974  -1.977
  328    HA   ARG  47           HA       ARG  47   2.490 -12.909  -0.175
  329   1HB   ARG  47          2HB       ARG  47   2.858 -15.742  -1.243
  330   2HB   ARG  47          1HB       ARG  47   1.553 -15.164  -0.153
  331   1HG   ARG  47          2HG       ARG  47   1.013 -13.406  -1.948
  332   2HG   ARG  47          1HG       ARG  47   2.072 -14.310  -3.063
  333   1HD   ARG  47          2HD       ARG  47  -0.386 -15.506  -1.605
  334   2HD   ARG  47          1HD       ARG  47  -0.462 -14.766  -3.239
  335    HE   ARG  47           HE       ARG  47   0.779 -17.378  -2.519
  336   1HH1  ARG  47          1HH1      ARG  47   1.017 -14.845  -5.028
  337   2HH1  ARG  47          2HH1      ARG  47   1.329 -16.038  -6.227
  338   1HH2  ARG  47          1HH2      ARG  47   0.551 -18.826  -4.361
  339   2HH2  ARG  47          2HH2      ARG  47   0.707 -18.152  -5.939
  340    H    ASP  48           H        ASP  48   2.575 -13.118   1.967
  341    HA   ASP  48           HA       ASP  48   5.045 -14.111   3.073
  342   1HB   ASP  48          2HB       ASP  48   3.904 -11.837   3.597
  343   2HB   ASP  48          1HB       ASP  48   2.700 -12.773   4.546
  344    H    LEU  49           H        LEU  49   5.226 -16.125   3.923
  345    HA   LEU  49           HA       LEU  49   2.930 -17.749   3.473
  346   1HB   LEU  49          2HB       LEU  49   5.822 -18.473   4.078
  347   2HB   LEU  49          1HB       LEU  49   4.551 -19.622   3.551
  348    HG   LEU  49           HG       LEU  49   5.615 -17.254   1.912
  349   1HD1  LEU  49          1HD1      LEU  49   6.635 -19.031   0.485
  350   2HD1  LEU  49          2HD1      LEU  49   6.029 -20.295   1.620
  351   3HD1  LEU  49          3HD1      LEU  49   7.262 -19.106   2.177
  352   1HD2  LEU  49          1HD2      LEU  49   3.250 -17.668   1.296
  353   2HD2  LEU  49          2HD2      LEU  49   3.570 -19.445   1.174
  354   3HD2  LEU  49          3HD2      LEU  49   4.337 -18.300   0.012
  355    H    LYS  50           H        LYS  50   3.192 -16.153   6.074
  356    HA   LYS  50           HA       LYS  50   3.639 -17.806   8.179
  357   1HB   LYS  50          2HB       LYS  50   1.610 -15.509   7.906
  358   2HB   LYS  50          1HB       LYS  50   2.280 -16.133   9.451
  359   1HG   LYS  50          2HG       LYS  50   3.902 -14.733   7.222
  360   2HG   LYS  50          1HG       LYS  50   3.271 -14.003   8.717
  361   1HD   LYS  50          2HD       LYS  50   5.155 -14.580   9.796
  362   2HD   LYS  50          1HD       LYS  50   4.604 -16.272   9.661
  363   1HE   LYS  50          2HE       LYS  50   6.847 -16.282   8.871
  364   2HE   LYS  50          1HE       LYS  50   5.818 -16.416   7.390
  365   1HZ   LYS  50          1HZ       LYS  50   7.720 -14.818   7.316
  366   2HZ   LYS  50          2HZ       LYS  50   6.926 -13.830   8.409
  367   3HZ   LYS  50          3HZ       LYS  50   6.244 -14.147   6.888
  368    H    TRP  51           H        TRP  51   0.394 -17.073   6.827
  369    HA   TRP  51           HA       TRP  51  -0.688 -19.247   8.399
  370   1HB   TRP  51          2HB       TRP  51  -2.868 -18.533   7.386
  371   2HB   TRP  51          1HB       TRP  51  -2.023 -17.364   8.443
  372    HD1  TRP  51           HD       TRP  51  -1.498 -14.980   7.416
  373    HE1  TRP  51           1HE      TRP  51  -2.343 -13.839   5.255
  374    HE3  TRP  51           3HE      TRP  51  -3.099 -19.090   4.878
  375    HZ2  TRP  51           2HZ      TRP  51  -3.304 -14.611   2.754
  376    HZ3  TRP  51           3HZ      TRP  51  -3.913 -18.819   2.597
  377    HH2  TRP  51           HH       TRP  51  -4.035 -16.633   1.550
  378    H    TRP  52           H        TRP  52   0.309 -18.766   5.135
  379    HA   TRP  52           HA       TRP  52  -1.145 -20.618   3.791
  380   1HB   TRP  52          2HB       TRP  52   1.720 -19.631   3.451
  381   2HB   TRP  52          1HB       TRP  52   1.041 -20.837   2.324
  382    HD1  TRP  52           HD       TRP  52   0.830 -17.049   2.871
  383    HE1  TRP  52           1HE      TRP  52  -0.666 -16.106   1.019
  384    HE3  TRP  52           3HE      TRP  52  -0.993 -21.421   1.039
  385    HZ2  TRP  52           2HZ      TRP  52  -2.318 -17.113  -1.038
  386    HZ3  TRP  52           3HZ      TRP  52  -2.545 -21.357  -0.844
  387    HH2  TRP  52           HH       TRP  52  -3.207 -19.251  -1.862
  388    H    GLU  53           H        GLU  53   1.799 -21.390   5.650
  389    HA   GLU  53           HA       GLU  53   1.874 -24.021   4.560
  390   1HB   GLU  53          2HB       GLU  53   3.419 -22.834   6.899
  391   2HB   GLU  53          1HB       GLU  53   3.754 -24.390   6.077
  392   1HG   GLU  53          2HG       GLU  53   4.208 -23.127   3.922
  393   2HG   GLU  53          1HG       GLU  53   4.009 -21.582   4.830
  394    H    LEU  54           H        LEU  54  -0.570 -24.050   5.471
  395    HA   LEU  54           HA       LEU  54  -0.554 -25.543   7.979
  396   1HB   LEU  54          2HB       LEU  54  -2.305 -23.781   7.387
  397   2HB   LEU  54          1HB       LEU  54  -2.904 -24.887   6.127
  398    HG   LEU  54           HG       LEU  54  -4.211 -24.812   8.244
  399   1HD1  LEU  54          1HD1      LEU  54  -4.397 -26.833   6.827
  400   2HD1  LEU  54          2HD1      LEU  54  -4.588 -27.218   8.577
  401   3HD1  LEU  54          3HD1      LEU  54  -3.049 -27.615   7.746
  402   1HD2  LEU  54          1HD2      LEU  54  -3.459 -25.771  10.341
  403   2HD2  LEU  54          2HD2      LEU  54  -2.267 -24.515   9.830
  404   3HD2  LEU  54          3HD2      LEU  54  -1.881 -26.267   9.631
  Start of MODEL   19
    1   1H    VAL   1          1HT       VAL   1   7.385  20.578   7.004
    2   2H    VAL   1          2HT       VAL   1   6.995  19.165   6.206
    3   3H    VAL   1          3HT       VAL   1   6.498  19.408   7.808
    4    HA   VAL   1           HA       VAL   1   5.296  21.441   6.994
    5    HB   VAL   1           HB       VAL   1   5.512  19.859   4.409
    6   1HG1  VAL   1          1HG1      VAL   1   3.305  21.059   4.563
    7   2HG1  VAL   1          2HG1      VAL   1   4.393  21.842   3.381
    8   3HG1  VAL   1          3HG1      VAL   1   4.169  22.588   4.995
    9   1HG2  VAL   1          1HG2      VAL   1   7.666  21.034   4.836
   10   2HG2  VAL   1          2HG2      VAL   1   6.779  22.553   5.249
   11   3HG2  VAL   1          3HG2      VAL   1   6.739  21.900   3.580
   12    H    VAL   2           H        VAL   2   2.890  21.242   6.961
   13    HA   VAL   2           HA       VAL   2   2.314  18.848   8.376
   14    HB   VAL   2           HB       VAL   2   0.770  21.384   7.852
   15   1HG1  VAL   2          1HG1      VAL   2  -0.684  20.574   9.750
   16   2HG1  VAL   2          2HG1      VAL   2   0.134  18.972   9.678
   17   3HG1  VAL   2          3HG1      VAL   2  -0.875  19.548   8.293
   18   1HG2  VAL   2          1HG2      VAL   2   2.837  21.647   9.274
   19   2HG2  VAL   2          2HG2      VAL   2   2.304  20.261  10.293
   20   3HG2  VAL   2          3HG2      VAL   2   1.345  21.780  10.269
   21    H    SER   3           H        SER   3   1.434  17.082   7.618
   22    HA   SER   3           HA       SER   3  -0.283  17.198   5.257
   23   1HB   SER   3          2HB       SER   3   0.055  14.763   5.082
   24   2HB   SER   3          1HB       SER   3   1.573  15.684   4.908
   25    HG   SER   3           HG       SER   3   2.137  15.121   6.986
   26    H    HIS   4           H        HIS   4  -2.272  16.091   5.232
   27    HA   HIS   4           HA       HIS   4  -3.200  15.067   7.824
   28   1HB   HIS   4          2HB       HIS   4  -4.895  16.181   5.525
   29   2HB   HIS   4          1HB       HIS   4  -5.522  15.420   7.029
   30    HD1  HIS   4           1HD      HIS   4  -6.762  17.837   6.855
   31    HD2  HIS   4           2HD      HIS   4  -2.741  17.913   8.050
   32    HE1  HIS   4           1HE      HIS   4  -6.381  20.045   7.993
   33    HE2  HIS   4           2HE      HIS   4  -3.955  20.137   8.567
   34    H    PHE   5           H        PHE   5  -4.656  13.172   7.567
   35    HA   PHE   5           HA       PHE   5  -3.347  11.460   5.650
   36   1HB   PHE   5          2HB       PHE   5  -3.841  11.220   8.348
   37   2HB   PHE   5          1HB       PHE   5  -5.245  10.311   7.710
   38    HD1  PHE   5           1HD      PHE   5  -1.764  10.258   8.440
   39    HD2  PHE   5           2HD      PHE   5  -4.693   8.555   5.875
   40    HE1  PHE   5           1HE      PHE   5  -0.240   8.405   7.943
   41    HE2  PHE   5           2HE      PHE   5  -3.171   6.720   5.351
   42    HZ   PHE   5           HZ       PHE   5  -0.939   6.637   6.380
   43    H    ASN   6           H        ASN   6  -4.221  11.044   3.780
   44    HA   ASN   6           HA       ASN   6  -7.153  10.969   3.530
   45   1HB   ASN   6          2HB       ASN   6  -5.057  12.163   1.613
   46   2HB   ASN   6          1HB       ASN   6  -6.798  11.952   1.208
   47   1HD2  ASN   6          1HD2      ASN   6  -4.469  13.994   2.867
   48   2HD2  ASN   6          2HD2      ASN   6  -5.639  15.227   3.258
   49    H    ASP   7           H        ASP   7  -7.771   9.864   1.404
   50    HA   ASP   7           HA       ASP   7  -6.457   7.323   1.335
   51   1HB   ASP   7          2HB       ASP   7  -8.921   8.538  -0.057
   52   2HB   ASP   7          1HB       ASP   7  -8.369   6.849  -0.366
   53    H    CYS   8           H        CYS   8  -6.069   6.218  -0.723
   54    HA   CYS   8           HA       CYS   8  -4.070   7.653  -2.020
   55   1HB   CYS   8          2HB       CYS   8  -5.210   4.909  -2.747
   56   2HB   CYS   8          1HB       CYS   8  -3.602   5.542  -3.223
   57    HA   PRO   9           HA       PRO   9  -6.002   9.305  -5.366
   58   1HB   PRO   9          2HB       PRO   9  -3.997   7.932  -7.241
   59   2HB   PRO   9          1HB       PRO   9  -4.533   9.668  -7.259
   60   1HG   PRO   9          2HG       PRO   9  -2.157   9.004  -6.082
   61   2HG   PRO   9          1HG       PRO   9  -3.296  10.101  -5.181
   62   1HD   PRO   9          2HD       PRO   9  -2.937   7.061  -4.859
   63   2HD   PRO   9          1HD       PRO   9  -3.008   8.358  -3.581
   64    H    LEU  10           H        LEU  10  -7.517   9.210  -7.002
   65    HA   LEU  10           HA       LEU  10  -8.782   6.765  -7.465
   66   1HB   LEU  10          2HB       LEU  10  -9.876   8.990  -7.307
   67   2HB   LEU  10          1HB       LEU  10  -9.066   9.500  -8.809
   68    HG   LEU  10           HG       LEU  10 -10.349   7.808 -10.097
   69   1HD1  LEU  10          1HD1      LEU  10 -10.724   6.033  -8.394
   70   2HD1  LEU  10          2HD1      LEU  10 -12.301   6.631  -9.022
   71   3HD1  LEU  10          3HD1      LEU  10 -11.718   7.172  -7.404
   72   1HD2  LEU  10          1HD2      LEU  10 -11.223  10.127  -9.788
   73   2HD2  LEU  10          2HD2      LEU  10 -12.111   9.595  -8.313
   74   3HD2  LEU  10          3HD2      LEU  10 -12.559   8.920  -9.924
   75    H    SER  11           H        SER  11  -6.166   8.254  -9.091
   76    HA   SER  11           HA       SER  11  -6.553   7.163 -11.653
   77   1HB   SER  11          2HB       SER  11  -4.974   9.081 -10.898
   78   2HB   SER  11          1HB       SER  11  -3.830   7.798 -10.411
   79    HG   SER  11           HG       SER  11  -4.524   8.766 -12.857
   80    H    HIS  12           H        HIS  12  -4.830   5.565 -12.634
   81    HA   HIS  12           HA       HIS  12  -5.394   3.138 -11.263
   82   1HB   HIS  12          2HB       HIS  12  -3.677   3.692 -13.718
   83   2HB   HIS  12          1HB       HIS  12  -3.912   2.063 -13.044
   84    HD1  HIS  12           1HD      HIS  12  -5.445   0.807 -14.423
   85    HD2  HIS  12           2HD      HIS  12  -6.548   4.851 -14.310
   86    HE1  HIS  12           1HE      HIS  12  -7.406   1.058 -15.947
   87    HE2  HIS  12           2HE      HIS  12  -7.948   3.531 -15.982
   88    H    ASP  13           H        ASP  13  -4.262   1.898  -9.954
   89    HA   ASP  13           HA       ASP  13  -1.768   2.842  -8.955
   90   1HB   ASP  13          2HB       ASP  13  -3.477   0.369  -8.328
   91   2HB   ASP  13          1HB       ASP  13  -1.998   0.835  -7.411
   92    H    GLY  14           H        GLY  14   0.074   1.390  -8.621
   93   1HA   GLY  14          2HA       GLY  14   0.590  -0.701 -10.445
   94   2HA   GLY  14          1HA       GLY  14   1.229   0.881 -11.045
   95    H    TYR  15           H        TYR  15   1.952   2.052  -8.696
   96    HA   TYR  15           HA       TYR  15   4.370   0.995  -7.986
   97   1HB   TYR  15          2HB       TYR  15   4.349   2.757  -6.202
   98   2HB   TYR  15          1HB       TYR  15   3.981   3.336  -7.850
   99    HD1  TYR  15           1HD      TYR  15   2.739   2.941  -4.508
  100    HD2  TYR  15           2HD      TYR  15   1.674   3.853  -8.500
  101    HE1  TYR  15           1HE      TYR  15   0.572   3.810  -3.720
  102    HE2  TYR  15           2HE      TYR  15  -0.522   4.675  -7.737
  103    HH   TYR  15           HH       TYR  15  -2.028   4.232  -5.751
  104    H    CYS  16           H        CYS  16   1.282   0.832  -6.185
  105    HA   CYS  16           HA       CYS  16   2.246  -1.568  -4.869
  106   1HB   CYS  16          2HB       CYS  16   2.614   0.605  -3.454
  107   2HB   CYS  16          1HB       CYS  16   0.841   0.704  -3.342
  108    H    LEU  17           H        LEU  17   0.598  -3.103  -4.901
  109    HA   LEU  17           HA       LEU  17  -1.927  -2.138  -6.048
  110   1HB   LEU  17          2HB       LEU  17  -0.503  -4.834  -6.241
  111   2HB   LEU  17          1HB       LEU  17  -2.135  -4.516  -6.889
  112    HG   LEU  17           HG       LEU  17  -0.781  -4.503  -8.708
  113   1HD1  LEU  17          1HD1      LEU  17  -2.428  -2.610  -8.667
  114   2HD1  LEU  17          2HD1      LEU  17  -0.993  -2.286  -9.711
  115   3HD1  LEU  17          3HD1      LEU  17  -1.119  -1.506  -8.091
  116   1HD2  LEU  17          1HD2      LEU  17   1.302  -3.328  -9.078
  117   2HD2  LEU  17          2HD2      LEU  17   1.429  -4.281  -7.548
  118   3HD2  LEU  17          3HD2      LEU  17   1.198  -2.493  -7.490
  119    H    HIS  18           H        HIS  18  -3.777  -3.405  -5.742
  120    HA   HIS  18           HA       HIS  18  -5.357  -4.365  -4.634
  121   1HB   HIS  18          2HB       HIS  18  -4.020  -6.170  -5.682
  122   2HB   HIS  18          1HB       HIS  18  -3.135  -6.393  -4.146
  123    HD1  HIS  18           1HD      HIS  18  -6.870  -6.324  -5.138
  124    HD2  HIS  18           2HD      HIS  18  -4.216  -8.476  -2.703
  125    HE1  HIS  18           1HE      HIS  18  -8.184  -8.173  -4.117
  126    HE2  HIS  18           2HE      HIS  18  -6.568  -9.416  -2.573
  127    H    ASP  19           H        ASP  19  -4.978  -2.503  -2.874
  128    HA   ASP  19           HA       ASP  19  -5.605  -1.982  -0.903
  129   1HB   ASP  19          2HB       ASP  19  -7.173  -3.984  -1.218
  130   2HB   ASP  19          1HB       ASP  19  -6.076  -4.891  -0.120
  131    H    GLY  20           H        GLY  20  -2.985  -2.137  -1.505
  132   1HA   GLY  20          2HA       GLY  20  -1.636  -2.804   0.993
  133   2HA   GLY  20          1HA       GLY  20  -0.949  -2.079  -0.509
  134    H    VAL  21           H        VAL  21  -0.670  -1.086   2.346
  135    HA   VAL  21           HA       VAL  21  -2.558   1.049   2.527
  136    HB   VAL  21           HB       VAL  21  -0.239   0.286   4.316
  137   1HG1  VAL  21          1HG1      VAL  21  -1.000   2.647   4.666
  138   2HG1  VAL  21          2HG1      VAL  21  -1.540   1.597   6.017
  139   3HG1  VAL  21          3HG1      VAL  21  -2.716   2.088   4.746
  140   1HG2  VAL  21          1HG2      VAL  21  -2.073  -0.752   5.708
  141   2HG2  VAL  21          2HG2      VAL  21  -1.848  -1.600   4.144
  142   3HG2  VAL  21          3HG2      VAL  21  -3.238  -0.467   4.366
  143    H    CYS  22           H        CYS  22  -2.105   2.385   0.787
  144    HA   CYS  22           HA       CYS  22   0.559   3.391   0.429
  145   1HB   CYS  22          2HB       CYS  22  -0.621   4.567  -1.576
  146   2HB   CYS  22          1HB       CYS  22  -0.353   2.806  -1.572
  147    H    MET  23           H        MET  23   1.340   5.377   0.826
  148    HA   MET  23           HA       MET  23  -0.571   7.490   1.400
  149   1HB   MET  23          2HB       MET  23   0.662   8.204   3.415
  150   2HB   MET  23          1HB       MET  23  -0.318   6.726   3.574
  151   1HG   MET  23          2HG       MET  23   1.684   5.287   3.355
  152   2HG   MET  23          1HG       MET  23   2.733   6.723   3.218
  153   1HE   MET  23          1HE       MET  23   3.362   8.328   5.019
  154   2HE   MET  23          2HE       MET  23   2.700   8.374   6.687
  155   3HE   MET  23          3HE       MET  23   1.657   8.823   5.299
  156    H    TYR  24           H        TYR  24  -0.127   8.659  -0.316
  157    HA   TYR  24           HA       TYR  24   2.555   9.864  -0.437
  158   1HB   TYR  24          2HB       TYR  24   1.826   9.153  -2.704
  159   2HB   TYR  24          1HB       TYR  24   0.214   9.910  -2.429
  160    HD1  TYR  24           1HD      TYR  24  -0.128  11.725  -3.578
  161    HD2  TYR  24           2HD      TYR  24   3.815  11.067  -2.109
  162    HE1  TYR  24           1HE      TYR  24   0.539  13.883  -4.423
  163    HE2  TYR  24           2HE      TYR  24   4.504  13.220  -2.962
  164    HH   TYR  24           HH       TYR  24   2.174  15.398  -4.596
  165    H    ILE  25           H        ILE  25   2.787  11.874   0.535
  166    HA   ILE  25           HA       ILE  25   0.389  13.489   0.635
  167    HB   ILE  25           HB       ILE  25   1.471  14.338   2.870
  168   1HG1  ILE  25          2HG1      ILE  25   1.982  12.427   4.338
  169   2HG1  ILE  25          1HG1      ILE  25   2.050  11.307   2.957
  170   1HG2  ILE  25          1HG2      ILE  25  -0.899  13.682   2.451
  171   2HG2  ILE  25          2HG2      ILE  25  -0.315  12.949   3.987
  172   3HG2  ILE  25          3HG2      ILE  25  -0.441  11.938   2.514
  173   1HD1  ILE  25          1HD1      ILE  25   4.337  12.103   3.749
  174   2HD1  ILE  25          2HD1      ILE  25   3.845  13.800   3.339
  175   3HD1  ILE  25          3HD1      ILE  25   4.021  12.569   2.037
  176    H    GLU  26           H        GLU  26   0.561  15.439  -0.039
  177    HA   GLU  26           HA       GLU  26   2.797  16.111  -1.533
  178   1HB   GLU  26          2HB       GLU  26   0.541  16.740  -2.138
  179   2HB   GLU  26          1HB       GLU  26   0.300  17.641  -0.626
  180   1HG   GLU  26          2HG       GLU  26   2.448  18.483  -2.681
  181   2HG   GLU  26          1HG       GLU  26   0.722  18.909  -2.891
  182    H    ALA  27           H        ALA  27   1.863  17.118   1.725
  183    HA   ALA  27           HA       ALA  27   3.470  19.290   2.003
  184   1HB   ALA  27          1HB       ALA  27   3.322  18.785   4.460
  185   2HB   ALA  27          2HB       ALA  27   2.826  17.098   4.074
  186   3HB   ALA  27          3HB       ALA  27   1.747  18.477   3.643
  187    H    LEU  28           H        LEU  28   4.411  15.916   2.693
  188    HA   LEU  28           HA       LEU  28   7.112  16.834   3.250
  189   1HB   LEU  28          2HB       LEU  28   6.107  13.954   3.205
  190   2HB   LEU  28          1HB       LEU  28   7.646  14.568   3.875
  191    HG   LEU  28           HG       LEU  28   4.829  15.147   4.946
  192   1HD1  LEU  28          1HD1      LEU  28   7.195  13.576   6.145
  193   2HD1  LEU  28          2HD1      LEU  28   5.719  12.846   5.412
  194   3HD1  LEU  28          3HD1      LEU  28   5.584  13.838   6.909
  195   1HD2  LEU  28          1HD2      LEU  28   7.562  16.171   5.940
  196   2HD2  LEU  28          2HD2      LEU  28   6.021  16.282   6.860
  197   3HD2  LEU  28          3HD2      LEU  28   6.190  17.173   5.306
  198    H    ASP  29           H        ASP  29   5.290  15.430   0.657
  199    HA   ASP  29           HA       ASP  29   5.627  15.399  -1.424
  200   1HB   ASP  29          2HB       ASP  29   7.134  17.358  -0.936
  201   2HB   ASP  29          1HB       ASP  29   8.530  16.231  -1.034
  202    H    LYS  30           H        LYS  30   6.459  13.236   0.539
  203    HA   LYS  30           HA       LYS  30   7.601  11.351  -1.427
  204   1HB   LYS  30          2HB       LYS  30   7.927  11.395   1.635
  205   2HB   LYS  30          1HB       LYS  30   8.568  10.134   0.545
  206   1HG   LYS  30          2HG       LYS  30   9.498  13.043   0.747
  207   2HG   LYS  30          1HG       LYS  30  10.373  11.535   1.174
  208   1HD   LYS  30          2HD       LYS  30   9.979  10.864  -1.348
  209   2HD   LYS  30          1HD       LYS  30   9.600  12.595  -1.591
  210   1HE   LYS  30          2HE       LYS  30  12.274  11.410  -0.532
  211   2HE   LYS  30          1HE       LYS  30  11.957  12.030  -2.202
  212   1HZ   LYS  30          1HZ       LYS  30  12.009  13.583   0.335
  213   2HZ   LYS  30          2HZ       LYS  30  11.438  14.192  -1.168
  214   3HZ   LYS  30          3HZ       LYS  30  13.042  13.688  -0.990
  215    H    TYR  31           H        TYR  31   7.105   9.157  -1.181
  216    HA   TYR  31           HA       TYR  31   4.600   8.678   0.200
  217   1HB   TYR  31          2HB       TYR  31   3.689   7.289  -1.525
  218   2HB   TYR  31          1HB       TYR  31   3.920   8.989  -2.023
  219    HD1  TYR  31           1HD      TYR  31   3.152   7.349  -3.862
  220    HD2  TYR  31           2HD      TYR  31   7.156   7.904  -2.565
  221    HE1  TYR  31           1HE      TYR  31   3.940   6.728  -6.080
  222    HE2  TYR  31           2HE      TYR  31   7.966   7.227  -4.763
  223    HH   TYR  31           HH       TYR  31   7.231   6.064  -6.801
  224    H    ALA  32           H        ALA  32   4.035   6.528   0.685
  225    HA   ALA  32           HA       ALA  32   6.152   4.567   0.602
  226   1HB   ALA  32          1HB       ALA  32   6.520   5.715   2.813
  227   2HB   ALA  32          2HB       ALA  32   5.890   4.046   3.062
  228   3HB   ALA  32          3HB       ALA  32   4.785   5.467   3.224
  229    H    CYS  33           H        CYS  33   5.334   2.410   0.943
  230    HA   CYS  33           HA       CYS  33   2.441   2.231   1.197
  231   1HB   CYS  33          2HB       CYS  33   3.165   1.750  -1.232
  232   2HB   CYS  33          1HB       CYS  33   4.018   0.318  -0.598
  233    H    ASN  34           H        ASN  34   1.906   0.922   2.898
  234    HA   ASN  34           HA       ASN  34   4.011  -0.940   3.811
  235   1HB   ASN  34          2HB       ASN  34   1.780   0.381   5.443
  236   2HB   ASN  34          1HB       ASN  34   2.916  -0.874   6.060
  237   1HD2  ASN  34          1HD2      ASN  34   5.352   0.054   4.803
  238   2HD2  ASN  34          2HD2      ASN  34   5.750   1.590   5.529
  239    H    CYS  35           H        CYS  35   3.611  -3.038   3.989
  240    HA   CYS  35           HA       CYS  35   0.850  -3.905   3.428
  241   1HB   CYS  35          2HB       CYS  35   3.528  -4.937   2.426
  242   2HB   CYS  35          1HB       CYS  35   2.144  -6.058   2.573
  243    H    VAL  36           H        VAL  36   0.385  -6.082   4.135
  244    HA   VAL  36           HA       VAL  36   0.890  -6.341   6.931
  245    HB   VAL  36           HB       VAL  36  -0.749  -8.368   6.419
  246   1HG1  VAL  36          1HG1      VAL  36  -2.639  -6.768   6.600
  247   2HG1  VAL  36          2HG1      VAL  36  -1.557  -5.395   6.161
  248   3HG1  VAL  36          3HG1      VAL  36  -1.304  -6.292   7.706
  249   1HG2  VAL  36          1HG2      VAL  36  -2.026  -8.184   4.429
  250   2HG2  VAL  36          2HG2      VAL  36  -0.320  -8.097   3.868
  251   3HG2  VAL  36          3HG2      VAL  36  -1.335  -6.601   3.970
  252    H    VAL  37           H        VAL  37   1.126  -8.659   7.786
  253    HA   VAL  37           HA       VAL  37   3.591  -9.560   6.910
  254    HB   VAL  37           HB       VAL  37   1.638 -10.663   8.888
  255   1HG1  VAL  37          1HG1      VAL  37   4.453 -11.723   8.144
  256   2HG1  VAL  37          2HG1      VAL  37   2.903 -12.652   8.056
  257   3HG1  VAL  37          3HG1      VAL  37   3.558 -12.135   9.642
  258   1HG2  VAL  37          1HG2      VAL  37   3.464  -9.856  10.436
  259   2HG2  VAL  37          2HG2      VAL  37   2.869  -8.498   9.408
  260   3HG2  VAL  37          3HG2      VAL  37   4.424  -9.309   9.025
  261    H    GLY  38           H        GLY  38   4.211 -10.784   5.389
  262   1HA   GLY  38          2HA       GLY  38   4.357 -12.487   3.979
  263   2HA   GLY  38          1HA       GLY  38   2.824 -13.155   4.624
  264    H    TYR  39           H        TYR  39   3.104  -9.923   3.193
  265    HA   TYR  39           HA       TYR  39   2.143 -11.018   0.653
  266   1HB   TYR  39          2HB       TYR  39   1.111  -8.594   2.184
  267   2HB   TYR  39          1HB       TYR  39   1.142  -8.561   0.382
  268    HD1  TYR  39           1HD      TYR  39  -0.446 -10.150   3.299
  269    HD2  TYR  39           2HD      TYR  39  -0.062 -10.123  -0.932
  270    HE1  TYR  39           1HE      TYR  39  -2.461 -11.503   3.111
  271    HE2  TYR  39           2HE      TYR  39  -2.079 -11.493  -1.129
  272    HH   TYR  39           HH       TYR  39  -4.132 -12.137   1.573
  273    H    ILE  40           H        ILE  40   3.579 -10.832  -0.843
  274    HA   ILE  40           HA       ILE  40   5.969  -9.277  -0.152
  275    HB   ILE  40           HB       ILE  40   7.236 -11.150  -1.183
  276   1HG1  ILE  40          2HG1      ILE  40   4.603 -12.715  -0.967
  277   2HG1  ILE  40          1HG1      ILE  40   5.192 -12.012  -2.506
  278   1HG2  ILE  40          1HG2      ILE  40   7.017 -10.868   1.253
  279   2HG2  ILE  40          2HG2      ILE  40   7.042 -12.604   0.802
  280   3HG2  ILE  40          3HG2      ILE  40   5.484 -11.826   1.256
  281   1HD1  ILE  40          1HD1      ILE  40   6.650 -14.125  -0.794
  282   2HD1  ILE  40          2HD1      ILE  40   7.362 -13.317  -2.235
  283   3HD1  ILE  40          3HD1      ILE  40   5.901 -14.349  -2.415
  284    H    GLY  41           H        GLY  41   7.546  -9.060  -1.911
  285   1HA   GLY  41          2HA       GLY  41   8.009  -8.854  -4.154
  286   2HA   GLY  41          1HA       GLY  41   6.271  -8.562  -4.509
  287    H    GLU  42           H        GLU  42   8.264  -6.897  -5.480
  288    HA   GLU  42           HA       GLU  42   8.894  -4.698  -3.911
  289   1HB   GLU  42          2HB       GLU  42   9.957  -5.467  -6.067
  290   2HB   GLU  42          1HB       GLU  42   8.484  -5.016  -6.945
  291   1HG   GLU  42          2HG       GLU  42  10.158  -3.296  -7.288
  292   2HG   GLU  42          1HG       GLU  42   8.854  -2.582  -6.285
  293    H    ARG  43           H        ARG  43   6.288  -5.254  -6.206
  294    HA   ARG  43           HA       ARG  43   4.927  -2.790  -5.541
  295   1HB   ARG  43          2HB       ARG  43   3.526  -3.386  -7.463
  296   2HB   ARG  43          1HB       ARG  43   5.256  -3.482  -7.846
  297   1HG   ARG  43          2HG       ARG  43   5.029  -6.054  -7.242
  298   2HG   ARG  43          1HG       ARG  43   3.289  -5.801  -7.506
  299   1HD   ARG  43          2HD       ARG  43   3.683  -5.139  -9.853
  300   2HD   ARG  43          1HD       ARG  43   5.468  -5.011  -9.555
  301    HE   ARG  43           HE       ARG  43   4.885  -7.624  -8.806
  302   1HH1  ARG  43          1HH1      ARG  43   4.992  -5.693 -11.797
  303   2HH1  ARG  43          2HH1      ARG  43   5.300  -7.087 -12.775
  304   1HH2  ARG  43          1HH2      ARG  43   5.095  -9.464 -10.225
  305   2HH2  ARG  43          2HH2      ARG  43   5.127  -9.211 -11.930
  306    H    CYS  44           H        CYS  44   5.179  -5.455  -3.850
  307    HA   CYS  44           HA       CYS  44   4.025  -6.710  -2.551
  308   1HB   CYS  44          2HB       CYS  44   3.886  -4.500  -1.458
  309   2HB   CYS  44          1HB       CYS  44   2.273  -4.264  -2.194
  310    H    GLN  45           H        GLN  45   3.435  -8.165  -4.291
  311    HA   GLN  45           HA       GLN  45   0.569  -7.983  -4.944
  312   1HB   GLN  45          2HB       GLN  45   2.446  -7.722  -6.733
  313   2HB   GLN  45          1HB       GLN  45   2.588  -9.495  -6.611
  314   1HG   GLN  45          2HG       GLN  45   0.002  -9.576  -7.009
  315   2HG   GLN  45          1HG       GLN  45   0.091  -7.802  -7.319
  316   1HE2  GLN  45          1HE2      GLN  45   1.654  -7.126  -9.136
  317   2HE2  GLN  45          2HE2      GLN  45   1.726  -8.203 -10.506
  318    H    TYR  46           H        TYR  46   3.093 -10.450  -4.129
  319    HA   TYR  46           HA       TYR  46   0.995 -12.434  -4.421
  320   1HB   TYR  46          2HB       TYR  46   3.824 -13.228  -3.731
  321   2HB   TYR  46          1HB       TYR  46   2.618 -14.045  -4.766
  322    HD1  TYR  46           1HD      TYR  46   1.976 -12.573  -6.941
  323    HD2  TYR  46           2HD      TYR  46   5.596 -12.298  -4.728
  324    HE1  TYR  46           1HE      TYR  46   3.104 -11.624  -8.895
  325    HE2  TYR  46           2HE      TYR  46   6.732 -11.383  -6.680
  326    HH   TYR  46           HH       TYR  46   6.486 -11.287  -9.114
  327    H    ARG  47           H        ARG  47   0.948 -14.295  -2.765
  328    HA   ARG  47           HA       ARG  47   1.450 -13.187  -0.094
  329   1HB   ARG  47          2HB       ARG  47  -0.146 -14.734   0.810
  330   2HB   ARG  47          1HB       ARG  47  -0.879 -13.649  -0.398
  331   1HG   ARG  47          2HG       ARG  47  -1.035 -15.394  -2.059
  332   2HG   ARG  47          1HG       ARG  47   0.036 -16.480  -1.129
  333   1HD   ARG  47          2HD       ARG  47  -2.196 -17.297  -0.907
  334   2HD   ARG  47          1HD       ARG  47  -1.717 -16.627   0.704
  335    HE   ARG  47           HE       ARG  47  -2.961 -14.454  -0.140
  336   1HH1  ARG  47          1HH1      ARG  47  -4.037 -17.783  -1.045
  337   2HH1  ARG  47          2HH1      ARG  47  -5.686 -17.345  -1.013
  338   1HH2  ARG  47          1HH2      ARG  47  -5.152 -13.954  -0.161
  339   2HH2  ARG  47          2HH2      ARG  47  -6.343 -15.212  -0.419
  340    H    ASP  48           H        ASP  48   2.436 -14.383   1.506
  341    HA   ASP  48           HA       ASP  48   3.954 -16.685   0.562
  342   1HB   ASP  48          2HB       ASP  48   4.933 -14.579   1.829
  343   2HB   ASP  48          1HB       ASP  48   4.316 -15.398   3.307
  344    H    LEU  49           H        LEU  49   2.525 -18.289   0.423
  345    HA   LEU  49           HA       LEU  49   0.387 -18.419   2.248
  346   1HB   LEU  49          2HB       LEU  49  -0.422 -20.234   0.681
  347   2HB   LEU  49          1HB       LEU  49  -0.201 -18.588   0.051
  348    HG   LEU  49           HG       LEU  49   1.935 -19.216  -1.037
  349   1HD1  LEU  49          1HD1      LEU  49   2.724 -21.126   0.361
  350   2HD1  LEU  49          2HD1      LEU  49   2.465 -21.666  -1.337
  351   3HD1  LEU  49          3HD1      LEU  49   1.245 -22.068  -0.077
  352   1HD2  LEU  49          1HD2      LEU  49  -0.468 -21.005  -1.742
  353   2HD2  LEU  49          2HD2      LEU  49   0.892 -20.560  -2.836
  354   3HD2  LEU  49          3HD2      LEU  49  -0.242 -19.289  -2.250
  355    H    LYS  50           H        LYS  50   3.037 -19.229   3.341
  356    HA   LYS  50           HA       LYS  50   3.129 -21.983   3.674
  357   1HB   LYS  50          2HB       LYS  50   4.394 -19.608   5.084
  358   2HB   LYS  50          1HB       LYS  50   4.577 -21.259   5.762
  359   1HG   LYS  50          2HG       LYS  50   6.480 -20.830   4.497
  360   2HG   LYS  50          1HG       LYS  50   5.539 -22.079   3.629
  361   1HD   LYS  50          2HD       LYS  50   4.803 -20.415   1.954
  362   2HD   LYS  50          1HD       LYS  50   5.498 -19.077   2.949
  363   1HE   LYS  50          2HE       LYS  50   7.788 -20.027   2.646
  364   2HE   LYS  50          1HE       LYS  50   7.111 -21.349   1.608
  365   1HZ   LYS  50          1HZ       LYS  50   6.856 -18.424   1.045
  366   2HZ   LYS  50          2HZ       LYS  50   6.313 -19.675   0.069
  367   3HZ   LYS  50          3HZ       LYS  50   7.976 -19.461   0.312
  368    H    TRP  51           H        TRP  51   1.894 -19.534   5.953
  369    HA   TRP  51           HA       TRP  51   0.868 -21.604   7.666
  370   1HB   TRP  51          2HB       TRP  51   0.079 -19.722   9.066
  371   2HB   TRP  51          1HB       TRP  51   1.834 -19.693   8.717
  372    HD1  TRP  51           HD       TRP  51  -1.316 -17.545   8.209
  373    HE1  TRP  51           1HE      TRP  51  -0.519 -15.229   7.350
  374    HE3  TRP  51           3HE      TRP  51   3.546 -18.668   7.249
  375    HZ2  TRP  51           2HZ      TRP  51   1.815 -14.106   6.346
  376    HZ3  TRP  51           3HZ      TRP  51   4.997 -16.932   6.323
  377    HH2  TRP  51           HH       TRP  51   4.175 -14.691   5.905
  378    H    TRP  52           H        TRP  52  -0.340 -19.594   5.151
  379    HA   TRP  52           HA       TRP  52  -3.067 -19.646   5.668
  380   1HB   TRP  52          2HB       TRP  52  -1.488 -19.612   3.045
  381   2HB   TRP  52          1HB       TRP  52  -3.266 -19.494   3.085
  382    HD1  TRP  52           HD       TRP  52  -0.237 -17.315   4.405
  383    HE1  TRP  52           1HE      TRP  52  -1.018 -14.881   4.178
  384    HE3  TRP  52           3HE      TRP  52  -5.058 -18.150   3.020
  385    HZ2  TRP  52           2HZ      TRP  52  -3.429 -13.512   3.690
  386    HZ3  TRP  52           3HZ      TRP  52  -6.545 -16.240   2.720
  387    HH2  TRP  52           HH       TRP  52  -5.759 -13.964   3.052
  388    H    GLU  53           H        GLU  53  -1.242 -21.881   3.563
  389    HA   GLU  53           HA       GLU  53  -3.527 -23.720   3.611
  390   1HB   GLU  53          2HB       GLU  53  -1.020 -23.540   1.877
  391   2HB   GLU  53          1HB       GLU  53  -2.215 -24.860   1.750
  392   1HG   GLU  53          2HG       GLU  53  -2.925 -21.882   1.312
  393   2HG   GLU  53          1HG       GLU  53  -2.425 -23.021   0.016
  394    H    LEU  54           H        LEU  54  -2.811 -23.929   5.990
  395    HA   LEU  54           HA       LEU  54  -1.007 -26.234   6.122
  396   1HB   LEU  54          2HB       LEU  54   0.158 -24.087   6.817
  397   2HB   LEU  54          1HB       LEU  54  -1.082 -23.886   8.084
  398    HG   LEU  54           HG       LEU  54  -0.330 -26.070   9.110
  399   1HD1  LEU  54          1HD1      LEU  54   1.893 -27.019   8.436
  400   2HD1  LEU  54          2HD1      LEU  54   1.941 -25.903   7.022
  401   3HD1  LEU  54          3HD1      LEU  54   0.680 -27.198   7.122
  402   1HD2  LEU  54          1HD2      LEU  54   0.519 -23.877   9.931
  403   2HD2  LEU  54          2HD2      LEU  54   1.865 -23.933   8.729
  404   3HD2  LEU  54          3HD2      LEU  54   1.788 -25.150  10.061
  Start of MODEL   20
    1   1H    VAL   1          1HT       VAL   1   8.458  15.438   6.179
    2   2H    VAL   1          2HT       VAL   1   9.171  16.326   7.384
    3   3H    VAL   1          3HT       VAL   1   7.718  16.825   6.793
    4    HA   VAL   1           HA       VAL   1   8.119  14.255   8.186
    5    HB   VAL   1           HB       VAL   1   8.912  16.066   9.567
    6   1HG1  VAL   1          1HG1      VAL   1   6.057  17.236   9.346
    7   2HG1  VAL   1          2HG1      VAL   1   7.551  17.969   8.647
    8   3HG1  VAL   1          3HG1      VAL   1   7.376  17.802  10.420
    9   1HG2  VAL   1          1HG2      VAL   1   7.679  15.595  11.580
   10   2HG2  VAL   1          2HG2      VAL   1   7.799  14.074  10.632
   11   3HG2  VAL   1          3HG2      VAL   1   6.249  15.005  10.683
   12    H    VAL   2           H        VAL   2   6.247  13.070   8.799
   13    HA   VAL   2           HA       VAL   2   3.839  13.812   7.412
   14    HB   VAL   2           HB       VAL   2   4.549  11.378   9.074
   15   1HG1  VAL   2          1HG1      VAL   2   2.091  12.078   7.325
   16   2HG1  VAL   2          2HG1      VAL   2   2.089  11.665   9.081
   17   3HG1  VAL   2          3HG1      VAL   2   2.502  10.413   7.872
   18   1HG2  VAL   2          1HG2      VAL   2   4.652  10.252   6.832
   19   2HG2  VAL   2          2HG2      VAL   2   5.918  11.510   7.009
   20   3HG2  VAL   2          3HG2      VAL   2   4.438  11.846   6.026
   21    H    SER   3           H        SER   3   2.399  15.129   8.396
   22    HA   SER   3           HA       SER   3   1.798  14.566  11.223
   23   1HB   SER   3          2HB       SER   3   1.451  17.208   9.706
   24   2HB   SER   3          1HB       SER   3   0.899  16.883  11.389
   25    HG   SER   3           HG       SER   3   3.016  16.674  12.011
   26    H    HIS   4           H        HIS   4   0.446  15.610   8.061
   27    HA   HIS   4           HA       HIS   4  -2.179  14.757   9.043
   28   1HB   HIS   4          2HB       HIS   4  -1.609  16.368   6.519
   29   2HB   HIS   4          1HB       HIS   4  -3.186  16.117   7.340
   30    HD1  HIS   4           1HD      HIS   4  -2.602  17.011  10.176
   31    HD2  HIS   4           2HD      HIS   4  -1.019  18.972   6.821
   32    HE1  HIS   4           1HE      HIS   4  -2.055  19.358  10.895
   33    HE2  HIS   4           2HE      HIS   4  -1.151  20.530   8.862
   34    H    PHE   5           H        PHE   5  -3.344  13.162   8.115
   35    HA   PHE   5           HA       PHE   5  -2.074  11.673   5.951
   36   1HB   PHE   5          2HB       PHE   5  -2.707  10.615   8.230
   37   2HB   PHE   5          1HB       PHE   5  -4.416  10.823   7.755
   38    HD1  PHE   5           1HD      PHE   5  -5.382   9.300   6.202
   39    HD2  PHE   5           2HD      PHE   5  -1.191   9.238   6.881
   40    HE1  PHE   5           1HE      PHE   5  -5.225   7.160   5.018
   41    HE2  PHE   5           2HE      PHE   5  -1.024   7.103   5.696
   42    HZ   PHE   5           HZ       PHE   5  -3.042   6.060   4.759
   43    H    ASN   6           H        ASN   6  -3.279  11.143   4.029
   44    HA   ASN   6           HA       ASN   6  -5.848  12.479   3.733
   45   1HB   ASN   6          2HB       ASN   6  -3.386  12.900   1.931
   46   2HB   ASN   6          1HB       ASN   6  -5.049  13.411   1.474
   47   1HD2  ASN   6          1HD2      ASN   6  -6.152  15.006   2.915
   48   2HD2  ASN   6          2HD2      ASN   6  -5.149  16.140   3.801
   49    H    ASP   7           H        ASP   7  -6.980  11.867   1.784
   50    HA   ASP   7           HA       ASP   7  -6.227   9.224   0.788
   51   1HB   ASP   7          2HB       ASP   7  -8.851  10.821   0.706
   52   2HB   ASP   7          1HB       ASP   7  -8.606   9.259  -0.162
   53    H    CYS   8           H        CYS   8  -6.386   8.801  -1.468
   54    HA   CYS   8           HA       CYS   8  -5.449  11.091  -3.058
   55   1HB   CYS   8          2HB       CYS   8  -3.902   9.417  -4.122
   56   2HB   CYS   8          1HB       CYS   8  -3.569   9.840  -2.424
   57    HA   PRO   9           HA       PRO   9  -8.800   8.827  -5.142
   58   1HB   PRO   9          2HB       PRO   9 -10.420  10.908  -6.010
   59   2HB   PRO   9          1HB       PRO   9 -10.445  10.266  -4.326
   60   1HG   PRO   9          2HG       PRO   9  -8.894  12.709  -5.350
   61   2HG   PRO   9          1HG       PRO   9  -9.991  12.601  -3.905
   62   1HD   PRO   9          2HD       PRO   9  -7.250  12.307  -3.638
   63   2HD   PRO   9          1HD       PRO   9  -8.402  11.271  -2.678
   64    H    LEU  10           H        LEU  10  -6.795  11.437  -6.360
   65    HA   LEU  10           HA       LEU  10  -7.461  11.083  -9.075
   66   1HB   LEU  10          2HB       LEU  10  -4.913  12.308  -7.895
   67   2HB   LEU  10          1HB       LEU  10  -5.527  12.459  -9.562
   68    HG   LEU  10           HG       LEU  10  -7.696  13.452  -8.325
   69   1HD1  LEU  10          1HD1      LEU  10  -7.000  14.925  -6.406
   70   2HD1  LEU  10          2HD1      LEU  10  -5.367  14.173  -6.419
   71   3HD1  LEU  10          3HD1      LEU  10  -6.804  13.189  -5.963
   72   1HD2  LEU  10          1HD2      LEU  10  -5.076  14.985  -8.856
   73   2HD2  LEU  10          2HD2      LEU  10  -6.714  15.729  -8.722
   74   3HD2  LEU  10          3HD2      LEU  10  -6.351  14.587 -10.067
   75    H    SER  11           H        SER  11  -5.188   9.512  -6.918
   76    HA   SER  11           HA       SER  11  -3.517   8.445  -8.874
   77   1HB   SER  11          2HB       SER  11  -4.164   7.486  -6.039
   78   2HB   SER  11          1HB       SER  11  -2.948   6.685  -7.083
   79    HG   SER  11           HG       SER  11  -1.848   8.087  -5.955
   80    H    HIS  12           H        HIS  12  -4.096   7.185 -10.500
   81    HA   HIS  12           HA       HIS  12  -5.890   4.925 -10.005
   82   1HB   HIS  12          2HB       HIS  12  -4.573   5.768 -12.641
   83   2HB   HIS  12          1HB       HIS  12  -5.868   4.552 -12.404
   84    HD1  HIS  12           1HD      HIS  12  -5.196   8.260 -12.225
   85    HD2  HIS  12           2HD      HIS  12  -8.492   5.686 -12.245
   86    HE1  HIS  12           1HE      HIS  12  -7.246   9.706 -12.533
   87    HE2  HIS  12           2HE      HIS  12  -9.206   8.153 -12.496
   88    H    ASP  13           H        ASP  13  -4.570   3.531  -8.722
   89    HA   ASP  13           HA       ASP  13  -1.825   3.346  -9.311
   90   1HB   ASP  13          2HB       ASP  13  -3.596   1.677  -7.452
   91   2HB   ASP  13          1HB       ASP  13  -1.787   1.633  -7.484
   92    H    GLY  14           H        GLY  14  -0.599   1.499  -9.730
   93   1HA   GLY  14          2HA       GLY  14  -1.781  -0.751 -11.072
   94   2HA   GLY  14          1HA       GLY  14  -1.042   0.469 -12.168
   95    H    TYR  15           H        TYR  15   1.015   1.040  -9.996
   96    HA   TYR  15           HA       TYR  15   2.871  -1.000 -10.773
   97   1HB   TYR  15          2HB       TYR  15   3.255   1.557 -10.795
   98   2HB   TYR  15          1HB       TYR  15   3.251   1.502  -9.002
   99    HD1  TYR  15           1HD      TYR  15   4.794  -0.103 -12.000
  100    HD2  TYR  15           2HD      TYR  15   5.297   1.100  -7.955
  101    HE1  TYR  15           1HE      TYR  15   7.146  -0.762 -12.097
  102    HE2  TYR  15           2HE      TYR  15   7.663   0.481  -8.061
  103    HH   TYR  15           HH       TYR  15   9.326  -0.367  -9.321
  104    H    CYS  16           H        CYS  16   1.219   0.170  -7.838
  105    HA   CYS  16           HA       CYS  16   2.534  -1.888  -6.254
  106   1HB   CYS  16          2HB       CYS  16   0.403   0.176  -5.527
  107   2HB   CYS  16          1HB       CYS  16   1.153  -0.988  -4.382
  108    H    LEU  17           H        LEU  17   1.874  -3.905  -6.601
  109    HA   LEU  17           HA       LEU  17  -0.621  -4.326  -7.881
  110   1HB   LEU  17          2HB       LEU  17   1.502  -6.335  -7.021
  111   2HB   LEU  17          1HB       LEU  17   0.230  -6.592  -8.257
  112    HG   LEU  17           HG       LEU  17   2.551  -4.576  -8.445
  113   1HD1  LEU  17          1HD1      LEU  17   3.320  -6.946  -8.524
  114   2HD1  LEU  17          2HD1      LEU  17   3.535  -6.086 -10.095
  115   3HD1  LEU  17          3HD1      LEU  17   2.174  -7.259  -9.890
  116   1HD2  LEU  17          1HD2      LEU  17   1.917  -4.348 -10.829
  117   2HD2  LEU  17          2HD2      LEU  17   0.588  -3.792  -9.762
  118   3HD2  LEU  17          3HD2      LEU  17   0.475  -5.408 -10.572
  119    H    HIS  18           H        HIS  18  -1.882  -6.362  -7.284
  120    HA   HIS  18           HA       HIS  18  -3.362  -7.231  -5.958
  121   1HB   HIS  18          2HB       HIS  18  -1.259  -8.279  -5.121
  122   2HB   HIS  18          1HB       HIS  18  -1.208  -7.090  -3.803
  123    HD1  HIS  18           1HD      HIS  18  -2.488  -7.676  -1.768
  124    HD2  HIS  18           2HD      HIS  18  -3.460 -10.222  -4.945
  125    HE1  HIS  18           1HE      HIS  18  -3.840  -9.594  -0.791
  126    HE2  HIS  18           2HE      HIS  18  -4.428 -11.087  -2.748
  127    H    ASP  19           H        ASP  19  -3.450  -4.448  -6.255
  128    HA   ASP  19           HA       ASP  19  -4.207  -2.586  -5.578
  129   1HB   ASP  19          2HB       ASP  19  -6.157  -4.251  -3.946
  130   2HB   ASP  19          1HB       ASP  19  -6.361  -2.513  -4.382
  131    H    GLY  20           H        GLY  20  -2.191  -2.015  -4.650
  132   1HA   GLY  20          2HA       GLY  20  -1.780  -2.105  -1.886
  133   2HA   GLY  20          1HA       GLY  20  -0.998  -1.027  -3.094
  134    H    VAL  21           H        VAL  21  -1.750  -0.470  -0.282
  135    HA   VAL  21           HA       VAL  21  -3.937   1.373  -0.499
  136    HB   VAL  21           HB       VAL  21  -2.080   0.708   1.805
  137   1HG1  VAL  21          1HG1      VAL  21  -3.227   2.944   2.055
  138   2HG1  VAL  21          2HG1      VAL  21  -3.904   1.733   3.196
  139   3HG1  VAL  21          3HG1      VAL  21  -4.807   2.166   1.697
  140   1HG2  VAL  21          1HG2      VAL  21  -3.348  -1.315   1.073
  141   2HG2  VAL  21          2HG2      VAL  21  -4.882  -0.369   1.062
  142   3HG2  VAL  21          3HG2      VAL  21  -4.010  -0.686   2.613
  143    H    CYS  22           H        CYS  22  -3.686   3.534  -0.824
  144    HA   CYS  22           HA       CYS  22  -0.965   4.410  -1.425
  145   1HB   CYS  22          2HB       CYS  22  -2.239   4.476  -3.358
  146   2HB   CYS  22          1HB       CYS  22  -3.717   4.899  -2.490
  147    H    MET  23           H        MET  23   0.048   5.820  -0.190
  148    HA   MET  23           HA       MET  23  -1.590   7.705   1.351
  149   1HB   MET  23          2HB       MET  23   0.067   7.651   3.146
  150   2HB   MET  23          1HB       MET  23  -0.904   6.171   2.928
  151   1HG   MET  23          2HG       MET  23   1.049   5.111   1.683
  152   2HG   MET  23          1HG       MET  23   2.032   6.537   2.135
  153   1HE   MET  23          1HE       MET  23   2.868   3.657   2.645
  154   2HE   MET  23          2HE       MET  23   3.403   3.628   4.362
  155   3HE   MET  23          3HE       MET  23   3.837   5.019   3.319
  156    H    TYR  24           H        TYR  24  -1.498   9.472   0.214
  157    HA   TYR  24           HA       TYR  24   1.102  10.594  -0.517
  158   1HB   TYR  24          2HB       TYR  24  -0.512  10.549  -2.377
  159   2HB   TYR  24          1HB       TYR  24  -1.776  11.243  -1.310
  160    HD1  TYR  24           1HD      TYR  24  -2.315  12.714  -2.910
  161    HD2  TYR  24           2HD      TYR  24   1.638  12.794  -1.327
  162    HE1  TYR  24           1HE      TYR  24  -2.058  14.978  -3.691
  163    HE2  TYR  24           2HE      TYR  24   1.909  15.064  -2.102
  164    HH   TYR  24           HH       TYR  24   0.941  16.854  -3.136
  165    H    ILE  25           H        ILE  25   2.039  11.735   1.097
  166    HA   ILE  25           HA       ILE  25   0.302  13.354   2.801
  167    HB   ILE  25           HB       ILE  25   3.127  12.310   3.111
  168   1HG1  ILE  25          2HG1      ILE  25   1.759  11.446   5.293
  169   2HG1  ILE  25          1HG1      ILE  25   0.414  11.424   4.127
  170   1HG2  ILE  25          1HG2      ILE  25   1.387  14.085   4.951
  171   2HG2  ILE  25          2HG2      ILE  25   2.903  14.590   4.090
  172   3HG2  ILE  25          3HG2      ILE  25   2.978  13.352   5.387
  173   1HD1  ILE  25          1HD1      ILE  25   3.152   9.992   3.807
  174   2HD1  ILE  25          2HD1      ILE  25   1.789   9.880   2.638
  175   3HD1  ILE  25          3HD1      ILE  25   1.611   9.210   4.296
  176    H    GLU  26           H        GLU  26   0.232  15.427   2.377
  177    HA   GLU  26           HA       GLU  26   1.416  16.627   0.211
  178   1HB   GLU  26          2HB       GLU  26  -0.684  17.398   1.295
  179   2HB   GLU  26          1HB       GLU  26   0.185  17.629   2.827
  180   1HG   GLU  26          2HG       GLU  26   1.561  19.516   1.546
  181   2HG   GLU  26          1HG       GLU  26   0.267  19.393   0.317
  182    H    ALA  27           H        ALA  27   2.342  16.986   3.648
  183    HA   ALA  27           HA       ALA  27   4.327  18.812   3.315
  184   1HB   ALA  27          1HB       ALA  27   5.105  17.997   5.561
  185   2HB   ALA  27          2HB       ALA  27   4.115  16.512   5.335
  186   3HB   ALA  27          3HB       ALA  27   3.311  18.130   5.479
  187    H    LEU  28           H        LEU  28   4.532  15.452   2.402
  188    HA   LEU  28           HA       LEU  28   7.429  15.495   2.475
  189   1HB   LEU  28          2HB       LEU  28   5.574  13.380   1.266
  190   2HB   LEU  28          1HB       LEU  28   7.308  13.209   1.687
  191    HG   LEU  28           HG       LEU  28   4.897  13.461   3.556
  192   1HD1  LEU  28          1HD1      LEU  28   5.541  11.128   4.197
  193   2HD1  LEU  28          2HD1      LEU  28   6.934  11.190   3.054
  194   3HD1  LEU  28          3HD1      LEU  28   5.250  11.251   2.426
  195   1HD2  LEU  28          1HD2      LEU  28   7.862  13.267   4.355
  196   2HD2  LEU  28          2HD2      LEU  28   6.453  13.107   5.468
  197   3HD2  LEU  28          3HD2      LEU  28   6.751  14.676   4.650
  198    H    ASP  29           H        ASP  29   4.822  16.081   0.313
  199    HA   ASP  29           HA       ASP  29   4.402  16.263  -1.735
  200   1HB   ASP  29          2HB       ASP  29   7.402  16.739  -2.128
  201   2HB   ASP  29          1HB       ASP  29   6.206  16.841  -3.464
  202    H    LYS  30           H        LYS  30   5.413  13.629  -0.516
  203    HA   LYS  30           HA       LYS  30   5.641  12.137  -3.037
  204   1HB   LYS  30          2HB       LYS  30   6.957  11.472  -0.342
  205   2HB   LYS  30          1HB       LYS  30   7.109  10.526  -1.850
  206   1HG   LYS  30          2HG       LYS  30   8.298  13.287  -1.261
  207   2HG   LYS  30          1HG       LYS  30   9.141  11.725  -1.482
  208   1HD   LYS  30          2HD       LYS  30   8.142  11.679  -3.874
  209   2HD   LYS  30          1HD       LYS  30   7.611  13.367  -3.558
  210   1HE   LYS  30          2HE       LYS  30  10.061  14.013  -3.171
  211   2HE   LYS  30          1HE       LYS  30  10.527  12.327  -3.643
  212   1HZ   LYS  30          1HZ       LYS  30   9.058  14.323  -5.312
  213   2HZ   LYS  30          2HZ       LYS  30   9.309  12.708  -5.738
  214   3HZ   LYS  30          3HZ       LYS  30  10.615  13.738  -5.579
  215    H    TYR  31           H        TYR  31   5.086   9.864  -2.908
  216    HA   TYR  31           HA       TYR  31   3.213   9.233  -0.788
  217   1HB   TYR  31          2HB       TYR  31   2.039   7.820  -2.824
  218   2HB   TYR  31          1HB       TYR  31   1.491   9.393  -2.232
  219    HD1  TYR  31           1HD      TYR  31   2.140  11.462  -3.367
  220    HD2  TYR  31           2HD      TYR  31   2.815   7.629  -5.058
  221    HE1  TYR  31           1HE      TYR  31   2.086  12.450  -5.592
  222    HE2  TYR  31           2HE      TYR  31   2.799   8.610  -7.297
  223    HH   TYR  31           HH       TYR  31   1.822  11.953  -7.791
  224    H    ALA  32           H        ALA  32   2.780   6.935  -0.618
  225    HA   ALA  32           HA       ALA  32   4.746   5.197  -1.827
  226   1HB   ALA  32          1HB       ALA  32   5.887   5.951   0.282
  227   2HB   ALA  32          2HB       ALA  32   5.449   4.213   0.389
  228   3HB   ALA  32          3HB       ALA  32   4.446   5.461   1.231
  229    H    CYS  33           H        CYS  33   4.255   2.859  -0.913
  230    HA   CYS  33           HA       CYS  33   1.332   2.557  -0.825
  231   1HB   CYS  33          2HB       CYS  33   3.450   0.754  -2.092
  232   2HB   CYS  33          1HB       CYS  33   1.720   0.312  -1.900
  233    H    ASN  34           H        ASN  34   0.471   1.245   0.687
  234    HA   ASN  34           HA       ASN  34   2.297  -0.334   2.367
  235   1HB   ASN  34          2HB       ASN  34   1.307   1.694   3.530
  236   2HB   ASN  34          1HB       ASN  34  -0.330   1.057   3.195
  237   1HD2  ASN  34          1HD2      ASN  34  -1.139  -0.555   4.606
  238   2HD2  ASN  34          2HD2      ASN  34  -0.242  -1.143   5.975
  239    H    CYS  35           H        CYS  35   1.482  -2.492   2.890
  240    HA   CYS  35           HA       CYS  35  -0.853  -3.255   1.283
  241   1HB   CYS  35          2HB       CYS  35   1.791  -4.743   1.604
  242   2HB   CYS  35          1HB       CYS  35   0.345  -5.407   0.782
  243    H    VAL  36           H        VAL  36  -1.507  -5.581   1.911
  244    HA   VAL  36           HA       VAL  36  -2.051  -5.479   4.739
  245    HB   VAL  36           HB       VAL  36  -3.601  -7.418   4.056
  246   1HG1  VAL  36          1HG1      VAL  36  -4.002  -4.574   2.928
  247   2HG1  VAL  36          2HG1      VAL  36  -4.322  -5.088   4.630
  248   3HG1  VAL  36          3HG1      VAL  36  -5.288  -5.785   3.279
  249   1HG2  VAL  36          1HG2      VAL  36  -2.354  -7.747   1.790
  250   2HG2  VAL  36          2HG2      VAL  36  -3.152  -6.225   1.246
  251   3HG2  VAL  36          3HG2      VAL  36  -4.151  -7.632   1.725
  252    H    VAL  37           H        VAL  37  -2.235  -7.604   5.896
  253    HA   VAL  37           HA       VAL  37   0.376  -8.665   5.950
  254    HB   VAL  37           HB       VAL  37  -2.095  -9.416   7.531
  255   1HG1  VAL  37          1HG1      VAL  37  -0.383 -10.258   9.194
  256   2HG1  VAL  37          2HG1      VAL  37   0.916  -9.983   7.982
  257   3HG1  VAL  37          3HG1      VAL  37  -0.364 -11.218   7.682
  258   1HG2  VAL  37          1HG2      VAL  37  -1.508  -7.005   7.822
  259   2HG2  VAL  37          2HG2      VAL  37   0.220  -7.448   8.088
  260   3HG2  VAL  37          3HG2      VAL  37  -1.035  -7.946   9.277
  261    H    GLY  38           H        GLY  38   1.163 -10.514   5.247
  262   1HA   GLY  38          2HA       GLY  38   1.156 -12.707   4.727
  263   2HA   GLY  38          1HA       GLY  38  -0.581 -12.624   4.259
  264    H    TYR  39           H        TYR  39   1.388 -10.048   3.186
  265    HA   TYR  39           HA       TYR  39   1.762 -11.213   0.547
  266   1HB   TYR  39          2HB       TYR  39   0.123  -8.679   1.153
  267   2HB   TYR  39          1HB       TYR  39   0.657  -9.172  -0.495
  268    HD1  TYR  39           1HD      TYR  39  -0.079 -11.365  -1.383
  269    HD2  TYR  39           2HD      TYR  39  -1.735  -9.740   2.166
  270    HE1  TYR  39           1HE      TYR  39  -1.982 -12.911  -1.565
  271    HE2  TYR  39           2HE      TYR  39  -3.637 -11.260   1.997
  272    HH   TYR  39           HH       TYR  39  -4.564 -12.984   0.873
  273    H    ILE  40           H        ILE  40   3.913 -10.912   0.267
  274    HA   ILE  40           HA       ILE  40   5.043  -8.434   1.376
  275    HB   ILE  40           HB       ILE  40   7.015  -9.547   2.025
  276   1HG1  ILE  40          2HG1      ILE  40   5.690 -12.199   1.238
  277   2HG1  ILE  40          1HG1      ILE  40   6.963 -11.380   0.264
  278   1HG2  ILE  40          1HG2      ILE  40   4.531 -10.967   3.116
  279   2HG2  ILE  40          2HG2      ILE  40   5.034  -9.287   3.549
  280   3HG2  ILE  40          3HG2      ILE  40   6.092 -10.686   3.954
  281   1HD1  ILE  40          1HD1      ILE  40   8.115 -13.003   1.639
  282   2HD1  ILE  40          2HD1      ILE  40   7.258 -12.455   3.128
  283   3HD1  ILE  40          3HD1      ILE  40   8.471 -11.388   2.335
  284    H    GLY  41           H        GLY  41   7.235  -7.969   0.764
  285   1HA   GLY  41          2HA       GLY  41   8.896  -7.720  -0.707
  286   2HA   GLY  41          1HA       GLY  41   7.939  -8.505  -2.002
  287    H    GLU  42           H        GLU  42   8.926  -6.537  -3.167
  288    HA   GLU  42           HA       GLU  42   8.433  -3.980  -2.108
  289   1HB   GLU  42          2HB       GLU  42  10.462  -4.721  -3.281
  290   2HB   GLU  42          1HB       GLU  42   9.544  -4.912  -4.801
  291   1HG   GLU  42          2HG       GLU  42   9.219  -2.504  -5.013
  292   2HG   GLU  42          1HG       GLU  42   9.754  -2.211  -3.314
  293    H    ARG  43           H        ARG  43   6.857  -5.923  -4.528
  294    HA   ARG  43           HA       ARG  43   4.950  -3.748  -5.076
  295   1HB   ARG  43          2HB       ARG  43   4.441  -5.084  -7.165
  296   2HB   ARG  43          1HB       ARG  43   6.010  -4.262  -7.121
  297   1HG   ARG  43          2HG       ARG  43   6.007  -7.112  -6.123
  298   2HG   ARG  43          1HG       ARG  43   5.637  -6.881  -7.849
  299   1HD   ARG  43          2HD       ARG  43   8.149  -5.655  -6.551
  300   2HD   ARG  43          1HD       ARG  43   8.134  -7.299  -7.270
  301    HE   ARG  43           HE       ARG  43   7.754  -4.697  -8.718
  302   1HH1  ARG  43          1HH1      ARG  43   7.571  -8.266  -9.000
  303   2HH1  ARG  43          2HH1      ARG  43   7.475  -8.201 -10.734
  304   1HH2  ARG  43          1HH2      ARG  43   8.028  -4.746 -11.019
  305   2HH2  ARG  43          2HH2      ARG  43   7.706  -6.237 -11.850
  306    H    CYS  44           H        CYS  44   5.235  -6.105  -2.974
  307    HA   CYS  44           HA       CYS  44   3.958  -7.431  -1.872
  308   1HB   CYS  44          2HB       CYS  44   1.670  -5.704  -2.872
  309   2HB   CYS  44          1HB       CYS  44   1.661  -6.737  -1.406
  310    H    GLN  45           H        GLN  45   4.528  -8.545  -4.419
  311    HA   GLN  45           HA       GLN  45   2.047  -9.758  -5.258
  312   1HB   GLN  45          2HB       GLN  45   3.197 -10.725  -7.071
  313   2HB   GLN  45          1HB       GLN  45   3.582  -8.964  -6.928
  314   1HG   GLN  45          2HG       GLN  45   5.777  -9.995  -5.673
  315   2HG   GLN  45          1HG       GLN  45   5.286 -11.471  -6.581
  316   1HE2  GLN  45          1HE2      GLN  45   4.238  -9.972  -8.933
  317   2HE2  GLN  45          2HE2      GLN  45   5.703  -9.502  -9.778
  318    H    TYR  46           H        TYR  46   4.636 -10.675  -3.067
  319    HA   TYR  46           HA       TYR  46   4.308 -13.468  -3.692
  320   1HB   TYR  46          2HB       TYR  46   5.853 -12.160  -1.413
  321   2HB   TYR  46          1HB       TYR  46   6.013 -13.868  -1.963
  322    HD1  TYR  46           1HD      TYR  46   8.183 -12.089  -1.498
  323    HD2  TYR  46           2HD      TYR  46   5.977 -12.708  -5.087
  324    HE1  TYR  46           1HE      TYR  46  10.102 -11.355  -2.801
  325    HE2  TYR  46           2HE      TYR  46   7.902 -12.001  -6.386
  326    HH   TYR  46           HH       TYR  46  10.798 -10.690  -4.839
  327    H    ARG  47           H        ARG  47   3.469 -15.049  -2.347
  328    HA   ARG  47           HA       ARG  47   1.525 -14.070  -0.379
  329   1HB   ARG  47          2HB       ARG  47   0.747 -15.459  -2.293
  330   2HB   ARG  47          1HB       ARG  47   1.918 -16.728  -1.853
  331   1HG   ARG  47          2HG       ARG  47   0.701 -17.052   0.338
  332   2HG   ARG  47          1HG       ARG  47  -0.506 -15.833  -0.166
  333   1HD   ARG  47          2HD       ARG  47   0.142 -18.443  -1.707
  334   2HD   ARG  47          1HD       ARG  47  -1.196 -18.269  -0.509
  335    HE   ARG  47           HE       ARG  47  -2.137 -16.437  -1.938
  336   1HH1  ARG  47          1HH1      ARG  47  -0.219 -19.027  -3.531
  337   2HH1  ARG  47          2HH1      ARG  47  -1.134 -18.901  -4.993
  338   1HH2  ARG  47          1HH2      ARG  47  -3.186 -16.223  -3.943
  339   2HH2  ARG  47          2HH2      ARG  47  -2.917 -17.379  -5.173
  340    H    ASP  48           H        ASP  48   1.874 -14.417   1.813
  341    HA   ASP  48           HA       ASP  48   4.190 -15.911   2.593
  342   1HB   ASP  48          2HB       ASP  48   1.919 -14.586   4.161
  343   2HB   ASP  48          1HB       ASP  48   3.186 -15.573   4.965
  344    H    LEU  49           H        LEU  49   4.187 -18.061   2.259
  345    HA   LEU  49           HA       LEU  49   1.740 -19.509   2.644
  346   1HB   LEU  49          2HB       LEU  49   3.620 -19.768   0.816
  347   2HB   LEU  49          1HB       LEU  49   4.465 -20.729   2.053
  348    HG   LEU  49           HG       LEU  49   2.318 -22.175   2.189
  349   1HD1  LEU  49          1HD1      LEU  49   1.629 -20.598  -0.378
  350   2HD1  LEU  49          2HD1      LEU  49   0.676 -20.576   1.149
  351   3HD1  LEU  49          3HD1      LEU  49   0.795 -22.094   0.191
  352   1HD2  LEU  49          1HD2      LEU  49   3.802 -22.030  -0.509
  353   2HD2  LEU  49          2HD2      LEU  49   2.869 -23.443   0.123
  354   3HD2  LEU  49          3HD2      LEU  49   4.359 -22.895   0.973
  355    H    LYS  50           H        LYS  50   3.890 -18.362   4.796
  356    HA   LYS  50           HA       LYS  50   4.625 -20.558   6.280
  357   1HB   LYS  50          2HB       LYS  50   4.256 -17.718   7.349
  358   2HB   LYS  50          1HB       LYS  50   5.181 -19.048   8.092
  359   1HG   LYS  50          2HG       LYS  50   6.882 -17.940   7.178
  360   2HG   LYS  50          1HG       LYS  50   6.561 -19.031   5.801
  361   1HD   LYS  50          2HD       LYS  50   5.473 -17.226   4.564
  362   2HD   LYS  50          1HD       LYS  50   5.231 -16.273   6.057
  363   1HE   LYS  50          2HE       LYS  50   6.961 -15.161   4.796
  364   2HE   LYS  50          1HE       LYS  50   7.695 -15.877   6.277
  365   1HZ   LYS  50          1HZ       LYS  50   8.873 -16.103   4.124
  366   2HZ   LYS  50          2HZ       LYS  50   7.737 -17.280   3.658
  367   3HZ   LYS  50          3HZ       LYS  50   8.726 -17.505   5.048
  368    H    TRP  51           H        TRP  51   1.698 -18.572   6.537
  369    HA   TRP  51           HA       TRP  51   0.836 -20.086   8.859
  370   1HB   TRP  51          2HB       TRP  51  -1.114 -18.541   8.839
  371   2HB   TRP  51          1HB       TRP  51   0.495 -17.788   9.085
  372    HD1  TRP  51           HD       TRP  51   1.274 -15.941   7.336
  373    HE1  TRP  51           1HE      TRP  51  -0.010 -14.634   5.538
  374    HE3  TRP  51           3HE      TRP  51  -2.895 -18.838   7.098
  375    HZ2  TRP  51           2HZ      TRP  51  -2.502 -14.795   4.244
  376    HZ3  TRP  51           3HZ      TRP  51  -4.705 -18.178   5.603
  377    HH2  TRP  51           HH       TRP  51  -4.525 -16.197   4.198
  378    H    TRP  52           H        TRP  52   0.365 -20.110   5.472
  379    HA   TRP  52           HA       TRP  52  -2.036 -21.617   5.422
  380   1HB   TRP  52          2HB       TRP  52   0.284 -21.375   3.444
  381   2HB   TRP  52          1HB       TRP  52  -1.140 -22.397   3.123
  382    HD1  TRP  52           HD       TRP  52  -0.650 -18.553   3.937
  383    HE1  TRP  52           1HE      TRP  52  -2.199 -17.294   2.348
  384    HE3  TRP  52           3HE      TRP  52  -2.875 -22.546   1.714
  385    HZ2  TRP  52           2HZ      TRP  52  -4.122 -17.938   0.365
  386    HZ3  TRP  52           3HZ      TRP  52  -4.572 -22.150   0.005
  387    HH2  TRP  52           HH       TRP  52  -5.191 -19.891  -0.661
  388    H    GLU  53           H        GLU  53   1.392 -22.604   5.298
  389    HA   GLU  53           HA       GLU  53   0.593 -25.374   5.772
  390   1HB   GLU  53          2HB       GLU  53   3.340 -24.194   5.168
  391   2HB   GLU  53          1HB       GLU  53   2.967 -25.908   5.505
  392   1HG   GLU  53          2HG       GLU  53   1.258 -25.720   3.498
  393   2HG   GLU  53          1HG       GLU  53   2.201 -24.260   3.036
  394    H    LEU  54           H        LEU  54  -0.282 -24.409   7.874
  395    HA   LEU  54           HA       LEU  54   1.655 -25.184   9.890
  396   1HB   LEU  54          2HB       LEU  54   1.492 -22.653   9.698
  397   2HB   LEU  54          1HB       LEU  54  -0.242 -22.777  10.088
  398    HG   LEU  54           HG       LEU  54   1.242 -22.026  11.941
  399   1HD1  LEU  54          1HD1      LEU  54  -0.942 -23.099  12.491
  400   2HD1  LEU  54          2HD1      LEU  54   0.305 -23.345  13.770
  401   3HD1  LEU  54          3HD1      LEU  54  -0.110 -24.692  12.643
  402   1HD2  LEU  54          1HD2      LEU  54   3.259 -23.408  11.382
  403   2HD2  LEU  54          2HD2      LEU  54   2.404 -24.873  11.998
  404   3HD2  LEU  54          3HD2      LEU  54   2.781 -23.518  13.119
  Start of MODEL   21
    1   1H    VAL   1          1HT       VAL   1   5.560  17.963   9.211
    2   2H    VAL   1          2HT       VAL   1   6.119  19.528   9.327
    3   3H    VAL   1          3HT       VAL   1   5.778  18.892   7.807
    4    HA   VAL   1           HA       VAL   1   3.851  19.274  10.021
    5    HB   VAL   1           HB       VAL   1   4.693  21.384   9.028
    6   1HG1  VAL   1          1HG1      VAL   1   3.886  22.076   6.811
    7   2HG1  VAL   1          2HG1      VAL   1   3.123  20.487   6.515
    8   3HG1  VAL   1          3HG1      VAL   1   4.921  20.624   6.625
    9   1HG2  VAL   1          1HG2      VAL   1   2.465  21.198  10.198
   10   2HG2  VAL   1          2HG2      VAL   1   1.678  20.899   8.601
   11   3HG2  VAL   1          3HG2      VAL   1   2.515  22.448   8.912
   12    H    VAL   2           H        VAL   2   1.584  18.649   9.610
   13    HA   VAL   2           HA       VAL   2   1.202  17.231   7.091
   14    HB   VAL   2           HB       VAL   2   0.118  16.419   9.818
   15   1HG1  VAL   2          1HG1      VAL   2  -0.783  14.456   8.499
   16   2HG1  VAL   2          2HG1      VAL   2  -0.254  15.244   6.973
   17   3HG1  VAL   2          3HG1      VAL   2  -1.545  15.994   7.988
   18   1HG2  VAL   2          1HG2      VAL   2   2.174  15.074   7.953
   19   2HG2  VAL   2          2HG2      VAL   2   1.450  14.328   9.420
   20   3HG2  VAL   2          3HG2      VAL   2   2.517  15.767   9.583
   21    H    SER   3           H        SER   3  -0.294  18.409   5.958
   22    HA   SER   3           HA       SER   3  -2.636  19.206   7.520
   23   1HB   SER   3          2HB       SER   3  -1.354  21.294   7.134
   24   2HB   SER   3          1HB       SER   3  -1.364  20.975   5.374
   25    HG   SER   3           HG       SER   3  -3.656  21.317   7.035
   26    H    HIS   4           H        HIS   4  -1.405  18.780   4.122
   27    HA   HIS   4           HA       HIS   4  -3.754  17.056   3.804
   28   1HB   HIS   4          2HB       HIS   4  -2.635  19.019   1.751
   29   2HB   HIS   4          1HB       HIS   4  -3.826  17.724   1.381
   30    HD1  HIS   4           1HD      HIS   4  -3.606  21.101   2.881
   31    HD2  HIS   4           2HD      HIS   4  -6.395  17.980   2.736
   32    HE1  HIS   4           1HE      HIS   4  -5.810  22.065   3.632
   33    HE2  HIS   4           2HE      HIS   4  -7.465  20.114   3.573
   34    H    PHE   5           H        PHE   5  -3.666  15.363   2.374
   35    HA   PHE   5           HA       PHE   5  -1.010  14.559   1.510
   36   1HB   PHE   5          2HB       PHE   5  -1.369  12.234   2.217
   37   2HB   PHE   5          1HB       PHE   5  -1.334  13.369   3.603
   38    HD1  PHE   5           1HD      PHE   5  -3.309  11.054   1.697
   39    HD2  PHE   5           2HD      PHE   5  -3.423  14.012   4.716
   40    HE1  PHE   5           1HE      PHE   5  -5.487  10.183   2.449
   41    HE2  PHE   5           2HE      PHE   5  -5.614  13.189   5.465
   42    HZ   PHE   5           HZ       PHE   5  -6.662  11.276   4.319
   43    H    ASN   6           H        ASN   6  -1.069  12.900  -0.200
   44    HA   ASN   6           HA       ASN   6  -3.594  12.784  -1.657
   45   1HB   ASN   6          2HB       ASN   6  -0.906  13.827  -2.755
   46   2HB   ASN   6          1HB       ASN   6  -2.206  13.178  -3.817
   47   1HD2  ASN   6          1HD2      ASN   6  -4.181  14.312  -4.038
   48   2HD2  ASN   6          2HD2      ASN   6  -4.340  15.981  -3.552
   49    H    ASP   7           H        ASP   7  -3.867  10.615  -1.318
   50    HA   ASP   7           HA       ASP   7  -1.536   8.942  -1.894
   51   1HB   ASP   7          2HB       ASP   7  -1.988   7.549  -0.025
   52   2HB   ASP   7          1HB       ASP   7  -1.838   9.255   0.503
   53    H    CYS   8           H        CYS   8  -2.695   6.492  -1.519
   54    HA   CYS   8           HA       CYS   8  -3.092   5.889  -4.073
   55   1HB   CYS   8          2HB       CYS   8  -3.513   4.489  -1.477
   56   2HB   CYS   8          1HB       CYS   8  -4.245   3.714  -2.900
   57    HA   PRO   9           HA       PRO   9  -7.017   7.608  -4.174
   58   1HB   PRO   9          2HB       PRO   9  -7.474   7.911  -6.877
   59   2HB   PRO   9          1HB       PRO   9  -6.059   8.672  -6.062
   60   1HG   PRO   9          2HG       PRO   9  -6.075   5.946  -7.509
   61   2HG   PRO   9          1HG       PRO   9  -4.994   7.374  -7.846
   62   1HD   PRO   9          2HD       PRO   9  -4.194   5.367  -6.126
   63   2HD   PRO   9          1HD       PRO   9  -3.854   7.120  -5.745
   64    H    LEU  10           H        LEU  10  -9.236   7.539  -5.169
   65    HA   LEU  10           HA       LEU  10 -10.416   5.013  -4.829
   66   1HB   LEU  10          2HB       LEU  10 -11.600   7.530  -6.135
   67   2HB   LEU  10          1HB       LEU  10 -12.506   6.152  -5.439
   68    HG   LEU  10           HG       LEU  10 -10.833   8.228  -3.929
   69   1HD1  LEU  10          1HD1      LEU  10 -13.046   8.875  -2.975
   70   2HD1  LEU  10          2HD1      LEU  10 -13.854   7.615  -3.988
   71   3HD1  LEU  10          3HD1      LEU  10 -13.039   9.020  -4.774
   72   1HD2  LEU  10          1HD2      LEU  10 -11.724   7.137  -1.831
   73   2HD2  LEU  10          2HD2      LEU  10 -10.565   6.094  -2.728
   74   3HD2  LEU  10          3HD2      LEU  10 -12.336   5.766  -2.830
   75    H    SER  11           H        SER  11  -9.486   6.892  -7.641
   76    HA   SER  11           HA       SER  11 -10.618   5.175  -9.591
   77   1HB   SER  11          2HB       SER  11  -8.409   7.293  -9.749
   78   2HB   SER  11          1HB       SER  11  -9.137   6.477 -11.182
   79    HG   SER  11           HG       SER  11 -10.031   8.593  -9.955
   80    H    HIS  12           H        HIS  12  -8.936   4.249 -11.365
   81    HA   HIS  12           HA       HIS  12  -8.010   2.022 -10.055
   82   1HB   HIS  12          2HB       HIS  12  -7.362   3.012 -12.866
   83   2HB   HIS  12          1HB       HIS  12  -6.914   1.388 -12.243
   84    HD1  HIS  12           1HD      HIS  12  -8.309   0.878 -14.405
   85    HD2  HIS  12           2HD      HIS  12 -10.492   1.890 -10.985
   86    HE1  HIS  12           1HE      HIS  12 -10.656  -0.108 -14.694
   87    HE2  HIS  12           2HE      HIS  12 -11.907   0.512 -12.608
   88    H    ASP  13           H        ASP  13  -5.985   0.922 -10.058
   89    HA   ASP  13           HA       ASP  13  -4.364   2.430  -8.455
   90   1HB   ASP  13          2HB       ASP  13  -3.182   0.164  -8.199
   91   2HB   ASP  13          1HB       ASP  13  -4.920   0.272  -7.778
   92    H    GLY  14           H        GLY  14  -2.192   2.702  -8.346
   93   1HA   GLY  14          2HA       GLY  14  -1.031   3.305 -10.989
   94   2HA   GLY  14          1HA       GLY  14  -0.974   4.334  -9.526
   95    H    TYR  15           H        TYR  15   0.430   3.764  -7.793
   96    HA   TYR  15           HA       TYR  15   2.740   2.293  -8.777
   97   1HB   TYR  15          2HB       TYR  15   3.163   4.590  -7.953
   98   2HB   TYR  15          1HB       TYR  15   2.389   4.180  -6.386
   99    HD1  TYR  15           1HD      TYR  15   4.037   4.095  -4.772
  100    HD2  TYR  15           2HD      TYR  15   4.858   2.377  -8.581
  101    HE1  TYR  15           1HE      TYR  15   6.124   3.163  -3.910
  102    HE2  TYR  15           2HE      TYR  15   6.838   1.338  -7.697
  103    HH   TYR  15           HH       TYR  15   8.179   1.077  -5.950
  104    H    CYS  16           H        CYS  16   0.610   2.440  -5.861
  105    HA   CYS  16           HA       CYS  16   1.580  -0.281  -5.276
  106   1HB   CYS  16          2HB       CYS  16   0.310   1.751  -3.437
  107   2HB   CYS  16          1HB       CYS  16   0.364  -0.002  -3.068
  108    H    LEU  17           H        LEU  17   0.378  -1.956  -5.265
  109    HA   LEU  17           HA       LEU  17  -2.428  -1.828  -6.001
  110   1HB   LEU  17          2HB       LEU  17  -1.948  -3.394  -7.949
  111   2HB   LEU  17          1HB       LEU  17  -1.376  -1.731  -8.174
  112    HG   LEU  17           HG       LEU  17   0.737  -3.366  -6.948
  113   1HD1  LEU  17          1HD1      LEU  17   1.206  -4.871  -8.848
  114   2HD1  LEU  17          2HD1      LEU  17  -0.313  -4.351  -9.669
  115   3HD1  LEU  17          3HD1      LEU  17  -0.385  -5.265  -8.112
  116   1HD2  LEU  17          1HD2      LEU  17   1.010  -1.144  -8.134
  117   2HD2  LEU  17          2HD2      LEU  17   0.556  -1.939  -9.683
  118   3HD2  LEU  17          3HD2      LEU  17   2.064  -2.427  -8.823
  119    H    HIS  18           H        HIS  18  -3.261  -4.094  -6.185
  120    HA   HIS  18           HA       HIS  18  -3.743  -5.987  -5.304
  121   1HB   HIS  18          2HB       HIS  18  -1.572  -6.365  -6.663
  122   2HB   HIS  18          1HB       HIS  18  -0.806  -6.719  -5.091
  123    HD1  HIS  18           1HD      HIS  18  -2.388  -8.569  -3.739
  124    HD2  HIS  18           2HD      HIS  18  -2.852  -8.457  -7.878
  125    HE1  HIS  18           1HE      HIS  18  -3.577 -10.746  -4.414
  126    HE2  HIS  18           2HE      HIS  18  -3.776 -10.633  -6.946
  127    H    ASP  19           H        ASP  19  -3.917  -4.150  -3.422
  128    HA   ASP  19           HA       ASP  19  -4.375  -3.847  -1.381
  129   1HB   ASP  19          2HB       ASP  19  -3.829  -6.810  -1.029
  130   2HB   ASP  19          1HB       ASP  19  -4.149  -5.753   0.387
  131    H    GLY  20           H        GLY  20  -1.811  -3.290  -2.507
  132   1HA   GLY  20          2HA       GLY  20  -0.362  -2.688  -0.050
  133   2HA   GLY  20          1HA       GLY  20   0.019  -2.180  -1.735
  134    H    VAL  21           H        VAL  21  -0.629  -0.855   1.098
  135    HA   VAL  21           HA       VAL  21  -2.506   1.145   0.078
  136    HB   VAL  21           HB       VAL  21  -1.745   0.444   2.927
  137   1HG1  VAL  21          1HG1      VAL  21  -2.305   2.884   2.693
  138   2HG1  VAL  21          2HG1      VAL  21  -3.669   2.003   3.464
  139   3HG1  VAL  21          3HG1      VAL  21  -3.773   2.463   1.731
  140   1HG2  VAL  21          1HG2      VAL  21  -4.313  -0.058   1.273
  141   2HG2  VAL  21          2HG2      VAL  21  -4.127  -0.357   3.034
  142   3HG2  VAL  21          3HG2      VAL  21  -3.168  -1.321   1.865
  143    H    CYS  22           H        CYS  22  -1.309   2.733  -0.893
  144    HA   CYS  22           HA       CYS  22   1.219   3.464   0.316
  145   1HB   CYS  22          2HB       CYS  22   1.678   4.806  -1.550
  146   2HB   CYS  22          1HB       CYS  22   1.111   3.227  -2.114
  147    H    MET  23           H        MET  23   1.711   5.368   1.308
  148    HA   MET  23           HA       MET  23  -0.430   7.351   1.543
  149   1HB   MET  23          2HB       MET  23   1.207   6.215   3.847
  150   2HB   MET  23          1HB       MET  23   0.222   7.724   3.906
  151   1HG   MET  23          2HG       MET  23  -1.826   6.514   3.381
  152   2HG   MET  23          1HG       MET  23  -0.950   4.969   3.219
  153   1HE   MET  23          1HE       MET  23  -0.012   3.811   6.683
  154   2HE   MET  23          2HE       MET  23   1.007   4.599   5.438
  155   3HE   MET  23          3HE       MET  23  -0.255   3.424   4.945
  156    H    TYR  24           H        TYR  24   0.358   8.882   0.314
  157    HA   TYR  24           HA       TYR  24   3.102   9.782   0.766
  158   1HB   TYR  24          2HB       TYR  24   2.218   9.061  -1.611
  159   2HB   TYR  24          1HB       TYR  24   1.363  10.646  -1.607
  160    HD1  TYR  24           1HD      TYR  24   3.028  12.679  -0.852
  161    HD2  TYR  24           2HD      TYR  24   4.123   8.978  -2.643
  162    HE1  TYR  24           1HE      TYR  24   5.087  13.682  -1.645
  163    HE2  TYR  24           2HE      TYR  24   6.142   9.975  -3.501
  164    HH   TYR  24           HH       TYR  24   7.150  13.268  -2.585
  165    H    ILE  25           H        ILE  25   3.249  11.411   2.245
  166    HA   ILE  25           HA       ILE  25   1.094  13.365   2.283
  167    HB   ILE  25           HB       ILE  25   3.382  12.932   4.229
  168   1HG1  ILE  25          2HG1      ILE  25   1.311  12.230   5.682
  169   2HG1  ILE  25          1HG1      ILE  25   0.569  11.737   4.129
  170   1HG2  ILE  25          1HG2      ILE  25   2.445  15.220   4.149
  171   2HG2  ILE  25          2HG2      ILE  25   1.834  14.389   5.629
  172   3HG2  ILE  25          3HG2      ILE  25   0.755  14.572   4.191
  173   1HD1  ILE  25          1HD1      ILE  25   1.735   9.872   5.394
  174   2HD1  ILE  25          2HD1      ILE  25   3.293  10.757   5.240
  175   3HD1  ILE  25          3HD1      ILE  25   2.464  10.111   3.771
  176    H    GLU  26           H        GLU  26   1.485  14.824   0.720
  177    HA   GLU  26           HA       GLU  26   3.961  15.425  -0.327
  178   1HB   GLU  26          2HB       GLU  26   1.752  15.611  -1.470
  179   2HB   GLU  26          1HB       GLU  26   1.280  16.898  -0.337
  180   1HG   GLU  26          2HG       GLU  26   1.787  17.912  -2.418
  181   2HG   GLU  26          1HG       GLU  26   3.105  18.385  -1.311
  182    H    ALA  27           H        ALA  27   2.152  16.961   2.277
  183    HA   ALA  27           HA       ALA  27   3.465  19.221   2.764
  184   1HB   ALA  27          1HB       ALA  27   1.516  18.023   4.007
  185   2HB   ALA  27          2HB       ALA  27   2.682  18.916   5.053
  186   3HB   ALA  27          3HB       ALA  27   2.775  17.124   4.923
  187    H    LEU  28           H        LEU  28   4.597  16.006   3.614
  188    HA   LEU  28           HA       LEU  28   7.057  17.014   4.814
  189   1HB   LEU  28          2HB       LEU  28   5.639  14.323   4.678
  190   2HB   LEU  28          1HB       LEU  28   7.324  14.459   5.276
  191    HG   LEU  28           HG       LEU  28   5.402  16.391   6.512
  192   1HD1  LEU  28          1HD1      LEU  28   5.152  13.357   6.995
  193   2HD1  LEU  28          2HD1      LEU  28   3.892  14.513   6.385
  194   3HD1  LEU  28          3HD1      LEU  28   4.488  14.640   8.078
  195   1HD2  LEU  28          1HD2      LEU  28   7.786  16.205   7.245
  196   2HD2  LEU  28          2HD2      LEU  28   7.533  14.463   7.645
  197   3HD2  LEU  28          3HD2      LEU  28   6.660  15.735   8.571
  198    H    ASP  29           H        ASP  29   5.888  15.093   2.099
  199    HA   ASP  29           HA       ASP  29   6.740  14.223   0.355
  200   1HB   ASP  29          2HB       ASP  29   7.792  16.415  -0.066
  201   2HB   ASP  29          1HB       ASP  29   9.286  15.853   0.766
  202    H    LYS  30           H        LYS  30   6.987  13.184   3.057
  203    HA   LYS  30           HA       LYS  30   8.957  11.062   2.507
  204   1HB   LYS  30          2HB       LYS  30   7.852  11.930   5.236
  205   2HB   LYS  30          1HB       LYS  30   9.015  10.607   4.930
  206   1HG   LYS  30          2HG       LYS  30   9.470  13.624   4.634
  207   2HG   LYS  30          1HG       LYS  30  10.200  12.496   5.816
  208   1HD   LYS  30          2HD       LYS  30  11.293  11.275   3.837
  209   2HD   LYS  30          1HD       LYS  30  10.622  12.539   2.776
  210   1HE   LYS  30          2HE       LYS  30  11.817  14.312   4.240
  211   2HE   LYS  30          1HE       LYS  30  12.703  12.958   5.039
  212   1HZ   LYS  30          1HZ       LYS  30  13.707  12.398   2.991
  213   2HZ   LYS  30          2HZ       LYS  30  13.823  14.074   3.165
  214   3HZ   LYS  30          3HZ       LYS  30  12.696  13.450   2.087
  215    H    TYR  31           H        TYR  31   8.154   9.164   2.117
  216    HA   TYR  31           HA       TYR  31   5.308   8.741   2.762
  217   1HB   TYR  31          2HB       TYR  31   4.616   8.269   0.604
  218   2HB   TYR  31          1HB       TYR  31   5.432   9.856   0.605
  219    HD1  TYR  31           1HD      TYR  31   5.205   6.705  -0.856
  220    HD2  TYR  31           2HD      TYR  31   7.837   9.948  -0.224
  221    HE1  TYR  31           1HE      TYR  31   6.440   6.054  -2.870
  222    HE2  TYR  31           2HE      TYR  31   9.147   9.286  -2.210
  223    HH   TYR  31           HH       TYR  31   8.037   6.909  -4.449
  224    H    ALA  32           H        ALA  32   4.455   6.577   2.027
  225    HA   ALA  32           HA       ALA  32   6.375   4.444   2.369
  226   1HB   ALA  32          1HB       ALA  32   5.100   3.523   4.341
  227   2HB   ALA  32          2HB       ALA  32   4.033   4.977   4.316
  228   3HB   ALA  32          3HB       ALA  32   5.775   5.143   4.723
  229    H    CYS  33           H        CYS  33   5.467   2.340   1.965
  230    HA   CYS  33           HA       CYS  33   2.667   2.306   1.202
  231   1HB   CYS  33          2HB       CYS  33   4.117   2.191  -0.904
  232   2HB   CYS  33          1HB       CYS  33   4.739   0.642  -0.309
  233    H    ASN  34           H        ASN  34   1.572   0.946   2.497
  234    HA   ASN  34           HA       ASN  34   3.159  -1.030   3.948
  235   1HB   ASN  34          2HB       ASN  34   1.776   0.766   5.179
  236   2HB   ASN  34          1HB       ASN  34   0.313  -0.101   4.598
  237   1HD2  ASN  34          1HD2      ASN  34   0.172  -0.135   7.182
  238   2HD2  ASN  34          2HD2      ASN  34   0.864  -1.548   7.910
  239    H    CYS  35           H        CYS  35   2.437  -3.185   4.082
  240    HA   CYS  35           HA       CYS  35   0.456  -4.005   2.073
  241   1HB   CYS  35          2HB       CYS  35   3.299  -4.927   2.482
  242   2HB   CYS  35          1HB       CYS  35   2.114  -6.206   2.155
  243    H    VAL  36           H        VAL  36  -0.204  -6.325   2.529
  244    HA   VAL  36           HA       VAL  36  -0.774  -6.621   5.360
  245    HB   VAL  36           HB       VAL  36  -2.184  -8.597   4.258
  246   1HG1  VAL  36          1HG1      VAL  36  -3.065  -6.745   5.649
  247   2HG1  VAL  36          2HG1      VAL  36  -4.075  -6.970   4.178
  248   3HG1  VAL  36          3HG1      VAL  36  -2.907  -5.600   4.262
  249   1HG2  VAL  36          1HG2      VAL  36  -2.153  -6.469   2.015
  250   2HG2  VAL  36          2HG2      VAL  36  -3.012  -8.038   2.059
  251   3HG2  VAL  36          3HG2      VAL  36  -1.223  -8.014   1.904
  252    H    VAL  37           H        VAL  37  -0.764  -8.949   6.175
  253    HA   VAL  37           HA       VAL  37   1.960  -9.736   5.857
  254    HB   VAL  37           HB       VAL  37  -0.053 -10.879   7.783
  255   1HG1  VAL  37          1HG1      VAL  37   2.098 -12.181   7.489
  256   2HG1  VAL  37          2HG1      VAL  37   2.069 -11.328   9.063
  257   3HG1  VAL  37          3HG1      VAL  37   3.045 -10.658   7.715
  258   1HG2  VAL  37          1HG2      VAL  37   1.758  -8.380   7.964
  259   2HG2  VAL  37          2HG2      VAL  37   0.987  -9.191   9.371
  260   3HG2  VAL  37          3HG2      VAL  37  -0.042  -8.423   8.120
  261    H    GLY  38           H        GLY  38   2.715 -11.481   4.843
  262   1HA   GLY  38          2HA       GLY  38   2.671 -13.614   4.017
  263   2HA   GLY  38          1HA       GLY  38   0.873 -13.585   3.963
  264    H    TYR  39           H        TYR  39   2.726 -10.886   2.790
  265    HA   TYR  39           HA       TYR  39   2.274 -11.667   0.018
  266   1HB   TYR  39          2HB       TYR  39   1.384  -9.024   1.339
  267   2HB   TYR  39          1HB       TYR  39   1.483  -9.283  -0.438
  268    HD1  TYR  39           1HD      TYR  39  -0.173 -10.481  -1.581
  269    HD2  TYR  39           2HD      TYR  39  -0.232 -10.347   2.657
  270    HE1  TYR  39           1HE      TYR  39  -2.505 -11.268  -1.584
  271    HE2  TYR  39           2HE      TYR  39  -2.529 -11.174   2.670
  272    HH   TYR  39           HH       TYR  39  -4.353 -11.564   1.414
  273    H    ILE  40           H        ILE  40   4.082 -11.271  -1.145
  274    HA   ILE  40           HA       ILE  40   6.039  -9.404  -0.011
  275    HB   ILE  40           HB       ILE  40   7.865 -10.879  -0.569
  276   1HG1  ILE  40          2HG1      ILE  40   5.678 -12.972  -1.088
  277   2HG1  ILE  40          1HG1      ILE  40   6.755 -12.234  -2.326
  278   1HG2  ILE  40          1HG2      ILE  40   5.851 -12.151   1.383
  279   2HG2  ILE  40          2HG2      ILE  40   6.875 -10.708   1.738
  280   3HG2  ILE  40          3HG2      ILE  40   7.644 -12.289   1.408
  281   1HD1  ILE  40          1HD1      ILE  40   7.698 -14.412  -1.746
  282   2HD1  ILE  40          2HD1      ILE  40   7.641 -14.044   0.012
  283   3HD1  ILE  40          3HD1      ILE  40   8.772 -13.143  -1.063
  284    H    GLY  41           H        GLY  41   7.839  -9.018  -1.662
  285   1HA   GLY  41          2HA       GLY  41   8.312  -8.226  -3.710
  286   2HA   GLY  41          1HA       GLY  41   6.661  -8.624  -4.296
  287    H    GLU  42           H        GLU  42   8.162  -6.181  -4.695
  288    HA   GLU  42           HA       GLU  42   7.581  -4.185  -2.927
  289   1HB   GLU  42          2HB       GLU  42   9.191  -4.254  -4.928
  290   2HB   GLU  42          1HB       GLU  42   7.800  -3.902  -5.976
  291   1HG   GLU  42          2HG       GLU  42   8.975  -1.813  -5.527
  292   2HG   GLU  42          1HG       GLU  42   7.423  -1.725  -4.628
  293    H    ARG  43           H        ARG  43   5.691  -5.336  -5.673
  294    HA   ARG  43           HA       ARG  43   3.603  -3.366  -5.122
  295   1HB   ARG  43          2HB       ARG  43   2.750  -4.150  -7.401
  296   2HB   ARG  43          1HB       ARG  43   4.194  -3.129  -7.265
  297   1HG   ARG  43          2HG       ARG  43   5.668  -5.153  -7.533
  298   2HG   ARG  43          1HG       ARG  43   4.204  -6.122  -7.914
  299   1HD   ARG  43          2HD       ARG  43   3.788  -4.674  -9.917
  300   2HD   ARG  43          1HD       ARG  43   5.068  -3.521  -9.361
  301    HE   ARG  43           HE       ARG  43   5.838  -6.390  -9.824
  302   1HH1  ARG  43          1HH1      ARG  43   6.324  -3.006 -10.888
  303   2HH1  ARG  43          2HH1      ARG  43   7.220  -3.488 -12.257
  304   1HH2  ARG  43          1HH2      ARG  43   7.336  -6.875 -11.500
  305   2HH2  ARG  43          2HH2      ARG  43   7.780  -5.649 -12.627
  306    H    CYS  44           H        CYS  44   4.079  -5.710  -3.407
  307    HA   CYS  44           HA       CYS  44   2.948  -7.087  -2.236
  308   1HB   CYS  44          2HB       CYS  44   1.450  -4.776  -2.500
  309   2HB   CYS  44          1HB       CYS  44   0.231  -6.009  -2.841
  310    H    GLN  45           H        GLN  45   3.460  -7.996  -4.800
  311    HA   GLN  45           HA       GLN  45   1.123  -8.933  -6.062
  312   1HB   GLN  45          2HB       GLN  45   3.151  -7.997  -7.145
  313   2HB   GLN  45          1HB       GLN  45   4.143  -9.301  -6.488
  314   1HG   GLN  45          2HG       GLN  45   3.736  -9.740  -8.843
  315   2HG   GLN  45          1HG       GLN  45   2.881 -11.009  -7.907
  316   1HE2  GLN  45          1HE2      GLN  45   2.248  -7.637  -8.784
  317   2HE2  GLN  45          2HE2      GLN  45   0.690  -7.870  -9.573
  318    H    TYR  46           H        TYR  46   3.802 -10.588  -4.361
  319    HA   TYR  46           HA       TYR  46   2.804 -13.165  -5.285
  320   1HB   TYR  46          2HB       TYR  46   5.334 -12.327  -3.762
  321   2HB   TYR  46          1HB       TYR  46   4.967 -14.013  -4.285
  322    HD1  TYR  46           1HD      TYR  46   5.320 -14.672  -6.506
  323    HD2  TYR  46           2HD      TYR  46   5.657 -10.555  -5.488
  324    HE1  TYR  46           1HE      TYR  46   6.439 -14.234  -8.635
  325    HE2  TYR  46           2HE      TYR  46   6.808 -10.118  -7.565
  326    HH   TYR  46           HH       TYR  46   7.928 -11.109  -9.298
  327    H    ARG  47           H        ARG  47   1.912 -14.700  -3.883
  328    HA   ARG  47           HA       ARG  47   1.414 -13.693  -1.162
  329   1HB   ARG  47          2HB       ARG  47   0.056 -15.870  -2.805
  330   2HB   ARG  47          1HB       ARG  47  -0.217 -15.604  -1.059
  331   1HG   ARG  47          2HG       ARG  47  -1.728 -14.073  -1.445
  332   2HG   ARG  47          1HG       ARG  47  -0.519 -13.017  -2.202
  333   1HD   ARG  47          2HD       ARG  47  -2.145 -15.169  -3.733
  334   2HD   ARG  47          1HD       ARG  47  -2.643 -13.450  -3.555
  335    HE   ARG  47           HE       ARG  47  -0.566 -12.754  -4.755
  336   1HH1  ARG  47          1HH1      ARG  47  -1.185 -16.318  -5.025
  337   2HH1  ARG  47          2HH1      ARG  47  -0.006 -16.480  -6.243
  338   1HH2  ARG  47          1HH2      ARG  47   0.774 -13.024  -6.445
  339   2HH2  ARG  47          2HH2      ARG  47   1.208 -14.625  -6.974
  340    H    ASP  48           H        ASP  48   2.166 -14.739   0.586
  341    HA   ASP  48           HA       ASP  48   4.121 -16.869   0.093
  342   1HB   ASP  48          2HB       ASP  48   4.715 -14.461   0.986
  343   2HB   ASP  48          1HB       ASP  48   3.956 -14.988   2.523
  344    H    LEU  49           H        LEU  49   2.795 -18.628   0.118
  345    HA   LEU  49           HA       LEU  49   0.518 -18.578   1.846
  346   1HB   LEU  49          2HB       LEU  49   1.438 -20.480  -0.350
  347   2HB   LEU  49          1HB       LEU  49  -0.131 -20.613   0.500
  348    HG   LEU  49           HG       LEU  49   0.751 -18.159  -1.121
  349   1HD1  LEU  49          1HD1      LEU  49  -1.138 -20.473  -1.888
  350   2HD1  LEU  49          2HD1      LEU  49   0.501 -20.157  -2.574
  351   3HD1  LEU  49          3HD1      LEU  49  -0.836 -18.980  -2.854
  352   1HD2  LEU  49          1HD2      LEU  49  -1.718 -17.600  -1.035
  353   2HD2  LEU  49          2HD2      LEU  49  -0.948 -17.546   0.587
  354   3HD2  LEU  49          3HD2      LEU  49  -1.966 -18.962   0.116
  355    H    LYS  50           H        LYS  50   3.321 -19.129   2.878
  356    HA   LYS  50           HA       LYS  50   3.286 -21.819   3.784
  357   1HB   LYS  50          2HB       LYS  50   4.971 -19.396   4.630
  358   2HB   LYS  50          1HB       LYS  50   5.164 -21.048   5.281
  359   1HG   LYS  50          2HG       LYS  50   6.816 -20.939   3.746
  360   2HG   LYS  50          1HG       LYS  50   5.570 -21.877   2.888
  361   1HD   LYS  50          2HD       LYS  50   5.027 -19.947   1.472
  362   2HD   LYS  50          1HD       LYS  50   5.911 -18.836   2.577
  363   1HE   LYS  50          2HE       LYS  50   8.074 -19.920   2.006
  364   2HE   LYS  50          1HE       LYS  50   7.239 -21.013   0.826
  365   1HZ   LYS  50          1HZ       LYS  50   6.763 -19.184  -0.567
  366   2HZ   LYS  50          2HZ       LYS  50   8.303 -18.858  -0.007
  367   3HZ   LYS  50          3HZ       LYS  50   6.983 -18.051   0.654
  368    H    TRP  51           H        TRP  51   2.384 -18.714   5.299
  369    HA   TRP  51           HA       TRP  51   1.824 -20.039   7.766
  370   1HB   TRP  51          2HB       TRP  51   1.293 -18.005   8.695
  371   2HB   TRP  51          1HB       TRP  51   2.626 -17.664   7.555
  372    HD1  TRP  51           HD       TRP  51   2.033 -15.779   5.664
  373    HE1  TRP  51           1HE      TRP  51  -0.034 -14.242   5.335
  374    HE3  TRP  51           3HE      TRP  51  -1.147 -17.950   8.975
  375    HZ2  TRP  51           2HZ      TRP  51  -2.666 -14.111   6.224
  376    HZ3  TRP  51           3HZ      TRP  51  -3.418 -17.074   9.184
  377    HH2  TRP  51           HH       TRP  51  -4.173 -15.194   7.836
  378    H    TRP  52           H        TRP  52  -0.018 -19.089   4.989
  379    HA   TRP  52           HA       TRP  52  -2.577 -19.185   5.964
  380   1HB   TRP  52          2HB       TRP  52  -1.480 -19.925   3.202
  381   2HB   TRP  52          1HB       TRP  52  -3.218 -19.722   3.552
  382    HD1  TRP  52           HD       TRP  52  -0.001 -17.419   3.688
  383    HE1  TRP  52           1HE      TRP  52  -0.745 -15.138   2.771
  384    HE3  TRP  52           3HE      TRP  52  -4.993 -18.305   3.361
  385    HZ2  TRP  52           2HZ      TRP  52  -3.165 -13.865   2.113
  386    HZ3  TRP  52           3HZ      TRP  52  -6.465 -16.499   2.638
  387    HH2  TRP  52           HH       TRP  52  -5.573 -14.320   2.007
  388    H    GLU  53           H        GLU  53  -0.679 -21.875   4.615
  389    HA   GLU  53           HA       GLU  53  -2.636 -23.731   5.811
  390   1HB   GLU  53          2HB       GLU  53  -0.879 -24.048   3.343
  391   2HB   GLU  53          1HB       GLU  53  -1.701 -25.408   4.173
  392   1HG   GLU  53          2HG       GLU  53  -3.918 -24.299   3.848
  393   2HG   GLU  53          1HG       GLU  53  -3.122 -22.989   2.899
  394    H    LEU  54           H        LEU  54  -1.098 -22.737   7.642
  395    HA   LEU  54           HA       LEU  54   1.053 -24.675   8.031
  396   1HB   LEU  54          2HB       LEU  54   1.671 -22.299   8.198
  397   2HB   LEU  54          1HB       LEU  54   0.428 -22.039   9.449
  398    HG   LEU  54           HG       LEU  54   1.654 -23.395  11.049
  399   1HD1  LEU  54          1HD1      LEU  54   3.862 -24.465  10.512
  400   2HD1  LEU  54          2HD1      LEU  54   3.603 -24.121   8.765
  401   3HD1  LEU  54          3HD1      LEU  54   2.502 -25.253   9.640
  402   1HD2  LEU  54          1HD2      LEU  54   3.573 -21.573   9.441
  403   2HD2  LEU  54          2HD2      LEU  54   3.827 -22.106  11.140
  404   3HD2  LEU  54          3HD2      LEU  54   2.427 -21.040  10.730
  Start of MODEL   22
    1   1H    VAL   1          1HT       VAL   1   5.221  18.977   7.445
    2   2H    VAL   1          2HT       VAL   1   5.366  17.607   6.475
    3   3H    VAL   1          3HT       VAL   1   6.686  18.179   7.359
    4    HA   VAL   1           HA       VAL   1   5.911  16.352   8.557
    5    HB   VAL   1           HB       VAL   1   4.568  18.753   9.863
    6   1HG1  VAL   1          1HG1      VAL   1   4.215  16.614  11.104
    7   2HG1  VAL   1          2HG1      VAL   1   5.423  17.623  11.955
    8   3HG1  VAL   1          3HG1      VAL   1   5.976  16.226  10.975
    9   1HG2  VAL   1          1HG2      VAL   1   6.848  19.149  10.894
   10   2HG2  VAL   1          2HG2      VAL   1   6.804  19.529   9.150
   11   3HG2  VAL   1          3HG2      VAL   1   7.556  17.987   9.727
   12    H    VAL   2           H        VAL   2   4.112  14.893   9.275
   13    HA   VAL   2           HA       VAL   2   1.747  15.350   7.739
   14    HB   VAL   2           HB       VAL   2   1.086  13.146   8.479
   15   1HG1  VAL   2          1HG1      VAL   2   2.449  13.568   6.395
   16   2HG1  VAL   2          2HG1      VAL   2   2.761  11.955   7.132
   17   3HG1  VAL   2          3HG1      VAL   2   3.955  13.274   7.349
   18   1HG2  VAL   2          1HG2      VAL   2   3.821  13.113   9.941
   19   2HG2  VAL   2          2HG2      VAL   2   2.809  11.680   9.596
   20   3HG2  VAL   2          3HG2      VAL   2   2.191  12.951  10.703
   21    H    SER   3           H        SER   3  -0.070  16.189   8.424
   22    HA   SER   3           HA       SER   3  -0.465  16.503  11.328
   23   1HB   SER   3          2HB       SER   3  -1.429  18.380   9.109
   24   2HB   SER   3          1HB       SER   3  -1.671  18.575  10.881
   25    HG   SER   3           HG       SER   3   0.037  19.799  10.225
   26    H    HIS   4           H        HIS   4  -2.172  16.232   8.178
   27    HA   HIS   4           HA       HIS   4  -4.207  14.670   9.581
   28   1HB   HIS   4          2HB       HIS   4  -4.723  16.926   7.578
   29   2HB   HIS   4          1HB       HIS   4  -5.893  15.600   7.873
   30    HD1  HIS   4           1HD      HIS   4  -4.571  18.712   9.658
   31    HD2  HIS   4           2HD      HIS   4  -7.273  15.538  10.254
   32    HE1  HIS   4           1HE      HIS   4  -5.931  19.295  11.626
   33    HE2  HIS   4           2HE      HIS   4  -7.554  17.416  11.991
   34    H    PHE   5           H        PHE   5  -5.216  13.044   8.347
   35    HA   PHE   5           HA       PHE   5  -3.423  12.035   6.295
   36   1HB   PHE   5          2HB       PHE   5  -3.961  10.642   8.276
   37   2HB   PHE   5          1HB       PHE   5  -5.705  10.794   7.917
   38    HD1  PHE   5           1HD      PHE   5  -2.661   9.947   5.834
   39    HD2  PHE   5           2HD      PHE   5  -6.504   8.795   7.253
   40    HE1  PHE   5           1HE      PHE   5  -2.534   7.901   4.517
   41    HE2  PHE   5           2HE      PHE   5  -6.358   6.722   5.957
   42    HZ   PHE   5           HZ       PHE   5  -4.370   6.267   4.593
   43    H    ASN   6           H        ASN   6  -3.914  12.021   4.167
   44    HA   ASN   6           HA       ASN   6  -6.544  13.093   3.440
   45   1HB   ASN   6          2HB       ASN   6  -3.847  13.171   1.979
   46   2HB   ASN   6          1HB       ASN   6  -5.378  13.913   1.384
   47   1HD2  ASN   6          1HD2      ASN   6  -2.681  15.159   2.242
   48   2HD2  ASN   6          2HD2      ASN   6  -3.069  16.239   3.540
   49    H    ASP   7           H        ASP   7  -7.343  12.456   1.218
   50    HA   ASP   7           HA       ASP   7  -7.437   9.623   1.230
   51   1HB   ASP   7          2HB       ASP   7  -9.295   9.941  -0.405
   52   2HB   ASP   7          1HB       ASP   7  -9.526  10.603   1.240
   53    H    CYS   8           H        CYS   8  -5.799   8.618   0.337
   54    HA   CYS   8           HA       CYS   8  -4.674   9.631  -2.089
   55   1HB   CYS   8          2HB       CYS   8  -3.265   8.878  -0.214
   56   2HB   CYS   8          1HB       CYS   8  -3.749   7.203  -0.524
   57    HA   PRO   9           HA       PRO   9  -5.351   5.714  -4.140
   58   1HB   PRO   9          2HB       PRO   9  -6.592   3.493  -3.185
   59   2HB   PRO   9          1HB       PRO   9  -5.080   4.096  -2.420
   60   1HG   PRO   9          2HG       PRO   9  -7.957   4.692  -1.504
   61   2HG   PRO   9          1HG       PRO   9  -6.607   3.997  -0.516
   62   1HD   PRO   9          2HD       PRO   9  -7.160   6.757  -0.629
   63   2HD   PRO   9          1HD       PRO   9  -5.473   6.100  -0.425
   64    H    LEU  10           H        LEU  10  -7.171   7.800  -4.438
   65    HA   LEU  10           HA       LEU  10  -9.763   6.803  -5.047
   66   1HB   LEU  10          2HB       LEU  10  -8.383   9.340  -6.061
   67   2HB   LEU  10          1HB       LEU  10 -10.138   8.998  -6.071
   68    HG   LEU  10           HG       LEU  10  -8.355   9.403  -3.603
   69   1HD1  LEU  10          1HD1      LEU  10 -10.654  11.101  -4.749
   70   2HD1  LEU  10          2HD1      LEU  10  -8.899  11.482  -4.883
   71   3HD1  LEU  10          3HD1      LEU  10  -9.696  11.453  -3.265
   72   1HD2  LEU  10          1HD2      LEU  10 -11.382   8.820  -3.759
   73   2HD2  LEU  10          2HD2      LEU  10 -10.499   9.369  -2.288
   74   3HD2  LEU  10          3HD2      LEU  10 -10.125   7.758  -3.004
   75    H    SER  11           H        SER  11  -6.779   7.257  -6.844
   76    HA   SER  11           HA       SER  11  -7.924   6.442  -9.353
   77   1HB   SER  11          2HB       SER  11  -5.491   6.805 -10.112
   78   2HB   SER  11          1HB       SER  11  -6.330   8.221  -9.420
   79    HG   SER  11           HG       SER  11  -4.320   6.640  -8.234
   80    H    HIS  12           H        HIS  12  -6.849   4.744 -10.644
   81    HA   HIS  12           HA       HIS  12  -6.536   2.356  -9.181
   82   1HB   HIS  12          2HB       HIS  12  -7.514   2.446 -11.456
   83   2HB   HIS  12          1HB       HIS  12  -5.950   2.994 -12.120
   84    HD1  HIS  12           1HD      HIS  12  -4.665   1.045 -13.120
   85    HD2  HIS  12           2HD      HIS  12  -7.199  -0.225 -10.028
   86    HE1  HIS  12           1HE      HIS  12  -4.297  -1.413 -12.858
   87    HE2  HIS  12           2HE      HIS  12  -5.890  -2.167 -11.014
   88    H    ASP  13           H        ASP  13  -4.719   0.996  -8.953
   89    HA   ASP  13           HA       ASP  13  -2.429   2.369  -8.283
   90   1HB   ASP  13          2HB       ASP  13  -3.619   0.008  -7.579
   91   2HB   ASP  13          1HB       ASP  13  -2.312  -0.647  -8.608
   92    H    GLY  14           H        GLY  14  -0.251   1.691  -8.791
   93   1HA   GLY  14          2HA       GLY  14   0.148   1.458 -11.720
   94   2HA   GLY  14          1HA       GLY  14   0.996   2.652 -10.679
   95    H    TYR  15           H        TYR  15   2.387   1.758  -8.951
   96    HA   TYR  15           HA       TYR  15   4.038  -0.208 -10.205
   97   1HB   TYR  15          2HB       TYR  15   4.605   2.126  -9.028
   98   2HB   TYR  15          1HB       TYR  15   4.645   1.154  -7.523
   99    HD1  TYR  15           1HD      TYR  15   6.145  -0.991  -7.619
  100    HD2  TYR  15           2HD      TYR  15   6.389   2.198 -10.416
  101    HE1  TYR  15           1HE      TYR  15   8.337  -1.770  -8.292
  102    HE2  TYR  15           2HE      TYR  15   8.640   1.475 -11.045
  103    HH   TYR  15           HH       TYR  15  10.252  -1.206  -9.434
  104    H    CYS  16           H        CYS  16   2.153   0.094  -7.188
  105    HA   CYS  16           HA       CYS  16   3.350  -2.296  -6.120
  106   1HB   CYS  16          2HB       CYS  16   1.073  -0.514  -5.097
  107   2HB   CYS  16          1HB       CYS  16   1.905  -1.786  -4.145
  108    H    LEU  17           H        LEU  17   2.318  -4.327  -5.794
  109    HA   LEU  17           HA       LEU  17  -0.242  -4.594  -7.199
  110   1HB   LEU  17          2HB       LEU  17   1.905  -6.639  -6.547
  111   2HB   LEU  17          1HB       LEU  17   0.248  -7.058  -7.070
  112    HG   LEU  17           HG       LEU  17   0.656  -5.472  -9.098
  113   1HD1  LEU  17          1HD1      LEU  17   3.547  -6.103  -8.223
  114   2HD1  LEU  17          2HD1      LEU  17   2.838  -4.479  -8.507
  115   3HD1  LEU  17          3HD1      LEU  17   3.086  -5.589  -9.895
  116   1HD2  LEU  17          1HD2      LEU  17   0.225  -7.872  -9.220
  117   2HD2  LEU  17          2HD2      LEU  17   1.938  -8.256  -8.808
  118   3HD2  LEU  17          3HD2      LEU  17   1.544  -7.433 -10.372
  119    H    HIS  18           H        HIS  18  -1.780  -5.991  -6.400
  120    HA   HIS  18           HA       HIS  18  -3.338  -6.459  -4.995
  121   1HB   HIS  18          2HB       HIS  18  -1.131  -7.117  -2.999
  122   2HB   HIS  18          1HB       HIS  18  -2.860  -7.571  -2.840
  123    HD1  HIS  18           1HD      HIS  18   0.238  -8.504  -4.748
  124    HD2  HIS  18           2HD      HIS  18  -3.784  -9.655  -4.477
  125    HE1  HIS  18           1HE      HIS  18  -0.044 -10.561  -6.191
  126    HE2  HIS  18           2HE      HIS  18  -2.386 -11.319  -5.894
  127    H    ASP  19           H        ASP  19  -3.137  -3.831  -5.260
  128    HA   ASP  19           HA       ASP  19  -4.119  -2.079  -4.534
  129   1HB   ASP  19          2HB       ASP  19  -5.803  -3.868  -4.044
  130   2HB   ASP  19          1HB       ASP  19  -5.287  -3.841  -2.329
  131    H    GLY  20           H        GLY  20  -2.087  -1.087  -4.175
  132   1HA   GLY  20          2HA       GLY  20  -0.866  -1.364  -1.608
  133   2HA   GLY  20          1HA       GLY  20  -0.326  -0.421  -3.040
  134    H    VAL  21           H        VAL  21  -0.802   0.034   0.047
  135    HA   VAL  21           HA       VAL  21  -2.686   2.193   0.019
  136    HB   VAL  21           HB       VAL  21  -0.862   1.207   2.231
  137   1HG1  VAL  21          1HG1      VAL  21  -3.319   3.094   2.210
  138   2HG1  VAL  21          2HG1      VAL  21  -1.613   3.586   2.579
  139   3HG1  VAL  21          3HG1      VAL  21  -2.491   2.471   3.679
  140   1HG2  VAL  21          1HG2      VAL  21  -2.474  -0.564   1.509
  141   2HG2  VAL  21          2HG2      VAL  21  -3.821   0.632   1.543
  142   3HG2  VAL  21          3HG2      VAL  21  -3.003   0.158   3.070
  143    H    CYS  22           H        CYS  22  -1.979   3.889  -1.162
  144    HA   CYS  22           HA       CYS  22   0.757   4.744  -1.005
  145   1HB   CYS  22          2HB       CYS  22   0.113   6.433  -2.663
  146   2HB   CYS  22          1HB       CYS  22  -0.324   4.776  -3.133
  147    H    MET  23           H        MET  23   1.592   6.601  -0.125
  148    HA   MET  23           HA       MET  23  -0.319   8.424   1.163
  149   1HB   MET  23          2HB       MET  23   2.327   7.410   2.320
  150   2HB   MET  23          1HB       MET  23   1.440   8.853   2.923
  151   1HG   MET  23          2HG       MET  23  -0.541   7.438   3.435
  152   2HG   MET  23          1HG       MET  23   0.347   5.989   2.894
  153   1HE   MET  23          1HE       MET  23  -0.271   4.841   4.995
  154   2HE   MET  23          2HE       MET  23  -1.131   6.284   5.636
  155   3HE   MET  23          3HE       MET  23   0.045   5.401   6.670
  156    H    TYR  24           H        TYR  24  -0.260  10.134  -0.126
  157    HA   TYR  24           HA       TYR  24   2.398  11.273  -0.742
  158   1HB   TYR  24          2HB       TYR  24   1.338  10.579  -2.842
  159   2HB   TYR  24          1HB       TYR  24  -0.230  11.277  -2.306
  160    HD1  TYR  24           1HD      TYR  24   2.649  13.560  -1.782
  161    HD2  TYR  24           2HD      TYR  24  -0.245  11.990  -4.485
  162    HE1  TYR  24           1HE      TYR  24   2.700  15.628  -3.039
  163    HE2  TYR  24           2HE      TYR  24  -0.138  14.010  -5.794
  164    HH   TYR  24           HH       TYR  24   1.452  16.894  -4.553
  165    H    ILE  25           H        ILE  25   2.710  12.747   0.917
  166    HA   ILE  25           HA       ILE  25   0.401  14.373   1.676
  167    HB   ILE  25           HB       ILE  25   2.991  13.807   3.130
  168   1HG1  ILE  25          2HG1      ILE  25   0.968  13.002   4.777
  169   2HG1  ILE  25          1HG1      ILE  25   0.215  12.582   3.220
  170   1HG2  ILE  25          1HG2      ILE  25   0.471  15.477   3.771
  171   2HG2  ILE  25          2HG2      ILE  25   2.150  16.106   3.523
  172   3HG2  ILE  25          3HG2      ILE  25   1.772  15.092   4.960
  173   1HD1  ILE  25          1HD1      ILE  25   2.226  11.147   2.660
  174   2HD1  ILE  25          2HD1      ILE  25   1.516  10.675   4.247
  175   3HD1  ILE  25          3HD1      ILE  25   3.019  11.660   4.195
  176    H    GLU  26           H        GLU  26   0.344  16.265   0.687
  177    HA   GLU  26           HA       GLU  26   2.303  17.280  -0.937
  178   1HB   GLU  26          2HB       GLU  26  -0.153  18.399   0.444
  179   2HB   GLU  26          1HB       GLU  26   0.837  19.472  -0.577
  180   1HG   GLU  26          2HG       GLU  26  -0.140  16.807  -1.750
  181   2HG   GLU  26          1HG       GLU  26  -1.270  18.189  -1.562
  182    H    ALA  27           H        ALA  27   1.699  18.139   2.489
  183    HA   ALA  27           HA       ALA  27   3.493  20.171   2.685
  184   1HB   ALA  27          1HB       ALA  27   1.857  19.497   4.429
  185   2HB   ALA  27          2HB       ALA  27   3.502  19.638   5.127
  186   3HB   ALA  27          3HB       ALA  27   2.806  18.010   4.767
  187    H    LEU  28           H        LEU  28   4.279  16.715   2.672
  188    HA   LEU  28           HA       LEU  28   7.060  17.256   3.259
  189   1HB   LEU  28          2HB       LEU  28   5.493  14.691   2.708
  190   2HB   LEU  28          1HB       LEU  28   7.277  14.771   2.877
  191    HG   LEU  28           HG       LEU  28   6.854  16.004   5.115
  192   1HD1  LEU  28          1HD1      LEU  28   4.201  14.456   4.808
  193   2HD1  LEU  28          2HD1      LEU  28   4.380  16.246   5.020
  194   3HD1  LEU  28          3HD1      LEU  28   4.844  15.099   6.350
  195   1HD2  LEU  28          1HD2      LEU  28   6.338  12.971   4.774
  196   2HD2  LEU  28          2HD2      LEU  28   6.921  13.785   6.272
  197   3HD2  LEU  28          3HD2      LEU  28   7.953  13.775   4.797
  198    H    ASP  29           H        ASP  29   5.004  16.625   0.499
  199    HA   ASP  29           HA       ASP  29   5.270  16.511  -1.617
  200   1HB   ASP  29          2HB       ASP  29   8.181  17.365  -1.255
  201   2HB   ASP  29          1HB       ASP  29   7.345  17.196  -2.830
  202    H    LYS  30           H        LYS  30   6.170  14.315   0.370
  203    HA   LYS  30           HA       LYS  30   7.658  12.611  -1.461
  204   1HB   LYS  30          2HB       LYS  30   6.903  12.253   1.501
  205   2HB   LYS  30          1HB       LYS  30   8.021  11.198   0.591
  206   1HG   LYS  30          2HG       LYS  30   8.532  14.145   1.319
  207   2HG   LYS  30          1HG       LYS  30   9.145  12.686   2.157
  208   1HD   LYS  30          2HD       LYS  30  10.216  12.018  -0.120
  209   2HD   LYS  30          1HD       LYS  30   9.742  13.652  -0.684
  210   1HE   LYS  30          2HE       LYS  30  12.128  13.606   0.021
  211   2HE   LYS  30          1HE       LYS  30  11.184  14.686   1.122
  212   1HZ   LYS  30          1HZ       LYS  30  11.237  13.094   2.800
  213   2HZ   LYS  30          2HZ       LYS  30  12.788  13.023   2.183
  214   3HZ   LYS  30          3HZ       LYS  30  11.665  11.825   1.785
  215    H    TYR  31           H        TYR  31   7.245  10.488  -1.831
  216    HA   TYR  31           HA       TYR  31   4.477   9.595  -1.552
  217   1HB   TYR  31          2HB       TYR  31   6.705   9.298  -3.597
  218   2HB   TYR  31          1HB       TYR  31   5.730   7.831  -3.306
  219    HD1  TYR  31           1HD      TYR  31   5.068  11.519  -3.760
  220    HD2  TYR  31           2HD      TYR  31   4.080   7.501  -4.713
  221    HE1  TYR  31           1HE      TYR  31   3.346  12.310  -5.318
  222    HE2  TYR  31           2HE      TYR  31   2.369   8.276  -6.274
  223    HH   TYR  31           HH       TYR  31   1.629  10.017  -7.417
  224    H    ALA  32           H        ALA  32   4.023   7.575  -0.727
  225    HA   ALA  32           HA       ALA  32   6.141   5.739  -0.305
  226   1HB   ALA  32          1HB       ALA  32   4.661   6.840   2.157
  227   2HB   ALA  32          2HB       ALA  32   6.406   7.075   1.780
  228   3HB   ALA  32          3HB       ALA  32   5.792   5.428   2.161
  229    H    CYS  33           H        CYS  33   5.122   4.267  -1.524
  230    HA   CYS  33           HA       CYS  33   2.505   3.315  -0.839
  231   1HB   CYS  33          2HB       CYS  33   3.470   3.251  -3.156
  232   2HB   CYS  33          1HB       CYS  33   4.670   2.067  -2.600
  233    H    ASN  34           H        ASN  34   1.965   1.782   0.622
  234    HA   ASN  34           HA       ASN  34   4.021  -0.160   1.366
  235   1HB   ASN  34          2HB       ASN  34   3.436   1.486   3.245
  236   2HB   ASN  34          1HB       ASN  34   1.762   0.846   3.187
  237   1HD2  ASN  34          1HD2      ASN  34   1.860   0.008   5.317
  238   2HD2  ASN  34          2HD2      ASN  34   2.952  -1.242   5.820
  239    H    CYS  35           H        CYS  35   3.172  -2.279   1.867
  240    HA   CYS  35           HA       CYS  35   0.830  -2.874   0.196
  241   1HB   CYS  35          2HB       CYS  35   3.137  -4.644   1.148
  242   2HB   CYS  35          1HB       CYS  35   1.793  -5.173   0.080
  243    H    VAL  36           H        VAL  36  -0.272  -4.968   0.882
  244    HA   VAL  36           HA       VAL  36  -0.981  -4.913   3.666
  245    HB   VAL  36           HB       VAL  36  -2.238  -7.080   2.883
  246   1HG1  VAL  36          1HG1      VAL  36  -3.265  -4.905   3.577
  247   2HG1  VAL  36          2HG1      VAL  36  -4.094  -5.597   2.135
  248   3HG1  VAL  36          3HG1      VAL  36  -2.948  -4.224   1.935
  249   1HG2  VAL  36          1HG2      VAL  36  -2.720  -7.198   0.536
  250   2HG2  VAL  36          2HG2      VAL  36  -0.920  -7.052   0.605
  251   3HG2  VAL  36          3HG2      VAL  36  -1.952  -5.629   0.184
  252    H    VAL  37           H        VAL  37  -0.970  -6.891   4.984
  253    HA   VAL  37           HA       VAL  37   1.721  -7.815   5.066
  254    HB   VAL  37           HB       VAL  37  -0.657  -8.279   6.881
  255   1HG1  VAL  37          1HG1      VAL  37   0.977 -10.125   7.236
  256   2HG1  VAL  37          2HG1      VAL  37   1.117  -8.931   8.565
  257   3HG1  VAL  37          3HG1      VAL  37   2.345  -8.940   7.252
  258   1HG2  VAL  37          1HG2      VAL  37   1.783  -6.387   7.034
  259   2HG2  VAL  37          2HG2      VAL  37   0.560  -6.624   8.328
  260   3HG2  VAL  37          3HG2      VAL  37   0.070  -5.884   6.767
  261    H    GLY  38           H        GLY  38   2.505  -9.787   4.640
  262   1HA   GLY  38          2HA       GLY  38   2.447 -12.067   4.609
  263   2HA   GLY  38          1HA       GLY  38   0.675 -12.050   4.280
  264    H    TYR  39           H        TYR  39   3.386 -10.305   2.761
  265    HA   TYR  39           HA       TYR  39   2.855 -11.642   0.229
  266   1HB   TYR  39          2HB       TYR  39   2.693  -8.644   0.829
  267   2HB   TYR  39          1HB       TYR  39   3.269  -9.204  -0.786
  268    HD1  TYR  39           1HD      TYR  39   1.891 -10.439  -2.256
  269    HD2  TYR  39           2HD      TYR  39   0.356  -9.071   1.464
  270    HE1  TYR  39           1HE      TYR  39  -0.386 -10.931  -3.014
  271    HE2  TYR  39           2HE      TYR  39  -1.913  -9.507   0.689
  272    HH   TYR  39           HH       TYR  39  -3.205 -10.352  -0.917
  273    H    ILE  40           H        ILE  40   4.552 -11.924  -1.060
  274    HA   ILE  40           HA       ILE  40   7.168 -11.043  -0.094
  275    HB   ILE  40           HB       ILE  40   8.010 -13.247  -1.043
  276   1HG1  ILE  40          2HG1      ILE  40   5.112 -14.120  -0.531
  277   2HG1  ILE  40          1HG1      ILE  40   5.715 -13.707  -2.169
  278   1HG2  ILE  40          1HG2      ILE  40   6.234 -13.278   1.479
  279   2HG2  ILE  40          2HG2      ILE  40   7.924 -12.647   1.396
  280   3HG2  ILE  40          3HG2      ILE  40   7.585 -14.395   1.112
  281   1HD1  ILE  40          1HD1      ILE  40   5.821 -16.164  -1.805
  282   2HD1  ILE  40          2HD1      ILE  40   6.838 -15.935  -0.345
  283   3HD1  ILE  40          3HD1      ILE  40   7.488 -15.496  -1.971
  284    H    GLY  41           H        GLY  41   8.792 -11.126  -1.807
  285   1HA   GLY  41          2HA       GLY  41   9.424 -10.652  -3.929
  286   2HA   GLY  41          1HA       GLY  41   7.715 -10.581  -4.466
  287    H    GLU  42           H        GLU  42   9.654  -8.735  -5.213
  288    HA   GLU  42           HA       GLU  42  10.211  -6.652  -3.567
  289   1HB   GLU  42          2HB       GLU  42  11.299  -7.279  -5.726
  290   2HB   GLU  42          1HB       GLU  42   9.856  -6.739  -6.611
  291   1HG   GLU  42          2HG       GLU  42  10.284  -4.351  -5.658
  292   2HG   GLU  42          1HG       GLU  42  11.823  -5.001  -4.982
  293    H    ARG  43           H        ARG  43   7.657  -6.737  -6.018
  294    HA   ARG  43           HA       ARG  43   6.463  -4.301  -4.887
  295   1HB   ARG  43          2HB       ARG  43   5.310  -4.200  -7.148
  296   2HB   ARG  43          1HB       ARG  43   7.066  -3.959  -7.125
  297   1HG   ARG  43          2HG       ARG  43   6.542  -6.815  -7.516
  298   2HG   ARG  43          1HG       ARG  43   5.572  -5.882  -8.661
  299   1HD   ARG  43          2HD       ARG  43   8.594  -5.405  -8.301
  300   2HD   ARG  43          1HD       ARG  43   7.879  -6.526  -9.535
  301    HE   ARG  43           HE       ARG  43   6.439  -4.262 -10.049
  302   1HH1  ARG  43          1HH1      ARG  43   9.988  -4.436  -9.559
  303   2HH1  ARG  43          2HH1      ARG  43  10.309  -3.500 -10.960
  304   1HH2  ARG  43          1HH2      ARG  43   6.892  -2.893 -11.728
  305   2HH2  ARG  43          2HH2      ARG  43   8.529  -2.481 -12.117
  306    H    CYS  44           H        CYS  44   6.171  -7.013  -3.727
  307    HA   CYS  44           HA       CYS  44   4.645  -8.109  -2.690
  308   1HB   CYS  44          2HB       CYS  44   2.812  -5.750  -3.243
  309   2HB   CYS  44          1HB       CYS  44   2.621  -6.953  -1.935
  310    H    GLN  45           H        GLN  45   4.920  -9.170  -5.082
  311    HA   GLN  45           HA       GLN  45   2.399  -9.433  -6.365
  312   1HB   GLN  45          2HB       GLN  45   4.985 -10.970  -6.872
  313   2HB   GLN  45          1HB       GLN  45   3.544 -10.876  -7.931
  314   1HG   GLN  45          2HG       GLN  45   3.882  -8.260  -7.856
  315   2HG   GLN  45          1HG       GLN  45   5.489  -8.616  -7.142
  316   1HE2  GLN  45          1HE2      GLN  45   3.467  -9.826  -9.926
  317   2HE2  GLN  45          2HE2      GLN  45   4.735  -9.627 -11.104
  318    H    TYR  46           H        TYR  46   4.318 -11.784  -4.340
  319    HA   TYR  46           HA       TYR  46   2.083 -13.638  -4.815
  320   1HB   TYR  46          2HB       TYR  46   4.742 -14.578  -3.738
  321   2HB   TYR  46          1HB       TYR  46   3.532 -15.441  -4.726
  322    HD1  TYR  46           1HD      TYR  46   3.276 -14.618  -7.182
  323    HD2  TYR  46           2HD      TYR  46   6.564 -13.609  -4.686
  324    HE1  TYR  46           1HE      TYR  46   4.630 -14.128  -9.163
  325    HE2  TYR  46           2HE      TYR  46   7.918 -13.108  -6.656
  326    HH   TYR  46           HH       TYR  46   7.944 -12.896  -8.876
  327    H    ARG  47           H        ARG  47   1.250 -14.827  -2.949
  328    HA   ARG  47           HA       ARG  47   1.924 -13.451  -0.432
  329   1HB   ARG  47          2HB       ARG  47  -0.204 -13.866   0.442
  330   2HB   ARG  47          1HB       ARG  47  -0.358 -12.943  -1.069
  331   1HG   ARG  47          2HG       ARG  47  -1.335 -14.809  -2.230
  332   2HG   ARG  47          1HG       ARG  47  -0.756 -15.990  -1.009
  333   1HD   ARG  47          2HD       ARG  47  -2.227 -14.992   0.735
  334   2HD   ARG  47          1HD       ARG  47  -2.868 -13.804  -0.475
  335    HE   ARG  47           HE       ARG  47  -3.222 -16.387  -1.647
  336   1HH1  ARG  47          1HH1      ARG  47  -4.400 -14.901   1.416
  337   2HH1  ARG  47          2HH1      ARG  47  -6.048 -15.274   1.023
  338   1HH2  ARG  47          1HH2      ARG  47  -5.220 -17.183  -1.837
  339   2HH2  ARG  47          2HH2      ARG  47  -6.474 -16.881  -0.639
  340    H    ASP  48           H        ASP  48   2.048 -14.549   1.480
  341    HA   ASP  48           HA       ASP  48   2.934 -17.293   1.237
  342   1HB   ASP  48          2HB       ASP  48   2.838 -15.275   3.556
  343   2HB   ASP  48          1HB       ASP  48   3.340 -16.990   3.767
  344    H    LEU  49           H        LEU  49   1.632 -18.978   1.476
  345    HA   LEU  49           HA       LEU  49  -0.935 -18.660   2.800
  346   1HB   LEU  49          2HB       LEU  49   0.274 -20.845   1.043
  347   2HB   LEU  49          1HB       LEU  49  -1.254 -21.050   1.938
  348    HG   LEU  49           HG       LEU  49  -1.771 -20.573  -0.299
  349   1HD1  LEU  49          1HD1      LEU  49  -3.324 -18.702  -0.070
  350   2HD1  LEU  49          2HD1      LEU  49  -2.389 -18.007   1.298
  351   3HD1  LEU  49          3HD1      LEU  49  -3.248 -19.587   1.497
  352   1HD2  LEU  49          1HD2      LEU  49  -1.208 -18.578  -1.568
  353   2HD2  LEU  49          2HD2      LEU  49   0.330 -19.324  -0.972
  354   3HD2  LEU  49          3HD2      LEU  49  -0.340 -17.864  -0.160
  355    H    LYS  50           H        LYS  50   2.205 -20.050   3.276
  356    HA   LYS  50           HA       LYS  50   1.576 -22.295   4.596
  357   1HB   LYS  50          2HB       LYS  50   3.958 -22.397   5.133
  358   2HB   LYS  50          1HB       LYS  50   3.566 -21.960   3.460
  359   1HG   LYS  50          2HG       LYS  50   5.311 -20.501   3.880
  360   2HG   LYS  50          1HG       LYS  50   3.901 -19.460   4.154
  361   1HD   LYS  50          2HD       LYS  50   5.129 -18.954   6.036
  362   2HD   LYS  50          1HD       LYS  50   4.134 -20.320   6.666
  363   1HE   LYS  50          2HE       LYS  50   6.073 -21.902   6.259
  364   2HE   LYS  50          1HE       LYS  50   7.037 -20.531   5.581
  365   1HZ   LYS  50          1HZ       LYS  50   6.589 -21.261   8.300
  366   2HZ   LYS  50          2HZ       LYS  50   6.176 -19.641   8.043
  367   3HZ   LYS  50          3HZ       LYS  50   7.712 -20.200   7.628
  368    H    TRP  51           H        TRP  51   1.422 -19.215   6.221
  369    HA   TRP  51           HA       TRP  51   1.530 -20.637   8.759
  370   1HB   TRP  51          2HB       TRP  51   1.795 -18.728   9.841
  371   2HB   TRP  51          1HB       TRP  51   2.583 -18.336   8.287
  372    HD1  TRP  51           HD       TRP  51  -0.831 -17.690  10.140
  373    HE1  TRP  51           1HE      TRP  51  -1.488 -15.257   9.696
  374    HE3  TRP  51           3HE      TRP  51   2.873 -16.480   6.878
  375    HZ2  TRP  51           2HZ      TRP  51  -0.442 -13.058   8.266
  376    HZ3  TRP  51           3HZ      TRP  51   3.029 -14.184   6.070
  377    HH2  TRP  51           HH       TRP  51   1.414 -12.489   6.768
  378    H    TRP  52           H        TRP  52  -0.760 -19.381   6.513
  379    HA   TRP  52           HA       TRP  52  -2.958 -19.250   8.273
  380   1HB   TRP  52          2HB       TRP  52  -2.904 -19.412   5.213
  381   2HB   TRP  52          1HB       TRP  52  -4.325 -18.964   6.214
  382    HD1  TRP  52           HD       TRP  52  -1.065 -17.475   4.820
  383    HE1  TRP  52           1HE      TRP  52  -1.069 -14.959   5.275
  384    HE3  TRP  52           3HE      TRP  52  -5.109 -17.257   7.867
  385    HZ2  TRP  52           2HZ      TRP  52  -2.754 -13.083   6.577
  386    HZ3  TRP  52           3HZ      TRP  52  -5.864 -15.080   8.685
  387    HH2  TRP  52           HH       TRP  52  -4.715 -13.028   8.047
  388    H    GLU  53           H        GLU  53  -1.977 -21.601   5.796
  389    HA   GLU  53           HA       GLU  53  -4.027 -23.473   6.771
  390   1HB   GLU  53          2HB       GLU  53  -2.421 -23.399   4.185
  391   2HB   GLU  53          1HB       GLU  53  -3.405 -24.804   4.711
  392   1HG   GLU  53          2HG       GLU  53  -5.452 -23.352   4.807
  393   2HG   GLU  53          1HG       GLU  53  -4.494 -21.976   4.158
  394    H    LEU  54           H        LEU  54  -2.666 -23.543   8.713
  395    HA   LEU  54           HA       LEU  54  -0.735 -25.744   8.438
  396   1HB   LEU  54          2HB       LEU  54   0.347 -23.617   9.108
  397   2HB   LEU  54          1HB       LEU  54  -0.827 -23.439  10.439
  398    HG   LEU  54           HG       LEU  54   0.076 -25.533  11.501
  399   1HD1  LEU  54          1HD1      LEU  54   0.964 -26.739   9.521
  400   2HD1  LEU  54          2HD1      LEU  54   2.272 -26.455  10.721
  401   3HD1  LEU  54          3HD1      LEU  54   2.177 -25.432   9.239
  402   1HD2  LEU  54          1HD2      LEU  54   2.219 -24.519  12.273
  403   2HD2  LEU  54          2HD2      LEU  54   0.918 -23.273  12.159
  404   3HD2  LEU  54          3HD2      LEU  54   2.189 -23.371  10.885
  Start of MODEL   23
    1   1H    VAL   1          1HT       VAL   1   6.530  20.474   4.314
    2   2H    VAL   1          2HT       VAL   1   5.531  19.151   4.186
    3   3H    VAL   1          3HT       VAL   1   6.183  19.535   5.669
    4    HA   VAL   1           HA       VAL   1   4.890  21.735   5.406
    5    HB   VAL   1           HB       VAL   1   3.538  19.916   3.356
    6   1HG1  VAL   1          1HG1      VAL   1   2.769  22.774   4.211
    7   2HG1  VAL   1          2HG1      VAL   1   1.803  21.274   4.522
    8   3HG1  VAL   1          3HG1      VAL   1   2.077  21.841   2.852
    9   1HG2  VAL   1          1HG2      VAL   1   4.166  21.764   1.761
   10   2HG2  VAL   1          2HG2      VAL   1   5.594  20.907   2.396
   11   3HG2  VAL   1          3HG2      VAL   1   5.150  22.539   3.049
   12    H    VAL   2           H        VAL   2   2.960  21.908   6.800
   13    HA   VAL   2           HA       VAL   2   2.569  19.479   8.302
   14    HB   VAL   2           HB       VAL   2   1.486  22.263   8.775
   15   1HG1  VAL   2          1HG1      VAL   2   1.174  21.350  11.104
   16   2HG1  VAL   2          2HG1      VAL   2   1.694  19.724  10.545
   17   3HG1  VAL   2          3HG1      VAL   2   0.156  20.452   9.930
   18   1HG2  VAL   2          1HG2      VAL   2   3.967  22.290   8.835
   19   2HG2  VAL   2          2HG2      VAL   2   3.982  20.790   9.848
   20   3HG2  VAL   2          3HG2      VAL   2   3.320  22.325  10.508
   21    H    SER   3           H        SER   3   1.258  18.099   7.236
   22    HA   SER   3           HA       SER   3  -1.377  19.077   6.384
   23   1HB   SER   3          2HB       SER   3   0.230  16.875   5.006
   24   2HB   SER   3          1HB       SER   3  -1.318  17.599   4.447
   25    HG   SER   3           HG       SER   3  -0.158  19.549   4.123
   26    H    HIS   4           H        HIS   4  -2.911  17.112   5.994
   27    HA   HIS   4           HA       HIS   4  -2.805  15.444   8.367
   28   1HB   HIS   4          2HB       HIS   4  -4.954  15.505   6.187
   29   2HB   HIS   4          1HB       HIS   4  -5.064  14.747   7.801
   30    HD1  HIS   4           1HD      HIS   4  -5.060  18.087   6.094
   31    HD2  HIS   4           2HD      HIS   4  -5.874  16.484   9.875
   32    HE1  HIS   4           1HE      HIS   4  -6.231  19.904   7.429
   33    HE2  HIS   4           2HE      HIS   4  -6.666  18.923   9.699
   34    H    PHE   5           H        PHE   5  -3.138  13.082   8.168
   35    HA   PHE   5           HA       PHE   5  -2.184  12.010   5.615
   36   1HB   PHE   5          2HB       PHE   5  -0.718  11.717   7.662
   37   2HB   PHE   5          1HB       PHE   5  -2.062  10.831   8.447
   38    HD1  PHE   5           1HD      PHE   5  -0.482  10.732   5.009
   39    HD2  PHE   5           2HD      PHE   5  -1.467   8.643   8.577
   40    HE1  PHE   5           1HE      PHE   5   0.479   8.699   4.078
   41    HE2  PHE   5           2HE      PHE   5  -0.466   6.606   7.659
   42    HZ   PHE   5           HZ       PHE   5   0.511   6.627   5.407
   43    H    ASN   6           H        ASN   6  -3.712  11.079   4.402
   44    HA   ASN   6           HA       ASN   6  -6.026   9.884   5.750
   45   1HB   ASN   6          2HB       ASN   6  -6.058  11.460   3.123
   46   2HB   ASN   6          1HB       ASN   6  -7.489  10.812   4.007
   47   1HD2  ASN   6          1HD2      ASN   6  -8.189  11.932   5.984
   48   2HD2  ASN   6          2HD2      ASN   6  -7.625  13.550   6.281
   49    H    ASP   7           H        ASP   7  -7.350   8.698   3.832
   50    HA   ASP   7           HA       ASP   7  -5.534   6.707   2.773
   51   1HB   ASP   7          2HB       ASP   7  -7.632   6.154   4.110
   52   2HB   ASP   7          1HB       ASP   7  -8.608   6.967   2.844
   53    H    CYS   8           H        CYS   8  -5.289   6.398   0.540
   54    HA   CYS   8           HA       CYS   8  -4.863   8.581  -0.887
   55   1HB   CYS   8          2HB       CYS   8  -5.269   5.733  -1.827
   56   2HB   CYS   8          1HB       CYS   8  -4.658   7.038  -2.886
   57    HA   PRO   9           HA       PRO   9  -9.081   8.962  -2.381
   58   1HB   PRO   9          2HB       PRO   9  -9.342  11.697  -2.492
   59   2HB   PRO   9          1HB       PRO   9  -9.337  10.755  -0.959
   60   1HG   PRO   9          2HG       PRO   9  -7.085  12.450  -2.092
   61   2HG   PRO   9          1HG       PRO   9  -7.549  12.137  -0.379
   62   1HD   PRO   9          2HD       PRO   9  -5.517  10.763  -1.950
   63   2HD   PRO   9          1HD       PRO   9  -6.104  10.327  -0.296
   64    H    LEU  10           H        LEU  10  -6.911  11.390  -3.846
   65    HA   LEU  10           HA       LEU  10  -8.000  11.109  -6.427
   66   1HB   LEU  10          2HB       LEU  10  -5.420  12.402  -5.418
   67   2HB   LEU  10          1HB       LEU  10  -5.952  12.434  -7.123
   68    HG   LEU  10           HG       LEU  10  -8.077  13.589  -6.415
   69   1HD1  LEU  10          1HD1      LEU  10  -7.889  14.979  -4.281
   70   2HD1  LEU  10          2HD1      LEU  10  -6.536  13.920  -3.757
   71   3HD1  LEU  10          3HD1      LEU  10  -8.203  13.235  -3.985
   72   1HD2  LEU  10          1HD2      LEU  10  -6.931  15.811  -6.262
   73   2HD2  LEU  10          2HD2      LEU  10  -6.161  14.745  -7.497
   74   3HD2  LEU  10          3HD2      LEU  10  -5.375  14.980  -5.889
   75    H    SER  11           H        SER  11  -5.281   9.568  -4.790
   76    HA   SER  11           HA       SER  11  -3.839   9.087  -7.059
   77   1HB   SER  11          2HB       SER  11  -3.422   7.361  -4.611
   78   2HB   SER  11          1HB       SER  11  -2.217   8.160  -5.670
   79    HG   SER  11           HG       SER  11  -2.898  10.144  -4.715
   80    H    HIS  12           H        HIS  12  -3.256   7.215  -8.207
   81    HA   HIS  12           HA       HIS  12  -5.070   4.920  -7.865
   82   1HB   HIS  12          2HB       HIS  12  -4.103   6.084 -10.525
   83   2HB   HIS  12          1HB       HIS  12  -5.076   4.593 -10.316
   84    HD1  HIS  12           1HD      HIS  12  -5.377   8.347 -10.205
   85    HD2  HIS  12           2HD      HIS  12  -7.839   4.973  -9.762
   86    HE1  HIS  12           1HE      HIS  12  -7.732   9.162 -10.264
   87    HE2  HIS  12           2HE      HIS  12  -9.206   7.132 -10.039
   88    H    ASP  13           H        ASP  13  -4.315   2.904  -8.708
   89    HA   ASP  13           HA       ASP  13  -1.682   2.428  -7.821
   90   1HB   ASP  13          2HB       ASP  13  -3.776   0.594  -9.147
   91   2HB   ASP  13          1HB       ASP  13  -2.286   0.025  -8.298
   92    H    GLY  14           H        GLY  14  -0.046   1.157  -8.939
   93   1HA   GLY  14          2HA       GLY  14  -0.120   0.570 -11.621
   94   2HA   GLY  14          1HA       GLY  14   0.612   2.212 -11.440
   95    H    TYR  15           H        TYR  15   2.382   2.331  -9.716
   96    HA   TYR  15           HA       TYR  15   4.353   0.542 -10.504
   97   1HB   TYR  15          2HB       TYR  15   4.652   2.996  -9.775
   98   2HB   TYR  15          1HB       TYR  15   4.525   2.426  -8.077
   99    HD1  TYR  15           1HD      TYR  15   6.420   1.397  -7.084
  100    HD2  TYR  15           2HD      TYR  15   6.303   1.892 -11.300
  101    HE1  TYR  15           1HE      TYR  15   8.684   0.494  -7.245
  102    HE2  TYR  15           2HE      TYR  15   8.572   0.998 -11.477
  103    HH   TYR  15           HH       TYR  15  10.396   0.000  -8.588
  104    H    CYS  16           H        CYS  16   2.564   0.857  -7.447
  105    HA   CYS  16           HA       CYS  16   3.551  -1.785  -6.618
  106   1HB   CYS  16          2HB       CYS  16   2.020   0.354  -5.044
  107   2HB   CYS  16          1HB       CYS  16   2.586  -1.229  -4.390
  108    H    LEU  17           H        LEU  17   2.211  -3.477  -7.018
  109    HA   LEU  17           HA       LEU  17  -0.516  -2.814  -7.834
  110   1HB   LEU  17          2HB       LEU  17  -0.245  -4.320  -9.754
  111   2HB   LEU  17          1HB       LEU  17   0.704  -2.829  -9.821
  112    HG   LEU  17           HG       LEU  17   1.771  -4.796 -10.787
  113   1HD1  LEU  17          1HD1      LEU  17   3.110  -2.816 -10.029
  114   2HD1  LEU  17          2HD1      LEU  17   4.032  -4.363 -10.092
  115   3HD1  LEU  17          3HD1      LEU  17   3.512  -3.700  -8.512
  116   1HD2  LEU  17          1HD2      LEU  17   2.203  -5.888  -7.950
  117   2HD2  LEU  17          2HD2      LEU  17   2.878  -6.532  -9.490
  118   3HD2  LEU  17          3HD2      LEU  17   1.096  -6.580  -9.212
  119    H    HIS  18           H        HIS  18  -1.786  -4.823  -8.280
  120    HA   HIS  18           HA       HIS  18  -2.734  -6.630  -7.653
  121   1HB   HIS  18          2HB       HIS  18  -0.399  -7.576  -8.000
  122   2HB   HIS  18          1HB       HIS  18  -0.235  -7.579  -6.218
  123    HD1  HIS  18           1HD      HIS  18  -0.370 -10.093  -5.764
  124    HD2  HIS  18           2HD      HIS  18  -3.461  -8.808  -8.305
  125    HE1  HIS  18           1HE      HIS  18  -1.891 -12.042  -6.106
  126    HE2  HIS  18           2HE      HIS  18  -3.781 -11.239  -7.562
  127    H    ASP  19           H        ASP  19  -2.988  -4.380  -5.936
  128    HA   ASP  19           HA       ASP  19  -4.118  -3.818  -4.214
  129   1HB   ASP  19          2HB       ASP  19  -5.475  -5.871  -4.500
  130   2HB   ASP  19          1HB       ASP  19  -4.395  -6.714  -3.329
  131    H    GLY  20           H        GLY  20  -2.333  -2.662  -3.652
  132   1HA   GLY  20          2HA       GLY  20  -0.724  -3.720  -1.426
  133   2HA   GLY  20          1HA       GLY  20  -0.298  -2.399  -2.578
  134    H    VAL  21           H        VAL  21   0.028  -1.850   0.122
  135    HA   VAL  21           HA       VAL  21  -2.360  -0.413   0.873
  136    HB   VAL  21           HB       VAL  21   0.237  -0.601   2.376
  137   1HG1  VAL  21          1HG1      VAL  21  -2.635   0.318   3.095
  138   2HG1  VAL  21          2HG1      VAL  21  -1.193   1.392   2.949
  139   3HG1  VAL  21          3HG1      VAL  21  -1.266   0.157   4.248
  140   1HG2  VAL  21          1HG2      VAL  21  -1.046  -2.270   3.763
  141   2HG2  VAL  21          2HG2      VAL  21  -0.764  -2.876   2.101
  142   3HG2  VAL  21          3HG2      VAL  21  -2.386  -2.236   2.560
  143    H    CYS  22           H        CYS  22  -2.667   1.488  -0.067
  144    HA   CYS  22           HA       CYS  22  -0.503   2.884  -1.308
  145   1HB   CYS  22          2HB       CYS  22  -2.677   2.635  -2.395
  146   2HB   CYS  22          1HB       CYS  22  -3.485   3.477  -1.054
  147    H    MET  23           H        MET  23   0.720   4.440  -0.426
  148    HA   MET  23           HA       MET  23  -0.576   6.185   1.546
  149   1HB   MET  23          2HB       MET  23   2.334   5.253   1.515
  150   2HB   MET  23          1HB       MET  23   1.655   6.509   2.607
  151   1HG   MET  23          2HG       MET  23   0.092   4.828   3.573
  152   2HG   MET  23          1HG       MET  23   0.740   3.570   2.485
  153   1HE   MET  23          1HE       MET  23   0.855   2.108   4.445
  154   2HE   MET  23          2HE       MET  23   0.363   3.402   5.590
  155   3HE   MET  23          3HE       MET  23   1.799   2.383   5.947
  156    H    TYR  24           H        TYR  24  -0.676   8.254   0.910
  157    HA   TYR  24           HA       TYR  24   1.385   9.217  -0.932
  158   1HB   TYR  24          2HB       TYR  24  -0.618   8.981  -2.364
  159   2HB   TYR  24          1HB       TYR  24  -1.656   9.721  -1.072
  160    HD1  TYR  24           1HD      TYR  24  -2.165  11.863  -1.248
  161    HD2  TYR  24           2HD      TYR  24   1.446  10.505  -3.061
  162    HE1  TYR  24           1HE      TYR  24  -1.757  14.086  -2.063
  163    HE2  TYR  24           2HE      TYR  24   1.865  12.753  -3.903
  164    HH   TYR  24           HH       TYR  24  -0.494  15.398  -3.335
  165    H    ILE  25           H        ILE  25   2.362  11.077  -0.138
  166    HA   ILE  25           HA       ILE  25   1.338  11.948   2.455
  167    HB   ILE  25           HB       ILE  25   4.156  11.872   1.357
  168   1HG1  ILE  25          2HG1      ILE  25   4.218  10.250   3.495
  169   2HG1  ILE  25          1HG1      ILE  25   2.530   9.917   3.026
  170   1HG2  ILE  25          1HG2      ILE  25   2.892  12.566   4.090
  171   2HG2  ILE  25          2HG2      ILE  25   3.732  13.712   2.966
  172   3HG2  ILE  25          3HG2      ILE  25   4.667  12.398   3.780
  173   1HD1  ILE  25          1HD1      ILE  25   3.368   9.177   0.735
  174   2HD1  ILE  25          2HD1      ILE  25   4.182   8.272   2.055
  175   3HD1  ILE  25          3HD1      ILE  25   5.045   9.614   1.227
  176    H    GLU  26           H        GLU  26   0.126  13.715   1.962
  177    HA   GLU  26           HA       GLU  26   0.719  15.622   0.031
  178   1HB   GLU  26          2HB       GLU  26  -1.005  15.692   2.556
  179   2HB   GLU  26          1HB       GLU  26  -0.921  17.045   1.388
  180   1HG   GLU  26          2HG       GLU  26  -1.691  15.559  -0.453
  181   2HG   GLU  26          1HG       GLU  26  -1.841  14.189   0.705
  182    H    ALA  27           H        ALA  27   1.734  15.321   3.385
  183    HA   ALA  27           HA       ALA  27   2.788  17.797   3.827
  184   1HB   ALA  27          1HB       ALA  27   4.222  16.603   5.514
  185   2HB   ALA  27          2HB       ALA  27   3.821  15.037   4.735
  186   3HB   ALA  27          3HB       ALA  27   2.529  16.000   5.532
  187    H    LEU  28           H        LEU  28   4.131  15.256   1.816
  188    HA   LEU  28           HA       LEU  28   6.644  16.790   1.594
  189   1HB   LEU  28          2HB       LEU  28   6.203  13.779   1.362
  190   2HB   LEU  28          1HB       LEU  28   7.771  14.639   1.230
  191    HG   LEU  28           HG       LEU  28   6.025  14.473   3.745
  192   1HD1  LEU  28          1HD1      LEU  28   8.687  13.091   3.028
  193   2HD1  LEU  28          2HD1      LEU  28   7.073  12.292   3.117
  194   3HD1  LEU  28          3HD1      LEU  28   7.822  12.985   4.604
  195   1HD2  LEU  28          1HD2      LEU  28   8.019  15.421   4.925
  196   2HD2  LEU  28          2HD2      LEU  28   7.315  16.594   3.762
  197   3HD2  LEU  28          3HD2      LEU  28   8.830  15.699   3.340
  198    H    ASP  29           H        ASP  29   3.974  15.597  -0.181
  199    HA   ASP  29           HA       ASP  29   3.402  15.723  -2.222
  200   1HB   ASP  29          2HB       ASP  29   4.978  17.756  -2.370
  201   2HB   ASP  29          1HB       ASP  29   6.137  16.660  -3.183
  202    H    LYS  30           H        LYS  30   4.799  13.440  -0.879
  203    HA   LYS  30           HA       LYS  30   5.883  12.064  -3.240
  204   1HB   LYS  30          2HB       LYS  30   6.627  11.619  -0.320
  205   2HB   LYS  30          1HB       LYS  30   7.385  10.857  -1.748
  206   1HG   LYS  30          2HG       LYS  30   7.516  13.801  -0.924
  207   2HG   LYS  30          1HG       LYS  30   8.828  12.584  -0.854
  208   1HD   LYS  30          2HD       LYS  30   8.838  12.456  -3.354
  209   2HD   LYS  30          1HD       LYS  30   7.437  13.548  -3.432
  210   1HE   LYS  30          2HE       LYS  30   9.426  14.807  -3.996
  211   2HE   LYS  30          1HE       LYS  30   8.745  15.434  -2.447
  212   1HZ   LYS  30          1HZ       LYS  30  10.516  14.436  -1.241
  213   2HZ   LYS  30          2HZ       LYS  30  11.229  15.039  -2.652
  214   3HZ   LYS  30          3HZ       LYS  30  10.880  13.389  -2.504
  215    H    TYR  31           H        TYR  31   5.945   9.761  -3.182
  216    HA   TYR  31           HA       TYR  31   3.399   8.636  -2.225
  217   1HB   TYR  31          2HB       TYR  31   5.186   8.207  -4.677
  218   2HB   TYR  31          1HB       TYR  31   4.188   6.843  -4.093
  219    HD1  TYR  31           1HD      TYR  31   3.920  10.406  -5.197
  220    HD2  TYR  31           2HD      TYR  31   2.019   6.668  -4.581
  221    HE1  TYR  31           1HE      TYR  31   1.941  11.232  -6.382
  222    HE2  TYR  31           2HE      TYR  31   0.037   7.468  -5.799
  223    HH   TYR  31           HH       TYR  31  -0.256  10.812  -6.885
  224    H    ALA  32           H        ALA  32   3.387   6.551  -1.240
  225    HA   ALA  32           HA       ALA  32   5.843   5.112  -1.301
  226   1HB   ALA  32          1HB       ALA  32   5.954   4.745   1.194
  227   2HB   ALA  32          2HB       ALA  32   4.547   5.859   1.406
  228   3HB   ALA  32          3HB       ALA  32   6.120   6.492   0.812
  229    H    CYS  33           H        CYS  33   5.593   2.861  -0.439
  230    HA   CYS  33           HA       CYS  33   2.776   2.006  -0.539
  231   1HB   CYS  33          2HB       CYS  33   5.189   0.513  -1.696
  232   2HB   CYS  33          1HB       CYS  33   3.479  -0.027  -1.727
  233    H    ASN  34           H        ASN  34   2.190   0.512   1.037
  234    HA   ASN  34           HA       ASN  34   4.437  -0.816   2.341
  235   1HB   ASN  34          2HB       ASN  34   3.210   1.005   3.798
  236   2HB   ASN  34          1HB       ASN  34   1.892  -0.210   3.923
  237   1HD2  ASN  34          1HD2      ASN  34   2.141  -1.396   5.828
  238   2HD2  ASN  34          2HD2      ASN  34   3.670  -1.761   6.587
  239    H    CYS  35           H        CYS  35   3.684  -2.932   3.404
  240    HA   CYS  35           HA       CYS  35   1.568  -4.134   1.758
  241   1HB   CYS  35          2HB       CYS  35   4.198  -5.411   2.668
  242   2HB   CYS  35          1HB       CYS  35   2.875  -6.260   1.803
  243    H    VAL  36           H        VAL  36   0.400  -5.829   2.736
  244    HA   VAL  36           HA       VAL  36   0.102  -5.626   5.560
  245    HB   VAL  36           HB       VAL  36  -1.460  -7.705   4.919
  246   1HG1  VAL  36          1HG1      VAL  36  -2.016  -4.763   4.153
  247   2HG1  VAL  36          2HG1      VAL  36  -2.188  -5.464   5.810
  248   3HG1  VAL  36          3HG1      VAL  36  -3.247  -6.034   4.469
  249   1HG2  VAL  36          1HG2      VAL  36  -0.442  -7.745   2.538
  250   2HG2  VAL  36          2HG2      VAL  36  -1.319  -6.187   2.243
  251   3HG2  VAL  36          3HG2      VAL  36  -2.241  -7.660   2.657
  252    H    VAL  37           H        VAL  37   0.019  -7.616   6.935
  253    HA   VAL  37           HA       VAL  37   2.546  -8.878   6.740
  254    HB   VAL  37           HB       VAL  37   0.247  -9.278   8.660
  255   1HG1  VAL  37          1HG1      VAL  37   3.198 -10.222   8.763
  256   2HG1  VAL  37          2HG1      VAL  37   1.742 -11.291   8.686
  257   3HG1  VAL  37          3HG1      VAL  37   2.034 -10.276  10.135
  258   1HG2  VAL  37          1HG2      VAL  37   1.199  -6.953   8.693
  259   2HG2  VAL  37          2HG2      VAL  37   2.864  -7.632   8.797
  260   3HG2  VAL  37          3HG2      VAL  37   1.701  -7.870  10.151
  261    H    GLY  38           H        GLY  38   3.093 -10.736   5.825
  262   1HA   GLY  38          2HA       GLY  38   2.843 -12.914   5.236
  263   2HA   GLY  38          1HA       GLY  38   1.051 -12.752   5.274
  264    H    TYR  39           H        TYR  39   2.807 -10.232   3.794
  265    HA   TYR  39           HA       TYR  39   2.579 -11.398   1.110
  266   1HB   TYR  39          2HB       TYR  39   1.841  -8.606   2.141
  267   2HB   TYR  39          1HB       TYR  39   2.485  -8.786   0.475
  268    HD1  TYR  39           1HD      TYR  39  -0.172 -10.246   2.716
  269    HD2  TYR  39           2HD      TYR  39   1.092  -9.201  -1.206
  270    HE1  TYR  39           1HE      TYR  39  -2.403 -10.753   1.860
  271    HE2  TYR  39           2HE      TYR  39  -1.152  -9.590  -2.045
  272    HH   TYR  39           HH       TYR  39  -3.255 -10.125  -1.531
  273    H    ILE  40           H        ILE  40   4.311 -11.124  -0.186
  274    HA   ILE  40           HA       ILE  40   6.623  -9.713   0.884
  275    HB   ILE  40           HB       ILE  40   8.059 -11.629   0.069
  276   1HG1  ILE  40          2HG1      ILE  40   5.368 -13.117   0.286
  277   2HG1  ILE  40          1HG1      ILE  40   6.311 -12.828  -1.216
  278   1HG2  ILE  40          1HG2      ILE  40   6.258 -12.089   2.514
  279   2HG2  ILE  40          2HG2      ILE  40   7.640 -10.937   2.452
  280   3HG2  ILE  40          3HG2      ILE  40   7.934 -12.699   2.255
  281   1HD1  ILE  40          1HD1      ILE  40   6.731 -15.113  -0.438
  282   2HD1  ILE  40          2HD1      ILE  40   7.171 -14.542   1.203
  283   3HD1  ILE  40          3HD1      ILE  40   8.238 -14.156  -0.197
  284    H    GLY  41           H        GLY  41   8.400  -9.690  -0.818
  285   1HA   GLY  41          2HA       GLY  41   8.982  -9.229  -2.962
  286   2HA   GLY  41          1HA       GLY  41   7.252  -9.028  -3.424
  287    H    GLU  42           H        GLU  42   9.656  -7.234  -3.767
  288    HA   GLU  42           HA       GLU  42   9.241  -4.952  -2.111
  289   1HB   GLU  42          2HB       GLU  42  11.410  -5.297  -3.137
  290   2HB   GLU  42          1HB       GLU  42  10.655  -5.582  -4.725
  291   1HG   GLU  42          2HG       GLU  42   9.978  -3.169  -4.878
  292   2HG   GLU  42          1HG       GLU  42  10.770  -2.864  -3.284
  293    H    ARG  43           H        ARG  43   8.080  -6.162  -5.192
  294    HA   ARG  43           HA       ARG  43   6.484  -3.833  -5.712
  295   1HB   ARG  43          2HB       ARG  43   5.923  -4.902  -7.762
  296   2HB   ARG  43          1HB       ARG  43   7.661  -5.104  -7.436
  297   1HG   ARG  43          2HG       ARG  43   6.752  -7.454  -6.365
  298   2HG   ARG  43          1HG       ARG  43   5.463  -7.158  -7.570
  299   1HD   ARG  43          2HD       ARG  43   8.494  -7.493  -8.046
  300   2HD   ARG  43          1HD       ARG  43   7.160  -8.599  -8.571
  301    HE   ARG  43           HE       ARG  43   7.050  -5.794  -9.605
  302   1HH1  ARG  43          1HH1      ARG  43   8.688  -8.945 -10.241
  303   2HH1  ARG  43          2HH1      ARG  43   9.344  -8.287 -11.672
  304   1HH2  ARG  43          1HH2      ARG  43   7.706  -5.226 -11.577
  305   2HH2  ARG  43          2HH2      ARG  43   8.676  -6.285 -12.566
  306    H    CYS  44           H        CYS  44   6.067  -5.924  -3.359
  307    HA   CYS  44           HA       CYS  44   4.491  -6.477  -2.063
  308   1HB   CYS  44          2HB       CYS  44   4.148  -3.934  -2.559
  309   2HB   CYS  44          1HB       CYS  44   2.649  -4.447  -3.368
  310    H    GLN  45           H        GLN  45   4.536  -8.117  -4.397
  311    HA   GLN  45           HA       GLN  45   1.801  -8.226  -5.297
  312   1HB   GLN  45          2HB       GLN  45   3.927  -8.171  -6.698
  313   2HB   GLN  45          1HB       GLN  45   4.175  -9.887  -6.254
  314   1HG   GLN  45          2HG       GLN  45   1.747 -10.271  -7.219
  315   2HG   GLN  45          1HG       GLN  45   1.867  -8.575  -7.830
  316   1HE2  GLN  45          1HE2      GLN  45   4.308  -8.301  -8.920
  317   2HE2  GLN  45          2HE2      GLN  45   4.581  -9.490 -10.161
  318    H    TYR  46           H        TYR  46   4.003 -10.421  -3.508
  319    HA   TYR  46           HA       TYR  46   2.298 -12.632  -4.266
  320   1HB   TYR  46          2HB       TYR  46   4.922 -12.855  -2.738
  321   2HB   TYR  46          1HB       TYR  46   4.132 -14.070  -3.790
  322    HD1  TYR  46           1HD      TYR  46   3.909 -13.354  -6.309
  323    HD2  TYR  46           2HD      TYR  46   6.620 -11.629  -3.538
  324    HE1  TYR  46           1HE      TYR  46   5.304 -12.580  -8.164
  325    HE2  TYR  46           2HE      TYR  46   8.011 -10.825  -5.382
  326    HH   TYR  46           HH       TYR  46   7.149 -11.442  -8.769
  327    H    ARG  47           H        ARG  47   1.034 -13.766  -2.817
  328    HA   ARG  47           HA       ARG  47   1.292 -12.979   0.002
  329   1HB   ARG  47          2HB       ARG  47  -0.892 -13.884   0.397
  330   2HB   ARG  47          1HB       ARG  47  -0.887 -12.614  -0.857
  331   1HG   ARG  47          2HG       ARG  47  -0.966 -14.400  -2.645
  332   2HG   ARG  47          1HG       ARG  47  -1.133 -15.634  -1.360
  333   1HD   ARG  47          2HD       ARG  47  -3.247 -14.489  -0.572
  334   2HD   ARG  47          1HD       ARG  47  -3.081 -13.265  -1.883
  335    HE   ARG  47           HE       ARG  47  -4.068 -15.999  -2.139
  336   1HH1  ARG  47          1HH1      ARG  47  -2.557 -13.317  -3.980
  337   2HH1  ARG  47          2HH1      ARG  47  -2.970 -14.029  -5.493
  338   1HH2  ARG  47          1HH2      ARG  47  -4.457 -16.915  -4.275
  339   2HH2  ARG  47          2HH2      ARG  47  -4.433 -15.775  -5.596
  340    H    ASP  48           H        ASP  48   1.674 -14.448   1.615
  341    HA   ASP  48           HA       ASP  48   2.876 -16.931   0.742
  342   1HB   ASP  48          2HB       ASP  48   4.053 -15.293   2.270
  343   2HB   ASP  48          1HB       ASP  48   2.773 -15.577   3.497
  344    H    LEU  49           H        LEU  49   1.495 -18.642   0.514
  345    HA   LEU  49           HA       LEU  49  -0.930 -18.663   2.052
  346   1HB   LEU  49          2HB       LEU  49   0.156 -20.647  -0.006
  347   2HB   LEU  49          1HB       LEU  49  -1.496 -20.642   0.689
  348    HG   LEU  49           HG       LEU  49  -0.270 -18.463  -1.088
  349   1HD1  LEU  49          1HD1      LEU  49  -2.047 -19.211  -2.701
  350   2HD1  LEU  49          2HD1      LEU  49  -2.558 -20.484  -1.540
  351   3HD1  LEU  49          3HD1      LEU  49  -0.923 -20.566  -2.281
  352   1HD2  LEU  49          1HD2      LEU  49  -2.599 -17.486  -1.087
  353   2HD2  LEU  49          2HD2      LEU  49  -1.793 -17.347   0.514
  354   3HD2  LEU  49          3HD2      LEU  49  -3.056 -18.616   0.237
  355    H    LYS  50           H        LYS  50   2.207 -19.920   2.731
  356    HA   LYS  50           HA       LYS  50   1.638 -22.435   3.615
  357   1HB   LYS  50          2HB       LYS  50   3.697 -21.617   2.771
  358   2HB   LYS  50          1HB       LYS  50   3.717 -20.222   3.867
  359   1HG   LYS  50          2HG       LYS  50   4.040 -23.103   4.888
  360   2HG   LYS  50          1HG       LYS  50   5.378 -22.069   4.246
  361   1HD   LYS  50          2HD       LYS  50   4.383 -20.238   5.854
  362   2HD   LYS  50          1HD       LYS  50   3.716 -21.628   6.758
  363   1HE   LYS  50          2HE       LYS  50   6.049 -22.534   7.110
  364   2HE   LYS  50          1HE       LYS  50   6.723 -21.186   6.102
  365   1HZ   LYS  50          1HZ       LYS  50   6.787 -20.659   8.511
  366   2HZ   LYS  50          2HZ       LYS  50   5.116 -20.881   8.583
  367   3HZ   LYS  50          3HZ       LYS  50   5.759 -19.620   7.646
  368    H    TRP  51           H        TRP  51   1.429 -19.345   5.331
  369    HA   TRP  51           HA       TRP  51   0.982 -20.721   7.837
  370   1HB   TRP  51          2HB       TRP  51   0.954 -18.577   8.877
  371   2HB   TRP  51          1HB       TRP  51   2.359 -18.693   7.767
  372    HD1  TRP  51           HD       TRP  51   2.127 -17.151   5.405
  373    HE1  TRP  51           1HE      TRP  51   0.634 -15.153   4.884
  374    HE3  TRP  51           3HE      TRP  51  -0.986 -17.359   9.410
  375    HZ2  TRP  51           2HZ      TRP  51  -1.223 -13.517   6.280
  376    HZ3  TRP  51           3HZ      TRP  51  -2.621 -15.568   9.733
  377    HH2  TRP  51           HH       TRP  51  -2.736 -13.681   8.204
  378    H    TRP  52           H        TRP  52  -0.919 -19.166   5.356
  379    HA   TRP  52           HA       TRP  52  -3.354 -19.109   6.766
  380   1HB   TRP  52          2HB       TRP  52  -2.714 -19.319   3.770
  381   2HB   TRP  52          1HB       TRP  52  -4.384 -19.218   4.407
  382    HD1  TRP  52           HD       TRP  52  -1.853 -16.883   3.108
  383    HE1  TRP  52           1HE      TRP  52  -2.539 -14.477   3.724
  384    HE3  TRP  52           3HE      TRP  52  -5.416 -17.933   6.567
  385    HZ2  TRP  52           2HZ      TRP  52  -4.503 -13.223   5.302
  386    HZ3  TRP  52           3HZ      TRP  52  -6.652 -16.094   7.590
  387    HH2  TRP  52           HH       TRP  52  -6.201 -13.780   6.981
  388    H    GLU  53           H        GLU  53  -1.974 -21.570   4.590
  389    HA   GLU  53           HA       GLU  53  -4.107 -23.402   5.172
  390   1HB   GLU  53          2HB       GLU  53  -1.514 -23.681   3.601
  391   2HB   GLU  53          1HB       GLU  53  -2.776 -24.945   3.675
  392   1HG   GLU  53          2HG       GLU  53  -3.311 -22.103   2.597
  393   2HG   GLU  53          1HG       GLU  53  -2.732 -23.462   1.589
  394    H    LEU  54           H        LEU  54  -3.248 -22.837   7.566
  395    HA   LEU  54           HA       LEU  54  -1.952 -25.325   8.409
  396   1HB   LEU  54          2HB       LEU  54  -0.644 -23.112   8.737
  397   2HB   LEU  54          1HB       LEU  54  -1.876 -22.678   9.945
  398    HG   LEU  54           HG       LEU  54  -0.144 -25.231  10.008
  399   1HD1  LEU  54          1HD1      LEU  54   1.263 -24.058  11.698
  400   2HD1  LEU  54          2HD1      LEU  54   0.291 -22.555  11.476
  401   3HD1  LEU  54          3HD1      LEU  54   1.286 -23.196  10.111
  402   1HD2  LEU  54          1HD2      LEU  54  -0.721 -25.287  12.456
  403   2HD2  LEU  54          2HD2      LEU  54  -2.183 -25.468  11.421
  404   3HD2  LEU  54          3HD2      LEU  54  -1.834 -23.888  12.221
  Start of MODEL   24
    1   1H    VAL   1          1HT       VAL   1   6.647  18.927   8.365
    2   2H    VAL   1          2HT       VAL   1   6.598  18.413   6.779
    3   3H    VAL   1          3HT       VAL   1   7.927  18.103   7.707
    4    HA   VAL   1           HA       VAL   1   6.354  16.160   7.413
    5    HB   VAL   1           HB       VAL   1   6.916  16.987  10.282
    6   1HG1  VAL   1          1HG1      VAL   1   7.031  14.495  10.625
    7   2HG1  VAL   1          2HG1      VAL   1   6.464  14.221   8.948
    8   3HG1  VAL   1          3HG1      VAL   1   5.385  15.002  10.167
    9   1HG2  VAL   1          1HG2      VAL   1   9.036  17.089   9.042
   10   2HG2  VAL   1          2HG2      VAL   1   8.675  15.542   8.177
   11   3HG2  VAL   1          3HG2      VAL   1   8.980  15.553   9.944
   12    H    VAL   2           H        VAL   2   4.190  15.663   7.170
   13    HA   VAL   2           HA       VAL   2   2.506  16.328   9.399
   14    HB   VAL   2           HB       VAL   2   1.732  16.660   6.468
   15   1HG1  VAL   2          1HG1      VAL   2  -0.106  15.448   7.651
   16   2HG1  VAL   2          2HG1      VAL   2  -0.565  17.165   7.380
   17   3HG1  VAL   2          3HG1      VAL   2  -0.031  16.634   9.011
   18   1HG2  VAL   2          1HG2      VAL   2   1.672  18.612   8.867
   19   2HG2  VAL   2          2HG2      VAL   2   1.046  18.947   7.216
   20   3HG2  VAL   2          3HG2      VAL   2   2.804  18.695   7.463
   21    H    SER   3           H        SER   3   1.380  14.458   9.977
   22    HA   SER   3           HA       SER   3   1.630  12.192   8.093
   23   1HB   SER   3          2HB       SER   3   2.984  11.829  10.177
   24   2HB   SER   3          1HB       SER   3   1.473  11.942  11.137
   25    HG   SER   3           HG       SER   3   1.613   9.834  10.681
   26    H    HIS   4           H        HIS   4  -0.341  12.438   7.042
   27    HA   HIS   4           HA       HIS   4  -2.574  11.728   8.773
   28   1HB   HIS   4          2HB       HIS   4  -2.615  13.897   6.632
   29   2HB   HIS   4          1HB       HIS   4  -4.104  13.034   7.156
   30    HD1  HIS   4           1HD      HIS   4  -3.687  16.123   7.764
   31    HD2  HIS   4           2HD      HIS   4  -3.068  12.956  10.459
   32    HE1  HIS   4           1HE      HIS   4  -3.972  17.053  10.058
   33    HE2  HIS   4           2HE      HIS   4  -3.631  15.149  11.663
   34    H    PHE   5           H        PHE   5  -3.645   9.995   8.187
   35    HA   PHE   5           HA       PHE   5  -2.745   8.673   5.777
   36   1HB   PHE   5          2HB       PHE   5  -4.662   7.714   7.959
   37   2HB   PHE   5          1HB       PHE   5  -3.926   6.705   6.661
   38    HD1  PHE   5           1HD      PHE   5  -1.112   7.570   6.682
   39    HD2  PHE   5           2HD      PHE   5  -3.820   6.887   9.886
   40    HE1  PHE   5           1HE      PHE   5   0.758   7.038   8.139
   41    HE2  PHE   5           2HE      PHE   5  -1.941   6.337  11.355
   42    HZ   PHE   5           HZ       PHE   5   0.359   6.421  10.486
   43    H    ASN   6           H        ASN   6  -3.794   8.792   3.906
   44    HA   ASN   6           HA       ASN   6  -6.612   9.649   3.967
   45   1HB   ASN   6          2HB       ASN   6  -4.540  10.108   1.761
   46   2HB   ASN   6          1HB       ASN   6  -6.216  10.766   1.826
   47   1HD2  ASN   6          1HD2      ASN   6  -6.451  11.813   4.394
   48   2HD2  ASN   6          2HD2      ASN   6  -5.315  13.127   4.512
   49    H    ASP   7           H        ASP   7  -7.600   9.220   1.641
   50    HA   ASP   7           HA       ASP   7  -7.395   6.392   1.117
   51   1HB   ASP   7          2HB       ASP   7  -9.573   6.866  -0.133
   52   2HB   ASP   7          1HB       ASP   7  -9.608   7.096   1.638
   53    H    CYS   8           H        CYS   8  -7.857   5.931  -1.372
   54    HA   CYS   8           HA       CYS   8  -5.959   7.649  -2.844
   55   1HB   CYS   8          2HB       CYS   8  -6.235   4.635  -3.123
   56   2HB   CYS   8          1HB       CYS   8  -4.964   5.698  -3.805
   57    HA   PRO   9           HA       PRO   9  -9.674   6.420  -5.307
   58   1HB   PRO   9          2HB       PRO   9 -11.293   8.631  -5.523
   59   2HB   PRO   9          1HB       PRO   9 -11.298   7.558  -4.077
   60   1HG   PRO   9          2HG       PRO   9  -9.795  10.222  -4.381
   61   2HG   PRO   9          1HG       PRO   9 -10.850   9.669  -3.017
   62   1HD   PRO   9          2HD       PRO   9  -8.061   9.369  -2.969
   63   2HD   PRO   9          1HD       PRO   9  -9.217   8.184  -2.206
   64    H    LEU  10           H        LEU  10  -8.259   9.672  -5.659
   65    HA   LEU  10           HA       LEU  10  -8.689   9.724  -8.464
   66   1HB   LEU  10          2HB       LEU  10  -6.987  11.485  -6.635
   67   2HB   LEU  10          1HB       LEU  10  -7.357  11.862  -8.348
   68    HG   LEU  10           HG       LEU  10  -9.496  11.524  -6.167
   69   1HD1  LEU  10          1HD1      LEU  10  -8.278  14.112  -7.301
   70   2HD1  LEU  10          2HD1      LEU  10  -7.980  13.447  -5.649
   71   3HD1  LEU  10          3HD1      LEU  10  -9.635  13.988  -6.123
   72   1HD2  LEU  10          1HD2      LEU  10 -10.386  11.156  -8.475
   73   2HD2  LEU  10          2HD2      LEU  10  -9.625  12.700  -9.018
   74   3HD2  LEU  10          3HD2      LEU  10 -10.957  12.726  -7.809
   75    H    SER  11           H        SER  11  -5.826   9.246  -6.448
   76    HA   SER  11           HA       SER  11  -4.123   8.915  -8.725
   77   1HB   SER  11          2HB       SER  11  -3.477  10.031  -6.572
   78   2HB   SER  11          1HB       SER  11  -3.529   8.436  -5.760
   79    HG   SER  11           HG       SER  11  -1.495   9.372  -6.709
   80    H    HIS  12           H        HIS  12  -4.495   7.090  -9.922
   81    HA   HIS  12           HA       HIS  12  -4.664   4.521  -8.542
   82   1HB   HIS  12          2HB       HIS  12  -4.731   5.107 -11.539
   83   2HB   HIS  12          1HB       HIS  12  -5.066   3.544 -10.722
   84    HD1  HIS  12           1HD      HIS  12  -7.125   3.883 -12.306
   85    HD2  HIS  12           2HD      HIS  12  -7.119   6.313  -8.898
   86    HE1  HIS  12           1HE      HIS  12  -9.482   4.828 -12.058
   87    HE2  HIS  12           2HE      HIS  12  -9.451   6.199  -9.960
   88    H    ASP  13           H        ASP  13  -2.703   3.573  -7.986
   89    HA   ASP  13           HA       ASP  13  -0.371   4.323  -9.450
   90   1HB   ASP  13          2HB       ASP  13   0.872   3.063  -7.785
   91   2HB   ASP  13          1HB       ASP  13  -0.291   4.176  -6.995
   92    H    GLY  14           H        GLY  14   1.163   2.713 -10.236
   93   1HA   GLY  14          2HA       GLY  14  -0.248   0.456 -11.528
   94   2HA   GLY  14          1HA       GLY  14   1.213   1.315 -12.129
   95    H    TYR  15           H        TYR  15   1.705   1.124  -8.924
   96    HA   TYR  15           HA       TYR  15   3.622  -0.997  -9.436
   97   1HB   TYR  15          2HB       TYR  15   4.200   1.331  -8.540
   98   2HB   TYR  15          1HB       TYR  15   3.432   0.853  -6.989
   99    HD1  TYR  15           1HD      TYR  15   6.246   0.320  -9.286
  100    HD2  TYR  15           2HD      TYR  15   4.434  -0.917  -5.646
  101    HE1  TYR  15           1HE      TYR  15   8.290  -0.868  -8.670
  102    HE2  TYR  15           2HE      TYR  15   6.469  -2.116  -5.030
  103    HH   TYR  15           HH       TYR  15   8.436  -2.967  -5.856
  104    H    CYS  16           H        CYS  16   1.093  -0.273  -6.891
  105    HA   CYS  16           HA       CYS  16   1.936  -2.745  -5.622
  106   1HB   CYS  16          2HB       CYS  16   0.178  -0.413  -4.773
  107   2HB   CYS  16          1HB       CYS  16   0.351  -1.912  -3.790
  108    H    LEU  17           H        LEU  17   0.731  -4.543  -5.443
  109    HA   LEU  17           HA       LEU  17  -1.818  -4.546  -6.867
  110   1HB   LEU  17          2HB       LEU  17  -0.035  -6.882  -6.028
  111   2HB   LEU  17          1HB       LEU  17  -1.590  -6.999  -6.894
  112    HG   LEU  17           HG       LEU  17  -0.010  -7.355  -8.505
  113   1HD1  LEU  17          1HD1      LEU  17  -0.193  -5.550 -10.142
  114   2HD1  LEU  17          2HD1      LEU  17  -0.576  -4.353  -8.863
  115   3HD1  LEU  17          3HD1      LEU  17  -1.743  -5.682  -9.234
  116   1HD2  LEU  17          1HD2      LEU  17   2.022  -6.081  -8.978
  117   2HD2  LEU  17          2HD2      LEU  17   2.034  -6.596  -7.244
  118   3HD2  LEU  17          3HD2      LEU  17   1.659  -4.898  -7.689
  119    H    HIS  18           H        HIS  18  -3.552  -5.667  -6.077
  120    HA   HIS  18           HA       HIS  18  -5.191  -5.800  -4.685
  121   1HB   HIS  18          2HB       HIS  18  -3.098  -7.357  -3.233
  122   2HB   HIS  18          1HB       HIS  18  -4.613  -7.008  -2.353
  123    HD1  HIS  18           1HD      HIS  18  -6.747  -8.007  -3.086
  124    HD2  HIS  18           2HD      HIS  18  -3.586  -9.085  -5.611
  125    HE1  HIS  18           1HE      HIS  18  -7.632  -9.789  -4.644
  126    HE2  HIS  18           2HE      HIS  18  -5.728 -10.398  -6.165
  127    H    ASP  19           H        ASP  19  -4.974  -3.441  -4.829
  128    HA   ASP  19           HA       ASP  19  -5.380  -1.496  -3.983
  129   1HB   ASP  19          2HB       ASP  19  -6.505  -3.259  -1.783
  130   2HB   ASP  19          1HB       ASP  19  -6.550  -1.467  -1.613
  131    H    GLY  20           H        GLY  20  -3.197  -0.841  -4.080
  132   1HA   GLY  20          2HA       GLY  20  -1.495  -1.015  -1.850
  133   2HA   GLY  20          1HA       GLY  20  -1.381   0.056  -3.288
  134    H    VAL  21           H        VAL  21  -1.528   0.128   0.030
  135    HA   VAL  21           HA       VAL  21  -3.310   2.354   0.230
  136    HB   VAL  21           HB       VAL  21  -1.502   1.040   2.258
  137   1HG1  VAL  21          1HG1      VAL  21  -1.833   3.446   2.887
  138   2HG1  VAL  21          2HG1      VAL  21  -2.855   2.392   3.912
  139   3HG1  VAL  21          3HG1      VAL  21  -3.603   3.303   2.556
  140   1HG2  VAL  21          1HG2      VAL  21  -3.732   0.242   3.127
  141   2HG2  VAL  21          2HG2      VAL  21  -3.446  -0.352   1.452
  142   3HG2  VAL  21          3HG2      VAL  21  -4.560   1.034   1.740
  143    H    CYS  22           H        CYS  22  -2.803   4.268  -0.458
  144    HA   CYS  22           HA       CYS  22  -0.103   4.929  -1.052
  145   1HB   CYS  22          2HB       CYS  22  -1.084   6.983  -2.012
  146   2HB   CYS  22          1HB       CYS  22  -1.864   5.495  -2.616
  147    H    MET  23           H        MET  23   1.319   6.229   0.060
  148    HA   MET  23           HA       MET  23   0.028   8.203   1.786
  149   1HB   MET  23          2HB       MET  23   1.662   8.240   3.433
  150   2HB   MET  23          1HB       MET  23   0.937   6.624   3.302
  151   1HG   MET  23          2HG       MET  23   3.026   5.911   3.540
  152   2HG   MET  23          1HG       MET  23   3.083   6.112   1.770
  153   1HE   MET  23          1HE       MET  23   3.254   8.390   5.033
  154   2HE   MET  23          2HE       MET  23   5.030   8.573   5.189
  155   3HE   MET  23          3HE       MET  23   4.295   6.941   5.236
  156    H    TYR  24           H        TYR  24  -0.086   9.827   0.541
  157    HA   TYR  24           HA       TYR  24   2.464  10.977  -0.323
  158   1HB   TYR  24          2HB       TYR  24   1.433  10.286  -2.441
  159   2HB   TYR  24          1HB       TYR  24  -0.183  10.901  -1.890
  160    HD1  TYR  24           1HD      TYR  24   3.302  12.339  -2.063
  161    HD2  TYR  24           2HD      TYR  24  -0.830  12.661  -3.034
  162    HE1  TYR  24           1HE      TYR  24   3.709  14.527  -3.037
  163    HE2  TYR  24           2HE      TYR  24  -0.443  14.829  -4.024
  164    HH   TYR  24           HH       TYR  24   2.765  16.412  -3.861
  165    H    ILE  25           H        ILE  25   2.777  12.557   1.191
  166    HA   ILE  25           HA       ILE  25   0.390  14.033   2.057
  167    HB   ILE  25           HB       ILE  25   3.072  13.634   3.415
  168   1HG1  ILE  25          2HG1      ILE  25   1.350  12.718   5.203
  169   2HG1  ILE  25          1HG1      ILE  25   0.313  12.369   3.793
  170   1HG2  ILE  25          1HG2      ILE  25   0.484  15.163   4.130
  171   2HG2  ILE  25          2HG2      ILE  25   2.107  15.890   3.793
  172   3HG2  ILE  25          3HG2      ILE  25   1.861  14.871   5.261
  173   1HD1  ILE  25          1HD1      ILE  25   3.210  11.338   4.239
  174   2HD1  ILE  25          2HD1      ILE  25   2.129  10.852   2.881
  175   3HD1  ILE  25          3HD1      ILE  25   1.709  10.406   4.567
  176    H    GLU  26           H        GLU  26   0.173  15.886   1.021
  177    HA   GLU  26           HA       GLU  26   2.016  16.806  -0.786
  178   1HB   GLU  26          2HB       GLU  26  -0.473  18.128   0.403
  179   2HB   GLU  26          1HB       GLU  26   0.412  18.697  -1.051
  180   1HG   GLU  26          2HG       GLU  26   0.094  16.408  -2.085
  181   2HG   GLU  26          1HG       GLU  26  -1.005  15.961  -0.734
  182    H    ALA  27           H        ALA  27   1.496  17.865   2.533
  183    HA   ALA  27           HA       ALA  27   2.988  20.138   2.590
  184   1HB   ALA  27          1HB       ALA  27   1.634  19.172   4.477
  185   2HB   ALA  27          2HB       ALA  27   3.296  19.601   5.015
  186   3HB   ALA  27          3HB       ALA  27   2.863  17.878   4.685
  187    H    LEU  28           H        LEU  28   4.182  16.826   2.621
  188    HA   LEU  28           HA       LEU  28   6.946  17.667   2.973
  189   1HB   LEU  28          2HB       LEU  28   5.562  14.962   2.683
  190   2HB   LEU  28          1HB       LEU  28   7.343  15.151   2.709
  191    HG   LEU  28           HG       LEU  28   6.245  16.597   4.973
  192   1HD1  LEU  28          1HD1      LEU  28   5.281  13.683   4.636
  193   2HD1  LEU  28          2HD1      LEU  28   4.281  15.163   4.921
  194   3HD1  LEU  28          3HD1      LEU  28   5.365  14.517   6.220
  195   1HD2  LEU  28          1HD2      LEU  28   7.789  15.010   6.205
  196   2HD2  LEU  28          2HD2      LEU  28   8.566  15.776   4.767
  197   3HD2  LEU  28          3HD2      LEU  28   7.994  14.070   4.689
  198    H    ASP  29           H        ASP  29   4.750  16.208   0.655
  199    HA   ASP  29           HA       ASP  29   4.607  15.946  -1.402
  200   1HB   ASP  29          2HB       ASP  29   5.613  18.282  -1.484
  201   2HB   ASP  29          1HB       ASP  29   7.139  17.519  -2.026
  202    H    LYS  30           H        LYS  30   6.000  14.072   0.311
  203    HA   LYS  30           HA       LYS  30   7.501  12.600  -1.719
  204   1HB   LYS  30          2HB       LYS  30   8.682  11.445  -0.065
  205   2HB   LYS  30          1HB       LYS  30   8.816  13.206   0.157
  206   1HG   LYS  30          2HG       LYS  30   8.681  12.425   2.317
  207   2HG   LYS  30          1HG       LYS  30   7.016  13.003   1.999
  208   1HD   LYS  30          2HD       LYS  30   6.311  10.668   1.526
  209   2HD   LYS  30          1HD       LYS  30   7.955  10.058   1.821
  210   1HE   LYS  30          2HE       LYS  30   6.363  11.631   3.968
  211   2HE   LYS  30          1HE       LYS  30   6.104   9.870   3.705
  212   1HZ   LYS  30          1HZ       LYS  30   8.328   9.408   4.323
  213   2HZ   LYS  30          2HZ       LYS  30   7.622  10.398   5.464
  214   3HZ   LYS  30          3HZ       LYS  30   8.755  11.062   4.427
  215    H    TYR  31           H        TYR  31   7.180  10.498  -2.112
  216    HA   TYR  31           HA       TYR  31   4.462   9.535  -1.612
  217   1HB   TYR  31          2HB       TYR  31   6.476   9.451  -3.894
  218   2HB   TYR  31          1HB       TYR  31   5.417   8.028  -3.728
  219    HD1  TYR  31           1HD      TYR  31   3.257   8.014  -4.415
  220    HD2  TYR  31           2HD      TYR  31   5.372  11.694  -4.265
  221    HE1  TYR  31           1HE      TYR  31   1.562   9.035  -5.846
  222    HE2  TYR  31           2HE      TYR  31   3.649  12.740  -5.662
  223    HH   TYR  31           HH       TYR  31   1.285  10.840  -7.326
  224    H    ALA  32           H        ALA  32   4.073   7.511  -0.817
  225    HA   ALA  32           HA       ALA  32   5.890   5.515  -1.667
  226   1HB   ALA  32          1HB       ALA  32   6.884   6.045   0.589
  227   2HB   ALA  32          2HB       ALA  32   6.257   4.369   0.495
  228   3HB   ALA  32          3HB       ALA  32   5.308   5.638   1.350
  229    H    CYS  33           H        CYS  33   5.004   3.275  -0.890
  230    HA   CYS  33           HA       CYS  33   2.078   3.274  -0.760
  231   1HB   CYS  33          2HB       CYS  33   2.805   2.595  -3.057
  232   2HB   CYS  33          1HB       CYS  33   3.967   1.450  -2.345
  233    H    ASN  34           H        ASN  34   1.318   1.939   0.879
  234    HA   ASN  34           HA       ASN  34   3.296   0.178   2.151
  235   1HB   ASN  34          2HB       ASN  34   2.076   2.093   3.513
  236   2HB   ASN  34          1HB       ASN  34   0.658   1.004   3.470
  237   1HD2  ASN  34          1HD2      ASN  34   1.184  -1.373   4.328
  238   2HD2  ASN  34          2HD2      ASN  34   2.323  -1.438   5.646
  239    H    CYS  35           H        CYS  35   2.805  -2.002   2.229
  240    HA   CYS  35           HA       CYS  35   0.630  -2.768   0.433
  241   1HB   CYS  35          2HB       CYS  35   3.097  -4.287   1.428
  242   2HB   CYS  35          1HB       CYS  35   1.889  -4.902   0.251
  243    H    VAL  36           H        VAL  36  -0.231  -5.083   0.978
  244    HA   VAL  36           HA       VAL  36  -1.430  -4.941   3.529
  245    HB   VAL  36           HB       VAL  36  -1.431  -7.251   1.586
  246   1HG1  VAL  36          1HG1      VAL  36  -3.767  -7.587   2.544
  247   2HG1  VAL  36          2HG1      VAL  36  -3.393  -6.378   3.819
  248   3HG1  VAL  36          3HG1      VAL  36  -2.464  -7.939   3.712
  249   1HG2  VAL  36          1HG2      VAL  36  -3.156  -4.699   1.675
  250   2HG2  VAL  36          2HG2      VAL  36  -3.592  -6.188   0.762
  251   3HG2  VAL  36          3HG2      VAL  36  -2.126  -5.280   0.309
  252    H    VAL  37           H        VAL  37  -1.410  -6.655   5.139
  253    HA   VAL  37           HA       VAL  37   1.300  -7.286   5.800
  254    HB   VAL  37           HB       VAL  37  -1.257  -7.834   7.325
  255   1HG1  VAL  37          1HG1      VAL  37   0.347  -8.015   9.270
  256   2HG1  VAL  37          2HG1      VAL  37   1.735  -7.933   8.129
  257   3HG1  VAL  37          3HG1      VAL  37   0.593  -9.336   8.084
  258   1HG2  VAL  37          1HG2      VAL  37  -0.459  -5.827   8.651
  259   2HG2  VAL  37          2HG2      VAL  37  -0.893  -5.387   6.964
  260   3HG2  VAL  37          3HG2      VAL  37   0.839  -5.559   7.437
  261    H    GLY  38           H        GLY  38   2.301  -9.066   5.403
  262   1HA   GLY  38          2HA       GLY  38   2.629 -11.321   5.407
  263   2HA   GLY  38          1HA       GLY  38   0.890 -11.604   5.066
  264    H    TYR  39           H        TYR  39   2.700  -9.196   3.269
  265    HA   TYR  39           HA       TYR  39   2.658 -10.985   0.939
  266   1HB   TYR  39          2HB       TYR  39   1.889  -8.035   1.150
  267   2HB   TYR  39          1HB       TYR  39   2.329  -8.822  -0.413
  268    HD1  TYR  39           1HD      TYR  39   0.761 -10.031  -1.590
  269    HD2  TYR  39           2HD      TYR  39   0.008  -9.149   2.495
  270    HE1  TYR  39           1HE      TYR  39  -1.527 -10.865  -1.832
  271    HE2  TYR  39           2HE      TYR  39  -2.250 -10.020   2.281
  272    HH   TYR  39           HH       TYR  39  -3.624 -11.223   0.998
  273    H    ILE  40           H        ILE  40   4.276 -10.942  -0.464
  274    HA   ILE  40           HA       ILE  40   6.727  -9.573   0.325
  275    HB   ILE  40           HB       ILE  40   7.899 -11.772  -0.202
  276   1HG1  ILE  40          2HG1      ILE  40   5.114 -12.923   0.413
  277   2HG1  ILE  40          1HG1      ILE  40   5.786 -12.803  -1.242
  278   1HG2  ILE  40          1HG2      ILE  40   7.662 -12.523   2.122
  279   2HG2  ILE  40          2HG2      ILE  40   6.097 -11.665   2.297
  280   3HG2  ILE  40          3HG2      ILE  40   7.625 -10.726   2.084
  281   1HD1  ILE  40          1HD1      ILE  40   6.157 -15.077  -0.347
  282   2HD1  ILE  40          2HD1      ILE  40   6.992 -14.421   1.099
  283   3HD1  ILE  40          3HD1      ILE  40   7.747 -14.242  -0.526
  284    H    GLY  41           H        GLY  41   8.436 -10.115  -1.514
  285   1HA   GLY  41          2HA       GLY  41   8.821 -10.278  -3.746
  286   2HA   GLY  41          1HA       GLY  41   7.084 -10.026  -4.110
  287    H    GLU  42           H        GLU  42   8.945  -8.697  -5.590
  288    HA   GLU  42           HA       GLU  42   9.927  -6.354  -4.563
  289   1HB   GLU  42          2HB       GLU  42   9.188  -7.141  -7.432
  290   2HB   GLU  42          1HB       GLU  42  10.208  -5.737  -6.997
  291   1HG   GLU  42          2HG       GLU  42  10.898  -8.686  -6.359
  292   2HG   GLU  42          1HG       GLU  42  11.565  -7.716  -7.712
  293    H    ARG  43           H        ARG  43   6.866  -6.900  -6.295
  294    HA   ARG  43           HA       ARG  43   6.033  -4.219  -5.385
  295   1HB   ARG  43          2HB       ARG  43   4.401  -4.250  -7.262
  296   2HB   ARG  43          1HB       ARG  43   6.117  -4.139  -7.726
  297   1HG   ARG  43          2HG       ARG  43   6.150  -6.580  -8.254
  298   2HG   ARG  43          1HG       ARG  43   4.380  -6.670  -7.949
  299   1HD   ARG  43          2HD       ARG  43   3.920  -5.127  -9.801
  300   2HD   ARG  43          1HD       ARG  43   5.675  -4.716  -9.974
  301    HE   ARG  43           HE       ARG  43   5.869  -7.358 -10.340
  302   1HH1  ARG  43          1HH1      ARG  43   3.998  -4.816 -12.000
  303   2HH1  ARG  43          2HH1      ARG  43   3.908  -5.732 -13.461
  304   1HH2  ARG  43          1HH2      ARG  43   5.628  -8.544 -12.254
  305   2HH2  ARG  43          2HH2      ARG  43   4.847  -7.831 -13.626
  306    H    CYS  44           H        CYS  44   6.029  -6.528  -3.733
  307    HA   CYS  44           HA       CYS  44   4.773  -7.509  -2.260
  308   1HB   CYS  44          2HB       CYS  44   2.790  -5.271  -2.864
  309   2HB   CYS  44          1HB       CYS  44   2.759  -6.317  -1.414
  310    H    GLN  45           H        GLN  45   4.487  -8.590  -4.893
  311    HA   GLN  45           HA       GLN  45   1.688  -8.912  -5.362
  312   1HB   GLN  45          2HB       GLN  45   3.590  -8.603  -7.082
  313   2HB   GLN  45          1HB       GLN  45   3.976 -10.323  -6.806
  314   1HG   GLN  45          2HG       GLN  45   1.456 -10.810  -7.399
  315   2HG   GLN  45          1HG       GLN  45   1.358  -9.060  -7.833
  316   1HE2  GLN  45          1HE2      GLN  45   2.392  -8.334  -9.706
  317   2HE2  GLN  45          2HE2      GLN  45   3.015  -9.432 -10.925
  318    H    TYR  46           H        TYR  46   4.164 -10.919  -3.810
  319    HA   TYR  46           HA       TYR  46   2.440 -13.253  -4.206
  320   1HB   TYR  46          2HB       TYR  46   5.121 -13.682  -3.009
  321   2HB   TYR  46          1HB       TYR  46   4.215 -14.645  -4.209
  322    HD1  TYR  46           1HD      TYR  46   7.083 -13.049  -3.725
  323    HD2  TYR  46           2HD      TYR  46   3.917 -13.031  -6.566
  324    HE1  TYR  46           1HE      TYR  46   8.610 -12.188  -5.417
  325    HE2  TYR  46           2HE      TYR  46   5.430 -12.147  -8.245
  326    HH   TYR  46           HH       TYR  46   8.869 -11.565  -7.537
  327    H    ARG  47           H        ARG  47   1.970 -14.617  -2.349
  328    HA   ARG  47           HA       ARG  47   1.856 -12.999   0.100
  329   1HB   ARG  47          2HB       ARG  47  -0.251 -13.626  -0.902
  330   2HB   ARG  47          1HB       ARG  47   0.178 -15.355  -0.839
  331   1HG   ARG  47          2HG       ARG  47  -0.090 -15.451   1.530
  332   2HG   ARG  47          1HG       ARG  47   0.209 -13.699   1.728
  333   1HD   ARG  47          2HD       ARG  47  -2.169 -14.318   2.190
  334   2HD   ARG  47          1HD       ARG  47  -1.962 -13.078   0.884
  335    HE   ARG  47           HE       ARG  47  -2.008 -15.600  -0.440
  336   1HH1  ARG  47          1HH1      ARG  47  -4.307 -13.530   1.418
  337   2HH1  ARG  47          2HH1      ARG  47  -5.638 -14.090   0.477
  338   1HH2  ARG  47          1HH2      ARG  47  -3.797 -16.498  -1.313
  339   2HH2  ARG  47          2HH2      ARG  47  -5.404 -15.996  -0.850
  340    H    ASP  48           H        ASP  48   2.519 -13.761   2.073
  341    HA   ASP  48           HA       ASP  48   4.477 -15.869   1.985
  342   1HB   ASP  48          2HB       ASP  48   4.656 -13.450   3.004
  343   2HB   ASP  48          1HB       ASP  48   3.692 -14.100   4.370
  344    H    LEU  49           H        LEU  49   3.862 -17.897   2.382
  345    HA   LEU  49           HA       LEU  49   1.140 -18.277   3.172
  346   1HB   LEU  49          2HB       LEU  49   3.184 -20.309   2.210
  347   2HB   LEU  49          1HB       LEU  49   1.404 -20.508   2.256
  348    HG   LEU  49           HG       LEU  49   2.931 -18.494   0.502
  349   1HD1  LEU  49          1HD1      LEU  49   3.318 -20.871  -0.176
  350   2HD1  LEU  49          2HD1      LEU  49   2.322 -19.977  -1.382
  351   3HD1  LEU  49          3HD1      LEU  49   1.536 -21.135  -0.246
  352   1HD2  LEU  49          1HD2      LEU  49  -0.064 -19.245   0.548
  353   2HD2  LEU  49          2HD2      LEU  49   0.747 -18.200  -0.675
  354   3HD2  LEU  49          3HD2      LEU  49   0.648 -17.655   1.032
  355    H    LYS  50           H        LYS  50   4.085 -18.679   4.888
  356    HA   LYS  50           HA       LYS  50   3.879 -21.235   5.598
  357   1HB   LYS  50          2HB       LYS  50   5.329 -18.960   7.022
  358   2HB   LYS  50          1HB       LYS  50   5.536 -20.681   7.455
  359   1HG   LYS  50          2HG       LYS  50   7.350 -20.154   6.141
  360   2HG   LYS  50          1HG       LYS  50   6.310 -21.194   5.123
  361   1HD   LYS  50          2HD       LYS  50   5.630 -19.300   3.755
  362   2HD   LYS  50          1HD       LYS  50   6.222 -18.127   4.990
  363   1HE   LYS  50          2HE       LYS  50   8.574 -18.794   4.537
  364   2HE   LYS  50          1HE       LYS  50   8.019 -19.966   3.270
  365   1HZ   LYS  50          1HZ       LYS  50   7.352 -17.065   3.242
  366   2HZ   LYS  50          2HZ       LYS  50   7.098 -18.148   2.022
  367   3HZ   LYS  50          3HZ       LYS  50   8.705 -17.731   2.442
  368    H    TRP  51           H        TRP  51   2.311 -18.682   7.508
  369    HA   TRP  51           HA       TRP  51   1.975 -20.578   9.675
  370   1HB   TRP  51          2HB       TRP  51   0.875 -18.813  10.892
  371   2HB   TRP  51          1HB       TRP  51   2.491 -18.345  10.292
  372    HD1  TRP  51           HD       TRP  51  -1.178 -17.256  10.036
  373    HE1  TRP  51           1HE      TRP  51  -1.271 -15.086   8.650
  374    HE3  TRP  51           3HE      TRP  51   3.649 -17.111   8.448
  375    HZ2  TRP  51           2HZ      TRP  51   0.520 -13.453   7.238
  376    HZ3  TRP  51           3HZ      TRP  51   4.379 -15.230   7.069
  377    HH2  TRP  51           HH       TRP  51   2.860 -13.435   6.476
  378    H    TRP  52           H        TRP  52  -0.104 -19.088   7.219
  379    HA   TRP  52           HA       TRP  52  -2.430 -20.167   8.503
  380   1HB   TRP  52          2HB       TRP  52  -3.680 -18.737   6.983
  381   2HB   TRP  52          1HB       TRP  52  -2.390 -17.836   7.823
  382    HD1  TRP  52           HD       TRP  52  -0.224 -17.041   6.224
  383    HE1  TRP  52           1HE      TRP  52  -0.050 -16.722   3.715
  384    HE3  TRP  52           3HE      TRP  52  -4.427 -19.538   4.833
  385    HZ2  TRP  52           2HZ      TRP  52  -1.618 -17.315   1.409
  386    HZ3  TRP  52           3HZ      TRP  52  -4.996 -19.664   2.462
  387    HH2  TRP  52           HH       TRP  52  -3.615 -18.571   0.775
  388    H    GLU  53           H        GLU  53  -0.408 -21.596   6.343
  389    HA   GLU  53           HA       GLU  53  -2.082 -22.345   4.287
  390   1HB   GLU  53          2HB       GLU  53  -0.204 -23.787   3.649
  391   2HB   GLU  53          1HB       GLU  53   0.316 -22.150   4.073
  392   1HG   GLU  53          2HG       GLU  53   1.281 -22.769   6.156
  393   2HG   GLU  53          1HG       GLU  53   0.402 -24.333   6.233
  394    H    LEU  54           H        LEU  54  -3.621 -23.052   6.371
  395    HA   LEU  54           HA       LEU  54  -3.559 -25.922   6.740
  396   1HB   LEU  54          2HB       LEU  54  -5.270 -23.636   7.776
  397   2HB   LEU  54          1HB       LEU  54  -5.783 -25.333   7.974
  398    HG   LEU  54           HG       LEU  54  -4.790 -24.494   9.985
  399   1HD1  LEU  54          1HD1      LEU  54  -4.577 -26.926   9.431
  400   2HD1  LEU  54          2HD1      LEU  54  -3.247 -26.330  10.492
  401   3HD1  LEU  54          3HD1      LEU  54  -2.937 -26.616   8.744
  402   1HD2  LEU  54          1HD2      LEU  54  -2.420 -23.944  10.281
  403   2HD2  LEU  54          2HD2      LEU  54  -3.163 -22.827   9.077
  404   3HD2  LEU  54          3HD2      LEU  54  -2.097 -24.179   8.527
  Start of MODEL   25
    1   1H    VAL   1          1HT       VAL   1   6.041  19.789   6.125
    2   2H    VAL   1          2HT       VAL   1   6.414  20.902   7.317
    3   3H    VAL   1          3HT       VAL   1   4.885  20.889   6.656
    4    HA   VAL   1           HA       VAL   1   5.964  18.545   8.057
    5    HB   VAL   1           HB       VAL   1   4.758  19.281  10.117
    6   1HG1  VAL   1          1HG1      VAL   1   6.566  20.728  10.894
    7   2HG1  VAL   1          2HG1      VAL   1   7.126  21.041   9.219
    8   3HG1  VAL   1          3HG1      VAL   1   7.228  19.377   9.913
    9   1HG2  VAL   1          1HG2      VAL   1   4.718  22.044   8.715
   10   2HG2  VAL   1          2HG2      VAL   1   4.264  21.673  10.407
   11   3HG2  VAL   1          3HG2      VAL   1   3.268  21.029   9.064
   12    H    VAL   2           H        VAL   2   4.336  17.042   8.879
   13    HA   VAL   2           HA       VAL   2   2.028  17.036   7.158
   14    HB   VAL   2           HB       VAL   2   3.510  15.107   7.399
   15   1HG1  VAL   2          1HG1      VAL   2   4.047  15.331   9.868
   16   2HG1  VAL   2          2HG1      VAL   2   3.436  13.702   9.413
   17   3HG1  VAL   2          3HG1      VAL   2   2.349  14.852  10.253
   18   1HG2  VAL   2          1HG2      VAL   2   1.139  14.871   6.633
   19   2HG2  VAL   2          2HG2      VAL   2   0.617  14.590   8.339
   20   3HG2  VAL   2          3HG2      VAL   2   1.723  13.433   7.533
   21    H    SER   3           H        SER   3  -0.129  17.094   7.902
   22    HA   SER   3           HA       SER   3  -0.443  17.594  10.792
   23   1HB   SER   3          2HB       SER   3  -2.490  18.871  10.281
   24   2HB   SER   3          1HB       SER   3  -0.993  19.644   9.679
   25    HG   SER   3           HG       SER   3  -2.524  19.728   8.101
   26    H    HIS   4           H        HIS   4  -2.104  16.308   7.895
   27    HA   HIS   4           HA       HIS   4  -3.072  14.118   9.615
   28   1HB   HIS   4          2HB       HIS   4  -4.809  15.915   8.781
   29   2HB   HIS   4          1HB       HIS   4  -4.600  15.167   7.178
   30    HD1  HIS   4           1HD      HIS   4  -5.582  14.335  10.753
   31    HD2  HIS   4           2HD      HIS   4  -6.298  12.906   6.871
   32    HE1  HIS   4           1HE      HIS   4  -7.405  12.613  10.934
   33    HE2  HIS   4           2HE      HIS   4  -7.854  11.809   8.579
   34    H    PHE   5           H        PHE   5  -3.152  12.027   8.624
   35    HA   PHE   5           HA       PHE   5  -1.506  11.821   6.225
   36   1HB   PHE   5          2HB       PHE   5  -2.360   9.886   8.428
   37   2HB   PHE   5          1HB       PHE   5  -1.805   9.255   6.846
   38    HD1  PHE   5           1HD      PHE   5  -0.734  11.509   9.642
   39    HD2  PHE   5           2HD      PHE   5   0.391   9.138   6.305
   40    HE1  PHE   5           1HE      PHE   5   1.612  11.757  10.264
   41    HE2  PHE   5           2HE      PHE   5   2.747   9.405   6.900
   42    HZ   PHE   5           HZ       PHE   5   3.366  10.709   8.897
   43    H    ASN   6           H        ASN   6  -2.140  10.598   4.432
   44    HA   ASN   6           HA       ASN   6  -5.050  10.596   4.045
   45   1HB   ASN   6          2HB       ASN   6  -2.802  10.713   1.956
   46   2HB   ASN   6          1HB       ASN   6  -4.568  10.863   1.641
   47   1HD2  ASN   6          1HD2      ASN   6  -2.053  12.705   1.393
   48   2HD2  ASN   6          2HD2      ASN   6  -2.621  14.215   2.075
   49    H    ASP   7           H        ASP   7  -6.000   8.896   2.846
   50    HA   ASP   7           HA       ASP   7  -4.342   6.519   2.441
   51   1HB   ASP   7          2HB       ASP   7  -6.407   5.249   2.189
   52   2HB   ASP   7          1HB       ASP   7  -6.360   6.067   3.771
   53    H    CYS   8           H        CYS   8  -5.718   5.421   0.270
   54    HA   CYS   8           HA       CYS   8  -4.264   6.640  -1.661
   55   1HB   CYS   8          2HB       CYS   8  -6.552   4.642  -1.751
   56   2HB   CYS   8          1HB       CYS   8  -5.849   5.229  -3.279
   57    HA   PRO   9           HA       PRO   9  -6.877   9.848  -3.002
   58   1HB   PRO   9          2HB       PRO   9  -5.668  10.666  -5.310
   59   2HB   PRO   9          1HB       PRO   9  -4.755  10.671  -3.755
   60   1HG   PRO   9          2HG       PRO   9  -4.748   8.439  -5.882
   61   2HG   PRO   9          1HG       PRO   9  -3.313   9.309  -5.180
   62   1HD   PRO   9          2HD       PRO   9  -4.316   6.902  -4.172
   63   2HD   PRO   9          1HD       PRO   9  -3.548   8.158  -3.091
   64    H    LEU  10           H        LEU  10  -8.050  10.638  -5.091
   65    HA   LEU  10           HA       LEU  10 -10.011   8.829  -5.627
   66   1HB   LEU  10          2HB       LEU  10  -9.224  11.362  -7.166
   67   2HB   LEU  10          1HB       LEU  10 -10.763  10.476  -7.333
   68    HG   LEU  10           HG       LEU  10 -11.103  10.887  -4.789
   69   1HD1  LEU  10          1HD1      LEU  10 -10.177  13.126  -4.034
   70   2HD1  LEU  10          2HD1      LEU  10  -9.038  13.103  -5.421
   71   3HD1  LEU  10          3HD1      LEU  10  -8.914  11.860  -4.110
   72   1HD2  LEU  10          1HD2      LEU  10 -11.246  13.178  -6.848
   73   2HD2  LEU  10          2HD2      LEU  10 -12.192  13.069  -5.319
   74   3HD2  LEU  10          3HD2      LEU  10 -12.463  11.865  -6.629
   75    H    SER  11           H        SER  11  -7.144   9.554  -7.583
   76    HA   SER  11           HA       SER  11  -8.016   7.827  -9.707
   77   1HB   SER  11          2HB       SER  11  -5.207   8.929  -9.227
   78   2HB   SER  11          1HB       SER  11  -5.847   8.196 -10.742
   79    HG   SER  11           HG       SER  11  -6.497  10.622  -9.486
   80    H    HIS  12           H        HIS  12  -7.224   5.807 -10.239
   81    HA   HIS  12           HA       HIS  12  -6.512   4.218  -7.987
   82   1HB   HIS  12          2HB       HIS  12  -8.137   3.678  -9.891
   83   2HB   HIS  12          1HB       HIS  12  -6.722   3.384 -10.931
   84    HD1  HIS  12           1HD      HIS  12  -5.080   1.287  -9.718
   85    HD2  HIS  12           2HD      HIS  12  -9.172   1.530  -8.775
   86    HE1  HIS  12           1HE      HIS  12  -5.759  -0.944  -8.847
   87    HE2  HIS  12           2HE      HIS  12  -8.201  -0.848  -8.409
   88    H    ASP  13           H        ASP  13  -4.647   2.911  -7.675
   89    HA   ASP  13           HA       ASP  13  -2.238   3.939  -8.647
   90   1HB   ASP  13          2HB       ASP  13  -1.294   2.002  -7.280
   91   2HB   ASP  13          1HB       ASP  13  -2.359   3.140  -6.386
   92    H    GLY  14           H        GLY  14  -0.589   2.815  -9.710
   93   1HA   GLY  14          2HA       GLY  14  -1.376   0.496 -11.323
   94   2HA   GLY  14          1HA       GLY  14  -0.694   1.981 -12.079
   95    H    TYR  15           H        TYR  15   1.202   2.522  -9.947
   96    HA   TYR  15           HA       TYR  15   3.276   0.814 -10.802
   97   1HB   TYR  15          2HB       TYR  15   3.520   3.261 -10.366
   98   2HB   TYR  15          1HB       TYR  15   3.119   2.998  -8.640
   99    HD1  TYR  15           1HD      TYR  15   4.921   2.952  -7.238
  100    HD2  TYR  15           2HD      TYR  15   5.455   1.590 -11.229
  101    HE1  TYR  15           1HE      TYR  15   7.285   2.534  -6.778
  102    HE2  TYR  15           2HE      TYR  15   7.810   1.153 -10.772
  103    HH   TYR  15           HH       TYR  15   9.432   1.080  -9.158
  104    H    CYS  16           H        CYS  16   1.223   0.898  -7.954
  105    HA   CYS  16           HA       CYS  16   2.946  -1.010  -6.578
  106   1HB   CYS  16          2HB       CYS  16   0.483   0.491  -5.584
  107   2HB   CYS  16          1HB       CYS  16   1.607  -0.508  -4.594
  108    H    LEU  17           H        LEU  17   2.285  -3.138  -6.122
  109    HA   LEU  17           HA       LEU  17   0.307  -3.962  -8.069
  110   1HB   LEU  17          2HB       LEU  17   2.779  -5.169  -6.932
  111   2HB   LEU  17          1HB       LEU  17   1.487  -6.267  -7.479
  112    HG   LEU  17           HG       LEU  17   1.408  -5.199  -9.692
  113   1HD1  LEU  17          1HD1      LEU  17   2.176  -2.933  -9.385
  114   2HD1  LEU  17          2HD1      LEU  17   3.409  -3.742 -10.399
  115   3HD1  LEU  17          3HD1      LEU  17   3.724  -3.462  -8.644
  116   1HD2  LEU  17          1HD2      LEU  17   3.540  -6.174 -10.520
  117   2HD2  LEU  17          2HD2      LEU  17   2.735  -7.225  -9.295
  118   3HD2  LEU  17          3HD2      LEU  17   4.171  -6.237  -8.826
  119    H    HIS  18           H        HIS  18  -0.946  -5.767  -7.824
  120    HA   HIS  18           HA       HIS  18  -2.846  -6.460  -7.161
  121   1HB   HIS  18          2HB       HIS  18  -1.165  -7.961  -6.011
  122   2HB   HIS  18          1HB       HIS  18  -1.563  -7.118  -4.486
  123    HD1  HIS  18           1HD      HIS  18  -1.930 -10.057  -4.770
  124    HD2  HIS  18           2HD      HIS  18  -5.054  -7.412  -5.668
  125    HE1  HIS  18           1HE      HIS  18  -4.076 -11.350  -4.514
  126    HE2  HIS  18           2HE      HIS  18  -5.922  -9.786  -5.145
  127    H    ASP  19           H        ASP  19  -2.969  -3.831  -7.030
  128    HA   ASP  19           HA       ASP  19  -3.932  -2.074  -6.248
  129   1HB   ASP  19          2HB       ASP  19  -5.891  -3.989  -4.911
  130   2HB   ASP  19          1HB       ASP  19  -6.195  -2.259  -5.337
  131    H    GLY  20           H        GLY  20  -2.305  -1.171  -5.126
  132   1HA   GLY  20          2HA       GLY  20  -1.600  -2.292  -2.580
  133   2HA   GLY  20          1HA       GLY  20  -0.798  -0.969  -3.492
  134    H    VAL  21           H        VAL  21  -1.203  -1.154  -0.598
  135    HA   VAL  21           HA       VAL  21  -3.298   0.721  -0.042
  136    HB   VAL  21           HB       VAL  21  -1.267  -0.567   1.790
  137   1HG1  VAL  21          1HG1      VAL  21  -2.254   1.551   2.736
  138   2HG1  VAL  21          2HG1      VAL  21  -2.947   0.105   3.552
  139   3HG1  VAL  21          3HG1      VAL  21  -3.908   0.973   2.304
  140   1HG2  VAL  21          1HG2      VAL  21  -2.707  -2.299   0.715
  141   2HG2  VAL  21          2HG2      VAL  21  -4.179  -1.311   1.067
  142   3HG2  VAL  21          3HG2      VAL  21  -3.226  -2.029   2.411
  143    H    CYS  22           H        CYS  22  -2.724   2.608  -1.039
  144    HA   CYS  22           HA       CYS  22  -0.018   3.558  -0.724
  145   1HB   CYS  22          2HB       CYS  22  -0.364   4.861  -2.651
  146   2HB   CYS  22          1HB       CYS  22  -0.933   3.204  -2.941
  147    H    MET  23           H        MET  23   0.659   5.531  -0.075
  148    HA   MET  23           HA       MET  23  -1.340   7.426   0.838
  149   1HB   MET  23          2HB       MET  23  -0.149   7.719   3.023
  150   2HB   MET  23          1HB       MET  23  -1.089   6.221   2.827
  151   1HG   MET  23          2HG       MET  23   1.009   4.951   2.284
  152   2HG   MET  23          1HG       MET  23   1.968   6.421   2.620
  153   1HE   MET  23          1HE       MET  23   1.487   7.831   4.829
  154   2HE   MET  23          2HE       MET  23   3.019   6.890   4.784
  155   3HE   MET  23          3HE       MET  23   2.039   6.939   6.291
  156    H    TYR  24           H        TYR  24  -0.910   9.071  -0.422
  157    HA   TYR  24           HA       TYR  24   1.837   9.988  -0.689
  158   1HB   TYR  24          2HB       TYR  24   0.133   9.641  -2.684
  159   2HB   TYR  24          1HB       TYR  24  -0.628  11.164  -2.101
  160    HD1  TYR  24           1HD      TYR  24   1.055  13.151  -1.766
  161    HD2  TYR  24           2HD      TYR  24   1.726   9.744  -4.220
  162    HE1  TYR  24           1HE      TYR  24   2.722  14.393  -3.009
  163    HE2  TYR  24           2HE      TYR  24   3.388  10.962  -5.483
  164    HH   TYR  24           HH       TYR  24   4.034  14.415  -4.826
  165    H    ILE  25           H        ILE  25   2.590  11.616   0.643
  166    HA   ILE  25           HA       ILE  25   0.533  13.313   1.882
  167    HB   ILE  25           HB       ILE  25   3.365  12.667   2.745
  168   1HG1  ILE  25          2HG1      ILE  25   2.044  10.646   3.028
  169   2HG1  ILE  25          1HG1      ILE  25   2.395  11.415   4.593
  170   1HG2  ILE  25          1HG2      ILE  25   2.583  13.832   4.850
  171   2HG2  ILE  25          2HG2      ILE  25   1.040  14.262   4.010
  172   3HG2  ILE  25          3HG2      ILE  25   2.615  14.920   3.407
  173   1HD1  ILE  25          1HD1      ILE  25   0.061  12.328   4.710
  174   2HD1  ILE  25          2HD1      ILE  25   0.071  10.537   4.513
  175   3HD1  ILE  25          3HD1      ILE  25  -0.312  11.584   3.105
  176    H    GLU  26           H        GLU  26   0.323  14.954   0.431
  177    HA   GLU  26           HA       GLU  26   2.422  15.872  -1.160
  178   1HB   GLU  26          2HB       GLU  26  -0.233  17.167  -0.424
  179   2HB   GLU  26          1HB       GLU  26   0.904  17.763  -1.682
  180   1HG   GLU  26          2HG       GLU  26   0.617  15.618  -2.964
  181   2HG   GLU  26          1HG       GLU  26  -0.622  15.082  -1.764
  182    H    ALA  27           H        ALA  27   1.411  16.872   2.064
  183    HA   ALA  27           HA       ALA  27   2.719  19.291   2.180
  184   1HB   ALA  27          1HB       ALA  27   2.423  17.181   4.411
  185   2HB   ALA  27          2HB       ALA  27   1.154  18.368   3.928
  186   3HB   ALA  27          3HB       ALA  27   2.708  18.945   4.628
  187    H    LEU  28           H        LEU  28   4.001  16.048   2.789
  188    HA   LEU  28           HA       LEU  28   6.619  17.109   3.403
  189   1HB   LEU  28          2HB       LEU  28   5.613  14.218   3.198
  190   2HB   LEU  28          1HB       LEU  28   7.188  14.750   3.869
  191    HG   LEU  28           HG       LEU  28   4.401  15.340   5.029
  192   1HD1  LEU  28          1HD1      LEU  28   6.727  13.570   6.019
  193   2HD1  LEU  28          2HD1      LEU  28   5.147  12.998   5.353
  194   3HD1  LEU  28          3HD1      LEU  28   5.205  13.891   6.915
  195   1HD2  LEU  28          1HD2      LEU  28   7.191  16.270   5.958
  196   2HD2  LEU  28          2HD2      LEU  28   5.736  16.227   7.020
  197   3HD2  LEU  28          3HD2      LEU  28   5.740  17.277   5.556
  198    H    ASP  29           H        ASP  29   4.893  15.659   0.761
  199    HA   ASP  29           HA       ASP  29   5.227  15.683  -1.325
  200   1HB   ASP  29          2HB       ASP  29   6.507  17.816  -0.784
  201   2HB   ASP  29          1HB       ASP  29   8.011  16.872  -1.029
  202    H    LYS  30           H        LYS  30   5.859  13.344   0.304
  203    HA   LYS  30           HA       LYS  30   6.932  11.923  -1.945
  204   1HB   LYS  30          2HB       LYS  30   8.624  10.821  -0.879
  205   2HB   LYS  30          1HB       LYS  30   8.697  12.430  -0.113
  206   1HG   LYS  30          2HG       LYS  30   7.588   9.834   1.072
  207   2HG   LYS  30          1HG       LYS  30   9.053  10.761   1.556
  208   1HD   LYS  30          2HD       LYS  30   7.339  12.690   2.059
  209   2HD   LYS  30          1HD       LYS  30   6.106  11.393   1.974
  210   1HE   LYS  30          2HE       LYS  30   8.547  11.499   3.906
  211   2HE   LYS  30          1HE       LYS  30   6.836  11.873   4.348
  212   1HZ   LYS  30          1HZ       LYS  30   6.271   9.556   3.785
  213   2HZ   LYS  30          2HZ       LYS  30   7.434   9.672   5.006
  214   3HZ   LYS  30          3HZ       LYS  30   7.881   9.224   3.453
  215    H    TYR  31           H        TYR  31   6.677   9.413  -1.290
  216    HA   TYR  31           HA       TYR  31   4.158   9.056   0.048
  217   1HB   TYR  31          2HB       TYR  31   2.817   8.231  -1.631
  218   2HB   TYR  31          1HB       TYR  31   3.577   9.705  -2.303
  219    HD1  TYR  31           1HD      TYR  31   3.028   6.225  -2.648
  220    HD2  TYR  31           2HD      TYR  31   5.520   9.412  -3.887
  221    HE1  TYR  31           1HE      TYR  31   3.596   4.965  -4.682
  222    HE2  TYR  31           2HE      TYR  31   6.137   8.155  -5.915
  223    HH   TYR  31           HH       TYR  31   5.337   6.459  -7.312
  224    H    ALA  32           H        ALA  32   3.427   6.802   0.206
  225    HA   ALA  32           HA       ALA  32   5.536   4.857  -0.257
  226   1HB   ALA  32          1HB       ALA  32   5.744   5.496   2.162
  227   2HB   ALA  32          2HB       ALA  32   5.158   3.808   1.976
  228   3HB   ALA  32          3HB       ALA  32   3.998   5.125   2.397
  229    H    CYS  33           H        CYS  33   4.799   2.754  -0.557
  230    HA   CYS  33           HA       CYS  33   1.881   2.368  -0.659
  231   1HB   CYS  33          2HB       CYS  33   4.054   1.428  -2.585
  232   2HB   CYS  33          1HB       CYS  33   2.573   0.454  -2.352
  233    H    ASN  34           H        ASN  34   1.308   1.073   0.940
  234    HA   ASN  34           HA       ASN  34   3.197  -0.923   1.947
  235   1HB   ASN  34          2HB       ASN  34   0.523   0.138   3.023
  236   2HB   ASN  34          1HB       ASN  34   1.515  -1.150   3.813
  237   1HD2  ASN  34          1HD2      ASN  34   0.780   1.436   4.995
  238   2HD2  ASN  34          2HD2      ASN  34   2.267   2.297   5.251
  239    H    CYS  35           H        CYS  35   2.039  -3.071   2.551
  240    HA   CYS  35           HA       CYS  35   0.091  -3.774   0.511
  241   1HB   CYS  35          2HB       CYS  35   1.427  -5.578  -0.412
  242   2HB   CYS  35          1HB       CYS  35   2.281  -4.027  -0.589
  243    H    VAL  36           H        VAL  36  -0.377  -6.217   0.657
  244    HA   VAL  36           HA       VAL  36  -1.527  -6.475   3.178
  245    HB   VAL  36           HB       VAL  36  -1.389  -8.649   1.100
  246   1HG1  VAL  36          1HG1      VAL  36  -2.611  -9.283   3.177
  247   2HG1  VAL  36          2HG1      VAL  36  -3.778  -8.990   1.858
  248   3HG1  VAL  36          3HG1      VAL  36  -3.550  -7.736   3.122
  249   1HG2  VAL  36          1HG2      VAL  36  -3.431  -7.528   0.090
  250   2HG2  VAL  36          2HG2      VAL  36  -1.911  -6.644  -0.215
  251   3HG2  VAL  36          3HG2      VAL  36  -3.061  -6.060   1.062
  252    H    VAL  37           H        VAL  37  -1.398  -8.168   4.665
  253    HA   VAL  37           HA       VAL  37   1.172  -8.968   5.380
  254    HB   VAL  37           HB       VAL  37  -0.462  -8.483   7.002
  255   1HG1  VAL  37          1HG1      VAL  37  -2.535  -9.217   5.800
  256   2HG1  VAL  37          2HG1      VAL  37  -2.409  -9.927   7.444
  257   3HG1  VAL  37          3HG1      VAL  37  -2.033 -10.936   6.002
  258   1HG2  VAL  37          1HG2      VAL  37   1.373 -10.155   7.537
  259   2HG2  VAL  37          2HG2      VAL  37   0.228 -11.491   7.145
  260   3HG2  VAL  37          3HG2      VAL  37  -0.125 -10.382   8.508
  261    H    GLY  38           H        GLY  38   2.396 -10.658   4.953
  262   1HA   GLY  38          2HA       GLY  38   3.038 -12.632   4.179
  263   2HA   GLY  38          1HA       GLY  38   1.325 -13.167   4.155
  264    H    TYR  39           H        TYR  39   2.493 -10.348   2.389
  265    HA   TYR  39           HA       TYR  39   2.717 -11.967  -0.044
  266   1HB   TYR  39          2HB       TYR  39   1.321  -9.249   0.254
  267   2HB   TYR  39          1HB       TYR  39   1.888  -9.910  -1.326
  268    HD1  TYR  39           1HD      TYR  39   0.747 -11.647  -2.404
  269    HD2  TYR  39           2HD      TYR  39  -0.384 -10.545   1.530
  270    HE1  TYR  39           1HE      TYR  39  -1.327 -12.928  -2.649
  271    HE2  TYR  39           2HE      TYR  39  -2.462 -11.816   1.303
  272    HH   TYR  39           HH       TYR  39  -3.152 -13.789  -1.519
  273    H    ILE  40           H        ILE  40   4.552 -11.663  -1.118
  274    HA   ILE  40           HA       ILE  40   6.507  -9.977   0.276
  275    HB   ILE  40           HB       ILE  40   8.040 -11.912   0.262
  276   1HG1  ILE  40          2HG1      ILE  40   5.508 -13.523  -0.431
  277   2HG1  ILE  40          1HG1      ILE  40   6.865 -13.194  -1.559
  278   1HG2  ILE  40          1HG2      ILE  40   7.091 -12.895   2.278
  279   2HG2  ILE  40          2HG2      ILE  40   5.434 -12.346   1.838
  280   3HG2  ILE  40          3HG2      ILE  40   6.709 -11.142   2.256
  281   1HD1  ILE  40          1HD1      ILE  40   8.440 -14.400  -0.012
  282   2HD1  ILE  40          2HD1      ILE  40   7.096 -15.447  -0.594
  283   3HD1  ILE  40          3HD1      ILE  40   7.061 -14.784   1.082
  284    H    GLY  41           H        GLY  41   8.725 -10.166  -0.817
  285   1HA   GLY  41          2HA       GLY  41   9.919  -9.925  -2.715
  286   2HA   GLY  41          1HA       GLY  41   8.425  -9.964  -3.715
  287    H    GLU  42           H        GLU  42  10.217  -8.113  -4.326
  288    HA   GLU  42           HA       GLU  42  10.497  -5.858  -2.905
  289   1HB   GLU  42          2HB       GLU  42  10.690  -6.612  -5.796
  290   2HB   GLU  42          1HB       GLU  42  10.637  -4.859  -5.478
  291   1HG   GLU  42          2HG       GLU  42  12.968  -5.685  -5.602
  292   2HG   GLU  42          1HG       GLU  42  12.573  -4.920  -4.029
  293    H    ARG  43           H        ARG  43   7.925  -6.337  -5.288
  294    HA   ARG  43           HA       ARG  43   6.554  -3.988  -4.151
  295   1HB   ARG  43          2HB       ARG  43   5.408  -3.813  -6.355
  296   2HB   ARG  43          1HB       ARG  43   7.159  -3.506  -6.371
  297   1HG   ARG  43          2HG       ARG  43   7.579  -5.839  -7.248
  298   2HG   ARG  43          1HG       ARG  43   5.801  -6.071  -7.341
  299   1HD   ARG  43          2HD       ARG  43   5.690  -4.085  -8.926
  300   2HD   ARG  43          1HD       ARG  43   7.489  -3.923  -8.821
  301    HE   ARG  43           HE       ARG  43   7.014  -6.631  -9.494
  302   1HH1  ARG  43          1HH1      ARG  43   6.245  -3.470 -10.995
  303   2HH1  ARG  43          2HH1      ARG  43   6.612  -4.047 -12.568
  304   1HH2  ARG  43          1HH2      ARG  43   7.342  -7.332 -11.691
  305   2HH2  ARG  43          2HH2      ARG  43   6.904  -6.301 -12.998
  306    H    CYS  44           H        CYS  44   6.613  -6.621  -3.020
  307    HA   CYS  44           HA       CYS  44   5.391  -8.124  -2.138
  308   1HB   CYS  44          2HB       CYS  44   3.108  -6.134  -2.245
  309   2HB   CYS  44          1HB       CYS  44   3.343  -7.468  -1.071
  310    H    GLN  45           H        GLN  45   5.385  -8.783  -4.844
  311    HA   GLN  45           HA       GLN  45   2.632  -9.178  -5.591
  312   1HB   GLN  45          2HB       GLN  45   3.667 -10.236  -7.653
  313   2HB   GLN  45          1HB       GLN  45   3.809  -8.475  -7.369
  314   1HG   GLN  45          2HG       GLN  45   6.185  -8.831  -6.501
  315   2HG   GLN  45          1HG       GLN  45   6.042 -10.560  -6.972
  316   1HE2  GLN  45          1HE2      GLN  45   4.649 -10.319  -9.463
  317   2HE2  GLN  45          2HE2      GLN  45   5.664  -9.440 -10.564
  318    H    TYR  46           H        TYR  46   5.174 -11.328  -4.290
  319    HA   TYR  46           HA       TYR  46   3.661 -13.607  -5.216
  320   1HB   TYR  46          2HB       TYR  46   6.076 -13.722  -3.375
  321   2HB   TYR  46          1HB       TYR  46   5.488 -14.970  -4.518
  322    HD1  TYR  46           1HD      TYR  46   5.239 -13.529  -7.067
  323    HD2  TYR  46           2HD      TYR  46   8.112 -13.121  -3.959
  324    HE1  TYR  46           1HE      TYR  46   6.914 -12.841  -8.703
  325    HE2  TYR  46           2HE      TYR  46   9.769 -12.367  -5.579
  326    HH   TYR  46           HH       TYR  46  10.200 -11.903  -7.697
  327    H    ARG  47           H        ARG  47   3.149 -15.426  -3.620
  328    HA   ARG  47           HA       ARG  47   1.971 -14.138  -1.257
  329   1HB   ARG  47          2HB       ARG  47   0.318 -15.927  -1.272
  330   2HB   ARG  47          1HB       ARG  47   0.281 -14.913  -2.736
  331   1HG   ARG  47          2HG       ARG  47   1.414 -16.639  -4.061
  332   2HG   ARG  47          1HG       ARG  47   1.659 -17.660  -2.609
  333   1HD   ARG  47          2HD       ARG  47  -0.807 -17.940  -2.347
  334   2HD   ARG  47          1HD       ARG  47  -1.100 -16.895  -3.783
  335    HE   ARG  47           HE       ARG  47   0.427 -19.533  -3.798
  336   1HH1  ARG  47          1HH1      ARG  47  -1.188 -16.946  -5.731
  337   2HH1  ARG  47          2HH1      ARG  47  -1.128 -17.870  -7.166
  338   1HH2  ARG  47          1HH2      ARG  47   0.294 -20.772  -5.730
  339   2HH2  ARG  47          2HH2      ARG  47  -0.277 -20.058  -7.181
  340    H    ASP  48           H        ASP  48   2.351 -14.801   0.759
  341    HA   ASP  48           HA       ASP  48   4.058 -17.139   1.152
  342   1HB   ASP  48          2HB       ASP  48   4.742 -14.781   1.933
  343   2HB   ASP  48          1HB       ASP  48   3.348 -14.837   3.061
  344    H    LEU  49           H        LEU  49   2.752 -18.907   1.353
  345    HA   LEU  49           HA       LEU  49   0.084 -18.536   2.292
  346   1HB   LEU  49          2HB       LEU  49   0.956 -19.840   0.259
  347   2HB   LEU  49          1HB       LEU  49   1.446 -21.111   1.401
  348    HG   LEU  49           HG       LEU  49  -0.984 -21.342   2.093
  349   1HD1  LEU  49          1HD1      LEU  49  -1.866 -19.066   1.583
  350   2HD1  LEU  49          2HD1      LEU  49  -2.747 -20.308   0.621
  351   3HD1  LEU  49          3HD1      LEU  49  -1.486 -19.289  -0.164
  352   1HD2  LEU  49          1HD2      LEU  49  -0.001 -22.793   0.322
  353   2HD2  LEU  49          2HD2      LEU  49  -0.418 -21.566  -0.933
  354   3HD2  LEU  49          3HD2      LEU  49  -1.726 -22.413  -0.036
  355    H    LYS  50           H        LYS  50   2.741 -18.797   4.103
  356    HA   LYS  50           HA       LYS  50   2.203 -21.111   5.598
  357   1HB   LYS  50          2HB       LYS  50   4.003 -18.719   6.224
  358   2HB   LYS  50          1HB       LYS  50   4.056 -20.304   7.060
  359   1HG   LYS  50          2HG       LYS  50   4.669 -19.791   4.094
  360   2HG   LYS  50          1HG       LYS  50   5.869 -20.031   5.385
  361   1HD   LYS  50          2HD       LYS  50   3.777 -22.116   4.514
  362   2HD   LYS  50          1HD       LYS  50   5.466 -22.029   3.933
  363   1HE   LYS  50          2HE       LYS  50   6.303 -22.377   6.296
  364   2HE   LYS  50          1HE       LYS  50   4.587 -22.571   6.851
  365   1HZ   LYS  50          1HZ       LYS  50   5.980 -24.199   4.789
  366   2HZ   LYS  50          2HZ       LYS  50   4.364 -24.402   5.288
  367   3HZ   LYS  50          3HZ       LYS  50   5.630 -24.702   6.363
  368    H    TRP  51           H        TRP  51   1.321 -17.741   6.220
  369    HA   TRP  51           HA       TRP  51   0.831 -18.307   8.959
  370   1HB   TRP  51          2HB       TRP  51   0.200 -16.055   9.232
  371   2HB   TRP  51          1HB       TRP  51   1.615 -16.114   8.140
  372    HD1  TRP  51           HD       TRP  51   1.251 -15.015   5.691
  373    HE1  TRP  51           1HE      TRP  51  -0.621 -13.429   4.818
  374    HE3  TRP  51           3HE      TRP  51  -2.259 -15.802   9.282
  375    HZ2  TRP  51           2HZ      TRP  51  -3.244 -12.806   5.453
  376    HZ3  TRP  51           3HZ      TRP  51  -4.424 -14.700   9.078
  377    HH2  TRP  51           HH       TRP  51  -4.923 -13.228   7.199
  378    H    TRP  52           H        TRP  52  -1.173 -18.218   6.139
  379    HA   TRP  52           HA       TRP  52  -3.683 -18.263   7.327
  380   1HB   TRP  52          2HB       TRP  52  -2.765 -19.623   4.731
  381   2HB   TRP  52          1HB       TRP  52  -4.457 -19.248   5.178
  382    HD1  TRP  52           HD       TRP  52  -1.368 -17.624   3.619
  383    HE1  TRP  52           1HE      TRP  52  -2.053 -15.319   2.733
  384    HE3  TRP  52           3HE      TRP  52  -5.887 -17.236   5.896
  385    HZ2  TRP  52           2HZ      TRP  52  -4.307 -13.620   2.889
  386    HZ3  TRP  52           3HZ      TRP  52  -7.236 -15.229   5.521
  387    HH2  TRP  52           HH       TRP  52  -6.468 -13.454   4.045
  388    H    GLU  53           H        GLU  53  -1.502 -20.920   6.468
  389    HA   GLU  53           HA       GLU  53  -3.386 -22.883   7.465
  390   1HB   GLU  53          2HB       GLU  53  -2.137 -23.017   5.270
  391   2HB   GLU  53          1HB       GLU  53  -0.644 -23.324   6.198
  392   1HG   GLU  53          2HG       GLU  53  -1.639 -25.428   7.128
  393   2HG   GLU  53          1HG       GLU  53  -3.233 -25.022   6.397
  394    H    LEU  54           H        LEU  54  -2.974 -21.571   9.586
  395    HA   LEU  54           HA       LEU  54  -1.533 -23.338  11.273
  396   1HB   LEU  54          2HB       LEU  54   0.335 -21.857  10.566
  397   2HB   LEU  54          1HB       LEU  54  -0.646 -20.423  10.945
  398    HG   LEU  54           HG       LEU  54  -0.611 -21.036  13.374
  399   1HD1  LEU  54          1HD1      LEU  54   1.250 -23.343  12.491
  400   2HD1  LEU  54          2HD1      LEU  54  -0.395 -23.521  13.212
  401   3HD1  LEU  54          3HD1      LEU  54   0.939 -22.817  14.193
  402   1HD2  LEU  54          1HD2      LEU  54   1.131 -19.523  12.429
  403   2HD2  LEU  54          2HD2      LEU  54   2.174 -20.943  12.042
  404   3HD2  LEU  54          3HD2      LEU  54   1.808 -20.537  13.761
  Start of MODEL   26
    1   1H    VAL   1          1HT       VAL   1   6.615  19.577   6.689
    2   2H    VAL   1          2HT       VAL   1   6.890  21.106   7.302
    3   3H    VAL   1          3HT       VAL   1   5.542  20.838   6.340
    4    HA   VAL   1           HA       VAL   1   6.126  19.573   8.941
    5    HB   VAL   1           HB       VAL   1   4.308  20.905   9.942
    6   1HG1  VAL   1          1HG1      VAL   1   5.627  22.873  10.304
    7   2HG1  VAL   1          2HG1      VAL   1   6.535  22.667   8.782
    8   3HG1  VAL   1          3HG1      VAL   1   6.772  21.498  10.149
    9   1HG2  VAL   1          1HG2      VAL   1   3.518  22.936   8.809
   10   2HG2  VAL   1          2HG2      VAL   1   3.070  21.514   7.812
   11   3HG2  VAL   1          3HG2      VAL   1   4.461  22.564   7.334
   12    H    VAL   2           H        VAL   2   4.567  18.287   9.984
   13    HA   VAL   2           HA       VAL   2   2.716  16.986   8.216
   14    HB   VAL   2           HB       VAL   2   3.509  16.492  11.098
   15   1HG1  VAL   2          1HG1      VAL   2   1.768  14.859   9.127
   16   2HG1  VAL   2          2HG1      VAL   2   1.228  15.577  10.699
   17   3HG1  VAL   2          3HG1      VAL   2   2.423  14.243  10.685
   18   1HG2  VAL   2          1HG2      VAL   2   5.381  16.105   9.446
   19   2HG2  VAL   2          2HG2      VAL   2   4.280  15.048   8.480
   20   3HG2  VAL   2          3HG2      VAL   2   4.765  14.575  10.146
   21    H    SER   3           H        SER   3   0.600  17.630   8.099
   22    HA   SER   3           HA       SER   3  -0.626  18.171  10.731
   23   1HB   SER   3          2HB       SER   3  -1.584  19.455   8.108
   24   2HB   SER   3          1HB       SER   3  -2.334  19.632   9.731
   25    HG   SER   3           HG       SER   3  -0.347  20.616  10.381
   26    H    HIS   4           H        HIS   4  -1.404  17.288   7.304
   27    HA   HIS   4           HA       HIS   4  -3.174  15.219   8.425
   28   1HB   HIS   4          2HB       HIS   4  -4.377  17.252   7.497
   29   2HB   HIS   4          1HB       HIS   4  -3.596  16.942   5.922
   30    HD1  HIS   4           1HD      HIS   4  -5.449  16.044   4.494
   31    HD2  HIS   4           2HD      HIS   4  -5.620  14.391   8.349
   32    HE1  HIS   4           1HE      HIS   4  -7.211  14.247   4.445
   33    HE2  HIS   4           2HE      HIS   4  -7.296  13.286   6.775
   34    H    PHE   5           H        PHE   5  -3.281  13.205   7.289
   35    HA   PHE   5           HA       PHE   5  -1.272  12.930   5.171
   36   1HB   PHE   5          2HB       PHE   5  -2.439  10.954   7.192
   37   2HB   PHE   5          1HB       PHE   5  -1.662  10.390   5.669
   38    HD1  PHE   5           1HD      PHE   5  -1.066  11.856   8.950
   39    HD2  PHE   5           2HD      PHE   5   0.633  10.926   5.175
   40    HE1  PHE   5           1HE      PHE   5   1.183  12.152   9.889
   41    HE2  PHE   5           2HE      PHE   5   2.872  11.230   6.089
   42    HZ   PHE   5           HZ       PHE   5   3.158  11.863   8.457
   43    H    ASN   6           H        ASN   6  -1.778  11.842   3.289
   44    HA   ASN   6           HA       ASN   6  -4.590  12.236   2.554
   45   1HB   ASN   6          2HB       ASN   6  -1.983  12.170   0.918
   46   2HB   ASN   6          1HB       ASN   6  -3.622  12.318   0.191
   47   1HD2  ASN   6          1HD2      ASN   6  -4.661  14.333   0.206
   48   2HD2  ASN   6          2HD2      ASN   6  -4.043  15.733   1.000
   49    H    ASP   7           H        ASP   7  -5.324  10.772   0.749
   50    HA   ASP   7           HA       ASP   7  -4.350   8.027   1.089
   51   1HB   ASP   7          2HB       ASP   7  -7.269   9.006   0.870
   52   2HB   ASP   7          1HB       ASP   7  -6.745   7.294   1.067
   53    H    CYS   8           H        CYS   8  -5.340   6.662  -0.810
   54    HA   CYS   8           HA       CYS   8  -5.707   8.359  -3.188
   55   1HB   CYS   8          2HB       CYS   8  -4.982   6.461  -4.545
   56   2HB   CYS   8          1HB       CYS   8  -3.727   7.156  -3.485
   57    HA   PRO   9           HA       PRO   9  -9.564   6.127  -2.425
   58   1HB   PRO   9          2HB       PRO   9 -11.408   8.166  -2.766
   59   2HB   PRO   9          1HB       PRO   9 -10.514   7.866  -1.232
   60   1HG   PRO   9          2HG       PRO   9  -9.810   9.923  -3.401
   61   2HG   PRO   9          1HG       PRO   9  -9.907  10.154  -1.610
   62   1HD   PRO   9          2HD       PRO   9  -7.494   9.629  -2.903
   63   2HD   PRO   9          1HD       PRO   9  -7.867   8.984  -1.243
   64    H    LEU  10           H        LEU  10  -9.514   8.716  -4.860
   65    HA   LEU  10           HA       LEU  10 -10.974   7.180  -6.729
   66   1HB   LEU  10          2HB       LEU  10 -10.745   9.156  -8.211
   67   2HB   LEU  10          1HB       LEU  10 -11.422   9.457  -6.596
   68    HG   LEU  10           HG       LEU  10  -8.796  10.057  -6.058
   69   1HD1  LEU  10          1HD1      LEU  10  -8.084   9.767  -8.481
   70   2HD1  LEU  10          2HD1      LEU  10  -7.901  11.457  -7.881
   71   3HD1  LEU  10          3HD1      LEU  10  -9.288  11.040  -8.940
   72   1HD2  LEU  10          1HD2      LEU  10 -10.962  11.922  -7.209
   73   2HD2  LEU  10          2HD2      LEU  10  -9.516  12.438  -6.274
   74   3HD2  LEU  10          3HD2      LEU  10 -10.782  11.428  -5.486
   75    H    SER  11           H        SER  11  -7.515   7.969  -6.533
   76    HA   SER  11           HA       SER  11  -7.070   6.761  -9.104
   77   1HB   SER  11          2HB       SER  11  -5.760   8.746  -8.279
   78   2HB   SER  11          1HB       SER  11  -5.021   7.687  -7.040
   79    HG   SER  11           HG       SER  11  -3.648   7.397  -8.577
   80    H    HIS  12           H        HIS  12  -6.164   4.838  -9.575
   81    HA   HIS  12           HA       HIS  12  -5.358   3.076  -7.357
   82   1HB   HIS  12          2HB       HIS  12  -7.146   2.134  -8.722
   83   2HB   HIS  12          1HB       HIS  12  -6.278   2.518 -10.226
   84    HD1  HIS  12           1HD      HIS  12  -4.397   0.895 -10.950
   85    HD2  HIS  12           2HD      HIS  12  -6.249  -0.221  -7.348
   86    HE1  HIS  12           1HE      HIS  12  -3.715  -1.461 -10.493
   87    HE2  HIS  12           2HE      HIS  12  -4.843  -2.142  -8.361
   88    H    ASP  13           H        ASP  13  -3.202   2.560  -7.205
   89    HA   ASP  13           HA       ASP  13  -1.455   3.743  -9.191
   90   1HB   ASP  13          2HB       ASP  13  -1.128   4.122  -6.693
   91   2HB   ASP  13          1HB       ASP  13  -0.610   2.408  -6.578
   92    H    GLY  14           H        GLY  14   0.221   2.630 -10.112
   93   1HA   GLY  14          2HA       GLY  14  -0.707   0.040 -11.087
   94   2HA   GLY  14          1HA       GLY  14   0.386   1.208 -11.888
   95    H    TYR  15           H        TYR  15   1.914   1.239  -9.160
   96    HA   TYR  15           HA       TYR  15   3.744  -0.799  -9.957
   97   1HB   TYR  15          2HB       TYR  15   4.505   1.422  -9.124
   98   2HB   TYR  15          1HB       TYR  15   3.779   1.079  -7.524
   99    HD1  TYR  15           1HD      TYR  15   4.986  -0.159  -5.955
  100    HD2  TYR  15           2HD      TYR  15   6.267  -0.166 -10.004
  101    HE1  TYR  15           1HE      TYR  15   6.974  -1.422  -5.314
  102    HE2  TYR  15           2HE      TYR  15   8.273  -1.423  -9.364
  103    HH   TYR  15           HH       TYR  15   9.070  -2.049  -5.997
  104    H    CYS  16           H        CYS  16   1.684  -0.287  -7.061
  105    HA   CYS  16           HA       CYS  16   2.547  -2.830  -5.992
  106   1HB   CYS  16          2HB       CYS  16   0.429  -0.845  -4.991
  107   2HB   CYS  16          1HB       CYS  16   1.043  -2.266  -4.092
  108    H    LEU  17           H        LEU  17   1.366  -4.732  -5.989
  109    HA   LEU  17           HA       LEU  17  -1.016  -4.713  -7.641
  110   1HB   LEU  17          2HB       LEU  17   0.614  -6.978  -6.395
  111   2HB   LEU  17          1HB       LEU  17  -0.859  -7.218  -7.377
  112    HG   LEU  17           HG       LEU  17   0.882  -7.705  -8.782
  113   1HD1  LEU  17          1HD1      LEU  17  -0.879  -6.252  -9.838
  114   2HD1  LEU  17          2HD1      LEU  17   0.725  -6.120 -10.645
  115   3HD1  LEU  17          3HD1      LEU  17   0.171  -4.807  -9.554
  116   1HD2  LEU  17          1HD2      LEU  17   2.762  -6.657  -7.494
  117   2HD2  LEU  17          2HD2      LEU  17   2.340  -5.057  -8.206
  118   3HD2  LEU  17          3HD2      LEU  17   2.863  -6.400  -9.283
  119    H    HIS  18           H        HIS  18  -2.801  -6.189  -6.972
  120    HA   HIS  18           HA       HIS  18  -4.401  -6.797  -5.699
  121   1HB   HIS  18          2HB       HIS  18  -2.265  -7.837  -4.617
  122   2HB   HIS  18          1HB       HIS  18  -2.625  -6.798  -3.222
  123    HD1  HIS  18           1HD      HIS  18  -2.642  -9.918  -3.532
  124    HD2  HIS  18           2HD      HIS  18  -6.073  -7.533  -3.353
  125    HE1  HIS  18           1HE      HIS  18  -4.554 -11.420  -2.753
  126    HE2  HIS  18           2HE      HIS  18  -6.575  -9.932  -2.583
  127    H    ASP  19           H        ASP  19  -4.102  -3.989  -6.009
  128    HA   ASP  19           HA       ASP  19  -4.716  -2.081  -5.393
  129   1HB   ASP  19          2HB       ASP  19  -6.842  -3.670  -5.498
  130   2HB   ASP  19          1HB       ASP  19  -7.057  -3.158  -3.792
  131    H    GLY  20           H        GLY  20  -2.868  -1.572  -4.290
  132   1HA   GLY  20          2HA       GLY  20  -2.736  -1.983  -1.454
  133   2HA   GLY  20          1HA       GLY  20  -1.521  -1.232  -2.552
  134    H    VAL  21           H        VAL  21  -1.900  -0.203   0.017
  135    HA   VAL  21           HA       VAL  21  -3.692   2.033  -0.296
  136    HB   VAL  21           HB       VAL  21  -2.063   1.117   2.073
  137   1HG1  VAL  21          1HG1      VAL  21  -4.322   3.225   1.760
  138   2HG1  VAL  21          2HG1      VAL  21  -2.598   3.588   2.148
  139   3HG1  VAL  21          3HG1      VAL  21  -3.604   2.673   3.314
  140   1HG2  VAL  21          1HG2      VAL  21  -3.790  -0.565   1.463
  141   2HG2  VAL  21          2HG2      VAL  21  -5.027   0.736   1.278
  142   3HG2  VAL  21          3HG2      VAL  21  -4.338   0.366   2.896
  143    H    CYS  22           H        CYS  22  -2.757   3.405  -1.732
  144    HA   CYS  22           HA       CYS  22  -0.029   4.221  -1.446
  145   1HB   CYS  22          2HB       CYS  22  -0.887   5.691  -3.513
  146   2HB   CYS  22          1HB       CYS  22  -0.448   3.975  -3.629
  147    H    MET  23           H        MET  23   0.759   6.171  -0.794
  148    HA   MET  23           HA       MET  23  -1.030   8.375  -1.049
  149   1HB   MET  23          2HB       MET  23  -0.795   9.366   1.125
  150   2HB   MET  23          1HB       MET  23  -1.574   7.774   1.251
  151   1HG   MET  23          2HG       MET  23   0.544   6.757   2.058
  152   2HG   MET  23          1HG       MET  23   1.385   8.324   1.885
  153   1HE   MET  23          1HE       MET  23   1.585   6.728   4.472
  154   2HE   MET  23          2HE       MET  23   1.470   8.100   5.625
  155   3HE   MET  23          3HE       MET  23   2.335   8.311   4.070
  156    H    TYR  24           H        TYR  24   0.004   9.911  -2.115
  157    HA   TYR  24           HA       TYR  24   2.786  10.446  -1.451
  158   1HB   TYR  24          2HB       TYR  24   1.660  10.344  -3.886
  159   2HB   TYR  24          1HB       TYR  24   1.139  12.023  -3.502
  160    HD1  TYR  24           1HD      TYR  24   3.543  10.042  -4.943
  161    HD2  TYR  24           2HD      TYR  24   3.146  13.539  -2.547
  162    HE1  TYR  24           1HE      TYR  24   5.711  10.772  -5.685
  163    HE2  TYR  24           2HE      TYR  24   5.343  14.283  -3.258
  164    HH   TYR  24           HH       TYR  24   7.206  12.453  -5.694
  165    H    ILE  25           H        ILE  25   3.278  11.975   0.087
  166    HA   ILE  25           HA       ILE  25   1.240  13.982   0.633
  167    HB   ILE  25           HB       ILE  25   2.581  14.294   2.756
  168   1HG1  ILE  25          2HG1      ILE  25   4.343  12.526   2.155
  169   2HG1  ILE  25          1HG1      ILE  25   3.618  12.548   3.780
  170   1HG2  ILE  25          1HG2      ILE  25   0.965  12.787   3.881
  171   2HG2  ILE  25          2HG2      ILE  25   0.559  12.030   2.287
  172   3HG2  ILE  25          3HG2      ILE  25   0.206  13.776   2.586
  173   1HD1  ILE  25          1HD1      ILE  25   2.173  10.610   3.280
  174   2HD1  ILE  25          2HD1      ILE  25   3.901  10.227   2.974
  175   3HD1  ILE  25          3HD1      ILE  25   2.795  10.542   1.594
  176    H    GLU  26           H        GLU  26   1.647  15.688  -0.485
  177    HA   GLU  26           HA       GLU  26   4.036  16.228  -1.717
  178   1HB   GLU  26          2HB       GLU  26   1.846  16.829  -2.532
  179   2HB   GLU  26          1HB       GLU  26   1.565  17.946  -1.184
  180   1HG   GLU  26          2HG       GLU  26   3.899  18.324  -3.182
  181   2HG   GLU  26          1HG       GLU  26   2.231  18.868  -3.546
  182    H    ALA  27           H        ALA  27   2.732  17.764   1.249
  183    HA   ALA  27           HA       ALA  27   4.666  19.757   1.339
  184   1HB   ALA  27          1HB       ALA  27   2.966  18.499   3.579
  185   2HB   ALA  27          2HB       ALA  27   2.478  19.874   2.523
  186   3HB   ALA  27          3HB       ALA  27   3.826  20.081   3.690
  187    H    LEU  28           H        LEU  28   4.764  16.439   2.481
  188    HA   LEU  28           HA       LEU  28   7.183  16.946   4.003
  189   1HB   LEU  28          2HB       LEU  28   5.961  14.227   3.323
  190   2HB   LEU  28          1HB       LEU  28   7.135  14.634   4.605
  191    HG   LEU  28           HG       LEU  28   4.150  15.245   4.471
  192   1HD1  LEU  28          1HD1      LEU  28   5.905  13.834   6.582
  193   2HD1  LEU  28          2HD1      LEU  28   4.997  12.975   5.295
  194   3HD1  LEU  28          3HD1      LEU  28   4.104  13.907   6.556
  195   1HD2  LEU  28          1HD2      LEU  28   4.333  16.403   6.662
  196   2HD2  LEU  28          2HD2      LEU  28   5.168  17.339   5.378
  197   3HD2  LEU  28          3HD2      LEU  28   6.131  16.358   6.556
  198    H    ASP  29           H        ASP  29   6.187  16.028   0.859
  199    HA   ASP  29           HA       ASP  29   7.126  15.638  -1.002
  200   1HB   ASP  29          2HB       ASP  29   8.839  17.302  -0.173
  201   2HB   ASP  29          1HB       ASP  29   9.882  15.912   0.280
  202    H    LYS  30           H        LYS  30   6.482  13.547   0.972
  203    HA   LYS  30           HA       LYS  30   8.275  11.401   0.061
  204   1HB   LYS  30          2HB       LYS  30   6.727  11.533   2.694
  205   2HB   LYS  30          1HB       LYS  30   7.879  10.264   2.186
  206   1HG   LYS  30          2HG       LYS  30   8.489  13.170   2.933
  207   2HG   LYS  30          1HG       LYS  30   8.923  11.688   3.827
  208   1HD   LYS  30          2HD       LYS  30  10.401  10.996   1.892
  209   2HD   LYS  30          1HD       LYS  30   9.968  12.506   1.049
  210   1HE   LYS  30          2HE       LYS  30  10.889  13.847   3.036
  211   2HE   LYS  30          1HE       LYS  30  11.543  12.297   3.696
  212   1HZ   LYS  30          1HZ       LYS  30  12.186  13.561   1.073
  213   2HZ   LYS  30          2HZ       LYS  30  12.702  12.044   1.501
  214   3HZ   LYS  30          3HZ       LYS  30  13.213  13.407   2.396
  215    H    TYR  31           H        TYR  31   7.423   9.303  -0.165
  216    HA   TYR  31           HA       TYR  31   4.563   9.106   0.063
  217   1HB   TYR  31          2HB       TYR  31   3.917   8.427  -2.046
  218   2HB   TYR  31          1HB       TYR  31   4.836   9.949  -2.215
  219    HD1  TYR  31           1HD      TYR  31   7.455   9.542  -2.655
  220    HD2  TYR  31           2HD      TYR  31   4.259   6.944  -3.634
  221    HE1  TYR  31           1HE      TYR  31   8.747   8.685  -4.570
  222    HE2  TYR  31           2HE      TYR  31   5.469   6.131  -5.571
  223    HH   TYR  31           HH       TYR  31   7.427   6.219  -6.750
  224    H    ALA  32           H        ALA  32   3.596   6.982  -0.098
  225    HA   ALA  32           HA       ALA  32   5.448   4.787   0.157
  226   1HB   ALA  32          1HB       ALA  32   5.371   5.719   2.488
  227   2HB   ALA  32          2HB       ALA  32   4.594   4.100   2.409
  228   3HB   ALA  32          3HB       ALA  32   3.581   5.594   2.468
  229    H    CYS  33           H        CYS  33   4.484   2.732   0.183
  230    HA   CYS  33           HA       CYS  33   1.649   2.617  -0.543
  231   1HB   CYS  33          2HB       CYS  33   3.137   2.265  -2.534
  232   2HB   CYS  33          1HB       CYS  33   3.949   0.936  -1.674
  233    H    ASN  34           H        ASN  34   0.655   1.700   1.185
  234    HA   ASN  34           HA       ASN  34   2.213  -0.147   2.827
  235   1HB   ASN  34          2HB       ASN  34   1.156   1.948   3.824
  236   2HB   ASN  34          1HB       ASN  34  -0.449   1.232   3.475
  237   1HD2  ASN  34          1HD2      ASN  34   2.734   0.319   5.049
  238   2HD2  ASN  34          2HD2      ASN  34   1.992  -0.569   6.346
  239    H    CYS  35           H        CYS  35   1.471  -2.219   3.345
  240    HA   CYS  35           HA       CYS  35  -0.472  -3.229   1.386
  241   1HB   CYS  35          2HB       CYS  35   2.082  -3.512   1.026
  242   2HB   CYS  35          1HB       CYS  35   2.026  -4.692   2.361
  243    H    VAL  36           H        VAL  36  -1.541  -5.165   1.877
  244    HA   VAL  36           HA       VAL  36  -2.403  -5.387   4.558
  245    HB   VAL  36           HB       VAL  36  -2.994  -6.781   1.964
  246   1HG1  VAL  36          1HG1      VAL  36  -4.507  -7.214   4.622
  247   2HG1  VAL  36          2HG1      VAL  36  -3.654  -8.472   3.620
  248   3HG1  VAL  36          3HG1      VAL  36  -5.100  -7.637   2.983
  249   1HG2  VAL  36          1HG2      VAL  36  -4.574  -4.811   3.758
  250   2HG2  VAL  36          2HG2      VAL  36  -5.098  -5.440   2.161
  251   3HG2  VAL  36          3HG2      VAL  36  -3.685  -4.337   2.266
  252    H    VAL  37           H        VAL  37  -2.739  -7.635   5.460
  253    HA   VAL  37           HA       VAL  37  -0.205  -8.554   6.269
  254    HB   VAL  37           HB       VAL  37  -2.962  -9.682   6.835
  255   1HG1  VAL  37          1HG1      VAL  37  -1.128 -11.277   7.471
  256   2HG1  VAL  37          2HG1      VAL  37  -1.839 -10.517   8.925
  257   3HG1  VAL  37          3HG1      VAL  37  -0.253  -9.937   8.319
  258   1HG2  VAL  37          1HG2      VAL  37  -2.902  -7.277   7.477
  259   2HG2  VAL  37          2HG2      VAL  37  -1.291  -7.512   8.261
  260   3HG2  VAL  37          3HG2      VAL  37  -2.758  -8.295   8.941
  261    H    GLY  38           H        GLY  38   0.975 -10.195   5.575
  262   1HA   GLY  38          2HA       GLY  38   1.405 -12.286   4.909
  263   2HA   GLY  38          1HA       GLY  38  -0.299 -12.484   4.386
  264    H    TYR  39           H        TYR  39   1.399  -9.739   3.160
  265    HA   TYR  39           HA       TYR  39   1.897 -11.137   0.621
  266   1HB   TYR  39          2HB       TYR  39   0.981  -8.240   1.155
  267   2HB   TYR  39          1HB       TYR  39   1.470  -8.883  -0.459
  268    HD1  TYR  39           1HD      TYR  39   0.289 -10.979  -1.285
  269    HD2  TYR  39           2HD      TYR  39  -1.237  -8.524   1.829
  270    HE1  TYR  39           1HE      TYR  39  -1.942 -11.907  -1.652
  271    HE2  TYR  39           2HE      TYR  39  -3.469  -9.441   1.467
  272    HH   TYR  39           HH       TYR  39  -4.755 -10.602   0.030
  273    H    ILE  40           H        ILE  40   3.899 -11.000  -0.196
  274    HA   ILE  40           HA       ILE  40   5.789  -9.161   1.082
  275    HB   ILE  40           HB       ILE  40   7.476 -11.018   0.924
  276   1HG1  ILE  40          2HG1      ILE  40   4.954 -12.783   0.837
  277   2HG1  ILE  40          1HG1      ILE  40   6.006 -12.447  -0.579
  278   1HG2  ILE  40          1HG2      ILE  40   6.501 -10.148   3.047
  279   2HG2  ILE  40          2HG2      ILE  40   6.848 -11.909   3.128
  280   3HG2  ILE  40          3HG2      ILE  40   5.149 -11.336   2.917
  281   1HD1  ILE  40          1HD1      ILE  40   7.971 -13.447   0.680
  282   2HD1  ILE  40          2HD1      ILE  40   6.632 -14.621   0.410
  283   3HD1  ILE  40          3HD1      ILE  40   6.856 -13.871   2.029
  284    H    GLY  41           H        GLY  41   7.771  -8.896  -0.156
  285   1HA   GLY  41          2HA       GLY  41   8.885  -8.945  -2.174
  286   2HA   GLY  41          1HA       GLY  41   7.335  -9.143  -3.055
  287    H    GLU  42           H        GLU  42   8.935  -7.305  -4.007
  288    HA   GLU  42           HA       GLU  42   9.186  -4.830  -2.806
  289   1HB   GLU  42          2HB       GLU  42   9.049  -5.694  -5.754
  290   2HB   GLU  42          1HB       GLU  42   9.585  -4.078  -5.237
  291   1HG   GLU  42          2HG       GLU  42  10.991  -6.721  -4.502
  292   2HG   GLU  42          1HG       GLU  42  11.449  -5.609  -5.833
  293    H    ARG  43           H        ARG  43   6.808  -6.113  -5.031
  294    HA   ARG  43           HA       ARG  43   5.168  -3.673  -4.829
  295   1HB   ARG  43          2HB       ARG  43   4.338  -4.440  -7.085
  296   2HB   ARG  43          1HB       ARG  43   6.057  -3.984  -7.014
  297   1HG   ARG  43          2HG       ARG  43   6.720  -6.437  -6.900
  298   2HG   ARG  43          1HG       ARG  43   4.992  -6.864  -7.003
  299   1HD   ARG  43          2HD       ARG  43   5.979  -7.118  -9.186
  300   2HD   ARG  43          1HD       ARG  43   4.901  -5.679  -9.268
  301    HE   ARG  43           HE       ARG  43   7.929  -5.685  -9.050
  302   1HH1  ARG  43          1HH1      ARG  43   5.059  -3.689  -9.786
  303   2HH1  ARG  43          2HH1      ARG  43   5.762  -3.072 -11.259
  304   1HH2  ARG  43          1HH2      ARG  43   8.893  -4.615 -10.838
  305   2HH2  ARG  43          2HH2      ARG  43   8.102  -3.284 -11.578
  306    H    CYS  44           H        CYS  44   5.223  -6.126  -3.011
  307    HA   CYS  44           HA       CYS  44   3.986  -7.653  -2.152
  308   1HB   CYS  44          2HB       CYS  44   1.809  -5.663  -2.795
  309   2HB   CYS  44          1HB       CYS  44   1.414  -7.240  -2.053
  310    H    GLN  45           H        GLN  45   4.933  -8.872  -3.864
  311    HA   GLN  45           HA       GLN  45   3.169  -9.603  -6.025
  312   1HB   GLN  45          2HB       GLN  45   5.611  -8.850  -6.247
  313   2HB   GLN  45          1HB       GLN  45   6.080 -10.333  -5.403
  314   1HG   GLN  45          2HG       GLN  45   6.493 -10.713  -7.663
  315   2HG   GLN  45          1HG       GLN  45   5.011 -11.680  -7.344
  316   1HE2  GLN  45          1HE2      GLN  45   2.873 -10.205  -7.867
  317   2HE2  GLN  45          2HE2      GLN  45   2.994  -9.353  -9.389
  318    H    TYR  46           H        TYR  46   4.724 -11.178  -3.186
  319    HA   TYR  46           HA       TYR  46   3.485 -13.691  -4.094
  320   1HB   TYR  46          2HB       TYR  46   5.773 -13.697  -2.118
  321   2HB   TYR  46          1HB       TYR  46   5.220 -14.969  -3.249
  322    HD1  TYR  46           1HD      TYR  46   5.479 -14.417  -5.779
  323    HD2  TYR  46           2HD      TYR  46   7.508 -12.339  -2.673
  324    HE1  TYR  46           1HE      TYR  46   7.145 -13.663  -7.384
  325    HE2  TYR  46           2HE      TYR  46   9.178 -11.567  -4.273
  326    HH   TYR  46           HH       TYR  46   9.008 -12.477  -7.713
  327    H    ARG  47           H        ARG  47   2.968 -15.216  -2.358
  328    HA   ARG  47           HA       ARG  47   1.685 -13.830  -0.122
  329   1HB   ARG  47          2HB       ARG  47   0.383 -16.039   0.009
  330   2HB   ARG  47          1HB       ARG  47   0.032 -14.949  -1.359
  331   1HG   ARG  47          2HG       ARG  47   1.366 -16.262  -2.914
  332   2HG   ARG  47          1HG       ARG  47   1.952 -17.330  -1.594
  333   1HD   ARG  47          2HD       ARG  47  -0.364 -18.185  -1.250
  334   2HD   ARG  47          1HD       ARG  47  -0.980 -17.081  -2.552
  335    HE   ARG  47           HE       ARG  47   1.274 -18.620  -3.551
  336   1HH1  ARG  47          1HH1      ARG  47  -1.940 -19.476  -2.192
  337   2HH1  ARG  47          2HH1      ARG  47  -2.040 -20.870  -3.246
  338   1HH2  ARG  47          1HH2      ARG  47   0.801 -20.331  -5.125
  339   2HH2  ARG  47          2HH2      ARG  47  -0.525 -21.383  -4.746
  340    H    ASP  48           H        ASP  48   2.175 -14.350   1.948
  341    HA   ASP  48           HA       ASP  48   4.567 -15.924   2.320
  342   1HB   ASP  48          2HB       ASP  48   4.111 -13.565   3.247
  343   2HB   ASP  48          1HB       ASP  48   2.943 -14.326   4.376
  344    H    LEU  49           H        LEU  49   4.421 -18.087   2.761
  345    HA   LEU  49           HA       LEU  49   1.741 -19.031   2.796
  346   1HB   LEU  49          2HB       LEU  49   4.417 -20.435   2.431
  347   2HB   LEU  49          1HB       LEU  49   2.832 -21.240   2.243
  348    HG   LEU  49           HG       LEU  49   3.744 -18.856   0.549
  349   1HD1  LEU  49          1HD1      LEU  49   3.719 -21.883  -0.067
  350   2HD1  LEU  49          2HD1      LEU  49   5.171 -20.847   0.191
  351   3HD1  LEU  49          3HD1      LEU  49   4.112 -20.557  -1.237
  352   1HD2  LEU  49          1HD2      LEU  49   1.275 -18.997   0.618
  353   2HD2  LEU  49          2HD2      LEU  49   1.332 -20.781   0.313
  354   3HD2  LEU  49          3HD2      LEU  49   1.868 -19.620  -0.959
  355    H    LYS  50           H        LYS  50   2.878 -18.141   5.476
  356    HA   LYS  50           HA       LYS  50   3.565 -20.435   6.879
  357   1HB   LYS  50          2HB       LYS  50   2.860 -17.604   7.639
  358   2HB   LYS  50          1HB       LYS  50   2.978 -18.845   8.930
  359   1HG   LYS  50          2HG       LYS  50   5.044 -17.641   8.713
  360   2HG   LYS  50          1HG       LYS  50   5.278 -19.369   8.326
  361   1HD   LYS  50          2HD       LYS  50   5.370 -18.883   5.916
  362   2HD   LYS  50          1HD       LYS  50   4.904 -17.169   6.206
  363   1HE   LYS  50          2HE       LYS  50   7.020 -16.743   7.391
  364   2HE   LYS  50          1HE       LYS  50   7.514 -18.484   7.207
  365   1HZ   LYS  50          1HZ       LYS  50   6.935 -16.590   4.974
  366   2HZ   LYS  50          2HZ       LYS  50   7.428 -18.187   4.792
  367   3HZ   LYS  50          3HZ       LYS  50   8.476 -17.052   5.494
  368    H    TRP  51           H        TRP  51   0.397 -18.852   6.709
  369    HA   TRP  51           HA       TRP  51  -0.807 -21.080   8.142
  370   1HB   TRP  51          2HB       TRP  51  -2.912 -19.694   7.847
  371   2HB   TRP  51          1HB       TRP  51  -1.611 -18.937   8.821
  372    HD1  TRP  51           HD       TRP  51  -3.300 -18.529   5.327
  373    HE1  TRP  51           1HE      TRP  51  -2.135 -16.605   4.118
  374    HE3  TRP  51           3HE      TRP  51   0.063 -17.221   8.906
  375    HZ2  TRP  51           2HZ      TRP  51  -0.278 -14.589   4.714
  376    HZ3  TRP  51           3HZ      TRP  51   1.515 -15.294   8.511
  377    HH2  TRP  51           HH       TRP  51   1.366 -13.996   6.467
  378    H    TRP  52           H        TRP  52  -0.473 -19.826   4.879
  379    HA   TRP  52           HA       TRP  52  -2.554 -21.326   3.769
  380   1HB   TRP  52          2HB       TRP  52   0.002 -20.304   2.423
  381   2HB   TRP  52          1HB       TRP  52  -1.439 -20.922   1.564
  382    HD1  TRP  52           HD       TRP  52   0.017 -17.712   2.126
  383    HE1  TRP  52           1HE      TRP  52  -1.759 -15.871   1.840
  384    HE3  TRP  52           3HE      TRP  52  -4.177 -20.566   2.565
  385    HZ2  TRP  52           2HZ      TRP  52  -4.560 -15.672   1.859
  386    HZ3  TRP  52           3HZ      TRP  52  -6.352 -19.481   2.438
  387    HH2  TRP  52           HH       TRP  52  -6.553 -17.080   2.096
  388    H    GLU  53           H        GLU  53   0.884 -22.155   4.221
  389    HA   GLU  53           HA       GLU  53   0.190 -24.876   3.356
  390   1HB   GLU  53          2HB       GLU  53   2.127 -23.784   2.176
  391   2HB   GLU  53          1HB       GLU  53   3.003 -23.793   3.740
  392   1HG   GLU  53          2HG       GLU  53   2.640 -26.314   3.879
  393   2HG   GLU  53          1HG       GLU  53   1.708 -26.237   2.343
  394    H    LEU  54           H        LEU  54  -1.099 -24.820   5.418
  395    HA   LEU  54           HA       LEU  54   0.675 -25.889   7.499
  396   1HB   LEU  54          2HB       LEU  54  -0.685 -23.716   7.958
  397   2HB   LEU  54          1HB       LEU  54  -2.118 -24.778   7.978
  398    HG   LEU  54           HG       LEU  54  -1.009 -26.110   9.845
  399   1HD1  LEU  54          1HD1      LEU  54   0.907 -25.030  11.084
  400   2HD1  LEU  54          2HD1      LEU  54   1.102 -23.855   9.727
  401   3HD1  LEU  54          3HD1      LEU  54   1.395 -25.619   9.461
  402   1HD2  LEU  54          1HD2      LEU  54  -2.648 -24.268  10.298
  403   2HD2  LEU  54          2HD2      LEU  54  -1.294 -23.073  10.338
  404   3HD2  LEU  54          3HD2      LEU  54  -1.397 -24.367  11.592
  Start of MODEL   27
    1   1H    VAL   1          1HT       VAL   1   7.857  16.516   9.565
    2   2H    VAL   1          2HT       VAL   1   6.461  17.373   9.205
    3   3H    VAL   1          3HT       VAL   1   7.374  16.677   7.976
    4    HA   VAL   1           HA       VAL   1   5.987  15.017   8.016
    5    HB   VAL   1           HB       VAL   1   6.260  13.294   9.750
    6   1HG1  VAL   1          1HG1      VAL   1   8.657  12.899   9.359
    7   2HG1  VAL   1          2HG1      VAL   1   8.898  14.580   8.791
    8   3HG1  VAL   1          3HG1      VAL   1   7.855  13.443   7.851
    9   1HG2  VAL   1          1HG2      VAL   1   7.857  13.646  11.602
   10   2HG2  VAL   1          2HG2      VAL   1   6.444  14.732  11.783
   11   3HG2  VAL   1          3HG2      VAL   1   8.021  15.385  11.203
   12    H    VAL   2           H        VAL   2   3.822  14.153   8.552
   13    HA   VAL   2           HA       VAL   2   2.598  15.411  10.825
   14    HB   VAL   2           HB       VAL   2   0.538  15.615   9.513
   15   1HG1  VAL   2          1HG1      VAL   2   1.171  17.740   8.366
   16   2HG1  VAL   2          2HG1      VAL   2   2.906  17.295   8.456
   17   3HG1  VAL   2          3HG1      VAL   2   1.992  17.596   9.973
   18   1HG2  VAL   2          1HG2      VAL   2   0.675  15.706   7.006
   19   2HG2  VAL   2          2HG2      VAL   2   0.970  14.052   7.632
   20   3HG2  VAL   2          3HG2      VAL   2   2.351  15.063   7.072
   21    H    SER   3           H        SER   3   1.142  14.084  11.847
   22    HA   SER   3           HA       SER   3   1.140  11.296  10.972
   23   1HB   SER   3          2HB       SER   3   0.277  12.573  13.607
   24   2HB   SER   3          1HB       SER   3   0.310  10.804  13.259
   25    HG   SER   3           HG       SER   3   2.159  11.866  14.355
   26    H    HIS   4           H        HIS   4  -0.450  13.007   9.395
   27    HA   HIS   4           HA       HIS   4  -3.080  11.885   9.989
   28   1HB   HIS   4          2HB       HIS   4  -2.494  14.723   9.007
   29   2HB   HIS   4          1HB       HIS   4  -4.113  13.946   8.907
   30    HD1  HIS   4           1HD      HIS   4  -3.805  16.498  10.542
   31    HD2  HIS   4           2HD      HIS   4  -3.514  12.652  12.200
   32    HE1  HIS   4           1HE      HIS   4  -4.467  16.683  12.958
   33    HE2  HIS   4           2HE      HIS   4  -4.273  14.356  13.925
   34    H    PHE   5           H        PHE   5  -4.365  11.569   8.021
   35    HA   PHE   5           HA       PHE   5  -2.515  10.454   6.083
   36   1HB   PHE   5          2HB       PHE   5  -4.239   9.174   7.611
   37   2HB   PHE   5          1HB       PHE   5  -5.457   9.686   6.412
   38    HD1  PHE   5           1HD      PHE   5  -2.472   7.681   7.082
   39    HD2  PHE   5           2HD      PHE   5  -5.288   8.810   4.111
   40    HE1  PHE   5           1HE      PHE   5  -1.741   5.811   5.679
   41    HE2  PHE   5           2HE      PHE   5  -4.565   6.942   2.708
   42    HZ   PHE   5           HZ       PHE   5  -2.803   5.424   3.493
   43    H    ASN   6           H        ASN   6  -2.707  10.636   3.863
   44    HA   ASN   6           HA       ASN   6  -4.734  12.510   2.879
   45   1HB   ASN   6          2HB       ASN   6  -2.152  13.201   3.047
   46   2HB   ASN   6          1HB       ASN   6  -1.984  12.209   1.569
   47   1HD2  ASN   6          1HD2      ASN   6  -3.096  13.033  -0.406
   48   2HD2  ASN   6          2HD2      ASN   6  -3.747  14.644  -0.460
   49    H    ASP   7           H        ASP   7  -5.269  12.257   0.513
   50    HA   ASP   7           HA       ASP   7  -5.435   9.451  -0.068
   51   1HB   ASP   7          2HB       ASP   7  -7.177  10.026  -1.613
   52   2HB   ASP   7          1HB       ASP   7  -7.475  10.825  -0.052
   53    H    CYS   8           H        CYS   8  -5.687   9.472  -2.768
   54    HA   CYS   8           HA       CYS   8  -2.872   9.561  -3.444
   55   1HB   CYS   8          2HB       CYS   8  -5.155   8.195  -4.947
   56   2HB   CYS   8          1HB       CYS   8  -3.399   7.881  -5.124
   57    HA   PRO   9           HA       PRO   9  -3.798  12.300  -6.888
   58   1HB   PRO   9          2HB       PRO   9  -2.174  10.243  -8.482
   59   2HB   PRO   9          1HB       PRO   9  -2.085  12.049  -8.583
   60   1HG   PRO   9          2HG       PRO   9  -0.188  10.695  -7.170
   61   2HG   PRO   9          1HG       PRO   9  -0.957  12.153  -6.407
   62   1HD   PRO   9          2HD       PRO   9  -1.706   9.189  -5.999
   63   2HD   PRO   9          1HD       PRO   9  -1.420  10.479  -4.738
   64    H    LEU  10           H        LEU  10  -4.520  12.112  -9.313
   65    HA   LEU  10           HA       LEU  10  -7.032  11.137  -9.169
   66   1HB   LEU  10          2HB       LEU  10  -5.406  11.834 -11.669
   67   2HB   LEU  10          1HB       LEU  10  -7.179  11.642 -11.609
   68    HG   LEU  10           HG       LEU  10  -6.788  13.908 -11.686
   69   1HD1  LEU  10          1HD1      LEU  10  -8.554  13.235 -10.040
   70   2HD1  LEU  10          2HD1      LEU  10  -7.808  14.827  -9.659
   71   3HD1  LEU  10          3HD1      LEU  10  -7.347  13.376  -8.704
   72   1HD2  LEU  10          1HD2      LEU  10  -4.363  13.936 -11.014
   73   2HD2  LEU  10          2HD2      LEU  10  -4.887  13.923  -9.276
   74   3HD2  LEU  10          3HD2      LEU  10  -5.356  15.282 -10.347
   75    H    SER  11           H        SER  11  -4.365   9.622 -11.001
   76    HA   SER  11           HA       SER  11  -6.003   7.214 -11.208
   77   1HB   SER  11          2HB       SER  11  -4.077   6.150 -12.360
   78   2HB   SER  11          1HB       SER  11  -4.816   7.539 -13.197
   79    HG   SER  11           HG       SER  11  -2.364   7.509 -11.773
   80    H    HIS  12           H        HIS  12  -6.216   6.095  -9.403
   81    HA   HIS  12           HA       HIS  12  -4.157   6.440  -7.384
   82   1HB   HIS  12          2HB       HIS  12  -5.639   5.874  -5.734
   83   2HB   HIS  12          1HB       HIS  12  -6.591   6.864  -6.866
   84    HD1  HIS  12           1HD      HIS  12  -8.371   5.433  -8.300
   85    HD2  HIS  12           2HD      HIS  12  -6.545   3.387  -5.149
   86    HE1  HIS  12           1HE      HIS  12  -9.703   3.290  -7.946
   87    HE2  HIS  12           2HE      HIS  12  -8.589   2.110  -6.013
   88    H    ASP  13           H        ASP  13  -5.644   3.753  -9.228
   89    HA   ASP  13           HA       ASP  13  -3.705   1.948  -7.956
   90   1HB   ASP  13          2HB       ASP  13  -6.316   1.553  -9.501
   91   2HB   ASP  13          1HB       ASP  13  -5.126   0.214  -9.376
   92    H    GLY  14           H        GLY  14  -2.257   0.753  -9.120
   93   1HA   GLY  14          2HA       GLY  14  -2.332   0.482 -11.888
   94   2HA   GLY  14          1HA       GLY  14  -1.183   1.799 -11.439
   95    H    TYR  15           H        TYR  15   0.490   1.244  -9.834
   96    HA   TYR  15           HA       TYR  15   1.687  -1.226 -10.676
   97   1HB   TYR  15          2HB       TYR  15   2.817   1.062 -10.671
   98   2HB   TYR  15          1HB       TYR  15   2.791   1.015  -8.881
   99    HD1  TYR  15           1HD      TYR  15   3.834  -0.985 -11.868
  100    HD2  TYR  15           2HD      TYR  15   4.643   0.070  -7.835
  101    HE1  TYR  15           1HE      TYR  15   5.962  -2.170 -11.992
  102    HE2  TYR  15           2HE      TYR  15   6.785  -1.099  -7.955
  103    HH   TYR  15           HH       TYR  15   8.375  -1.771  -9.549
  104    H    CYS  16           H        CYS  16   0.212   0.054  -7.747
  105    HA   CYS  16           HA       CYS  16   1.420  -2.007  -6.112
  106   1HB   CYS  16          2HB       CYS  16   1.240   0.484  -5.566
  107   2HB   CYS  16          1HB       CYS  16  -0.510   0.238  -5.367
  108    H    LEU  17           H        LEU  17   0.477  -3.965  -6.222
  109    HA   LEU  17           HA       LEU  17  -2.215  -4.217  -7.130
  110   1HB   LEU  17          2HB       LEU  17   0.211  -5.946  -6.845
  111   2HB   LEU  17          1HB       LEU  17  -1.354  -6.782  -6.842
  112    HG   LEU  17           HG       LEU  17  -1.975  -5.835  -9.002
  113   1HD1  LEU  17          1HD1      LEU  17  -0.750  -3.656  -9.041
  114   2HD1  LEU  17          2HD1      LEU  17  -0.304  -4.673 -10.452
  115   3HD1  LEU  17          3HD1      LEU  17   0.825  -4.544  -9.058
  116   1HD2  LEU  17          1HD2      LEU  17  -0.352  -7.136 -10.358
  117   2HD2  LEU  17          2HD2      LEU  17  -0.734  -8.004  -8.822
  118   3HD2  LEU  17          3HD2      LEU  17   0.833  -7.120  -8.993
  119    H    HIS  18           H        HIS  18  -3.442  -6.150  -6.289
  120    HA   HIS  18           HA       HIS  18  -4.966  -6.739  -4.900
  121   1HB   HIS  18          2HB       HIS  18  -2.456  -7.154  -3.329
  122   2HB   HIS  18          1HB       HIS  18  -3.996  -7.371  -2.451
  123    HD1  HIS  18           1HD      HIS  18  -2.923  -9.798  -2.276
  124    HD2  HIS  18           2HD      HIS  18  -4.867  -8.761  -5.856
  125    HE1  HIS  18           1HE      HIS  18  -3.619 -11.930  -3.375
  126    HE2  HIS  18           2HE      HIS  18  -4.872 -11.289  -5.451
  127    H    ASP  19           H        ASP  19  -5.290  -4.114  -5.199
  128    HA   ASP  19           HA       ASP  19  -6.006  -2.257  -4.353
  129   1HB   ASP  19          2HB       ASP  19  -7.338  -4.285  -2.672
  130   2HB   ASP  19          1HB       ASP  19  -7.209  -2.693  -1.846
  131    H    GLY  20           H        GLY  20  -3.902  -1.569  -4.360
  132   1HA   GLY  20          2HA       GLY  20  -2.388  -1.629  -1.901
  133   2HA   GLY  20          1HA       GLY  20  -1.983  -0.872  -3.484
  134    H    VAL  21           H        VAL  21  -2.317  -0.071  -0.353
  135    HA   VAL  21           HA       VAL  21  -4.135   2.128  -0.632
  136    HB   VAL  21           HB       VAL  21  -2.375   1.391   1.714
  137   1HG1  VAL  21          1HG1      VAL  21  -4.083   2.780   2.949
  138   2HG1  VAL  21          2HG1      VAL  21  -4.876   3.196   1.390
  139   3HG1  VAL  21          3HG1      VAL  21  -3.203   3.775   1.740
  140   1HG2  VAL  21          1HG2      VAL  21  -5.287   0.641   1.013
  141   2HG2  VAL  21          2HG2      VAL  21  -4.497   0.374   2.611
  142   3HG2  VAL  21          3HG2      VAL  21  -3.897  -0.502   1.166
  143    H    CYS  22           H        CYS  22  -3.360   3.676  -1.961
  144    HA   CYS  22           HA       CYS  22  -0.592   4.489  -1.803
  145   1HB   CYS  22          2HB       CYS  22  -1.298   6.048  -3.710
  146   2HB   CYS  22          1HB       CYS  22  -1.348   4.295  -3.997
  147    H    MET  23           H        MET  23   0.084   6.722  -1.553
  148    HA   MET  23           HA       MET  23  -1.862   8.595  -0.619
  149   1HB   MET  23          2HB       MET  23  -0.819   9.001   1.586
  150   2HB   MET  23          1HB       MET  23  -1.528   7.373   1.456
  151   1HG   MET  23          2HG       MET  23   0.915   6.594   0.795
  152   2HG   MET  23          1HG       MET  23   1.428   8.167   1.446
  153   1HE   MET  23          1HE       MET  23   0.806   4.558   1.955
  154   2HE   MET  23          2HE       MET  23  -0.899   5.101   2.064
  155   3HE   MET  23          3HE       MET  23  -0.097   4.349   3.487
  156    H    TYR  24           H        TYR  24  -1.208  10.678  -0.933
  157    HA   TYR  24           HA       TYR  24   1.638  11.140  -1.490
  158   1HB   TYR  24          2HB       TYR  24   0.391  11.350  -3.614
  159   2HB   TYR  24          1HB       TYR  24  -0.847  12.376  -2.797
  160    HD1  TYR  24           1HD      TYR  24   2.835  12.922  -2.271
  161    HD2  TYR  24           2HD      TYR  24  -0.727  13.974  -4.359
  162    HE1  TYR  24           1HE      TYR  24   3.877  14.964  -2.998
  163    HE2  TYR  24           2HE      TYR  24   0.310  16.008  -5.123
  164    HH   TYR  24           HH       TYR  24   3.665  16.875  -4.184
  165    H    ILE  25           H        ILE  25   2.452  12.147   0.303
  166    HA   ILE  25           HA       ILE  25   0.654  13.945   1.736
  167    HB   ILE  25           HB       ILE  25   2.471  13.693   3.508
  168   1HG1  ILE  25          2HG1      ILE  25   3.948  12.221   1.949
  169   2HG1  ILE  25          1HG1      ILE  25   3.720  11.791   3.660
  170   1HG2  ILE  25          1HG2      ILE  25   0.120  13.157   3.780
  171   2HG2  ILE  25          2HG2      ILE  25   1.115  11.833   4.473
  172   3HG2  ILE  25          3HG2      ILE  25   0.313  11.605   2.883
  173   1HD1  ILE  25          1HD1      ILE  25   3.651   9.787   2.191
  174   2HD1  ILE  25          2HD1      ILE  25   2.165  10.413   1.394
  175   3HD1  ILE  25          3HD1      ILE  25   2.143  10.000   3.143
  176    H    GLU  26           H        GLU  26   0.846  15.894   0.940
  177    HA   GLU  26           HA       GLU  26   2.997  17.050  -0.274
  178   1HB   GLU  26          2HB       GLU  26   0.578  17.752  -0.304
  179   2HB   GLU  26          1HB       GLU  26   0.756  18.333   1.373
  180   1HG   GLU  26          2HG       GLU  26   2.536  20.005   0.499
  181   2HG   GLU  26          1HG       GLU  26   2.132  19.441  -1.165
  182    H    ALA  27           H        ALA  27   2.158  16.997   3.172
  183    HA   ALA  27           HA       ALA  27   3.941  18.845   4.118
  184   1HB   ALA  27          1HB       ALA  27   2.103  17.846   5.425
  185   2HB   ALA  27          2HB       ALA  27   3.659  17.606   6.290
  186   3HB   ALA  27          3HB       ALA  27   2.903  16.237   5.363
  187    H    LEU  28           H        LEU  28   4.556  15.399   3.496
  188    HA   LEU  28           HA       LEU  28   7.286  15.620   4.359
  189   1HB   LEU  28          2HB       LEU  28   5.586  13.352   3.203
  190   2HB   LEU  28          1HB       LEU  28   7.342  13.209   3.534
  191    HG   LEU  28           HG       LEU  28   6.888  13.981   5.901
  192   1HD1  LEU  28          1HD1      LEU  28   3.980  13.243   5.200
  193   2HD1  LEU  28          2HD1      LEU  28   4.606  14.801   5.879
  194   3HD1  LEU  28          3HD1      LEU  28   4.644  13.291   6.866
  195   1HD2  LEU  28          1HD2      LEU  28   7.521  11.653   5.253
  196   2HD2  LEU  28          2HD2      LEU  28   5.793  11.247   4.953
  197   3HD2  LEU  28          3HD2      LEU  28   6.351  11.634   6.620
  198    H    ASP  29           H        ASP  29   5.430  15.603   1.434
  199    HA   ASP  29           HA       ASP  29   5.753  16.245  -0.554
  200   1HB   ASP  29          2HB       ASP  29   7.756  17.606   0.392
  201   2HB   ASP  29          1HB       ASP  29   8.793  16.323  -0.307
  202    H    LYS  30           H        LYS  30   6.292  13.450   0.722
  203    HA   LYS  30           HA       LYS  30   7.048  12.113  -1.780
  204   1HB   LYS  30          2HB       LYS  30   7.398  11.273   1.162
  205   2HB   LYS  30          1HB       LYS  30   7.806  10.233  -0.233
  206   1HG   LYS  30          2HG       LYS  30   9.199  12.858   0.509
  207   2HG   LYS  30          1HG       LYS  30   9.829  11.181   0.616
  208   1HD   LYS  30          2HD       LYS  30   9.277  11.020  -1.925
  209   2HD   LYS  30          1HD       LYS  30   9.112  12.803  -1.874
  210   1HE   LYS  30          2HE       LYS  30  11.505  13.066  -1.298
  211   2HE   LYS  30          1HE       LYS  30  11.689  11.278  -1.058
  212   1HZ   LYS  30          1HZ       LYS  30  10.807  12.482  -3.636
  213   2HZ   LYS  30          2HZ       LYS  30  11.304  10.907  -3.352
  214   3HZ   LYS  30          3HZ       LYS  30  12.422  12.152  -3.300
  215    H    TYR  31           H        TYR  31   6.417   9.695  -1.563
  216    HA   TYR  31           HA       TYR  31   3.515   9.635  -1.196
  217   1HB   TYR  31          2HB       TYR  31   4.930   7.939  -3.312
  218   2HB   TYR  31          1HB       TYR  31   3.228   8.496  -3.258
  219    HD1  TYR  31           1HD      TYR  31   2.683  10.709  -4.106
  220    HD2  TYR  31           2HD      TYR  31   6.681   9.317  -4.015
  221    HE1  TYR  31           1HE      TYR  31   3.360  12.596  -5.530
  222    HE2  TYR  31           2HE      TYR  31   7.382  11.206  -5.431
  223    HH   TYR  31           HH       TYR  31   5.068  13.706  -6.460
  224    H    ALA  32           H        ALA  32   2.795   7.262  -1.036
  225    HA   ALA  32           HA       ALA  32   4.887   5.383  -0.873
  226   1HB   ALA  32          1HB       ALA  32   4.930   6.140   1.540
  227   2HB   ALA  32          2HB       ALA  32   4.331   4.451   1.429
  228   3HB   ALA  32          3HB       ALA  32   3.170   5.811   1.670
  229    H    CYS  33           H        CYS  33   3.994   3.109  -0.687
  230    HA   CYS  33           HA       CYS  33   1.103   3.026  -0.807
  231   1HB   CYS  33          2HB       CYS  33   2.031   2.607  -3.149
  232   2HB   CYS  33          1HB       CYS  33   2.796   1.129  -2.501
  233    H    ASN  34           H        ASN  34   0.221   1.584   0.582
  234    HA   ASN  34           HA       ASN  34   2.012  -0.397   1.834
  235   1HB   ASN  34          2HB       ASN  34  -0.472   1.081   2.846
  236   2HB   ASN  34          1HB       ASN  34   0.018  -0.501   3.549
  237   1HD2  ASN  34          1HD2      ASN  34   0.897  -0.103   5.485
  238   2HD2  ASN  34          2HD2      ASN  34   2.030   1.175   5.842
  239    H    CYS  35           H        CYS  35   1.129  -2.538   2.166
  240    HA   CYS  35           HA       CYS  35  -1.116  -3.131   0.398
  241   1HB   CYS  35          2HB       CYS  35   0.101  -5.092  -0.541
  242   2HB   CYS  35          1HB       CYS  35   0.815  -3.514  -0.984
  243    H    VAL  36           H        VAL  36  -1.675  -5.517   0.568
  244    HA   VAL  36           HA       VAL  36  -2.643  -5.939   3.105
  245    HB   VAL  36           HB       VAL  36  -2.316  -7.981   0.907
  246   1HG1  VAL  36          1HG1      VAL  36  -3.213  -9.047   2.949
  247   2HG1  VAL  36          2HG1      VAL  36  -4.540  -8.821   1.772
  248   3HG1  VAL  36          3HG1      VAL  36  -4.404  -7.694   3.164
  249   1HG2  VAL  36          1HG2      VAL  36  -3.342  -5.995  -0.131
  250   2HG2  VAL  36          2HG2      VAL  36  -4.410  -5.739   1.305
  251   3HG2  VAL  36          3HG2      VAL  36  -4.656  -7.153   0.226
  252    H    VAL  37           H        VAL  37  -2.359  -7.757   4.546
  253    HA   VAL  37           HA       VAL  37   0.444  -8.034   5.119
  254    HB   VAL  37           HB       VAL  37  -1.972  -8.904   6.731
  255   1HG1  VAL  37          1HG1      VAL  37   1.018  -8.530   7.456
  256   2HG1  VAL  37          2HG1      VAL  37   0.125 -10.099   7.428
  257   3HG1  VAL  37          3HG1      VAL  37  -0.308  -8.839   8.624
  258   1HG2  VAL  37          1HG2      VAL  37  -0.263  -6.329   6.775
  259   2HG2  VAL  37          2HG2      VAL  37  -1.454  -6.806   8.037
  260   3HG2  VAL  37          3HG2      VAL  37  -2.019  -6.442   6.372
  261    H    GLY  38           H        GLY  38   1.601  -9.913   5.123
  262   1HA   GLY  38          2HA       GLY  38   2.033 -12.093   4.876
  263   2HA   GLY  38          1HA       GLY  38   0.310 -12.428   4.508
  264    H    TYR  39           H        TYR  39   1.835  -9.849   2.821
  265    HA   TYR  39           HA       TYR  39   2.328 -11.541   0.482
  266   1HB   TYR  39          2HB       TYR  39   0.879  -8.812   0.658
  267   2HB   TYR  39          1HB       TYR  39   1.618  -9.419  -0.858
  268    HD1  TYR  39           1HD      TYR  39  -1.199  -9.813   1.383
  269    HD2  TYR  39           2HD      TYR  39   0.997 -11.575  -1.786
  270    HE1  TYR  39           1HE      TYR  39  -3.162 -11.157   0.781
  271    HE2  TYR  39           2HE      TYR  39  -0.925 -12.981  -2.348
  272    HH   TYR  39           HH       TYR  39  -4.073 -12.430  -0.906
  273    H    ILE  40           H        ILE  40   4.172 -11.158  -0.620
  274    HA   ILE  40           HA       ILE  40   5.935  -9.059   0.417
  275    HB   ILE  40           HB       ILE  40   7.793 -10.750   0.151
  276   1HG1  ILE  40          2HG1      ILE  40   5.430 -12.725   0.285
  277   2HG1  ILE  40          1HG1      ILE  40   6.396 -12.375  -1.192
  278   1HG2  ILE  40          1HG2      ILE  40   5.678 -11.233   2.338
  279   2HG2  ILE  40          2HG2      ILE  40   6.895  -9.894   2.305
  280   3HG2  ILE  40          3HG2      ILE  40   7.439 -11.599   2.423
  281   1HD1  ILE  40          1HD1      ILE  40   8.475 -13.145   0.047
  282   2HD1  ILE  40          2HD1      ILE  40   7.234 -14.439  -0.145
  283   3HD1  ILE  40          3HD1      ILE  40   7.436 -13.623   1.440
  284    H    GLY  41           H        GLY  41   7.703  -8.481  -0.856
  285   1HA   GLY  41          2HA       GLY  41   8.900  -8.402  -2.778
  286   2HA   GLY  41          1HA       GLY  41   7.548  -9.132  -3.699
  287    H    GLU  42           H        GLU  42   8.356  -7.242  -5.127
  288    HA   GLU  42           HA       GLU  42   8.295  -4.640  -4.331
  289   1HB   GLU  42          2HB       GLU  42   7.687  -5.774  -7.111
  290   2HB   GLU  42          1HB       GLU  42   8.152  -4.084  -6.777
  291   1HG   GLU  42          2HG       GLU  42  10.405  -4.732  -6.107
  292   2HG   GLU  42          1HG       GLU  42   9.993  -6.485  -6.176
  293    H    ARG  43           H        ARG  43   5.767  -6.424  -6.054
  294    HA   ARG  43           HA       ARG  43   3.906  -4.182  -5.699
  295   1HB   ARG  43          2HB       ARG  43   2.703  -5.154  -7.609
  296   2HB   ARG  43          1HB       ARG  43   4.405  -4.804  -7.978
  297   1HG   ARG  43          2HG       ARG  43   4.708  -7.439  -7.259
  298   2HG   ARG  43          1HG       ARG  43   3.004  -7.462  -7.762
  299   1HD   ARG  43          2HD       ARG  43   4.335  -8.050  -9.699
  300   2HD   ARG  43          1HD       ARG  43   3.757  -6.366  -9.981
  301    HE   ARG  43           HE       ARG  43   6.509  -7.089  -8.869
  302   1HH1  ARG  43          1HH1      ARG  43   4.669  -4.882 -11.025
  303   2HH1  ARG  43          2HH1      ARG  43   6.064  -4.655 -12.031
  304   1HH2  ARG  43          1HH2      ARG  43   8.359  -6.168  -9.979
  305   2HH2  ARG  43          2HH2      ARG  43   8.053  -5.366 -11.465
  306    H    CYS  44           H        CYS  44   4.775  -6.473  -3.803
  307    HA   CYS  44           HA       CYS  44   3.981  -7.895  -2.413
  308   1HB   CYS  44          2HB       CYS  44   1.419  -6.271  -2.379
  309   2HB   CYS  44          1HB       CYS  44   2.074  -7.305  -1.073
  310    H    GLN  45           H        GLN  45   3.932  -9.180  -4.637
  311    HA   GLN  45           HA       GLN  45   1.274 -10.192  -5.158
  312   1HB   GLN  45          2HB       GLN  45   3.028  -9.527  -6.907
  313   2HB   GLN  45          1HB       GLN  45   3.860 -11.047  -6.495
  314   1HG   GLN  45          2HG       GLN  45   1.635 -12.279  -7.030
  315   2HG   GLN  45          1HG       GLN  45   0.981 -10.692  -7.583
  316   1HE2  GLN  45          1HE2      GLN  45   2.336  -9.564  -9.307
  317   2HE2  GLN  45          2HE2      GLN  45   3.064 -10.578 -10.534
  318    H    TYR  46           H        TYR  46   4.353 -11.458  -3.758
  319    HA   TYR  46           HA       TYR  46   3.283 -14.113  -4.100
  320   1HB   TYR  46          2HB       TYR  46   5.938 -13.457  -2.791
  321   2HB   TYR  46          1HB       TYR  46   5.430 -14.978  -3.600
  322    HD1  TYR  46           1HD      TYR  46   7.647 -12.592  -3.924
  323    HD2  TYR  46           2HD      TYR  46   4.370 -14.102  -6.183
  324    HE1  TYR  46           1HE      TYR  46   8.681 -11.769  -5.967
  325    HE2  TYR  46           2HE      TYR  46   5.394 -13.281  -8.223
  326    HH   TYR  46           HH       TYR  46   8.603 -11.823  -8.265
  327    H    ARG  47           H        ARG  47   3.133 -15.678  -2.434
  328    HA   ARG  47           HA       ARG  47   1.828 -14.415  -0.180
  329   1HB   ARG  47          2HB       ARG  47   1.723 -17.300  -1.156
  330   2HB   ARG  47          1HB       ARG  47   0.586 -16.503  -0.020
  331   1HG   ARG  47          2HG       ARG  47  -0.148 -14.983  -1.896
  332   2HG   ARG  47          1HG       ARG  47   1.016 -15.803  -2.993
  333   1HD   ARG  47          2HD       ARG  47  -0.203 -18.003  -2.538
  334   2HD   ARG  47          1HD       ARG  47  -1.495 -17.032  -1.706
  335    HE   ARG  47           HE       ARG  47  -1.010 -15.782  -4.241
  336   1HH1  ARG  47          1HH1      ARG  47  -2.353 -18.888  -3.107
  337   2HH1  ARG  47          2HH1      ARG  47  -2.979 -19.281  -4.645
  338   1HH2  ARG  47          1HH2      ARG  47  -1.804 -16.386  -6.249
  339   2HH2  ARG  47          2HH2      ARG  47  -2.448 -17.974  -6.500
  340    H    ASP  48           H        ASP  48   2.415 -14.593   1.911
  341    HA   ASP  48           HA       ASP  48   4.843 -15.988   2.506
  342   1HB   ASP  48          2HB       ASP  48   4.287 -13.642   3.277
  343   2HB   ASP  48          1HB       ASP  48   2.982 -14.334   4.301
  344    H    LEU  49           H        LEU  49   5.094 -17.711   3.902
  345    HA   LEU  49           HA       LEU  49   2.824 -19.457   3.754
  346   1HB   LEU  49          2HB       LEU  49   4.302 -21.252   3.862
  347   2HB   LEU  49          1HB       LEU  49   5.032 -20.044   2.781
  348    HG   LEU  49           HG       LEU  49   5.848 -20.487   5.717
  349   1HD1  LEU  49          1HD1      LEU  49   7.123 -21.536   3.124
  350   2HD1  LEU  49          2HD1      LEU  49   6.240 -22.515   4.357
  351   3HD1  LEU  49          3HD1      LEU  49   7.798 -21.709   4.785
  352   1HD2  LEU  49          1HD2      LEU  49   6.547 -18.220   4.965
  353   2HD2  LEU  49          2HD2      LEU  49   7.251 -18.933   3.456
  354   3HD2  LEU  49          3HD2      LEU  49   7.963 -19.314   5.063
  355    H    LYS  50           H        LYS  50   3.791 -17.528   6.260
  356    HA   LYS  50           HA       LYS  50   4.275 -19.364   8.244
  357   1HB   LYS  50          2HB       LYS  50   3.291 -16.505   8.607
  358   2HB   LYS  50          1HB       LYS  50   4.186 -17.493   9.802
  359   1HG   LYS  50          2HG       LYS  50   5.248 -16.444   7.116
  360   2HG   LYS  50          1HG       LYS  50   5.631 -15.817   8.733
  361   1HD   LYS  50          2HD       LYS  50   6.313 -18.629   7.686
  362   2HD   LYS  50          1HD       LYS  50   7.430 -17.225   7.745
  363   1HE   LYS  50          2HE       LYS  50   7.231 -17.176  10.269
  364   2HE   LYS  50          1HE       LYS  50   6.145 -18.627  10.190
  365   1HZ   LYS  50          1HZ       LYS  50   7.943 -19.866   9.184
  366   2HZ   LYS  50          2HZ       LYS  50   8.435 -19.177  10.653
  367   3HZ   LYS  50          3HZ       LYS  50   8.949 -18.513   9.183
  368    H    TRP  51           H        TRP  51   1.126 -17.756   7.650
  369    HA   TRP  51           HA       TRP  51   0.017 -19.270   9.845
  370   1HB   TRP  51          2HB       TRP  51  -2.193 -18.415   9.031
  371   2HB   TRP  51          1HB       TRP  51  -0.996 -17.234   9.662
  372    HD1  TRP  51           HD       TRP  51  -2.070 -18.468   6.063
  373    HE1  TRP  51           1HE      TRP  51  -2.127 -16.341   4.567
  374    HE3  TRP  51           3HE      TRP  51  -0.851 -15.000   9.559
  375    HZ2  TRP  51           2HZ      TRP  51  -2.002 -13.574   4.946
  376    HZ3  TRP  51           3HZ      TRP  51  -0.922 -12.640   8.957
  377    HH2  TRP  51           HH       TRP  51  -1.487 -11.925   6.703
  378    H    TRP  52           H        TRP  52   0.392 -19.762   6.451
  379    HA   TRP  52           HA       TRP  52  -1.666 -21.711   6.227
  380   1HB   TRP  52          2HB       TRP  52   0.777 -21.132   4.458
  381   2HB   TRP  52          1HB       TRP  52  -0.546 -22.267   4.027
  382    HD1  TRP  52           HD       TRP  52   0.394 -18.772   3.373
  383    HE1  TRP  52           1HE      TRP  52  -1.673 -17.443   2.563
  384    HE3  TRP  52           3HE      TRP  52  -3.250 -22.114   4.537
  385    HZ2  TRP  52           2HZ      TRP  52  -4.399 -17.934   2.120
  386    HZ3  TRP  52           3HZ      TRP  52  -5.552 -21.624   3.895
  387    HH2  TRP  52           HH       TRP  52  -6.123 -19.579   2.701
  388    H    GLU  53           H        GLU  53   1.889 -22.101   6.193
  389    HA   GLU  53           HA       GLU  53   1.418 -24.986   6.241
  390   1HB   GLU  53          2HB       GLU  53   2.770 -23.608   4.444
  391   2HB   GLU  53          1HB       GLU  53   4.080 -23.666   5.633
  392   1HG   GLU  53          2HG       GLU  53   4.433 -25.552   4.179
  393   2HG   GLU  53          1HG       GLU  53   3.713 -26.278   5.658
  394    H    LEU  54           H        LEU  54   0.847 -24.475   8.608
  395    HA   LEU  54           HA       LEU  54   3.287 -24.679  10.227
  396   1HB   LEU  54          2HB       LEU  54   1.735 -22.485  10.135
  397   2HB   LEU  54          1HB       LEU  54   0.742 -23.414  11.280
  398    HG   LEU  54           HG       LEU  54   2.232 -21.870  12.409
  399   1HD1  LEU  54          1HD1      LEU  54   3.339 -24.702  12.883
  400   2HD1  LEU  54          2HD1      LEU  54   1.814 -24.024  13.587
  401   3HD1  LEU  54          3HD1      LEU  54   3.407 -23.306  14.018
  402   1HD2  LEU  54          1HD2      LEU  54   4.646 -23.288  11.118
  403   2HD2  LEU  54          2HD2      LEU  54   4.690 -21.943  12.310
  404   3HD2  LEU  54          3HD2      LEU  54   4.002 -21.665  10.663
  Start of MODEL   28
    1   1H    VAL   1          1HT       VAL   1   8.172  18.381   7.613
    2   2H    VAL   1          2HT       VAL   1   8.000  20.048   7.654
    3   3H    VAL   1          3HT       VAL   1   7.056  19.171   6.619
    4    HA   VAL   1           HA       VAL   1   6.834  18.180   9.253
    5    HB   VAL   1           HB       VAL   1   5.659  20.035  10.339
    6   1HG1  VAL   1          1HG1      VAL   1   8.045  19.507  10.821
    7   2HG1  VAL   1          2HG1      VAL   1   7.669  21.251  10.988
    8   3HG1  VAL   1          3HG1      VAL   1   8.570  20.678   9.548
    9   1HG2  VAL   1          1HG2      VAL   1   4.973  21.375   8.334
   10   2HG2  VAL   1          2HG2      VAL   1   6.697  21.743   7.971
   11   3HG2  VAL   1          3HG2      VAL   1   5.947  22.345   9.484
   12    H    VAL   2           H        VAL   2   4.694  17.545   9.880
   13    HA   VAL   2           HA       VAL   2   3.062  17.290   7.527
   14    HB   VAL   2           HB       VAL   2   3.725  15.305   8.529
   15   1HG1  VAL   2          1HG1      VAL   2   2.233  16.180  11.083
   16   2HG1  VAL   2          2HG1      VAL   2   4.021  15.975  10.912
   17   3HG1  VAL   2          3HG1      VAL   2   2.936  14.562  10.751
   18   1HG2  VAL   2          1HG2      VAL   2   1.549  14.229   8.613
   19   2HG2  VAL   2          2HG2      VAL   2   1.467  15.557   7.401
   20   3HG2  VAL   2          3HG2      VAL   2   0.713  15.764   9.034
   21    H    SER   3           H        SER   3   1.364  18.476   7.098
   22    HA   SER   3           HA       SER   3   0.109  19.952   9.285
   23   1HB   SER   3          2HB       SER   3  -0.196  20.267   6.255
   24   2HB   SER   3          1HB       SER   3  -0.896  21.341   7.516
   25    HG   SER   3           HG       SER   3   1.146  21.963   8.078
   26    H    HIS   4           H        HIS   4  -0.942  17.985   6.396
   27    HA   HIS   4           HA       HIS   4  -3.142  17.034   8.089
   28   1HB   HIS   4          2HB       HIS   4  -3.151  17.440   5.041
   29   2HB   HIS   4          1HB       HIS   4  -4.415  16.585   5.981
   30    HD1  HIS   4           1HD      HIS   4  -3.150  20.087   5.295
   31    HD2  HIS   4           2HD      HIS   4  -6.379  18.121   7.116
   32    HE1  HIS   4           1HE      HIS   4  -4.844  21.824   5.780
   33    HE2  HIS   4           2HE      HIS   4  -6.787  20.659   6.894
   34    H    PHE   5           H        PHE   5  -3.766  14.806   7.604
   35    HA   PHE   5           HA       PHE   5  -1.725  13.366   6.062
   36   1HB   PHE   5          2HB       PHE   5  -2.306  12.867   8.747
   37   2HB   PHE   5          1HB       PHE   5  -3.428  11.729   7.939
   38    HD1  PHE   5           1HD      PHE   5  -2.434  10.108   6.255
   39    HD2  PHE   5           2HD      PHE   5  -0.007  12.563   8.734
   40    HE1  PHE   5           1HE      PHE   5  -0.519   8.671   5.791
   41    HE2  PHE   5           2HE      PHE   5   1.934  11.143   8.225
   42    HZ   PHE   5           HZ       PHE   5   1.674   9.192   6.766
   43    H    ASN   6           H        ASN   6  -2.476  11.994   4.434
   44    HA   ASN   6           HA       ASN   6  -5.368  11.991   4.028
   45   1HB   ASN   6          2HB       ASN   6  -3.315  12.515   1.800
   46   2HB   ASN   6          1HB       ASN   6  -5.098  12.476   1.629
   47   1HD2  ASN   6          1HD2      ASN   6  -5.833  14.184   3.870
   48   2HD2  ASN   6          2HD2      ASN   6  -5.367  15.774   3.352
   49    H    ASP   7           H        ASP   7  -6.046  10.234   2.641
   50    HA   ASP   7           HA       ASP   7  -4.037   8.133   2.243
   51   1HB   ASP   7          2HB       ASP   7  -7.107   8.144   2.038
   52   2HB   ASP   7          1HB       ASP   7  -6.069   6.746   1.563
   53    H    CYS   8           H        CYS   8  -4.281   7.060   0.047
   54    HA   CYS   8           HA       CYS   8  -3.954   9.113  -1.941
   55   1HB   CYS   8          2HB       CYS   8  -2.391   7.230  -1.460
   56   2HB   CYS   8          1HB       CYS   8  -3.675   6.066  -1.861
   57    HA   PRO   9           HA       PRO   9  -7.976   8.274  -3.509
   58   1HB   PRO   9          2HB       PRO   9  -7.775   8.781  -6.255
   59   2HB   PRO   9          1HB       PRO   9  -7.775  10.057  -4.981
   60   1HG   PRO   9          2HG       PRO   9  -5.310   8.746  -6.268
   61   2HG   PRO   9          1HG       PRO   9  -5.670  10.525  -6.099
   62   1HD   PRO   9          2HD       PRO   9  -4.084   9.256  -4.265
   63   2HD   PRO   9          1HD       PRO   9  -5.366  10.410  -3.679
   64    H    LEU  10           H        LEU  10  -9.273   6.847  -4.772
   65    HA   LEU  10           HA       LEU  10  -8.767   4.382  -4.154
   66   1HB   LEU  10          2HB       LEU  10 -10.940   5.361  -4.777
   67   2HB   LEU  10          1HB       LEU  10 -10.466   5.381  -6.492
   68    HG   LEU  10           HG       LEU  10 -10.415   2.873  -6.511
   69   1HD1  LEU  10          1HD1      LEU  10  -9.842   2.361  -4.148
   70   2HD1  LEU  10          2HD1      LEU  10 -11.434   1.632  -4.555
   71   3HD1  LEU  10          3HD1      LEU  10 -11.364   3.147  -3.587
   72   1HD2  LEU  10          1HD2      LEU  10 -12.480   4.107  -7.144
   73   2HD2  LEU  10          2HD2      LEU  10 -13.027   4.097  -5.422
   74   3HD2  LEU  10          3HD2      LEU  10 -12.872   2.547  -6.331
   75    H    SER  11           H        SER  11  -8.464   5.326  -7.574
   76    HA   SER  11           HA       SER  11  -6.367   3.298  -7.871
   77   1HB   SER  11          2HB       SER  11  -8.440   2.137  -8.602
   78   2HB   SER  11          1HB       SER  11  -8.833   3.505  -9.679
   79    HG   SER  11           HG       SER  11  -6.402   2.054  -9.901
   80    H    HIS  12           H        HIS  12  -4.660   4.547  -8.409
   81    HA   HIS  12           HA       HIS  12  -5.039   6.373 -10.642
   82   1HB   HIS  12          2HB       HIS  12  -5.594   7.568  -8.399
   83   2HB   HIS  12          1HB       HIS  12  -3.859   7.444  -8.020
   84    HD1  HIS  12           1HD      HIS  12  -6.328   9.553  -9.680
   85    HD2  HIS  12           2HD      HIS  12  -2.238   8.809 -10.260
   86    HE1  HIS  12           1HE      HIS  12  -5.422  11.485 -10.982
   87    HE2  HIS  12           2HE      HIS  12  -2.969  11.024 -11.334
   88    H    ASP  13           H        ASP  13  -2.776   4.874  -8.305
   89    HA   ASP  13           HA       ASP  13  -0.636   5.299 -10.247
   90   1HB   ASP  13          2HB       ASP  13  -0.543   6.118  -7.759
   91   2HB   ASP  13          1HB       ASP  13  -0.356   4.386  -7.331
   92    H    GLY  14           H        GLY  14   0.774   3.350 -10.579
   93   1HA   GLY  14          2HA       GLY  14  -0.759   0.854 -10.288
   94   2HA   GLY  14          1HA       GLY  14  -0.145   1.457 -11.862
   95    H    TYR  15           H        TYR  15   1.972   2.161  -9.304
   96    HA   TYR  15           HA       TYR  15   3.810   0.185 -10.230
   97   1HB   TYR  15          2HB       TYR  15   4.454   2.568  -9.696
   98   2HB   TYR  15          1HB       TYR  15   4.048   2.260  -7.979
   99    HD1  TYR  15           1HD      TYR  15   5.957   0.293 -10.591
  100    HD2  TYR  15           2HD      TYR  15   6.012   2.256  -6.820
  101    HE1  TYR  15           1HE      TYR  15   8.213  -0.537 -10.190
  102    HE2  TYR  15           2HE      TYR  15   8.262   1.393  -6.405
  103    HH   TYR  15           HH       TYR  15   9.886  -0.019  -7.115
  104    H    CYS  16           H        CYS  16   1.633   0.542  -7.499
  105    HA   CYS  16           HA       CYS  16   2.758  -1.858  -6.274
  106   1HB   CYS  16          2HB       CYS  16   2.034   0.241  -4.999
  107   2HB   CYS  16          1HB       CYS  16   0.345  -0.200  -5.385
  108    H    LEU  17           H        LEU  17   1.910  -3.879  -6.598
  109    HA   LEU  17           HA       LEU  17  -0.290  -4.013  -8.495
  110   1HB   LEU  17          2HB       LEU  17   1.821  -6.030  -7.611
  111   2HB   LEU  17          1HB       LEU  17   0.457  -6.438  -8.688
  112    HG   LEU  17           HG       LEU  17   2.317  -6.205 -10.042
  113   1HD1  LEU  17          1HD1      LEU  17   0.747  -3.582 -10.408
  114   2HD1  LEU  17          2HD1      LEU  17   0.216  -5.216 -10.982
  115   3HD1  LEU  17          3HD1      LEU  17   1.706  -4.458 -11.650
  116   1HD2  LEU  17          1HD2      LEU  17   3.809  -4.868  -8.549
  117   2HD2  LEU  17          2HD2      LEU  17   2.894  -3.369  -8.999
  118   3HD2  LEU  17          3HD2      LEU  17   3.796  -4.280 -10.253
  119    H    HIS  18           H        HIS  18  -1.619  -6.014  -8.281
  120    HA   HIS  18           HA       HIS  18  -3.304  -6.971  -7.332
  121   1HB   HIS  18          2HB       HIS  18  -1.229  -8.125  -6.317
  122   2HB   HIS  18          1HB       HIS  18  -1.660  -7.330  -4.794
  123    HD1  HIS  18           1HD      HIS  18  -4.181  -8.114  -3.908
  124    HD2  HIS  18           2HD      HIS  18  -2.513 -10.421  -6.975
  125    HE1  HIS  18           1HE      HIS  18  -5.342 -10.359  -3.844
  126    HE2  HIS  18           2HE      HIS  18  -4.343 -11.707  -5.729
  127    H    ASP  19           H        ASP  19  -3.366  -4.178  -7.085
  128    HA   ASP  19           HA       ASP  19  -4.197  -2.481  -6.083
  129   1HB   ASP  19          2HB       ASP  19  -6.206  -3.737  -6.809
  130   2HB   ASP  19          1HB       ASP  19  -6.377  -4.408  -5.152
  131    H    GLY  20           H        GLY  20  -2.346  -2.199  -4.777
  132   1HA   GLY  20          2HA       GLY  20  -2.643  -2.912  -1.973
  133   2HA   GLY  20          1HA       GLY  20  -1.247  -2.156  -2.811
  134    H    VAL  21           H        VAL  21  -2.126  -1.260  -0.295
  135    HA   VAL  21           HA       VAL  21  -3.890   0.962  -0.737
  136    HB   VAL  21           HB       VAL  21  -2.491   0.049   1.781
  137   1HG1  VAL  21          1HG1      VAL  21  -3.125   2.494   1.844
  138   2HG1  VAL  21          2HG1      VAL  21  -4.224   1.516   2.873
  139   3HG1  VAL  21          3HG1      VAL  21  -4.778   2.076   1.256
  140   1HG2  VAL  21          1HG2      VAL  21  -5.347  -0.411   0.691
  141   2HG2  VAL  21          2HG2      VAL  21  -4.791  -0.815   2.350
  142   3HG2  VAL  21          3HG2      VAL  21  -4.087  -1.678   0.940
  143    H    CYS  22           H        CYS  22  -2.997   2.549  -1.821
  144    HA   CYS  22           HA       CYS  22  -0.252   3.290  -1.627
  145   1HB   CYS  22          2HB       CYS  22  -1.364   3.431  -3.731
  146   2HB   CYS  22          1HB       CYS  22  -2.755   4.268  -3.033
  147    H    MET  23           H        MET  23   0.707   4.971  -0.518
  148    HA   MET  23           HA       MET  23  -1.106   7.052   0.443
  149   1HB   MET  23          2HB       MET  23   1.304   6.124   2.068
  150   2HB   MET  23          1HB       MET  23   0.173   7.467   2.453
  151   1HG   MET  23          2HG       MET  23  -1.679   5.648   2.519
  152   2HG   MET  23          1HG       MET  23  -0.352   4.463   2.527
  153   1HE   MET  23          1HE       MET  23   1.644   5.791   5.813
  154   2HE   MET  23          2HE       MET  23   1.705   6.831   4.357
  155   3HE   MET  23          3HE       MET  23   1.843   5.043   4.195
  156    H    TYR  24           H        TYR  24  -0.590   8.792  -0.803
  157    HA   TYR  24           HA       TYR  24   2.243   9.513  -0.744
  158   1HB   TYR  24          2HB       TYR  24   1.811   9.046  -3.131
  159   2HB   TYR  24          1HB       TYR  24   0.290  10.038  -3.063
  160    HD1  TYR  24           1HD      TYR  24   3.859  10.502  -1.964
  161    HD2  TYR  24           2HD      TYR  24   0.502  11.984  -4.121
  162    HE1  TYR  24           1HE      TYR  24   5.066  12.542  -2.411
  163    HE2  TYR  24           2HE      TYR  24   1.695  14.029  -4.594
  164    HH   TYR  24           HH       TYR  24   5.030  14.575  -3.381
  165    H    ILE  25           H        ILE  25   2.498  11.202   0.588
  166    HA   ILE  25           HA       ILE  25   0.302  13.112   0.774
  167    HB   ILE  25           HB       ILE  25   1.111  13.408   3.141
  168   1HG1  ILE  25          2HG1      ILE  25   3.049  11.643   2.812
  169   2HG1  ILE  25          1HG1      ILE  25   2.116  11.736   4.329
  170   1HG2  ILE  25          1HG2      ILE  25  -0.660  11.068   2.242
  171   2HG2  ILE  25          2HG2      ILE  25  -1.137  12.783   2.515
  172   3HG2  ILE  25          3HG2      ILE  25  -0.598  11.761   3.902
  173   1HD1  ILE  25          1HD1      ILE  25   2.509   9.382   3.627
  174   2HD1  ILE  25          2HD1      ILE  25   1.546   9.661   2.128
  175   3HD1  ILE  25          3HD1      ILE  25   0.762   9.774   3.740
  176    H    GLU  26           H        GLU  26   0.865  15.053   0.224
  177    HA   GLU  26           HA       GLU  26   3.264  15.496  -0.952
  178   1HB   GLU  26          2HB       GLU  26   1.158  17.516  -0.063
  179   2HB   GLU  26          1HB       GLU  26   2.380  17.769  -1.356
  180   1HG   GLU  26          2HG       GLU  26   1.358  15.851  -2.653
  181   2HG   GLU  26          1HG       GLU  26   0.045  15.733  -1.423
  182    H    ALA  27           H        ALA  27   2.382  16.477   2.346
  183    HA   ALA  27           HA       ALA  27   4.006  18.720   2.456
  184   1HB   ALA  27          1HB       ALA  27   2.104  18.258   4.020
  185   2HB   ALA  27          2HB       ALA  27   3.636  18.581   4.903
  186   3HB   ALA  27          3HB       ALA  27   3.039  16.894   4.743
  187    H    LEU  28           H        LEU  28   4.598  15.450   3.733
  188    HA   LEU  28           HA       LEU  28   7.392  16.059   4.153
  189   1HB   LEU  28          2HB       LEU  28   5.931  13.366   4.338
  190   2HB   LEU  28          1HB       LEU  28   7.547  13.768   4.997
  191    HG   LEU  28           HG       LEU  28   4.818  14.787   5.955
  192   1HD1  LEU  28          1HD1      LEU  28   5.443  12.476   6.663
  193   2HD1  LEU  28          2HD1      LEU  28   5.460  13.619   8.060
  194   3HD1  LEU  28          3HD1      LEU  28   7.009  13.097   7.313
  195   1HD2  LEU  28          1HD2      LEU  28   6.258  16.711   6.187
  196   2HD2  LEU  28          2HD2      LEU  28   7.634  15.697   6.798
  197   3HD2  LEU  28          3HD2      LEU  28   6.159  15.918   7.807
  198    H    ASP  29           H        ASP  29   5.371  14.850   1.686
  199    HA   ASP  29           HA       ASP  29   5.629  14.204  -0.322
  200   1HB   ASP  29          2HB       ASP  29   7.093  16.321  -0.165
  201   2HB   ASP  29          1HB       ASP  29   8.505  15.226  -0.300
  202    H    LYS  30           H        LYS  30   5.671  12.117   1.183
  203    HA   LYS  30           HA       LYS  30   7.748  10.374   0.042
  204   1HB   LYS  30          2HB       LYS  30   6.228  10.092   2.703
  205   2HB   LYS  30          1HB       LYS  30   7.524   9.010   2.109
  206   1HG   LYS  30          2HG       LYS  30   7.836  11.964   2.935
  207   2HG   LYS  30          1HG       LYS  30   8.326  10.521   3.869
  208   1HD   LYS  30          2HD       LYS  30   9.858   9.844   2.018
  209   2HD   LYS  30          1HD       LYS  30   9.424  11.317   1.111
  210   1HE   LYS  30          2HE       LYS  30  10.536  11.552   3.986
  211   2HE   LYS  30          1HE       LYS  30  11.663  11.224   2.619
  212   1HZ   LYS  30          1HZ       LYS  30  11.073  13.203   1.565
  213   2HZ   LYS  30          2HZ       LYS  30  11.386  13.595   3.140
  214   3HZ   LYS  30          3HZ       LYS  30   9.781  13.538   2.612
  215    H    TYR  31           H        TYR  31   7.262   8.575  -0.880
  216    HA   TYR  31           HA       TYR  31   4.439   7.909  -1.291
  217   1HB   TYR  31          2HB       TYR  31   7.062   7.287  -2.738
  218   2HB   TYR  31          1HB       TYR  31   5.670   6.189  -2.952
  219    HD1  TYR  31           1HD      TYR  31   6.718   9.733  -3.333
  220    HD2  TYR  31           2HD      TYR  31   3.878   6.721  -4.255
  221    HE1  TYR  31           1HE      TYR  31   5.792  11.157  -5.103
  222    HE2  TYR  31           2HE      TYR  31   2.926   8.142  -6.012
  223    HH   TYR  31           HH       TYR  31   3.153  10.010  -7.192
  224    H    ALA  32           H        ALA  32   3.588   5.884  -0.863
  225    HA   ALA  32           HA       ALA  32   5.359   3.765  -0.235
  226   1HB   ALA  32          1HB       ALA  32   3.326   4.696   1.908
  227   2HB   ALA  32          2HB       ALA  32   5.111   4.791   2.069
  228   3HB   ALA  32          3HB       ALA  32   4.311   3.186   1.999
  229    H    CYS  33           H        CYS  33   4.340   1.729  -0.244
  230    HA   CYS  33           HA       CYS  33   1.430   1.740  -0.571
  231   1HB   CYS  33          2HB       CYS  33   2.684   1.063  -2.723
  232   2HB   CYS  33          1HB       CYS  33   3.285  -0.356  -1.827
  233    H    ASN  34           H        ASN  34   0.368   0.426   0.829
  234    HA   ASN  34           HA       ASN  34   1.971  -1.448   2.442
  235   1HB   ASN  34          2HB       ASN  34  -0.843  -0.346   3.031
  236   2HB   ASN  34          1HB       ASN  34   0.129  -1.441   4.080
  237   1HD2  ASN  34          1HD2      ASN  34  -0.635   1.819   3.412
  238   2HD2  ASN  34          2HD2      ASN  34   0.652   2.564   4.332
  239    H    CYS  35           H        CYS  35   1.146  -3.641   2.628
  240    HA   CYS  35           HA       CYS  35  -0.354  -4.321   0.218
  241   1HB   CYS  35          2HB       CYS  35   1.269  -6.160   2.040
  242   2HB   CYS  35          1HB       CYS  35   0.621  -6.525   0.411
  243    H    VAL  36           H        VAL  36  -1.530  -6.485   0.471
  244    HA   VAL  36           HA       VAL  36  -3.512  -6.327   2.496
  245    HB   VAL  36           HB       VAL  36  -2.880  -8.472   0.455
  246   1HG1  VAL  36          1HG1      VAL  36  -5.373  -8.880   0.557
  247   2HG1  VAL  36          2HG1      VAL  36  -5.476  -7.803   1.993
  248   3HG1  VAL  36          3HG1      VAL  36  -4.522  -9.351   2.046
  249   1HG2  VAL  36          1HG2      VAL  36  -3.142  -6.330  -0.763
  250   2HG2  VAL  36          2HG2      VAL  36  -4.599  -5.918   0.225
  251   3HG2  VAL  36          3HG2      VAL  36  -4.641  -7.286  -0.934
  252    H    VAL  37           H        VAL  37  -3.975  -8.344   3.860
  253    HA   VAL  37           HA       VAL  37  -1.621  -8.995   5.314
  254    HB   VAL  37           HB       VAL  37  -4.414 -10.135   5.569
  255   1HG1  VAL  37          1HG1      VAL  37  -3.595 -10.648   7.919
  256   2HG1  VAL  37          2HG1      VAL  37  -1.949 -10.111   7.448
  257   3HG1  VAL  37          3HG1      VAL  37  -2.686 -11.572   6.682
  258   1HG2  VAL  37          1HG2      VAL  37  -4.452  -7.664   5.848
  259   2HG2  VAL  37          2HG2      VAL  37  -2.993  -7.738   6.906
  260   3HG2  VAL  37          3HG2      VAL  37  -4.553  -8.436   7.460
  261    H    GLY  38           H        GLY  38  -0.208 -10.613   4.917
  262   1HA   GLY  38          2HA       GLY  38   0.488 -12.627   4.319
  263   2HA   GLY  38          1HA       GLY  38  -1.074 -12.989   3.517
  264    H    TYR  39           H        TYR  39   0.539  -9.970   2.755
  265    HA   TYR  39           HA       TYR  39   1.575 -11.154   0.287
  266   1HB   TYR  39          2HB       TYR  39  -0.149  -8.671   0.696
  267   2HB   TYR  39          1HB       TYR  39   1.113  -8.652  -0.595
  268    HD1  TYR  39           1HD      TYR  39  -1.937 -10.406   0.561
  269    HD2  TYR  39           2HD      TYR  39   0.957  -9.944  -2.517
  270    HE1  TYR  39           1HE      TYR  39  -3.320 -11.741  -0.933
  271    HE2  TYR  39           2HE      TYR  39  -0.366 -11.368  -3.989
  272    HH   TYR  39           HH       TYR  39  -2.103 -12.757  -4.127
  273    H    ILE  40           H        ILE  40   3.494 -10.536  -0.387
  274    HA   ILE  40           HA       ILE  40   5.008  -8.638   1.240
  275    HB   ILE  40           HB       ILE  40   6.975 -10.204   1.004
  276   1HG1  ILE  40          2HG1      ILE  40   4.785 -12.280   0.426
  277   2HG1  ILE  40          1HG1      ILE  40   5.763 -11.532  -0.863
  278   1HG2  ILE  40          1HG2      ILE  40   6.322 -11.552   2.960
  279   2HG2  ILE  40          2HG2      ILE  40   4.586 -11.190   2.679
  280   3HG2  ILE  40          3HG2      ILE  40   5.714  -9.864   3.137
  281   1HD1  ILE  40          1HD1      ILE  40   6.785 -13.674  -0.274
  282   2HD1  ILE  40          2HD1      ILE  40   6.893 -13.211   1.466
  283   3HD1  ILE  40          3HD1      ILE  40   7.887 -12.349   0.229
  284    H    GLY  41           H        GLY  41   7.231  -8.348   0.099
  285   1HA   GLY  41          2HA       GLY  41   8.301  -7.757  -1.821
  286   2HA   GLY  41          1HA       GLY  41   6.771  -7.921  -2.761
  287    H    GLU  42           H        GLU  42   8.638  -5.594  -2.631
  288    HA   GLU  42           HA       GLU  42   7.404  -3.660  -0.977
  289   1HB   GLU  42          2HB       GLU  42   8.842  -2.051  -1.998
  290   2HB   GLU  42          1HB       GLU  42   9.755  -3.544  -1.663
  291   1HG   GLU  42          2HG       GLU  42   9.401  -4.185  -4.157
  292   2HG   GLU  42          1HG       GLU  42   8.756  -2.519  -4.402
  293    H    ARG  43           H        ARG  43   6.948  -4.715  -4.278
  294    HA   ARG  43           HA       ARG  43   4.834  -2.768  -4.707
  295   1HB   ARG  43          2HB       ARG  43   4.847  -3.571  -7.019
  296   2HB   ARG  43          1HB       ARG  43   6.433  -2.993  -6.490
  297   1HG   ARG  43          2HG       ARG  43   6.160  -5.904  -6.049
  298   2HG   ARG  43          1HG       ARG  43   5.815  -5.480  -7.729
  299   1HD   ARG  43          2HD       ARG  43   8.387  -4.580  -6.263
  300   2HD   ARG  43          1HD       ARG  43   8.242  -6.077  -7.278
  301    HE   ARG  43           HE       ARG  43   7.298  -4.238  -9.021
  302   1HH1  ARG  43          1HH1      ARG  43  10.444  -4.693  -7.356
  303   2HH1  ARG  43          2HH1      ARG  43  11.292  -3.873  -8.608
  304   1HH2  ARG  43          1HH2      ARG  43   8.529  -3.016 -10.580
  305   2HH2  ARG  43          2HH2      ARG  43  10.244  -2.951 -10.360
  306    H    CYS  44           H        CYS  44   4.757  -5.240  -2.848
  307    HA   CYS  44           HA       CYS  44   3.349  -6.702  -2.157
  308   1HB   CYS  44          2HB       CYS  44   1.289  -4.911  -3.498
  309   2HB   CYS  44          1HB       CYS  44   0.946  -6.093  -2.205
  310    H    GLN  45           H        GLN  45   4.483  -7.833  -4.334
  311    HA   GLN  45           HA       GLN  45   2.395  -8.565  -6.172
  312   1HB   GLN  45          2HB       GLN  45   4.836  -7.832  -6.648
  313   2HB   GLN  45          1HB       GLN  45   5.293  -9.492  -6.195
  314   1HG   GLN  45          2HG       GLN  45   3.575 -10.294  -8.021
  315   2HG   GLN  45          1HG       GLN  45   3.454  -8.552  -8.497
  316   1HE2  GLN  45          1HE2      GLN  45   5.628  -7.453  -8.918
  317   2HE2  GLN  45          2HE2      GLN  45   6.959  -8.389  -9.528
  318    H    TYR  46           H        TYR  46   4.228 -10.234  -3.595
  319    HA   TYR  46           HA       TYR  46   3.246 -12.779  -4.678
  320   1HB   TYR  46          2HB       TYR  46   5.374 -12.671  -2.542
  321   2HB   TYR  46          1HB       TYR  46   5.085 -13.890  -3.811
  322    HD1  TYR  46           1HD      TYR  46   7.101 -11.264  -2.761
  323    HD2  TYR  46           2HD      TYR  46   5.436 -12.950  -6.290
  324    HE1  TYR  46           1HE      TYR  46   8.857 -10.204  -4.086
  325    HE2  TYR  46           2HE      TYR  46   7.196 -11.907  -7.621
  326    HH   TYR  46           HH       TYR  46   9.061 -10.674  -7.593
  327    H    ARG  47           H        ARG  47   2.056 -14.196  -3.394
  328    HA   ARG  47           HA       ARG  47   1.206 -13.160  -0.807
  329   1HB   ARG  47          2HB       ARG  47  -0.469 -13.999  -2.452
  330   2HB   ARG  47          1HB       ARG  47   0.305 -15.601  -2.416
  331   1HG   ARG  47          2HG       ARG  47  -0.223 -15.784   0.027
  332   2HG   ARG  47          1HG       ARG  47  -1.002 -14.177   0.001
  333   1HD   ARG  47          2HD       ARG  47  -1.950 -16.449  -1.851
  334   2HD   ARG  47          1HD       ARG  47  -2.480 -16.378  -0.141
  335    HE   ARG  47           HE       ARG  47  -3.009 -14.213  -2.217
  336   1HH1  ARG  47          1HH1      ARG  47  -3.647 -15.319   1.133
  337   2HH1  ARG  47          2HH1      ARG  47  -5.176 -14.445   1.148
  338   1HH2  ARG  47          1HH2      ARG  47  -5.179 -13.318  -2.096
  339   2HH2  ARG  47          2HH2      ARG  47  -5.921 -13.302  -0.537
  340    H    ASP  48           H        ASP  48   1.974 -13.931   1.043
  341    HA   ASP  48           HA       ASP  48   4.143 -15.838   0.928
  342   1HB   ASP  48          2HB       ASP  48   4.327 -13.523   2.023
  343   2HB   ASP  48          1HB       ASP  48   3.223 -14.125   3.313
  344    H    LEU  49           H        LEU  49   3.422 -17.900   0.980
  345    HA   LEU  49           HA       LEU  49   0.872 -18.436   2.168
  346   1HB   LEU  49          2HB       LEU  49   2.849 -20.114   0.558
  347   2HB   LEU  49          1HB       LEU  49   1.218 -20.680   1.037
  348    HG   LEU  49           HG       LEU  49   1.663 -18.139  -0.624
  349   1HD1  LEU  49          1HD1      LEU  49   1.186 -19.477  -2.635
  350   2HD1  LEU  49          2HD1      LEU  49   1.071 -20.979  -1.642
  351   3HD1  LEU  49          3HD1      LEU  49   2.653 -20.117  -1.798
  352   1HD2  LEU  49          1HD2      LEU  49  -0.578 -18.298   0.487
  353   2HD2  LEU  49          2HD2      LEU  49  -0.798 -19.954  -0.196
  354   3HD2  LEU  49          3HD2      LEU  49  -0.719 -18.537  -1.299
  355    H    LYS  50           H        LYS  50   4.080 -18.758   3.300
  356    HA   LYS  50           HA       LYS  50   4.021 -21.278   4.330
  357   1HB   LYS  50          2HB       LYS  50   5.646 -18.887   5.317
  358   2HB   LYS  50          1HB       LYS  50   5.902 -20.586   5.807
  359   1HG   LYS  50          2HG       LYS  50   7.397 -20.665   4.142
  360   2HG   LYS  50          1HG       LYS  50   5.961 -20.985   3.138
  361   1HD   LYS  50          2HD       LYS  50   7.083 -19.355   1.927
  362   2HD   LYS  50          1HD       LYS  50   5.877 -18.363   2.804
  363   1HE   LYS  50          2HE       LYS  50   7.656 -17.697   4.479
  364   2HE   LYS  50          1HE       LYS  50   8.838 -18.777   3.630
  365   1HZ   LYS  50          1HZ       LYS  50   9.140 -16.563   2.806
  366   2HZ   LYS  50          2HZ       LYS  50   7.468 -16.391   2.530
  367   3HZ   LYS  50          3HZ       LYS  50   8.396 -17.459   1.607
  368    H    TRP  51           H        TRP  51   2.971 -18.324   5.992
  369    HA   TRP  51           HA       TRP  51   2.797 -19.701   8.481
  370   1HB   TRP  51          2HB       TRP  51   1.964 -17.582   9.362
  371   2HB   TRP  51          1HB       TRP  51   3.474 -17.393   8.405
  372    HD1  TRP  51           HD       TRP  51   3.266 -15.892   6.108
  373    HE1  TRP  51           1HE      TRP  51   1.540 -14.144   5.422
  374    HE3  TRP  51           3HE      TRP  51  -0.408 -17.132   9.391
  375    HZ2  TRP  51           2HZ      TRP  51  -1.081 -13.387   6.211
  376    HZ3  TRP  51           3HZ      TRP  51  -2.489 -15.851   9.380
  377    HH2  TRP  51           HH       TRP  51  -2.825 -14.012   7.818
  378    H    TRP  52           H        TRP  52   0.548 -19.111   5.943
  379    HA   TRP  52           HA       TRP  52  -1.820 -19.100   7.331
  380   1HB   TRP  52          2HB       TRP  52  -1.234 -20.140   4.518
  381   2HB   TRP  52          1HB       TRP  52  -2.885 -19.884   5.163
  382    HD1  TRP  52           HD       TRP  52   0.295 -17.693   4.452
  383    HE1  TRP  52           1HE      TRP  52  -0.495 -15.414   3.714
  384    HE3  TRP  52           3HE      TRP  52  -4.679 -18.412   5.125
  385    HZ2  TRP  52           2HZ      TRP  52  -3.013 -14.028   3.518
  386    HZ3  TRP  52           3HZ      TRP  52  -6.223 -16.578   4.653
  387    HH2  TRP  52           HH       TRP  52  -5.405 -14.411   3.889
  388    H    GLU  53           H        GLU  53   0.050 -21.922   6.341
  389    HA   GLU  53           HA       GLU  53  -1.896 -23.570   7.814
  390   1HB   GLU  53          2HB       GLU  53  -1.830 -23.754   5.200
  391   2HB   GLU  53          1HB       GLU  53  -0.286 -24.598   5.453
  392   1HG   GLU  53          2HG       GLU  53  -1.614 -26.183   7.070
  393   2HG   GLU  53          1HG       GLU  53  -3.107 -25.400   6.457
  394    H    LEU  54           H        LEU  54   0.282 -22.344   9.126
  395    HA   LEU  54           HA       LEU  54   1.526 -24.787  10.006
  396   1HB   LEU  54          2HB       LEU  54   2.983 -23.901   8.143
  397   2HB   LEU  54          1HB       LEU  54   3.216 -22.412   9.094
  398    HG   LEU  54           HG       LEU  54   4.258 -23.836  10.927
  399   1HD1  LEU  54          1HD1      LEU  54   5.037 -26.151  10.350
  400   2HD1  LEU  54          2HD1      LEU  54   4.072 -26.096   8.831
  401   3HD1  LEU  54          3HD1      LEU  54   3.245 -26.058  10.434
  402   1HD2  LEU  54          1HD2      LEU  54   5.635 -22.629   9.207
  403   2HD2  LEU  54          2HD2      LEU  54   5.571 -24.089   8.147
  404   3HD2  LEU  54          3HD2      LEU  54   6.416 -24.167   9.737
  Start of MODEL   29
    1   1H    VAL   1          1HT       VAL   1   5.839  17.078   8.483
    2   2H    VAL   1          2HT       VAL   1   6.530  18.159   9.558
    3   3H    VAL   1          3HT       VAL   1   5.136  18.580   8.736
    4    HA   VAL   1           HA       VAL   1   5.320  16.359  10.672
    5    HB   VAL   1           HB       VAL   1   3.949  17.694  12.198
    6   1HG1  VAL   1          1HG1      VAL   1   6.626  19.029  11.438
    7   2HG1  VAL   1          2HG1      VAL   1   6.431  17.541  12.445
    8   3HG1  VAL   1          3HG1      VAL   1   5.767  19.110  13.012
    9   1HG2  VAL   1          1HG2      VAL   1   4.536  20.066  10.304
   10   2HG2  VAL   1          2HG2      VAL   1   3.696  20.112  11.886
   11   3HG2  VAL   1          3HG2      VAL   1   2.924  19.280  10.491
   12    H    VAL   2           H        VAL   2   3.221  15.389  11.316
   13    HA   VAL   2           HA       VAL   2   1.353  15.436   9.101
   14    HB   VAL   2           HB       VAL   2   1.467  13.673  11.571
   15   1HG1  VAL   2          1HG1      VAL   2  -0.206  13.569   8.964
   16   2HG1  VAL   2          2HG1      VAL   2  -0.843  13.838  10.630
   17   3HG1  VAL   2          3HG1      VAL   2  -0.115  12.257  10.191
   18   1HG2  VAL   2          1HG2      VAL   2   2.272  11.938   9.921
   19   2HG2  VAL   2          2HG2      VAL   2   3.458  13.260  10.179
   20   3HG2  VAL   2          3HG2      VAL   2   2.453  13.232   8.682
   21    H    SER   3           H        SER   3  -0.188  17.023   9.237
   22    HA   SER   3           HA       SER   3  -1.334  17.491  11.901
   23   1HB   SER   3          2HB       SER   3  -2.193  19.595  11.183
   24   2HB   SER   3          1HB       SER   3  -0.418  19.529  10.958
   25    HG   SER   3           HG       SER   3  -1.193  20.388   9.160
   26    H    HIS   4           H        HIS   4  -2.150  16.820   8.480
   27    HA   HIS   4           HA       HIS   4  -4.450  15.355   9.533
   28   1HB   HIS   4          2HB       HIS   4  -4.402  17.078   7.009
   29   2HB   HIS   4          1HB       HIS   4  -5.629  15.806   7.297
   30    HD1  HIS   4           1HD      HIS   4  -5.035  17.517  10.442
   31    HD2  HIS   4           2HD      HIS   4  -7.464  17.997   7.071
   32    HE1  HIS   4           1HE      HIS   4  -6.877  19.122  11.095
   33    HE2  HIS   4           2HE      HIS   4  -8.369  19.318   9.059
   34    H    PHE   5           H        PHE   5  -5.130  13.578   8.160
   35    HA   PHE   5           HA       PHE   5  -2.800  12.334   6.927
   36   1HB   PHE   5          2HB       PHE   5  -4.280  11.197   8.709
   37   2HB   PHE   5          1HB       PHE   5  -5.576  11.134   7.483
   38    HD1  PHE   5           1HD      PHE   5  -2.474   9.729   8.676
   39    HD2  PHE   5           2HD      PHE   5  -5.150   9.815   5.381
   40    HE1  PHE   5           1HE      PHE   5  -1.441   7.691   7.787
   41    HE2  PHE   5           2HE      PHE   5  -4.100   7.813   4.467
   42    HZ   PHE   5           HZ       PHE   5  -2.221   6.751   5.655
   43    H    ASN   6           H        ASN   6  -2.664  11.947   4.731
   44    HA   ASN   6           HA       ASN   6  -5.042  12.556   3.098
   45   1HB   ASN   6          2HB       ASN   6  -2.132  13.228   2.428
   46   2HB   ASN   6          1HB       ASN   6  -3.540  13.499   1.356
   47   1HD2  ASN   6          1HD2      ASN   6  -4.841  14.606   4.210
   48   2HD2  ASN   6          2HD2      ASN   6  -4.227  16.241   4.129
   49    H    ASP   7           H        ASP   7  -5.347  11.157   1.325
   50    HA   ASP   7           HA       ASP   7  -3.517   8.880   1.203
   51   1HB   ASP   7          2HB       ASP   7  -6.364   9.351   0.159
   52   2HB   ASP   7          1HB       ASP   7  -5.400   7.866  -0.188
   53    H    CYS   8           H        CYS   8  -3.623   8.076  -1.362
   54    HA   CYS   8           HA       CYS   8  -2.547  10.366  -2.785
   55   1HB   CYS   8          2HB       CYS   8  -1.370   8.916  -4.150
   56   2HB   CYS   8          1HB       CYS   8  -1.246   8.221  -2.520
   57    HA   PRO   9           HA       PRO   9  -6.098  10.015  -5.495
   58   1HB   PRO   9          2HB       PRO   9  -5.198  11.041  -7.892
   59   2HB   PRO   9          1HB       PRO   9  -5.423  12.074  -6.432
   60   1HG   PRO   9          2HG       PRO   9  -2.804  10.767  -7.377
   61   2HG   PRO   9          1HG       PRO   9  -3.094  12.517  -6.986
   62   1HD   PRO   9          2HD       PRO   9  -2.066  10.730  -5.134
   63   2HD   PRO   9          1HD       PRO   9  -3.235  12.036  -4.620
   64    H    LEU  10           H        LEU  10  -6.858   8.783  -7.369
   65    HA   LEU  10           HA       LEU  10  -5.611   6.293  -7.547
   66   1HB   LEU  10          2HB       LEU  10  -7.415   5.904  -9.347
   67   2HB   LEU  10          1HB       LEU  10  -7.862   6.130  -7.641
   68    HG   LEU  10           HG       LEU  10  -8.624   8.412  -8.054
   69   1HD1  LEU  10          1HD1      LEU  10  -7.859   7.925 -11.011
   70   2HD1  LEU  10          2HD1      LEU  10  -7.212   9.221  -9.929
   71   3HD1  LEU  10          3HD1      LEU  10  -8.937   9.240 -10.429
   72   1HD2  LEU  10          1HD2      LEU  10 -10.141   6.446  -8.308
   73   2HD2  LEU  10          2HD2      LEU  10  -9.732   6.352 -10.060
   74   3HD2  LEU  10          3HD2      LEU  10 -10.607   7.792  -9.426
   75    H    SER  11           H        SER  11  -5.119   9.055  -9.383
   76    HA   SER  11           HA       SER  11  -4.441   8.293 -11.848
   77   1HB   SER  11          2HB       SER  11  -2.936  10.331 -10.114
   78   2HB   SER  11          1HB       SER  11  -3.081  10.364 -11.912
   79    HG   SER  11           HG       SER  11  -4.610  11.713 -10.697
   80    H    HIS  12           H        HIS  12  -2.336   8.266 -12.918
   81    HA   HIS  12           HA       HIS  12  -1.707   6.112 -13.346
   82   1HB   HIS  12          2HB       HIS  12   0.715   6.496 -13.847
   83   2HB   HIS  12          1HB       HIS  12  -0.367   7.825 -14.321
   84    HD1  HIS  12           1HD      HIS  12   0.117  10.143 -13.352
   85    HD2  HIS  12           2HD      HIS  12   2.347   7.120 -11.467
   86    HE1  HIS  12           1HE      HIS  12   1.590  11.261 -11.712
   87    HE2  HIS  12           2HE      HIS  12   3.052   9.461 -10.706
   88    H    ASP  13           H        ASP  13  -2.403   4.882 -11.433
   89    HA   ASP  13           HA       ASP  13  -0.223   3.796  -9.923
   90   1HB   ASP  13          2HB       ASP  13  -2.540   4.299  -8.977
   91   2HB   ASP  13          1HB       ASP  13  -3.182   2.956  -9.989
   92    H    GLY  14           H        GLY  14  -0.026   1.334  -9.889
   93   1HA   GLY  14          2HA       GLY  14  -0.836  -0.225 -11.973
   94   2HA   GLY  14          1HA       GLY  14   0.652   0.602 -12.555
   95    H    TYR  15           H        TYR  15   1.896   0.536  -9.842
   96    HA   TYR  15           HA       TYR  15   2.885  -2.171 -10.087
   97   1HB   TYR  15          2HB       TYR  15   4.335  -0.010  -9.977
   98   2HB   TYR  15          1HB       TYR  15   3.937   0.039  -8.230
   99    HD1  TYR  15           1HD      TYR  15   5.540  -1.830 -10.948
  100    HD2  TYR  15           2HD      TYR  15   4.835  -1.697  -6.767
  101    HE1  TYR  15           1HE      TYR  15   7.302  -3.504 -10.604
  102    HE2  TYR  15           2HE      TYR  15   6.569  -3.392  -6.415
  103    HH   TYR  15           HH       TYR  15   7.899  -4.948  -7.482
  104    H    CYS  16           H        CYS  16   1.075  -0.146  -7.793
  105    HA   CYS  16           HA       CYS  16   1.394  -2.139  -5.744
  106   1HB   CYS  16          2HB       CYS  16   1.347   0.465  -5.571
  107   2HB   CYS  16          1HB       CYS  16  -0.423   0.303  -5.613
  108    H    LEU  17           H        LEU  17   0.300  -4.000  -6.046
  109    HA   LEU  17           HA       LEU  17  -2.264  -3.970  -7.347
  110   1HB   LEU  17          2HB       LEU  17  -0.173  -5.998  -6.658
  111   2HB   LEU  17          1HB       LEU  17  -1.849  -6.575  -6.839
  112    HG   LEU  17           HG       LEU  17  -2.021  -5.620  -9.098
  113   1HD1  LEU  17          1HD1      LEU  17  -0.382  -3.758  -9.038
  114   2HD1  LEU  17          2HD1      LEU  17   0.045  -4.927 -10.340
  115   3HD1  LEU  17          3HD1      LEU  17   0.965  -4.931  -8.789
  116   1HD2  LEU  17          1HD2      LEU  17  -1.334  -7.984  -8.703
  117   2HD2  LEU  17          2HD2      LEU  17   0.402  -7.472  -8.651
  118   3HD2  LEU  17          3HD2      LEU  17  -0.542  -7.314 -10.182
  119    H    HIS  18           H        HIS  18  -3.969  -5.298  -6.670
  120    HA   HIS  18           HA       HIS  18  -5.704  -5.595  -5.395
  121   1HB   HIS  18          2HB       HIS  18  -4.512  -7.673  -5.127
  122   2HB   HIS  18          1HB       HIS  18  -3.574  -6.989  -3.765
  123    HD1  HIS  18           1HD      HIS  18  -7.374  -7.350  -4.373
  124    HD2  HIS  18           2HD      HIS  18  -4.431  -8.108  -1.480
  125    HE1  HIS  18           1HE      HIS  18  -8.534  -8.418  -2.419
  126    HE2  HIS  18           2HE      HIS  18  -6.734  -8.771  -0.648
  127    H    ASP  19           H        ASP  19  -5.530  -3.154  -5.052
  128    HA   ASP  19           HA       ASP  19  -6.277  -1.533  -3.880
  129   1HB   ASP  19          2HB       ASP  19  -7.970  -3.428  -3.432
  130   2HB   ASP  19          1HB       ASP  19  -7.275  -3.517  -1.776
  131    H    GLY  20           H        GLY  20  -3.738  -1.530  -3.653
  132   1HA   GLY  20          2HA       GLY  20  -2.691  -1.917  -1.074
  133   2HA   GLY  20          1HA       GLY  20  -1.930  -1.078  -2.465
  134    H    VAL  21           H        VAL  21  -1.588  -0.414   0.301
  135    HA   VAL  21           HA       VAL  21  -3.391   1.719   0.899
  136    HB   VAL  21           HB       VAL  21  -0.985   0.762   2.468
  137   1HG1  VAL  21          1HG1      VAL  21  -3.545   2.355   3.195
  138   2HG1  VAL  21          2HG1      VAL  21  -1.868   3.024   3.156
  139   3HG1  VAL  21          3HG1      VAL  21  -2.314   1.767   4.362
  140   1HG2  VAL  21          1HG2      VAL  21  -3.935  -0.152   2.500
  141   2HG2  VAL  21          2HG2      VAL  21  -2.716  -0.541   3.760
  142   3HG2  VAL  21          3HG2      VAL  21  -2.499  -1.170   2.098
  143    H    CYS  22           H        CYS  22  -2.941   3.121  -0.773
  144    HA   CYS  22           HA       CYS  22  -0.276   4.189  -1.110
  145   1HB   CYS  22          2HB       CYS  22  -1.628   3.331  -2.995
  146   2HB   CYS  22          1HB       CYS  22  -2.915   4.487  -2.614
  147    H    MET  23           H        MET  23   0.409   6.020  -0.155
  148    HA   MET  23           HA       MET  23  -1.590   8.100   0.331
  149   1HB   MET  23          2HB       MET  23  -0.639   8.646   2.477
  150   2HB   MET  23          1HB       MET  23  -1.237   6.967   2.438
  151   1HG   MET  23          2HG       MET  23   1.116   6.138   2.117
  152   2HG   MET  23          1HG       MET  23   1.712   7.818   2.222
  153   1HE   MET  23          1HE       MET  23   3.345   7.230   3.997
  154   2HE   MET  23          2HE       MET  23   2.831   5.511   3.963
  155   3HE   MET  23          3HE       MET  23   2.995   6.366   5.533
  156    H    TYR  24           H        TYR  24  -1.063  10.166   0.083
  157    HA   TYR  24           HA       TYR  24   1.719  10.886  -0.329
  158   1HB   TYR  24          2HB       TYR  24   0.915  10.941  -2.650
  159   2HB   TYR  24          1HB       TYR  24  -0.673  11.607  -2.112
  160    HD1  TYR  24           1HD      TYR  24  -0.840  13.338  -3.433
  161    HD2  TYR  24           2HD      TYR  24   2.702  12.970  -1.095
  162    HE1  TYR  24           1HE      TYR  24  -0.246  15.605  -3.993
  163    HE2  TYR  24           2HE      TYR  24   3.343  15.227  -1.710
  164    HH   TYR  24           HH       TYR  24   1.156  17.435  -3.053
  165    H    ILE  25           H        ILE  25   2.036  12.028   1.599
  166    HA   ILE  25           HA       ILE  25  -0.128  13.793   2.447
  167    HB   ILE  25           HB       ILE  25   0.286  12.300   4.102
  168   1HG1  ILE  25          2HG1      ILE  25   2.179  14.581   4.774
  169   2HG1  ILE  25          1HG1      ILE  25   0.410  14.845   4.547
  170   1HG2  ILE  25          1HG2      ILE  25   2.275  11.115   3.335
  171   2HG2  ILE  25          2HG2      ILE  25   2.609  11.771   4.961
  172   3HG2  ILE  25          3HG2      ILE  25   3.298  12.589   3.516
  173   1HD1  ILE  25          1HD1      ILE  25  -0.126  13.188   6.319
  174   2HD1  ILE  25          2HD1      ILE  25   0.893  14.524   6.970
  175   3HD1  ILE  25          3HD1      ILE  25   1.628  12.906   6.622
  176    H    GLU  26           H        GLU  26   0.054  15.711   1.577
  177    HA   GLU  26           HA       GLU  26   2.330  16.508   0.225
  178   1HB   GLU  26          2HB       GLU  26   0.025  17.027  -0.374
  179   2HB   GLU  26          1HB       GLU  26  -0.128  18.141   1.016
  180   1HG   GLU  26          2HG       GLU  26   1.428  19.724   0.039
  181   2HG   GLU  26          1HG       GLU  26   2.116  18.489  -1.062
  182    H    ALA  27           H        ALA  27   1.368  17.197   3.533
  183    HA   ALA  27           HA       ALA  27   3.142  19.223   4.107
  184   1HB   ALA  27          1HB       ALA  27   2.942  18.345   6.455
  185   2HB   ALA  27          2HB       ALA  27   2.251  16.811   5.823
  186   3HB   ALA  27          3HB       ALA  27   1.350  18.357   5.626
  187    H    LEU  28           H        LEU  28   3.748  15.721   4.005
  188    HA   LEU  28           HA       LEU  28   6.487  16.169   4.851
  189   1HB   LEU  28          2HB       LEU  28   5.134  13.547   4.081
  190   2HB   LEU  28          1HB       LEU  28   6.720  13.746   4.880
  191    HG   LEU  28           HG       LEU  28   3.956  14.382   6.051
  192   1HD1  LEU  28          1HD1      LEU  28   6.115  12.349   6.888
  193   2HD1  LEU  28          2HD1      LEU  28   4.619  11.950   5.957
  194   3HD1  LEU  28          3HD1      LEU  28   4.496  12.570   7.641
  195   1HD2  LEU  28          1HD2      LEU  28   5.189  14.861   8.195
  196   2HD2  LEU  28          2HD2      LEU  28   5.461  16.102   6.910
  197   3HD2  LEU  28          3HD2      LEU  28   6.742  14.865   7.276
  198    H    ASP  29           H        ASP  29   4.671  15.572   1.972
  199    HA   ASP  29           HA       ASP  29   5.065  15.926  -0.086
  200   1HB   ASP  29          2HB       ASP  29   6.454  17.777   0.781
  201   2HB   ASP  29          1HB       ASP  29   7.901  16.728   0.685
  202    H    LYS  30           H        LYS  30   6.056  13.365   1.435
  203    HA   LYS  30           HA       LYS  30   7.064  12.057  -0.995
  204   1HB   LYS  30          2HB       LYS  30   7.527  11.231   1.927
  205   2HB   LYS  30          1HB       LYS  30   8.180  10.404   0.485
  206   1HG   LYS  30          2HG       LYS  30   8.983  13.138   1.597
  207   2HG   LYS  30          1HG       LYS  30   9.934  11.625   1.503
  208   1HD   LYS  30          2HD       LYS  30   9.614  11.787  -1.084
  209   2HD   LYS  30          1HD       LYS  30   9.076  13.474  -0.784
  210   1HE   LYS  30          2HE       LYS  30  11.835  12.250  -0.107
  211   2HE   LYS  30          1HE       LYS  30  11.466  13.400  -1.451
  212   1HZ   LYS  30          1HZ       LYS  30  12.431  14.503   0.421
  213   2HZ   LYS  30          2HZ       LYS  30  11.270  13.925   1.475
  214   3HZ   LYS  30          3HZ       LYS  30  10.851  15.060   0.277
  215    H    TYR  31           H        TYR  31   6.659   9.695  -1.057
  216    HA   TYR  31           HA       TYR  31   3.801   9.323  -0.503
  217   1HB   TYR  31          2HB       TYR  31   5.264   7.950  -2.789
  218   2HB   TYR  31          1HB       TYR  31   3.521   8.335  -2.632
  219    HD1  TYR  31           1HD      TYR  31   5.890   8.808  -4.717
  220    HD2  TYR  31           2HD      TYR  31   3.661  11.254  -2.082
  221    HE1  TYR  31           1HE      TYR  31   6.342  10.756  -6.159
  222    HE2  TYR  31           2HE      TYR  31   4.114  13.213  -3.499
  223    HH   TYR  31           HH       TYR  31   5.503  13.995  -5.065
  224    H    ALA  32           H        ALA  32   3.104   7.028  -0.413
  225    HA   ALA  32           HA       ALA  32   5.088   5.117  -0.877
  226   1HB   ALA  32          1HB       ALA  32   4.915   3.847   1.316
  227   2HB   ALA  32          2HB       ALA  32   3.877   5.173   1.971
  228   3HB   ALA  32          3HB       ALA  32   5.602   5.483   1.583
  229    H    CYS  33           H        CYS  33   4.189   3.001  -1.249
  230    HA   CYS  33           HA       CYS  33   1.337   2.771  -0.656
  231   1HB   CYS  33          2HB       CYS  33   1.731   3.027  -3.158
  232   2HB   CYS  33          1HB       CYS  33   2.616   1.482  -3.110
  233    H    ASN  34           H        ASN  34   1.060   1.256   0.884
  234    HA   ASN  34           HA       ASN  34   3.162  -0.762   1.115
  235   1HB   ASN  34          2HB       ASN  34   2.293   0.924   3.010
  236   2HB   ASN  34          1HB       ASN  34   1.049  -0.333   3.265
  237   1HD2  ASN  34          1HD2      ASN  34   1.742  -1.674   4.989
  238   2HD2  ASN  34          2HD2      ASN  34   3.400  -2.058   5.321
  239    H    CYS  35           H        CYS  35   2.709  -2.952   1.407
  240    HA   CYS  35           HA       CYS  35   0.116  -3.800   0.356
  241   1HB   CYS  35          2HB       CYS  35   2.428  -4.461  -0.711
  242   2HB   CYS  35          1HB       CYS  35   2.595  -5.554   0.690
  243    H    VAL  36           H        VAL  36  -0.550  -6.013   1.336
  244    HA   VAL  36           HA       VAL  36  -0.768  -5.539   4.167
  245    HB   VAL  36           HB       VAL  36  -2.082  -7.592   2.385
  246   1HG1  VAL  36          1HG1      VAL  36  -3.890  -7.509   4.156
  247   2HG1  VAL  36          2HG1      VAL  36  -2.785  -6.572   5.217
  248   3HG1  VAL  36          3HG1      VAL  36  -2.380  -8.272   4.713
  249   1HG2  VAL  36          1HG2      VAL  36  -2.959  -4.748   3.233
  250   2HG2  VAL  36          2HG2      VAL  36  -4.019  -5.968   2.442
  251   3HG2  VAL  36          3HG2      VAL  36  -2.624  -5.310   1.546
  252    H    VAL  37           H        VAL  37  -0.651  -7.422   5.663
  253    HA   VAL  37           HA       VAL  37   1.902  -8.629   5.414
  254    HB   VAL  37           HB       VAL  37   1.193  -7.748   7.497
  255   1HG1  VAL  37          1HG1      VAL  37  -1.295  -8.133   7.313
  256   2HG1  VAL  37          2HG1      VAL  37  -0.606  -8.775   8.839
  257   3HG1  VAL  37          3HG1      VAL  37  -1.022  -9.906   7.511
  258   1HG2  VAL  37          1HG2      VAL  37   1.390 -10.823   7.685
  259   2HG2  VAL  37          2HG2      VAL  37   1.807  -9.611   8.944
  260   3HG2  VAL  37          3HG2      VAL  37   2.787  -9.710   7.437
  261    H    GLY  38           H        GLY  38   2.484 -10.630   4.899
  262   1HA   GLY  38          2HA       GLY  38   2.290 -12.818   4.498
  263   2HA   GLY  38          1HA       GLY  38   0.506 -12.717   4.675
  264    H    TYR  39           H        TYR  39   2.009 -10.432   2.570
  265    HA   TYR  39           HA       TYR  39   1.344 -12.031   0.206
  266   1HB   TYR  39          2HB       TYR  39   0.842  -9.037   0.728
  267   2HB   TYR  39          1HB       TYR  39   0.703  -9.824  -0.876
  268    HD1  TYR  39           1HD      TYR  39  -0.808  -9.577   2.473
  269    HD2  TYR  39           2HD      TYR  39  -1.059 -11.336  -1.381
  270    HE1  TYR  39           1HE      TYR  39  -3.123 -10.188   2.918
  271    HE2  TYR  39           2HE      TYR  39  -3.375 -11.971  -0.944
  272    HH   TYR  39           HH       TYR  39  -5.054 -12.010   0.562
  273    H    ILE  40           H        ILE  40   2.919 -12.125  -1.263
  274    HA   ILE  40           HA       ILE  40   5.312 -10.509  -0.880
  275    HB   ILE  40           HB       ILE  40   6.742 -12.504  -1.111
  276   1HG1  ILE  40          2HG1      ILE  40   4.096 -14.016  -0.660
  277   2HG1  ILE  40          1HG1      ILE  40   5.111 -14.055  -2.149
  278   1HG2  ILE  40          1HG2      ILE  40   6.215 -11.346   1.058
  279   2HG2  ILE  40          2HG2      ILE  40   6.613 -13.087   1.235
  280   3HG2  ILE  40          3HG2      ILE  40   4.901 -12.545   1.346
  281   1HD1  ILE  40          1HD1      ILE  40   5.875 -15.141   0.635
  282   2HD1  ILE  40          2HD1      ILE  40   7.022 -15.014  -0.739
  283   3HD1  ILE  40          3HD1      ILE  40   5.564 -16.078  -0.853
  284    H    GLY  41           H        GLY  41   6.943 -11.416  -2.789
  285   1HA   GLY  41          2HA       GLY  41   7.111 -11.956  -4.994
  286   2HA   GLY  41          1HA       GLY  41   5.365 -11.618  -5.253
  287    H    GLU  42           H        GLU  42   7.116 -10.575  -7.048
  288    HA   GLU  42           HA       GLU  42   8.547  -8.378  -6.387
  289   1HB   GLU  42          2HB       GLU  42   8.781  -9.713  -8.426
  290   2HB   GLU  42          1HB       GLU  42   7.196  -9.142  -9.026
  291   1HG   GLU  42          2HG       GLU  42   8.067  -6.814  -9.218
  292   2HG   GLU  42          1HG       GLU  42   9.626  -7.314  -8.464
  293    H    ARG  43           H        ARG  43   5.285  -8.300  -7.838
  294    HA   ARG  43           HA       ARG  43   4.969  -5.595  -6.706
  295   1HB   ARG  43          2HB       ARG  43   3.236  -5.275  -8.467
  296   2HB   ARG  43          1HB       ARG  43   4.897  -5.463  -9.080
  297   1HG   ARG  43          2HG       ARG  43   4.474  -7.822  -9.720
  298   2HG   ARG  43          1HG       ARG  43   2.800  -7.715  -9.062
  299   1HD   ARG  43          2HD       ARG  43   2.253  -5.938 -10.735
  300   2HD   ARG  43          1HD       ARG  43   3.973  -5.941 -11.315
  301    HE   ARG  43           HE       ARG  43   2.978  -8.638 -11.479
  302   1HH1  ARG  43          1HH1      ARG  43   2.497  -5.431 -13.011
  303   2HH1  ARG  43          2HH1      ARG  43   1.826  -6.101 -14.452
  304   1HH2  ARG  43          1HH2      ARG  43   2.363  -9.482 -13.585
  305   2HH2  ARG  43          2HH2      ARG  43   1.999  -8.360 -14.866
  306    H    CYS  44           H        CYS  44   4.768  -7.865  -5.115
  307    HA   CYS  44           HA       CYS  44   3.539  -8.815  -3.653
  308   1HB   CYS  44          2HB       CYS  44   3.396  -6.260  -3.253
  309   2HB   CYS  44          1HB       CYS  44   1.677  -6.426  -3.684
  310    H    GLN  45           H        GLN  45   2.788  -9.939  -6.049
  311    HA   GLN  45           HA       GLN  45  -0.102 -10.307  -5.720
  312   1HB   GLN  45          2HB       GLN  45  -0.085 -11.313  -7.933
  313   2HB   GLN  45          1HB       GLN  45   0.402  -9.589  -7.871
  314   1HG   GLN  45          2HG       GLN  45   2.841 -10.332  -8.095
  315   2HG   GLN  45          1HG       GLN  45   2.248 -12.013  -8.334
  316   1HE2  GLN  45          1HE2      GLN  45  -0.202 -11.060  -9.851
  317   2HE2  GLN  45          2HE2      GLN  45   0.378 -10.460 -11.383
  318    H    TYR  46           H        TYR  46   2.481 -11.906  -4.401
  319    HA   TYR  46           HA       TYR  46   1.156 -14.507  -4.827
  320   1HB   TYR  46          2HB       TYR  46   3.972 -13.847  -3.856
  321   2HB   TYR  46          1HB       TYR  46   3.292 -15.507  -4.035
  322    HD1  TYR  46           1HD      TYR  46   2.052 -14.227  -6.991
  323    HD2  TYR  46           2HD      TYR  46   5.751 -14.928  -4.990
  324    HE1  TYR  46           1HE      TYR  46   3.163 -14.464  -9.119
  325    HE2  TYR  46           2HE      TYR  46   6.868 -15.149  -7.126
  326    HH   TYR  46           HH       TYR  46   6.628 -15.193  -9.368
  327    H    ARG  47           H        ARG  47   1.141 -15.914  -2.846
  328    HA   ARG  47           HA       ARG  47   0.725 -14.246  -0.462
  329   1HB   ARG  47          2HB       ARG  47  -1.081 -15.844   0.161
  330   2HB   ARG  47          1HB       ARG  47  -1.405 -14.797  -1.244
  331   1HG   ARG  47          2HG       ARG  47  -0.831 -16.679  -2.803
  332   2HG   ARG  47          1HG       ARG  47  -0.609 -17.760  -1.393
  333   1HD   ARG  47          2HD       ARG  47  -3.032 -17.440  -0.779
  334   2HD   ARG  47          1HD       ARG  47  -3.201 -16.244  -2.132
  335    HE   ARG  47           HE       ARG  47  -2.261 -19.083  -2.664
  336   1HH1  ARG  47          1HH1      ARG  47  -5.043 -16.872  -2.900
  337   2HH1  ARG  47          2HH1      ARG  47  -5.691 -17.687  -4.275
  338   1HH2  ARG  47          1HH2      ARG  47  -2.976 -19.893  -4.712
  339   2HH2  ARG  47          2HH2      ARG  47  -4.538 -19.400  -5.275
  340    H    ASP  48           H        ASP  48   1.450 -14.916   1.465
  341    HA   ASP  48           HA       ASP  48   3.488 -16.969   1.342
  342   1HB   ASP  48          2HB       ASP  48   3.916 -14.565   2.039
  343   2HB   ASP  48          1HB       ASP  48   2.863 -14.841   3.469
  344    H    LEU  49           H        LEU  49   2.825 -19.005   1.898
  345    HA   LEU  49           HA       LEU  49   0.595 -19.290   3.714
  346   1HB   LEU  49          2HB       LEU  49   2.016 -21.019   1.716
  347   2HB   LEU  49          1HB       LEU  49   1.184 -21.835   3.062
  348    HG   LEU  49           HG       LEU  49  -0.159 -21.694   1.035
  349   1HD1  LEU  49          1HD1      LEU  49  -1.186 -21.970   3.292
  350   2HD1  LEU  49          2HD1      LEU  49  -2.273 -21.142   2.131
  351   3HD1  LEU  49          3HD1      LEU  49  -1.416 -20.188   3.410
  352   1HD2  LEU  49          1HD2      LEU  49  -1.275 -19.646   0.292
  353   2HD2  LEU  49          2HD2      LEU  49   0.507 -19.434   0.186
  354   3HD2  LEU  49          3HD2      LEU  49  -0.412 -18.661   1.532
  355    H    LYS  50           H        LYS  50   3.926 -19.009   4.210
  356    HA   LYS  50           HA       LYS  50   4.156 -21.034   6.184
  357   1HB   LYS  50          2HB       LYS  50   5.866 -18.659   5.378
  358   2HB   LYS  50          1HB       LYS  50   6.199 -19.560   6.891
  359   1HG   LYS  50          2HG       LYS  50   7.614 -20.515   5.367
  360   2HG   LYS  50          1HG       LYS  50   6.287 -21.705   5.554
  361   1HD   LYS  50          2HD       LYS  50   5.332 -21.002   3.351
  362   2HD   LYS  50          1HD       LYS  50   6.461 -19.612   3.307
  363   1HE   LYS  50          2HE       LYS  50   7.403 -21.208   1.798
  364   2HE   LYS  50          1HE       LYS  50   8.416 -21.245   3.302
  365   1HZ   LYS  50          1HZ       LYS  50   7.128 -23.250   3.980
  366   2HZ   LYS  50          2HZ       LYS  50   7.963 -23.432   2.527
  367   3HZ   LYS  50          3HZ       LYS  50   6.278 -23.168   2.527
  368    H    TRP  51           H        TRP  51   2.833 -17.834   6.186
  369    HA   TRP  51           HA       TRP  51   2.887 -17.494   9.013
  370   1HB   TRP  51          2HB       TRP  51   2.891 -15.531   7.758
  371   2HB   TRP  51          1HB       TRP  51   1.750 -16.182   6.535
  372    HD1  TRP  51           HD       TRP  51   1.374 -15.346  10.340
  373    HE1  TRP  51           1HE      TRP  51  -0.873 -13.996  10.577
  374    HE3  TRP  51           3HE      TRP  51   0.094 -15.033   5.460
  375    HZ2  TRP  51           2HZ      TRP  51  -3.019 -13.316   8.916
  376    HZ3  TRP  51           3HZ      TRP  51  -1.998 -13.910   4.840
  377    HH2  TRP  51           HH       TRP  51  -3.550 -13.121   6.532
  378    H    TRP  52           H        TRP  52   0.717 -19.060   6.726
  379    HA   TRP  52           HA       TRP  52  -1.461 -19.176   8.574
  380   1HB   TRP  52          2HB       TRP  52  -0.904 -20.599   5.921
  381   2HB   TRP  52          1HB       TRP  52  -2.411 -20.828   6.868
  382    HD1  TRP  52           HD       TRP  52  -0.525 -17.818   5.168
  383    HE1  TRP  52           1HE      TRP  52  -2.282 -16.029   4.667
  384    HE3  TRP  52           3HE      TRP  52  -4.630 -20.171   7.023
  385    HZ2  TRP  52           2HZ      TRP  52  -5.085 -15.745   4.824
  386    HZ3  TRP  52           3HZ      TRP  52  -6.797 -19.058   6.864
  387    HH2  TRP  52           HH       TRP  52  -7.027 -16.890   5.786
  388    H    GLU  53           H        GLU  53   0.835 -21.581   7.296
  389    HA   GLU  53           HA       GLU  53   0.102 -23.377   9.493
  390   1HB   GLU  53          2HB       GLU  53   1.649 -24.006   6.938
  391   2HB   GLU  53          1HB       GLU  53   1.091 -25.156   8.195
  392   1HG   GLU  53          2HG       GLU  53  -1.313 -24.406   7.689
  393   2HG   GLU  53          1HG       GLU  53  -0.659 -23.463   6.306
  394    H    LEU  54           H        LEU  54   1.338 -21.617  10.758
  395    HA   LEU  54           HA       LEU  54   4.209 -22.095  10.749
  396   1HB   LEU  54          2HB       LEU  54   2.998 -19.796  10.772
  397   2HB   LEU  54          1HB       LEU  54   2.661 -20.123  12.490
  398    HG   LEU  54           HG       LEU  54   5.460 -20.126  11.204
  399   1HD1  LEU  54          1HD1      LEU  54   5.724 -17.817  12.090
  400   2HD1  LEU  54          2HD1      LEU  54   4.011 -17.837  12.677
  401   3HD1  LEU  54          3HD1      LEU  54   4.369 -17.916  10.915
  402   1HD2  LEU  54          1HD2      LEU  54   5.446 -21.324  13.387
  403   2HD2  LEU  54          2HD2      LEU  54   4.602 -19.937  14.169
  404   3HD2  LEU  54          3HD2      LEU  54   6.292 -19.746  13.549
  Start of MODEL   30
    1   1H    VAL   1          1HT       VAL   1   7.382  17.185   5.963
    2   2H    VAL   1          2HT       VAL   1   8.824  17.977   6.337
    3   3H    VAL   1          3HT       VAL   1   7.693  18.712   5.333
    4    HA   VAL   1           HA       VAL   1   7.838  18.483   8.198
    5    HB   VAL   1           HB       VAL   1   6.563  20.516   8.275
    6   1HG1  VAL   1          1HG1      VAL   1   8.712  20.636   6.061
    7   2HG1  VAL   1          2HG1      VAL   1   9.041  20.561   7.836
    8   3HG1  VAL   1          3HG1      VAL   1   8.163  21.961   7.139
    9   1HG2  VAL   1          1HG2      VAL   1   6.232  20.234   5.211
   10   2HG2  VAL   1          2HG2      VAL   1   5.818  21.664   6.211
   11   3HG2  VAL   1          3HG2      VAL   1   4.919  20.136   6.452
   12    H    VAL   2           H        VAL   2   5.895  18.570   9.681
   13    HA   VAL   2           HA       VAL   2   4.407  16.229   8.957
   14    HB   VAL   2           HB       VAL   2   4.661  17.665  11.604
   15   1HG1  VAL   2          1HG1      VAL   2   2.608  16.235  11.495
   16   2HG1  VAL   2          2HG1      VAL   2   3.869  15.419  12.474
   17   3HG1  VAL   2          3HG1      VAL   2   3.570  14.879  10.790
   18   1HG2  VAL   2          1HG2      VAL   2   6.886  16.852  10.859
   19   2HG2  VAL   2          2HG2      VAL   2   6.175  15.241  10.437
   20   3HG2  VAL   2          3HG2      VAL   2   6.236  15.792  12.149
   21    H    SER   3           H        SER   3   2.615  16.653   7.820
   22    HA   SER   3           HA       SER   3   0.572  18.284   9.098
   23   1HB   SER   3          2HB       SER   3   1.139  18.203   6.092
   24   2HB   SER   3          1HB       SER   3  -0.334  18.915   6.828
   25    HG   SER   3           HG       SER   3   1.501  20.371   6.342
   26    H    HIS   4           H        HIS   4  -1.653  17.548   8.009
   27    HA   HIS   4           HA       HIS   4  -1.600  14.690   8.432
   28   1HB   HIS   4          2HB       HIS   4  -3.917  16.619   7.921
   29   2HB   HIS   4          1HB       HIS   4  -4.093  14.901   8.405
   30    HD1  HIS   4           1HD      HIS   4  -5.103  17.422  10.005
   31    HD2  HIS   4           2HD      HIS   4  -1.647  15.218  10.886
   32    HE1  HIS   4           1HE      HIS   4  -4.630  17.745  12.472
   33    HE2  HIS   4           2HE      HIS   4  -2.559  16.440  12.970
   34    H    PHE   5           H        PHE   5  -2.565  13.167   7.165
   35    HA   PHE   5           HA       PHE   5  -2.403  13.701   4.295
   36   1HB   PHE   5          2HB       PHE   5  -1.306  11.447   4.061
   37   2HB   PHE   5          1HB       PHE   5  -0.338  12.705   4.883
   38    HD1  PHE   5           1HD      PHE   5  -2.342   9.669   5.408
   39    HD2  PHE   5           2HD      PHE   5   0.228  12.544   7.146
   40    HE1  PHE   5           1HE      PHE   5  -2.081   8.221   7.385
   41    HE2  PHE   5           2HE      PHE   5   0.528  11.097   9.122
   42    HZ   PHE   5           HZ       PHE   5  -0.633   8.935   9.236
   43    H    ASN   6           H        ASN   6  -3.415  12.014   2.923
   44    HA   ASN   6           HA       ASN   6  -5.728  10.781   4.223
   45   1HB   ASN   6          2HB       ASN   6  -5.670  12.631   1.780
   46   2HB   ASN   6          1HB       ASN   6  -6.994  11.426   2.002
   47   1HD2  ASN   6          1HD2      ASN   6  -8.144  11.441   4.135
   48   2HD2  ASN   6          2HD2      ASN   6  -8.413  12.977   4.898
   49    H    ASP   7           H        ASP   7  -6.815   9.212   2.863
   50    HA   ASP   7           HA       ASP   7  -4.866   7.342   1.930
   51   1HB   ASP   7          2HB       ASP   7  -7.934   7.206   2.080
   52   2HB   ASP   7          1HB       ASP   7  -6.834   5.802   1.832
   53    H    CYS   8           H        CYS   8  -4.759   6.408  -0.132
   54    HA   CYS   8           HA       CYS   8  -5.326   7.953  -2.316
   55   1HB   CYS   8          2HB       CYS   8  -4.581   5.076  -1.766
   56   2HB   CYS   8          1HB       CYS   8  -5.118   5.430  -3.420
   57    HA   PRO   9           HA       PRO   9  -9.438   6.593  -3.371
   58   1HB   PRO   9          2HB       PRO   9  -9.505   6.947  -6.108
   59   2HB   PRO   9          1HB       PRO   9  -9.398   8.341  -4.972
   60   1HG   PRO   9          2HG       PRO   9  -7.068   6.944  -6.413
   61   2HG   PRO   9          1HG       PRO   9  -7.459   8.718  -6.388
   62   1HD   PRO   9          2HD       PRO   9  -5.650   7.596  -4.614
   63   2HD   PRO   9          1HD       PRO   9  -6.777   8.932  -4.089
   64    H    LEU  10           H        LEU  10 -10.529   4.995  -4.910
   65    HA   LEU  10           HA       LEU  10  -9.498   2.529  -4.364
   66   1HB   LEU  10          2HB       LEU  10 -11.858   3.117  -4.674
   67   2HB   LEU  10          1HB       LEU  10 -11.630   3.322  -6.424
   68    HG   LEU  10           HG       LEU  10 -10.881   0.666  -5.125
   69   1HD1  LEU  10          1HD1      LEU  10 -13.091   1.229  -4.115
   70   2HD1  LEU  10          2HD1      LEU  10 -13.230  -0.137  -5.286
   71   3HD1  LEU  10          3HD1      LEU  10 -13.774   1.512  -5.760
   72   1HD2  LEU  10          1HD2      LEU  10 -12.240   1.385  -7.813
   73   2HD2  LEU  10          2HD2      LEU  10 -11.811  -0.274  -7.266
   74   3HD2  LEU  10          3HD2      LEU  10 -10.511   0.915  -7.607
   75    H    SER  11           H        SER  11  -9.406   4.232  -7.476
   76    HA   SER  11           HA       SER  11  -7.683   2.088  -8.532
   77   1HB   SER  11          2HB       SER  11  -9.029   4.347 -10.094
   78   2HB   SER  11          1HB       SER  11  -8.227   2.882 -10.755
   79    HG   SER  11           HG       SER  11  -9.870   1.665  -9.783
   80    H    HIS  12           H        HIS  12  -5.551   2.572  -8.033
   81    HA   HIS  12           HA       HIS  12  -4.575   5.093  -9.097
   82   1HB   HIS  12          2HB       HIS  12  -5.295   5.448  -6.650
   83   2HB   HIS  12          1HB       HIS  12  -4.015   4.298  -6.191
   84    HD1  HIS  12           1HD      HIS  12  -4.449   7.707  -7.928
   85    HD2  HIS  12           2HD      HIS  12  -1.510   5.507  -5.880
   86    HE1  HIS  12           1HE      HIS  12  -2.540   9.263  -7.499
   87    HE2  HIS  12           2HE      HIS  12  -0.787   7.939  -6.300
   88    H    ASP  13           H        ASP  13  -4.265   2.452 -10.051
   89    HA   ASP  13           HA       ASP  13  -1.926   1.265  -8.962
   90   1HB   ASP  13          2HB       ASP  13  -3.962   0.073  -9.798
   91   2HB   ASP  13          1HB       ASP  13  -3.637   0.676 -11.453
   92    H    GLY  14           H        GLY  14   0.159   1.300  -9.757
   93   1HA   GLY  14          2HA       GLY  14   0.780   1.988 -12.379
   94   2HA   GLY  14          1HA       GLY  14   0.945   3.455 -11.343
   95    H    TYR  15           H        TYR  15   2.516   3.456  -9.647
   96    HA   TYR  15           HA       TYR  15   4.740   1.707 -10.170
   97   1HB   TYR  15          2HB       TYR  15   5.017   4.194  -9.642
   98   2HB   TYR  15          1HB       TYR  15   4.488   3.836  -7.961
   99    HD1  TYR  15           1HD      TYR  15   6.089   2.984  -6.448
  100    HD2  TYR  15           2HD      TYR  15   6.883   2.795 -10.617
  101    HE1  TYR  15           1HE      TYR  15   8.297   2.063  -5.978
  102    HE2  TYR  15           2HE      TYR  15   9.090   1.848 -10.156
  103    HH   TYR  15           HH       TYR  15  10.255   1.318  -6.849
  104    H    CYS  16           H        CYS  16   2.511   2.379  -7.432
  105    HA   CYS  16           HA       CYS  16   3.390  -0.105  -6.192
  106   1HB   CYS  16          2HB       CYS  16   1.225   1.848  -5.291
  107   2HB   CYS  16          1HB       CYS  16   1.882   0.459  -4.361
  108    H    LEU  17           H        LEU  17   2.291  -2.000  -6.251
  109    HA   LEU  17           HA       LEU  17  -0.117  -2.091  -7.906
  110   1HB   LEU  17          2HB       LEU  17   0.943  -3.697  -9.445
  111   2HB   LEU  17          1HB       LEU  17   1.692  -2.087  -9.459
  112    HG   LEU  17           HG       LEU  17   3.345  -3.267  -7.634
  113   1HD1  LEU  17          1HD1      LEU  17   2.525  -5.521  -9.578
  114   2HD1  LEU  17          2HD1      LEU  17   2.252  -5.511  -7.794
  115   3HD1  LEU  17          3HD1      LEU  17   3.935  -5.552  -8.452
  116   1HD2  LEU  17          1HD2      LEU  17   3.606  -3.400 -10.701
  117   2HD2  LEU  17          2HD2      LEU  17   4.957  -3.531  -9.515
  118   3HD2  LEU  17          3HD2      LEU  17   4.032  -1.999  -9.648
  119    H    HIS  18           H        HIS  18  -1.068  -4.241  -7.966
  120    HA   HIS  18           HA       HIS  18  -2.165  -5.703  -6.857
  121   1HB   HIS  18          2HB       HIS  18   0.022  -6.887  -6.978
  122   2HB   HIS  18          1HB       HIS  18   0.360  -6.383  -5.300
  123    HD1  HIS  18           1HD      HIS  18  -0.386  -9.272  -6.852
  124    HD2  HIS  18           2HD      HIS  18  -2.558  -7.295  -3.865
  125    HE1  HIS  18           1HE      HIS  18  -1.636 -11.038  -5.570
  126    HE2  HIS  18           2HE      HIS  18  -3.019  -9.780  -3.838
  127    H    ASP  19           H        ASP  19  -2.918  -3.429  -6.032
  128    HA   ASP  19           HA       ASP  19  -4.115  -2.438  -4.583
  129   1HB   ASP  19          2HB       ASP  19  -5.061  -4.790  -4.785
  130   2HB   ASP  19          1HB       ASP  19  -4.355  -5.144  -3.179
  131    H    GLY  20           H        GLY  20  -1.619  -1.741  -4.007
  132   1HA   GLY  20          2HA       GLY  20  -1.096  -2.133  -1.200
  133   2HA   GLY  20          1HA       GLY  20  -0.184  -1.144  -2.385
  134    H    VAL  21           H        VAL  21  -1.250  -0.611   0.507
  135    HA   VAL  21           HA       VAL  21  -3.242   1.375   0.015
  136    HB   VAL  21           HB       VAL  21  -1.777   0.705   2.574
  137   1HG1  VAL  21          1HG1      VAL  21  -3.807   1.836   3.591
  138   2HG1  VAL  21          2HG1      VAL  21  -4.358   2.309   1.942
  139   3HG1  VAL  21          3HG1      VAL  21  -2.834   2.991   2.620
  140   1HG2  VAL  21          1HG2      VAL  21  -3.011  -1.279   1.738
  141   2HG2  VAL  21          2HG2      VAL  21  -4.462  -0.263   1.392
  142   3HG2  VAL  21          3HG2      VAL  21  -3.926  -0.525   3.088
  143    H    CYS  22           H        CYS  22  -2.466   3.093  -1.147
  144    HA   CYS  22           HA       CYS  22   0.063   4.219  -0.326
  145   1HB   CYS  22          2HB       CYS  22  -0.086   5.677  -2.296
  146   2HB   CYS  22          1HB       CYS  22  -0.015   3.914  -2.574
  147    H    MET  23           H        MET  23   0.477   5.941   0.732
  148    HA   MET  23           HA       MET  23  -1.734   7.789   1.361
  149   1HB   MET  23          2HB       MET  23   0.559   6.896   3.170
  150   2HB   MET  23          1HB       MET  23  -0.677   8.146   3.558
  151   1HG   MET  23          2HG       MET  23  -2.475   6.424   3.341
  152   2HG   MET  23          1HG       MET  23  -1.252   5.171   3.019
  153   1HE   MET  23          1HE       MET  23   0.666   4.594   6.241
  154   2HE   MET  23          2HE       MET  23   1.169   5.722   4.943
  155   3HE   MET  23          3HE       MET  23   0.360   4.173   4.522
  156    H    TYR  24           H        TYR  24  -1.382   9.453   0.126
  157    HA   TYR  24           HA       TYR  24   1.222  10.602  -0.316
  158   1HB   TYR  24          2HB       TYR  24  -0.396  10.592  -2.169
  159   2HB   TYR  24          1HB       TYR  24  -1.657  11.329  -1.109
  160    HD1  TYR  24           1HD      TYR  24   1.844  12.123  -2.285
  161    HD2  TYR  24           2HD      TYR  24  -2.134  13.424  -1.523
  162    HE1  TYR  24           1HE      TYR  24   2.362  14.280  -3.265
  163    HE2  TYR  24           2HE      TYR  24  -1.643  15.568  -2.492
  164    HH   TYR  24           HH       TYR  24   1.635  16.415  -3.673
  165    H    ILE  25           H        ILE  25   2.185  12.210   0.863
  166    HA   ILE  25           HA       ILE  25   0.519  13.719   2.713
  167    HB   ILE  25           HB       ILE  25   1.862  12.387   3.982
  168   1HG1  ILE  25          2HG1      ILE  25   3.540  14.896   3.686
  169   2HG1  ILE  25          1HG1      ILE  25   1.830  14.985   4.248
  170   1HG2  ILE  25          1HG2      ILE  25   4.354  12.194   3.673
  171   2HG2  ILE  25          2HG2      ILE  25   4.209  13.025   2.085
  172   3HG2  ILE  25          3HG2      ILE  25   3.423  11.427   2.356
  173   1HD1  ILE  25          1HD1      ILE  25   3.403  14.896   6.205
  174   2HD1  ILE  25          2HD1      ILE  25   4.015  13.292   5.643
  175   3HD1  ILE  25          3HD1      ILE  25   2.294  13.481   6.155
  176    H    GLU  26           H        GLU  26  -0.006  15.508   1.648
  177    HA   GLU  26           HA       GLU  26   1.289  16.465  -0.561
  178   1HB   GLU  26          2HB       GLU  26  -1.085  16.821   0.035
  179   2HB   GLU  26          1HB       GLU  26  -0.588  17.920   1.354
  180   1HG   GLU  26          2HG       GLU  26   0.390  19.511  -0.331
  181   2HG   GLU  26          1HG       GLU  26  -0.039  18.375  -1.663
  182    H    ALA  27           H        ALA  27   1.782  17.350   2.793
  183    HA   ALA  27           HA       ALA  27   3.242  19.630   2.588
  184   1HB   ALA  27          1HB       ALA  27   2.489  18.546   4.694
  185   2HB   ALA  27          2HB       ALA  27   4.250  18.889   4.776
  186   3HB   ALA  27          3HB       ALA  27   3.683  17.207   4.464
  187    H    LEU  28           H        LEU  28   4.429  16.323   2.237
  188    HA   LEU  28           HA       LEU  28   7.137  17.285   1.650
  189   1HB   LEU  28          2HB       LEU  28   5.896  14.597   2.356
  190   2HB   LEU  28          1HB       LEU  28   7.577  14.716   1.746
  191    HG   LEU  28           HG       LEU  28   6.885  16.618   3.962
  192   1HD1  LEU  28          1HD1      LEU  28   7.181  14.862   5.739
  193   2HD1  LEU  28          2HD1      LEU  28   7.021  13.586   4.475
  194   3HD1  LEU  28          3HD1      LEU  28   5.647  14.719   4.808
  195   1HD2  LEU  28          1HD2      LEU  28   9.189  16.459   3.005
  196   2HD2  LEU  28          2HD2      LEU  28   9.246  14.706   3.426
  197   3HD2  LEU  28          3HD2      LEU  28   9.184  15.937   4.735
  198    H    ASP  29           H        ASP  29   4.286  16.006   0.178
  199    HA   ASP  29           HA       ASP  29   3.601  15.824  -1.802
  200   1HB   ASP  29          2HB       ASP  29   4.830  17.945  -2.159
  201   2HB   ASP  29          1HB       ASP  29   6.224  17.012  -2.803
  202    H    LYS  30           H        LYS  30   5.515  13.833  -0.462
  203    HA   LYS  30           HA       LYS  30   5.677  12.021  -2.776
  204   1HB   LYS  30          2HB       LYS  30   7.153  11.820  -0.106
  205   2HB   LYS  30          1HB       LYS  30   7.321  10.710  -1.499
  206   1HG   LYS  30          2HG       LYS  30   8.212  13.636  -1.340
  207   2HG   LYS  30          1HG       LYS  30   9.224  12.166  -1.454
  208   1HD   LYS  30          2HD       LYS  30   8.146  11.706  -3.736
  209   2HD   LYS  30          1HD       LYS  30   7.310  13.283  -3.580
  210   1HE   LYS  30          2HE       LYS  30   9.657  14.383  -3.349
  211   2HE   LYS  30          1HE       LYS  30  10.331  12.794  -3.900
  212   1HZ   LYS  30          1HZ       LYS  30  10.009  14.110  -5.791
  213   2HZ   LYS  30          2HZ       LYS  30   8.496  14.646  -5.319
  214   3HZ   LYS  30          3HZ       LYS  30   8.674  13.047  -5.824
  215    H    TYR  31           H        TYR  31   5.494   9.646  -2.023
  216    HA   TYR  31           HA       TYR  31   3.364   9.396  -0.074
  217   1HB   TYR  31          2HB       TYR  31   1.851   8.170  -1.455
  218   2HB   TYR  31          1HB       TYR  31   2.156   9.769  -2.193
  219    HD1  TYR  31           1HD      TYR  31   3.933   9.888  -4.027
  220    HD2  TYR  31           2HD      TYR  31   2.094   6.309  -2.729
  221    HE1  TYR  31           1HE      TYR  31   4.412   8.866  -6.214
  222    HE2  TYR  31           2HE      TYR  31   2.487   5.288  -4.918
  223    HH   TYR  31           HH       TYR  31   3.142   5.678  -7.061
  224    H    ALA  32           H        ALA  32   3.039   7.242   0.701
  225    HA   ALA  32           HA       ALA  32   5.196   5.381  -0.025
  226   1HB   ALA  32          1HB       ALA  32   5.287   4.644   2.359
  227   2HB   ALA  32          2HB       ALA  32   4.084   5.917   2.795
  228   3HB   ALA  32          3HB       ALA  32   5.730   6.376   2.220
  229    H    CYS  33           H        CYS  33   4.591   3.225  -0.092
  230    HA   CYS  33           HA       CYS  33   1.689   2.755  -0.024
  231   1HB   CYS  33          2HB       CYS  33   3.902   1.435  -1.662
  232   2HB   CYS  33          1HB       CYS  33   2.163   0.982  -1.719
  233    H    ASN  34           H        ASN  34   1.183   1.819   1.856
  234    HA   ASN  34           HA       ASN  34   3.107   0.108   3.156
  235   1HB   ASN  34          2HB       ASN  34   0.372   1.192   3.960
  236   2HB   ASN  34          1HB       ASN  34   1.200  -0.100   4.907
  237   1HD2  ASN  34          1HD2      ASN  34   1.378   1.270   6.739
  238   2HD2  ASN  34          2HD2      ASN  34   2.524   2.576   6.785
  239    H    CYS  35           H        CYS  35   2.982  -1.992   3.590
  240    HA   CYS  35           HA       CYS  35   1.303  -3.501   1.747
  241   1HB   CYS  35          2HB       CYS  35   3.859  -4.328   3.203
  242   2HB   CYS  35          1HB       CYS  35   2.976  -5.262   1.954
  243    H    VAL  36           H        VAL  36   0.100  -5.265   2.370
  244    HA   VAL  36           HA       VAL  36  -0.653  -5.414   5.118
  245    HB   VAL  36           HB       VAL  36  -2.133  -7.301   4.173
  246   1HG1  VAL  36          1HG1      VAL  36  -3.715  -5.586   3.292
  247   2HG1  VAL  36          2HG1      VAL  36  -2.391  -4.371   3.249
  248   3HG1  VAL  36          3HG1      VAL  36  -2.933  -5.048   4.825
  249   1HG2  VAL  36          1HG2      VAL  36  -0.696  -7.541   2.030
  250   2HG2  VAL  36          2HG2      VAL  36  -1.370  -5.946   1.504
  251   3HG2  VAL  36          3HG2      VAL  36  -2.466  -7.332   1.785
  252    H    VAL  37           H        VAL  37  -0.905  -7.519   6.206
  253    HA   VAL  37           HA       VAL  37   1.677  -8.661   6.391
  254    HB   VAL  37           HB       VAL  37  -0.891  -9.254   7.864
  255   1HG1  VAL  37          1HG1      VAL  37   2.047  -9.980   8.492
  256   2HG1  VAL  37          2HG1      VAL  37   0.732 -11.158   8.084
  257   3HG1  VAL  37          3HG1      VAL  37   0.651 -10.200   9.602
  258   1HG2  VAL  37          1HG2      VAL  37  -0.175  -6.877   8.154
  259   2HG2  VAL  37          2HG2      VAL  37   1.514  -7.423   8.499
  260   3HG2  VAL  37          3HG2      VAL  37   0.184  -7.822   9.635
  261    H    GLY  38           H        GLY  38   2.422 -10.399   5.415
  262   1HA   GLY  38          2HA       GLY  38   2.391 -12.620   4.883
  263   2HA   GLY  38          1HA       GLY  38   0.611 -12.585   4.716
  264    H    TYR  39           H        TYR  39   2.422 -10.042   3.260
  265    HA   TYR  39           HA       TYR  39   2.411 -11.367   0.650
  266   1HB   TYR  39          2HB       TYR  39   1.375  -8.563   1.388
  267   2HB   TYR  39          1HB       TYR  39   1.923  -8.971  -0.286
  268    HD1  TYR  39           1HD      TYR  39   0.671 -10.324  -1.694
  269    HD2  TYR  39           2HD      TYR  39  -0.534  -9.864   2.348
  270    HE1  TYR  39           1HE      TYR  39  -1.441 -11.463  -2.198
  271    HE2  TYR  39           2HE      TYR  39  -2.623 -11.022   1.871
  272    HH   TYR  39           HH       TYR  39  -3.890 -12.013   0.315
  273    H    ILE  40           H        ILE  40   4.274 -11.212  -0.407
  274    HA   ILE  40           HA       ILE  40   6.339  -9.463   0.705
  275    HB   ILE  40           HB       ILE  40   7.976 -11.307   0.574
  276   1HG1  ILE  40          2HG1      ILE  40   5.513 -13.140   0.427
  277   2HG1  ILE  40          1HG1      ILE  40   6.539 -12.760  -1.001
  278   1HG2  ILE  40          1HG2      ILE  40   6.884 -10.481   2.683
  279   2HG2  ILE  40          2HG2      ILE  40   7.430 -12.198   2.721
  280   3HG2  ILE  40          3HG2      ILE  40   5.677 -11.813   2.522
  281   1HD1  ILE  40          1HD1      ILE  40   8.558 -13.663   0.244
  282   2HD1  ILE  40          2HD1      ILE  40   7.273 -14.886  -0.039
  283   3HD1  ILE  40          3HD1      ILE  40   7.462 -14.162   1.590
  284    H    GLY  41           H        GLY  41   8.431 -10.461  -0.920
  285   1HA   GLY  41          2HA       GLY  41   9.199 -10.187  -3.013
  286   2HA   GLY  41          1HA       GLY  41   7.550  -9.750  -3.598
  287    H    GLU  42           H        GLU  42   9.826  -8.354  -4.387
  288    HA   GLU  42           HA       GLU  42  10.667  -6.307  -2.866
  289   1HB   GLU  42          2HB       GLU  42  11.229  -5.243  -5.118
  290   2HB   GLU  42          1HB       GLU  42  11.897  -6.846  -4.777
  291   1HG   GLU  42          2HG       GLU  42   9.224  -6.791  -6.241
  292   2HG   GLU  42          1HG       GLU  42  10.667  -6.185  -7.111
  293    H    ARG  43           H        ARG  43   7.767  -6.160  -4.965
  294    HA   ARG  43           HA       ARG  43   7.151  -3.645  -3.540
  295   1HB   ARG  43          2HB       ARG  43   5.900  -2.875  -5.425
  296   2HB   ARG  43          1HB       ARG  43   7.603  -3.153  -5.840
  297   1HG   ARG  43          2HG       ARG  43   5.781  -5.488  -6.380
  298   2HG   ARG  43          1HG       ARG  43   5.393  -4.009  -7.287
  299   1HD   ARG  43          2HD       ARG  43   8.216  -5.262  -7.306
  300   2HD   ARG  43          1HD       ARG  43   6.911  -5.600  -8.528
  301    HE   ARG  43           HE       ARG  43   7.314  -2.715  -8.200
  302   1HH1  ARG  43          1HH1      ARG  43   8.913  -5.562  -9.747
  303   2HH1  ARG  43          2HH1      ARG  43   9.528  -4.567 -11.024
  304   1HH2  ARG  43          1HH2      ARG  43   8.075  -1.581  -9.836
  305   2HH2  ARG  43          2HH2      ARG  43   9.042  -2.274 -11.131
  306    H    CYS  44           H        CYS  44   6.553  -6.303  -2.516
  307    HA   CYS  44           HA       CYS  44   4.961  -7.318  -1.491
  308   1HB   CYS  44          2HB       CYS  44   3.492  -4.665  -1.637
  309   2HB   CYS  44          1HB       CYS  44   3.133  -5.999  -0.504
  310    H    GLN  45           H        GLN  45   4.879  -8.055  -4.030
  311    HA   GLN  45           HA       GLN  45   2.058  -8.081  -4.844
  312   1HB   GLN  45          2HB       GLN  45   3.071  -8.842  -7.057
  313   2HB   GLN  45          1HB       GLN  45   3.404  -7.155  -6.541
  314   1HG   GLN  45          2HG       GLN  45   5.667  -7.778  -5.735
  315   2HG   GLN  45          1HG       GLN  45   5.362  -9.498  -6.122
  316   1HE2  GLN  45          1HE2      GLN  45   3.935  -8.438  -8.805
  317   2HE2  GLN  45          2HE2      GLN  45   5.327  -8.082  -9.789
  318    H    TYR  46           H        TYR  46   4.481 -10.276  -3.539
  319    HA   TYR  46           HA       TYR  46   3.146 -12.535  -4.816
  320   1HB   TYR  46          2HB       TYR  46   5.492 -12.624  -2.891
  321   2HB   TYR  46          1HB       TYR  46   4.923 -13.933  -3.981
  322    HD1  TYR  46           1HD      TYR  46   7.642 -12.676  -3.539
  323    HD2  TYR  46           2HD      TYR  46   4.682 -12.101  -6.541
  324    HE1  TYR  46           1HE      TYR  46   9.346 -11.792  -5.051
  325    HE2  TYR  46           2HE      TYR  46   6.388 -11.267  -8.058
  326    HH   TYR  46           HH       TYR  46   9.491 -10.299  -6.877
  327    H    ARG  47           H        ARG  47   2.000 -14.107  -3.599
  328    HA   ARG  47           HA       ARG  47   1.202 -13.145  -0.938
  329   1HB   ARG  47          2HB       ARG  47  -0.586 -13.578  -2.587
  330   2HB   ARG  47          1HB       ARG  47   0.030 -15.234  -2.838
  331   1HG   ARG  47          2HG       ARG  47  -0.466 -15.779  -0.446
  332   2HG   ARG  47          1HG       ARG  47  -1.135 -14.132  -0.207
  333   1HD   ARG  47          2HD       ARG  47  -2.979 -14.635  -1.807
  334   2HD   ARG  47          1HD       ARG  47  -2.184 -16.215  -2.237
  335    HE   ARG  47           HE       ARG  47  -2.600 -15.953   0.660
  336   1HH1  ARG  47          1HH1      ARG  47  -4.270 -16.997  -2.375
  337   2HH1  ARG  47          2HH1      ARG  47  -5.264 -18.112  -1.515
  338   1HH2  ARG  47          1HH2      ARG  47  -3.966 -17.413   1.692
  339   2HH2  ARG  47          2HH2      ARG  47  -5.056 -18.385   0.719
  340    H    ASP  48           H        ASP  48   1.782 -14.254   0.915
  341    HA   ASP  48           HA       ASP  48   3.113 -16.813   0.554
  342   1HB   ASP  48          2HB       ASP  48   2.810 -14.838   2.851
  343   2HB   ASP  48          1HB       ASP  48   3.023 -16.586   3.243
  344    H    LEU  49           H        LEU  49   2.229 -18.624   0.638
  345    HA   LEU  49           HA       LEU  49  -0.639 -18.760   1.033
  346   1HB   LEU  49          2HB       LEU  49   0.506 -19.587  -1.049
  347   2HB   LEU  49          1HB       LEU  49   1.396 -20.779  -0.071
  348    HG   LEU  49           HG       LEU  49  -0.787 -21.865   0.552
  349   1HD1  LEU  49          1HD1      LEU  49  -2.852 -21.269  -0.743
  350   2HD1  LEU  49          2HD1      LEU  49  -2.017 -19.817  -1.412
  351   3HD1  LEU  49          3HD1      LEU  49  -2.360 -19.939   0.358
  352   1HD2  LEU  49          1HD2      LEU  49  -0.316 -21.528  -2.473
  353   2HD2  LEU  49          2HD2      LEU  49  -1.221 -22.872  -1.678
  354   3HD2  LEU  49          3HD2      LEU  49   0.547 -22.674  -1.382
  355    H    LYS  50           H        LYS  50   2.346 -19.953   2.480
  356    HA   LYS  50           HA       LYS  50   1.259 -22.285   3.429
  357   1HB   LYS  50          2HB       LYS  50   3.745 -20.799   4.403
  358   2HB   LYS  50          1HB       LYS  50   3.387 -22.534   4.705
  359   1HG   LYS  50          2HG       LYS  50   3.821 -21.307   1.925
  360   2HG   LYS  50          1HG       LYS  50   5.030 -22.162   2.907
  361   1HD   LYS  50          2HD       LYS  50   2.704 -23.899   2.798
  362   2HD   LYS  50          1HD       LYS  50   2.903 -23.207   1.169
  363   1HE   LYS  50          2HE       LYS  50   4.194 -25.257   1.218
  364   2HE   LYS  50          1HE       LYS  50   5.395 -23.891   1.280
  365   1HZ   LYS  50          1HZ       LYS  50   5.810 -25.717   2.868
  366   2HZ   LYS  50          2HZ       LYS  50   4.352 -25.398   3.628
  367   3HZ   LYS  50          3HZ       LYS  50   5.592 -24.244   3.664
  368    H    TRP  51           H        TRP  51   1.182 -19.199   5.101
  369    HA   TRP  51           HA       TRP  51   1.009 -20.414   7.663
  370   1HB   TRP  51          2HB       TRP  51   0.520 -18.105   8.456
  371   2HB   TRP  51          1HB       TRP  51   2.025 -18.280   7.504
  372    HD1  TRP  51           HD       TRP  51   2.183 -16.959   5.181
  373    HE1  TRP  51           1HE      TRP  51   0.739 -15.102   4.126
  374    HE3  TRP  51           3HE      TRP  51  -1.798 -17.186   8.315
  375    HZ2  TRP  51           2HZ      TRP  51  -1.613 -13.697   4.795
  376    HZ3  TRP  51           3HZ      TRP  51  -3.601 -15.559   8.062
  377    HH2  TRP  51           HH       TRP  51  -3.524 -13.846   6.331
  378    H    TRP  52           H        TRP  52  -1.349 -19.508   5.307
  379    HA   TRP  52           HA       TRP  52  -3.564 -19.207   6.975
  380   1HB   TRP  52          2HB       TRP  52  -3.522 -20.210   4.084
  381   2HB   TRP  52          1HB       TRP  52  -4.941 -19.571   4.955
  382    HD1  TRP  52           HD       TRP  52  -1.442 -18.249   3.688
  383    HE1  TRP  52           1HE      TRP  52  -1.774 -15.894   2.930
  384    HE3  TRP  52           3HE      TRP  52  -6.298 -17.676   5.072
  385    HZ2  TRP  52           2HZ      TRP  52  -3.977 -14.067   2.583
  386    HZ3  TRP  52           3HZ      TRP  52  -7.450 -15.599   4.489
  387    HH2  TRP  52           HH       TRP  52  -6.314 -13.826   3.267
  388    H    GLU  53           H        GLU  53  -2.697 -22.035   4.971
  389    HA   GLU  53           HA       GLU  53  -4.472 -23.694   6.602
  390   1HB   GLU  53          2HB       GLU  53  -4.791 -23.305   4.049
  391   2HB   GLU  53          1HB       GLU  53  -3.356 -24.318   3.839
  392   1HG   GLU  53          2HG       GLU  53  -5.157 -25.847   3.608
  393   2HG   GLU  53          1HG       GLU  53  -4.672 -26.104   5.318
  394    H    LEU  54           H        LEU  54  -2.662 -23.635   8.214
  395    HA   LEU  54           HA       LEU  54  -1.187 -26.086   7.816
  396   1HB   LEU  54          2HB       LEU  54   0.434 -24.273   7.195
  397   2HB   LEU  54          1HB       LEU  54   0.164 -23.511   8.777
  398    HG   LEU  54           HG       LEU  54   1.116 -25.540   9.908
  399   1HD1  LEU  54          1HD1      LEU  54   0.608 -27.324   8.248
  400   2HD1  LEU  54          2HD1      LEU  54   2.380 -27.230   8.529
  401   3HD1  LEU  54          3HD1      LEU  54   1.673 -26.518   7.029
  402   1HD2  LEU  54          1HD2      LEU  54   3.478 -25.121   9.230
  403   2HD2  LEU  54          2HD2      LEU  54   2.549 -23.579   9.318
  404   3HD2  LEU  54          3HD2      LEU  54   2.911 -24.316   7.716
  Start of MODEL   31
    1   1H    VAL   1          1HT       VAL   1   6.645  20.944   3.314
    2   2H    VAL   1          2HT       VAL   1   6.494  22.035   4.566
    3   3H    VAL   1          3HT       VAL   1   6.262  22.558   2.989
    4    HA   VAL   1           HA       VAL   1   4.145  22.400   3.705
    5    HB   VAL   1           HB       VAL   1   4.603  19.593   2.656
    6   1HG1  VAL   1          1HG1      VAL   1   2.413  20.010   1.517
    7   2HG1  VAL   1          2HG1      VAL   1   2.240  21.572   2.386
    8   3HG1  VAL   1          3HG1      VAL   1   2.232  19.996   3.288
    9   1HG2  VAL   1          1HG2      VAL   1   4.338  20.646   0.394
   10   2HG2  VAL   1          2HG2      VAL   1   5.869  21.137   1.173
   11   3HG2  VAL   1          3HG2      VAL   1   4.461  22.276   1.135
   12    H    VAL   2           H        VAL   2   2.355  21.335   4.996
   13    HA   VAL   2           HA       VAL   2   3.541  20.636   7.516
   14    HB   VAL   2           HB       VAL   2   0.745  21.459   6.745
   15   1HG1  VAL   2          1HG1      VAL   2   2.045  20.990   9.518
   16   2HG1  VAL   2          2HG1      VAL   2   0.627  20.095   8.840
   17   3HG1  VAL   2          3HG1      VAL   2   0.492  21.835   9.236
   18   1HG2  VAL   2          1HG2      VAL   2   3.096  22.920   8.136
   19   2HG2  VAL   2          2HG2      VAL   2   1.439  23.570   7.903
   20   3HG2  VAL   2          3HG2      VAL   2   2.481  23.269   6.476
   21    H    SER   3           H        SER   3   3.075  18.864   8.754
   22    HA   SER   3           HA       SER   3   2.679  16.498   7.283
   23   1HB   SER   3          2HB       SER   3   2.938  16.958  10.310
   24   2HB   SER   3          1HB       SER   3   3.088  15.375   9.471
   25    HG   SER   3           HG       SER   3   5.029  16.303   9.950
   26    H    HIS   4           H        HIS   4   0.476  16.426   6.563
   27    HA   HIS   4           HA       HIS   4  -1.222  15.365   8.705
   28   1HB   HIS   4          2HB       HIS   4  -2.198  16.975   6.295
   29   2HB   HIS   4          1HB       HIS   4  -3.251  16.072   7.434
   30    HD1  HIS   4           1HD      HIS   4  -1.829  19.361   6.956
   31    HD2  HIS   4           2HD      HIS   4  -3.136  17.079  10.222
   32    HE1  HIS   4           1HE      HIS   4  -2.232  20.966   8.856
   33    HE2  HIS   4           2HE      HIS   4  -3.023  19.581  10.794
   34    H    PHE   5           H        PHE   5  -2.608  13.685   8.101
   35    HA   PHE   5           HA       PHE   5  -1.510  11.999   5.989
   36   1HB   PHE   5          2HB       PHE   5  -1.588  11.227   8.425
   37   2HB   PHE   5          1HB       PHE   5  -3.369  11.359   8.365
   38    HD1  PHE   5           1HD      PHE   5  -0.429   9.473   7.330
   39    HD2  PHE   5           2HD      PHE   5  -4.651   9.771   7.032
   40    HE1  PHE   5           1HE      PHE   5  -0.530   7.158   6.541
   41    HE2  PHE   5           2HE      PHE   5  -4.762   7.458   6.233
   42    HZ   PHE   5           HZ       PHE   5  -2.702   6.143   5.985
   43    H    ASN   6           H        ASN   6  -2.832  11.382   4.250
   44    HA   ASN   6           HA       ASN   6  -5.620  12.287   4.309
   45   1HB   ASN   6          2HB       ASN   6  -3.490  12.987   2.216
   46   2HB   ASN   6          1HB       ASN   6  -5.251  13.294   1.984
   47   1HD2  ASN   6          1HD2      ASN   6  -2.338  14.315   3.765
   48   2HD2  ASN   6          2HD2      ASN   6  -2.957  15.927   4.021
   49    H    ASP   7           H        ASP   7  -6.642  11.694   2.066
   50    HA   ASP   7           HA       ASP   7  -6.198   8.901   1.623
   51   1HB   ASP   7          2HB       ASP   7  -8.327   9.121   0.303
   52   2HB   ASP   7          1HB       ASP   7  -8.467   9.606   2.021
   53    H    CYS   8           H        CYS   8  -6.337   8.085  -0.645
   54    HA   CYS   8           HA       CYS   8  -4.105   9.249  -1.956
   55   1HB   CYS   8          2HB       CYS   8  -5.821   6.852  -2.764
   56   2HB   CYS   8          1HB       CYS   8  -4.178   7.216  -3.379
   57    HA   PRO   9           HA       PRO   9  -6.250  11.176  -5.246
   58   1HB   PRO   9          2HB       PRO   9  -4.572   9.409  -7.128
   59   2HB   PRO   9          1HB       PRO   9  -4.952  11.173  -7.324
   60   1HG   PRO   9          2HG       PRO   9  -2.534  10.463  -6.283
   61   2HG   PRO   9          1HG       PRO   9  -3.507  11.739  -5.428
   62   1HD   PRO   9          2HD       PRO   9  -3.301   8.756  -4.735
   63   2HD   PRO   9          1HD       PRO   9  -3.221  10.216  -3.635
   64    H    LEU  10           H        LEU  10  -7.522  10.859  -7.366
   65    HA   LEU  10           HA       LEU  10  -9.614   9.282  -6.655
   66   1HB   LEU  10          2HB       LEU  10  -8.991  10.351  -9.453
   67   2HB   LEU  10          1HB       LEU  10 -10.604   9.900  -8.820
   68    HG   LEU  10           HG       LEU  10  -8.848  12.241  -7.890
   69   1HD1  LEU  10          1HD1      LEU  10 -10.648  13.639  -8.858
   70   2HD1  LEU  10          2HD1      LEU  10 -11.562  12.168  -9.350
   71   3HD1  LEU  10          3HD1      LEU  10  -9.969  12.530 -10.112
   72   1HD2  LEU  10          1HD2      LEU  10 -11.631  11.361  -6.878
   73   2HD2  LEU  10          2HD2      LEU  10 -10.816  12.921  -6.492
   74   3HD2  LEU  10          3HD2      LEU  10 -10.105  11.374  -5.913
   75    H    SER  11           H        SER  11  -7.029   8.460  -8.902
   76    HA   SER  11           HA       SER  11  -8.143   5.751  -9.093
   77   1HB   SER  11          2HB       SER  11  -6.445   5.485 -11.009
   78   2HB   SER  11          1HB       SER  11  -7.894   6.487 -11.295
   79    HG   SER  11           HG       SER  11  -5.235   7.287 -11.068
   80    H    HIS  12           H        HIS  12  -6.910   4.025  -8.514
   81    HA   HIS  12           HA       HIS  12  -4.778   4.437  -6.693
   82   1HB   HIS  12          2HB       HIS  12  -5.715   1.880  -8.099
   83   2HB   HIS  12          1HB       HIS  12  -4.624   1.947  -6.674
   84    HD1  HIS  12           1HD      HIS  12  -6.825   0.268  -5.955
   85    HD2  HIS  12           2HD      HIS  12  -7.321   4.438  -5.847
   86    HE1  HIS  12           1HE      HIS  12  -8.774   0.724  -4.483
   87    HE2  HIS  12           2HE      HIS  12  -9.017   3.234  -4.361
   88    H    ASP  13           H        ASP  13  -2.524   3.791  -6.966
   89    HA   ASP  13           HA       ASP  13  -1.506   4.919  -9.196
   90   1HB   ASP  13          2HB       ASP  13  -0.383   3.195  -6.952
   91   2HB   ASP  13          1HB       ASP  13   0.706   3.697  -8.293
   92    H    GLY  14           H        GLY  14  -0.110   4.306 -10.841
   93   1HA   GLY  14          2HA       GLY  14  -1.105   1.998 -12.224
   94   2HA   GLY  14          1HA       GLY  14   0.046   3.262 -12.793
   95    H    TYR  15           H        TYR  15   1.869   2.996 -10.617
   96    HA   TYR  15           HA       TYR  15   3.376   0.783 -11.517
   97   1HB   TYR  15          2HB       TYR  15   4.059   3.200 -10.602
   98   2HB   TYR  15          1HB       TYR  15   4.030   2.412  -8.994
   99    HD1  TYR  15           1HD      TYR  15   5.844   0.926  -8.429
  100    HD2  TYR  15           2HD      TYR  15   5.400   2.325 -12.416
  101    HE1  TYR  15           1HE      TYR  15   8.054   0.045  -8.981
  102    HE2  TYR  15           2HE      TYR  15   7.597   1.452 -12.983
  103    HH   TYR  15           HH       TYR  15   9.561   0.701 -12.111
  104    H    CYS  16           H        CYS  16   1.098   1.201  -8.942
  105    HA   CYS  16           HA       CYS  16   2.167  -1.018  -7.412
  106   1HB   CYS  16          2HB       CYS  16  -0.275   0.750  -6.940
  107   2HB   CYS  16          1HB       CYS  16   0.341  -0.498  -5.813
  108    H    LEU  17           H        LEU  17   1.529  -3.064  -7.632
  109    HA   LEU  17           HA       LEU  17  -1.055  -3.618  -8.920
  110   1HB   LEU  17          2HB       LEU  17  -0.112  -5.755  -9.716
  111   2HB   LEU  17          1HB       LEU  17   0.587  -4.322 -10.500
  112    HG   LEU  17           HG       LEU  17   2.091  -5.310  -8.087
  113   1HD1  LEU  17          1HD1      LEU  17   2.024  -6.939 -10.703
  114   2HD1  LEU  17          2HD1      LEU  17   1.362  -7.456  -9.107
  115   3HD1  LEU  17          3HD1      LEU  17   3.132  -7.199  -9.294
  116   1HD2  LEU  17          1HD2      LEU  17   4.039  -4.792  -9.535
  117   2HD2  LEU  17          2HD2      LEU  17   2.892  -3.410  -9.577
  118   3HD2  LEU  17          3HD2      LEU  17   2.958  -4.559 -10.963
  119    H    HIS  18           H        HIS  18  -1.951  -5.758  -8.214
  120    HA   HIS  18           HA       HIS  18  -2.746  -7.034  -6.684
  121   1HB   HIS  18          2HB       HIS  18  -0.235  -7.522  -6.354
  122   2HB   HIS  18          1HB       HIS  18  -0.367  -6.578  -4.850
  123    HD1  HIS  18           1HD      HIS  18  -2.623  -7.646  -3.415
  124    HD2  HIS  18           2HD      HIS  18  -0.218 -10.125  -5.760
  125    HE1  HIS  18           1HE      HIS  18  -2.782  -9.997  -2.410
  126    HE2  HIS  18           2HE      HIS  18  -1.243 -11.431  -3.830
  127    H    ASP  19           H        ASP  19  -3.066  -4.114  -6.677
  128    HA   ASP  19           HA       ASP  19  -3.579  -2.378  -5.482
  129   1HB   ASP  19          2HB       ASP  19  -5.589  -3.691  -6.345
  130   2HB   ASP  19          1HB       ASP  19  -5.933  -4.105  -4.637
  131    H    GLY  20           H        GLY  20  -1.713  -2.385  -4.025
  132   1HA   GLY  20          2HA       GLY  20  -2.130  -3.171  -1.341
  133   2HA   GLY  20          1HA       GLY  20  -0.835  -2.137  -2.042
  134    H    VAL  21           H        VAL  21  -2.166  -1.748   0.522
  135    HA   VAL  21           HA       VAL  21  -4.156   0.250   0.082
  136    HB   VAL  21           HB       VAL  21  -2.869  -0.550   2.700
  137   1HG1  VAL  21          1HG1      VAL  21  -5.047   0.382   3.582
  138   2HG1  VAL  21          2HG1      VAL  21  -5.510   0.882   1.918
  139   3HG1  VAL  21          3HG1      VAL  21  -4.109   1.665   2.740
  140   1HG2  VAL  21          1HG2      VAL  21  -3.881  -2.562   1.615
  141   2HG2  VAL  21          2HG2      VAL  21  -5.364  -1.618   1.217
  142   3HG2  VAL  21          3HG2      VAL  21  -4.947  -1.969   2.927
  143    H    CYS  22           H        CYS  22  -3.614   2.220  -0.584
  144    HA   CYS  22           HA       CYS  22  -0.947   3.141  -0.208
  145   1HB   CYS  22          2HB       CYS  22  -1.606   4.926  -1.785
  146   2HB   CYS  22          1HB       CYS  22  -1.976   3.277  -2.358
  147    H    MET  23           H        MET  23  -0.355   5.330   0.454
  148    HA   MET  23           HA       MET  23  -2.331   6.705   2.072
  149   1HB   MET  23          2HB       MET  23  -0.761   7.078   3.940
  150   2HB   MET  23          1HB       MET  23  -1.187   5.356   3.754
  151   1HG   MET  23          2HG       MET  23   0.969   4.887   2.636
  152   2HG   MET  23          1HG       MET  23   1.420   6.611   2.718
  153   1HE   MET  23          1HE       MET  23   3.222   4.197   3.734
  154   2HE   MET  23          2HE       MET  23   3.888   4.943   5.218
  155   3HE   MET  23          3HE       MET  23   3.664   5.940   3.738
  156    H    TYR  24           H        TYR  24  -1.899   8.924   2.394
  157    HA   TYR  24           HA       TYR  24   0.244  10.047   0.741
  158   1HB   TYR  24          2HB       TYR  24  -1.912  10.347  -0.443
  159   2HB   TYR  24          1HB       TYR  24  -2.680  10.919   1.077
  160    HD1  TYR  24           1HD      TYR  24  -3.568  12.626  -0.086
  161    HD2  TYR  24           2HD      TYR  24   0.677  12.316   0.120
  162    HE1  TYR  24           1HE      TYR  24  -3.388  14.911  -0.789
  163    HE2  TYR  24           2HE      TYR  24   0.875  14.616  -0.571
  164    HH   TYR  24           HH       TYR  24  -0.236  16.531  -1.238
  165    H    ILE  25           H        ILE  25   1.665  11.118   2.007
  166    HA   ILE  25           HA       ILE  25   0.661  12.309   4.474
  167    HB   ILE  25           HB       ILE  25   3.100  12.066   5.171
  168   1HG1  ILE  25          2HG1      ILE  25   3.761  11.028   2.861
  169   2HG1  ILE  25          1HG1      ILE  25   4.419  10.400   4.394
  170   1HG2  ILE  25          1HG2      ILE  25   1.030   9.791   5.176
  171   2HG2  ILE  25          2HG2      ILE  25   1.165  11.156   6.341
  172   3HG2  ILE  25          3HG2      ILE  25   2.455   9.903   6.274
  173   1HD1  ILE  25          1HD1      ILE  25   3.799   8.579   2.776
  174   2HD1  ILE  25          2HD1      ILE  25   2.070   9.058   2.911
  175   3HD1  ILE  25          3HD1      ILE  25   2.947   8.441   4.351
  176    H    GLU  26           H        GLU  26   0.526  14.391   4.273
  177    HA   GLU  26           HA       GLU  26   1.539  15.697   2.058
  178   1HB   GLU  26          2HB       GLU  26  -0.110  16.479   4.417
  179   2HB   GLU  26          1HB       GLU  26   0.737  17.798   3.552
  180   1HG   GLU  26          2HG       GLU  26  -0.190  17.004   1.366
  181   2HG   GLU  26          1HG       GLU  26  -1.205  15.807   2.238
  182    H    ALA  27           H        ALA  27   3.265  15.242   5.003
  183    HA   ALA  27           HA       ALA  27   4.478  17.580   5.444
  184   1HB   ALA  27          1HB       ALA  27   4.758  15.518   6.810
  185   2HB   ALA  27          2HB       ALA  27   6.354  16.230   6.402
  186   3HB   ALA  27          3HB       ALA  27   5.751  14.780   5.512
  187    H    LEU  28           H        LEU  28   5.813  15.196   3.131
  188    HA   LEU  28           HA       LEU  28   7.107  17.492   1.798
  189   1HB   LEU  28          2HB       LEU  28   7.941  14.562   1.836
  190   2HB   LEU  28          1HB       LEU  28   8.658  15.847   0.811
  191    HG   LEU  28           HG       LEU  28   8.763  17.079   3.274
  192   1HD1  LEU  28          1HD1      LEU  28   9.327  14.094   3.830
  193   2HD1  LEU  28          2HD1      LEU  28   7.950  15.058   4.496
  194   3HD1  LEU  28          3HD1      LEU  28   9.641  15.480   4.947
  195   1HD2  LEU  28          1HD2      LEU  28  10.524  16.953   1.574
  196   2HD2  LEU  28          2HD2      LEU  28  10.902  15.243   2.042
  197   3HD2  LEU  28          3HD2      LEU  28  11.180  16.593   3.216
  198    H    ASP  29           H        ASP  29   4.389  15.845   1.673
  199    HA   ASP  29           HA       ASP  29   2.874  15.287   0.289
  200   1HB   ASP  29          2HB       ASP  29   3.500  17.594  -0.617
  201   2HB   ASP  29          1HB       ASP  29   4.278  16.739  -1.999
  202    H    LYS  30           H        LYS  30   4.256  13.233   0.851
  203    HA   LYS  30           HA       LYS  30   4.781  11.845  -1.685
  204   1HB   LYS  30          2HB       LYS  30   6.100  11.362   1.025
  205   2HB   LYS  30          1HB       LYS  30   6.470  10.495  -0.498
  206   1HG   LYS  30          2HG       LYS  30   7.015  13.448   0.118
  207   2HG   LYS  30          1HG       LYS  30   8.220  12.129   0.002
  208   1HD   LYS  30          2HD       LYS  30   7.639  11.804  -2.409
  209   2HD   LYS  30          1HD       LYS  30   6.371  13.068  -2.253
  210   1HE   LYS  30          2HE       LYS  30   8.111  14.811  -1.766
  211   2HE   LYS  30          1HE       LYS  30   9.408  13.579  -2.052
  212   1HZ   LYS  30          1HZ       LYS  30   8.783  14.944  -4.037
  213   2HZ   LYS  30          2HZ       LYS  30   7.255  14.262  -4.006
  214   3HZ   LYS  30          3HZ       LYS  30   8.585  13.269  -4.273
  215    H    TYR  31           H        TYR  31   4.709   9.454  -1.476
  216    HA   TYR  31           HA       TYR  31   2.237   8.749  -0.068
  217   1HB   TYR  31          2HB       TYR  31   2.688   7.784  -2.921
  218   2HB   TYR  31          1HB       TYR  31   1.155   8.052  -2.032
  219    HD1  TYR  31           1HD      TYR  31   3.742   9.450  -4.098
  220    HD2  TYR  31           2HD      TYR  31   0.326  10.377  -1.780
  221    HE1  TYR  31           1HE      TYR  31   3.722  11.729  -5.055
  222    HE2  TYR  31           2HE      TYR  31   0.275  12.646  -2.744
  223    HH   TYR  31           HH       TYR  31   2.078  14.244  -3.665
  224    H    ALA  32           H        ALA  32   1.846   6.292  -0.328
  225    HA   ALA  32           HA       ALA  32   3.889   4.820  -1.466
  226   1HB   ALA  32          1HB       ALA  32   3.700   4.527   1.599
  227   2HB   ALA  32          2HB       ALA  32   5.129   5.164   0.713
  228   3HB   ALA  32          3HB       ALA  32   4.658   3.445   0.522
  229    H    CYS  33           H        CYS  33   3.191   2.795  -2.050
  230    HA   CYS  33           HA       CYS  33   0.555   1.941  -1.214
  231   1HB   CYS  33          2HB       CYS  33   2.598   0.737  -3.139
  232   2HB   CYS  33          1HB       CYS  33   0.960   0.076  -2.856
  233    H    ASN  34           H        ASN  34   0.396   0.844   0.735
  234    HA   ASN  34           HA       ASN  34   2.713  -0.668   1.590
  235   1HB   ASN  34          2HB       ASN  34   0.114   0.005   3.047
  236   2HB   ASN  34          1HB       ASN  34   1.511  -0.889   3.750
  237   1HD2  ASN  34          1HD2      ASN  34   0.171   2.042   3.990
  238   2HD2  ASN  34          2HD2      ASN  34   1.604   3.030   4.112
  239    H    CYS  35           H        CYS  35   2.742  -2.800   2.181
  240    HA   CYS  35           HA       CYS  35   0.875  -4.417   0.629
  241   1HB   CYS  35          2HB       CYS  35   3.723  -4.948   1.599
  242   2HB   CYS  35          1HB       CYS  35   2.743  -6.113   0.665
  243    H    VAL  36           H        VAL  36   0.866  -6.734   1.460
  244    HA   VAL  36           HA       VAL  36  -0.600  -6.889   3.707
  245    HB   VAL  36           HB       VAL  36   0.865  -9.387   3.096
  246   1HG1  VAL  36          1HG1      VAL  36  -1.445 -10.185   2.773
  247   2HG1  VAL  36          2HG1      VAL  36  -2.074  -8.501   2.829
  248   3HG1  VAL  36          3HG1      VAL  36  -1.348  -9.244   4.307
  249   1HG2  VAL  36          1HG2      VAL  36  -0.534  -7.937   0.784
  250   2HG2  VAL  36          2HG2      VAL  36  -0.032  -9.653   0.837
  251   3HG2  VAL  36          3HG2      VAL  36   1.227  -8.392   0.871
  252    H    VAL  37           H        VAL  37  -0.292  -7.957   5.810
  253    HA   VAL  37           HA       VAL  37   2.472  -8.034   6.685
  254    HB   VAL  37           HB       VAL  37   0.864  -7.053   8.177
  255   1HG1  VAL  37          1HG1      VAL  37  -0.258  -9.907   8.520
  256   2HG1  VAL  37          2HG1      VAL  37  -1.121  -8.568   7.656
  257   3HG1  VAL  37          3HG1      VAL  37  -0.741  -8.431   9.410
  258   1HG2  VAL  37          1HG2      VAL  37   1.702  -8.253  10.177
  259   2HG2  VAL  37          2HG2      VAL  37   3.016  -8.072   8.957
  260   3HG2  VAL  37          3HG2      VAL  37   2.185  -9.661   9.182
  261    H    GLY  38           H        GLY  38   3.678  -9.835   6.731
  262   1HA   GLY  38          2HA       GLY  38   4.132 -12.050   6.763
  263   2HA   GLY  38          1HA       GLY  38   2.380 -12.436   6.514
  264    H    TYR  39           H        TYR  39   5.138 -10.810   4.888
  265    HA   TYR  39           HA       TYR  39   3.935 -11.550   2.306
  266   1HB   TYR  39          2HB       TYR  39   2.833  -9.561   2.896
  267   2HB   TYR  39          1HB       TYR  39   4.164  -9.028   3.967
  268    HD1  TYR  39           1HD      TYR  39   5.641  -7.493   3.289
  269    HD2  TYR  39           2HD      TYR  39   3.369  -9.609   0.457
  270    HE1  TYR  39           1HE      TYR  39   6.709  -6.149   1.487
  271    HE2  TYR  39           2HE      TYR  39   4.417  -8.351  -1.388
  272    HH   TYR  39           HH       TYR  39   6.489  -7.120  -1.797
  273    H    ILE  40           H        ILE  40   5.294 -11.743   0.589
  274    HA   ILE  40           HA       ILE  40   7.925 -10.625   0.802
  275    HB   ILE  40           HB       ILE  40   8.801 -12.682  -0.526
  276   1HG1  ILE  40          2HG1      ILE  40   6.881 -14.179   1.309
  277   2HG1  ILE  40          1HG1      ILE  40   6.372 -13.766  -0.346
  278   1HG2  ILE  40          1HG2      ILE  40   9.726 -13.565   1.555
  279   2HG2  ILE  40          2HG2      ILE  40   8.425 -12.766   2.512
  280   3HG2  ILE  40          3HG2      ILE  40   9.651 -11.769   1.638
  281   1HD1  ILE  40          1HD1      ILE  40   7.381 -16.061  -0.235
  282   2HD1  ILE  40          2HD1      ILE  40   8.955 -15.342   0.279
  283   3HD1  ILE  40          3HD1      ILE  40   8.284 -14.972  -1.341
  284    H    GLY  41           H        GLY  41   8.930 -10.578  -1.477
  285   1HA   GLY  41          2HA       GLY  41   8.621 -10.830  -3.760
  286   2HA   GLY  41          1HA       GLY  41   6.842 -10.773  -3.554
  287    H    GLU  42           H        GLU  42   9.382  -9.108  -4.757
  288    HA   GLU  42           HA       GLU  42   9.575  -6.845  -3.266
  289   1HB   GLU  42          2HB       GLU  42  10.253  -7.201  -6.230
  290   2HB   GLU  42          1HB       GLU  42  10.967  -6.010  -5.105
  291   1HG   GLU  42          2HG       GLU  42  11.307  -9.090  -5.041
  292   2HG   GLU  42          1HG       GLU  42  12.535  -7.856  -5.461
  293    H    ARG  43           H        ARG  43   7.613  -7.359  -6.169
  294    HA   ARG  43           HA       ARG  43   6.711  -4.582  -6.026
  295   1HB   ARG  43          2HB       ARG  43   5.745  -4.927  -8.202
  296   2HB   ARG  43          1HB       ARG  43   7.479  -5.328  -8.168
  297   1HG   ARG  43          2HG       ARG  43   6.923  -7.788  -8.120
  298   2HG   ARG  43          1HG       ARG  43   5.188  -7.385  -8.168
  299   1HD   ARG  43          2HD       ARG  43   5.579  -6.102 -10.337
  300   2HD   ARG  43          1HD       ARG  43   7.304  -6.563 -10.308
  301    HE   ARG  43           HE       ARG  43   5.032  -8.183 -11.131
  302   1HH1  ARG  43          1HH1      ARG  43   8.526  -8.239 -10.419
  303   2HH1  ARG  43          2HH1      ARG  43   8.716  -9.831 -10.999
  304   1HH2  ARG  43          1HH2      ARG  43   5.356 -10.330 -11.903
  305   2HH2  ARG  43          2HH2      ARG  43   6.982 -10.965 -11.874
  306    H    CYS  44           H        CYS  44   6.014  -6.298  -3.958
  307    HA   CYS  44           HA       CYS  44   4.341  -6.477  -2.561
  308   1HB   CYS  44          2HB       CYS  44   3.688  -4.255  -3.722
  309   2HB   CYS  44          1HB       CYS  44   2.366  -5.192  -4.458
  310    H    GLN  45           H        GLN  45   4.969  -8.541  -4.390
  311    HA   GLN  45           HA       GLN  45   2.544  -9.461  -5.497
  312   1HB   GLN  45          2HB       GLN  45   4.896  -9.282  -6.498
  313   2HB   GLN  45          1HB       GLN  45   5.306 -10.752  -5.579
  314   1HG   GLN  45          2HG       GLN  45   4.794 -11.440  -7.787
  315   2HG   GLN  45          1HG       GLN  45   3.342 -11.922  -6.839
  316   1HE2  GLN  45          1HE2      GLN  45   4.043 -10.996  -9.751
  317   2HE2  GLN  45          2HE2      GLN  45   2.796  -9.826 -10.132
  318    H    TYR  46           H        TYR  46   4.690 -11.100  -3.011
  319    HA   TYR  46           HA       TYR  46   2.854 -13.365  -3.264
  320   1HB   TYR  46          2HB       TYR  46   5.635 -13.312  -2.079
  321   2HB   TYR  46          1HB       TYR  46   4.675 -14.764  -2.533
  322    HD1  TYR  46           1HD      TYR  46   7.510 -13.498  -3.144
  323    HD2  TYR  46           2HD      TYR  46   3.947 -14.128  -5.374
  324    HE1  TYR  46           1HE      TYR  46   8.833 -13.743  -5.163
  325    HE2  TYR  46           2HE      TYR  46   5.273 -14.406  -7.402
  326    HH   TYR  46           HH       TYR  46   8.838 -14.227  -7.321
  327    H    ARG  47           H        ARG  47   2.633 -14.715  -1.264
  328    HA   ARG  47           HA       ARG  47   2.596 -13.053   1.167
  329   1HB   ARG  47          2HB       ARG  47   0.635 -15.171   0.172
  330   2HB   ARG  47          1HB       ARG  47   0.550 -14.412   1.791
  331   1HG   ARG  47          2HG       ARG  47   0.013 -12.237   0.836
  332   2HG   ARG  47          1HG       ARG  47   0.419 -12.798  -0.810
  333   1HD   ARG  47          2HD       ARG  47  -1.956 -12.696  -0.711
  334   2HD   ARG  47          1HD       ARG  47  -1.480 -14.438  -0.765
  335    HE   ARG  47           HE       ARG  47  -2.212 -12.977   1.828
  336   1HH1  ARG  47          1HH1      ARG  47  -2.914 -15.859  -0.303
  337   2HH1  ARG  47          2HH1      ARG  47  -3.799 -16.546   1.026
  338   1HH2  ARG  47          1HH2      ARG  47  -3.498 -13.979   3.258
  339   2HH2  ARG  47          2HH2      ARG  47  -4.103 -15.607   2.945
  340    H    ASP  48           H        ASP  48   3.150 -14.152   3.129
  341    HA   ASP  48           HA       ASP  48   4.631 -16.587   2.893
  342   1HB   ASP  48          2HB       ASP  48   3.648 -14.855   5.215
  343   2HB   ASP  48          1HB       ASP  48   4.277 -16.498   5.537
  344    H    LEU  49           H        LEU  49   3.163 -18.130   1.927
  345    HA   LEU  49           HA       LEU  49   0.673 -18.592   3.201
  346   1HB   LEU  49          2HB       LEU  49   2.120 -20.191   1.044
  347   2HB   LEU  49          1HB       LEU  49   0.410 -20.402   1.528
  348    HG   LEU  49           HG       LEU  49   1.616 -17.906   0.222
  349   1HD1  LEU  49          1HD1      LEU  49   1.354 -19.888  -1.292
  350   2HD1  LEU  49          2HD1      LEU  49   0.204 -18.565  -1.711
  351   3HD1  LEU  49          3HD1      LEU  49  -0.380 -20.020  -0.819
  352   1HD2  LEU  49          1HD2      LEU  49  -1.295 -18.503   1.088
  353   2HD2  LEU  49          2HD2      LEU  49  -0.774 -17.139   0.036
  354   3HD2  LEU  49          3HD2      LEU  49  -0.229 -17.199   1.746
  355    H    LYS  50           H        LYS  50   3.177 -19.142   4.807
  356    HA   LYS  50           HA       LYS  50   3.366 -21.939   5.122
  357   1HB   LYS  50          2HB       LYS  50   4.360 -19.575   6.810
  358   2HB   LYS  50          1HB       LYS  50   4.641 -21.294   7.247
  359   1HG   LYS  50          2HG       LYS  50   6.584 -20.710   6.222
  360   2HG   LYS  50          1HG       LYS  50   5.707 -21.586   4.936
  361   1HD   LYS  50          2HD       LYS  50   5.109 -19.376   3.869
  362   2HD   LYS  50          1HD       LYS  50   5.840 -18.515   5.262
  363   1HE   LYS  50          2HE       LYS  50   7.381 -18.472   3.348
  364   2HE   LYS  50          1HE       LYS  50   8.067 -19.462   4.713
  365   1HZ   LYS  50          1HZ       LYS  50   7.570 -21.435   3.575
  366   2HZ   LYS  50          2HZ       LYS  50   8.238 -20.432   2.405
  367   3HZ   LYS  50          3HZ       LYS  50   6.561 -20.687   2.449
  368    H    TRP  51           H        TRP  51   1.881 -19.442   7.207
  369    HA   TRP  51           HA       TRP  51   0.631 -21.503   8.796
  370   1HB   TRP  51          2HB       TRP  51  -0.284 -19.607  10.107
  371   2HB   TRP  51          1HB       TRP  51   1.501 -19.652   9.999
  372    HD1  TRP  51           HD       TRP  51  -1.507 -17.494   8.761
  373    HE1  TRP  51           1HE      TRP  51  -0.565 -15.206   8.084
  374    HE3  TRP  51           3HE      TRP  51   3.451 -18.535   9.195
  375    HZ2  TRP  51           2HZ      TRP  51   1.961 -13.986   7.889
  376    HZ3  TRP  51           3HZ      TRP  51   5.073 -16.758   8.760
  377    HH2  TRP  51           HH       TRP  51   4.354 -14.526   8.121
  378    H    TRP  52           H        TRP  52  -0.319 -19.305   6.243
  379    HA   TRP  52           HA       TRP  52  -3.054 -19.504   6.547
  380   1HB   TRP  52          2HB       TRP  52  -1.366 -19.057   4.030
  381   2HB   TRP  52          1HB       TRP  52  -3.148 -18.899   4.072
  382    HD1  TRP  52           HD       TRP  52  -0.225 -16.679   4.377
  383    HE1  TRP  52           1HE      TRP  52  -1.036 -14.381   5.149
  384    HE3  TRP  52           3HE      TRP  52  -4.895 -17.988   5.858
  385    HZ2  TRP  52           2HZ      TRP  52  -3.392 -13.274   6.256
  386    HZ3  TRP  52           3HZ      TRP  52  -6.405 -16.248   6.666
  387    HH2  TRP  52           HH       TRP  52  -5.679 -13.928   6.843
  388    H    GLU  53           H        GLU  53  -0.921 -21.696   4.712
  389    HA   GLU  53           HA       GLU  53  -3.223 -23.126   3.721
  390   1HB   GLU  53          2HB       GLU  53  -1.381 -22.742   2.212
  391   2HB   GLU  53          1HB       GLU  53  -0.260 -23.643   3.278
  392   1HG   GLU  53          2HG       GLU  53  -1.384 -25.745   2.860
  393   2HG   GLU  53          1HG       GLU  53  -2.845 -24.926   2.199
  394    H    LEU  54           H        LEU  54  -3.968 -23.424   5.809
  395    HA   LEU  54           HA       LEU  54  -2.874 -25.629   7.336
  396   1HB   LEU  54          2HB       LEU  54  -3.793 -23.477   8.280
  397   2HB   LEU  54          1HB       LEU  54  -5.415 -23.945   7.713
  398    HG   LEU  54           HG       LEU  54  -4.891 -24.233  10.163
  399   1HD1  LEU  54          1HD1      LEU  54  -5.754 -26.822   8.758
  400   2HD1  LEU  54          2HD1      LEU  54  -6.811 -25.405   9.125
  401   3HD1  LEU  54          3HD1      LEU  54  -6.084 -26.360  10.468
  402   1HD2  LEU  54          1HD2      LEU  54  -2.550 -25.112   9.968
  403   2HD2  LEU  54          2HD2      LEU  54  -3.201 -26.661   9.308
  404   3HD2  LEU  54          3HD2      LEU  54  -3.614 -26.159  10.984
  Start of MODEL   32
    1   1H    VAL   1          1HT       VAL   1   6.485  19.011   6.613
    2   2H    VAL   1          2HT       VAL   1   5.789  20.229   7.553
    3   3H    VAL   1          3HT       VAL   1   5.098  19.817   6.091
    4    HA   VAL   1           HA       VAL   1   4.829  17.532   6.966
    5    HB   VAL   1           HB       VAL   1   6.566  18.078   8.785
    6   1HG1  VAL   1          1HG1      VAL   1   4.015  18.784  10.373
    7   2HG1  VAL   1          2HG1      VAL   1   5.257  19.986   9.869
    8   3HG1  VAL   1          3HG1      VAL   1   5.692  18.650  10.981
    9   1HG2  VAL   1          1HG2      VAL   1   5.547  15.855   8.477
   10   2HG2  VAL   1          2HG2      VAL   1   4.113  16.349   9.475
   11   3HG2  VAL   1          3HG2      VAL   1   5.744  16.277  10.204
   12    H    VAL   2           H        VAL   2   2.731  16.776   8.001
   13    HA   VAL   2           HA       VAL   2   0.875  18.885   8.512
   14    HB   VAL   2           HB       VAL   2   0.931  18.469   6.036
   15   1HG1  VAL   2          1HG1      VAL   2  -0.071  16.408   5.150
   16   2HG1  VAL   2          2HG1      VAL   2  -0.262  15.708   6.786
   17   3HG1  VAL   2          3HG1      VAL   2   1.387  15.991   6.114
   18   1HG2  VAL   2          1HG2      VAL   2  -1.760  17.828   7.393
   19   2HG2  VAL   2          2HG2      VAL   2  -1.478  18.473   5.744
   20   3HG2  VAL   2          3HG2      VAL   2  -1.039  19.469   7.173
   21    H    SER   3           H        SER   3  -1.157  17.861   9.498
   22    HA   SER   3           HA       SER   3  -0.544  15.216  10.611
   23   1HB   SER   3          2HB       SER   3  -1.953  15.862  12.582
   24   2HB   SER   3          1HB       SER   3  -0.423  16.760  12.402
   25    HG   SER   3           HG       SER   3  -3.031  17.700  11.885
   26    H    HIS   4           H        HIS   4  -1.825  15.717   8.055
   27    HA   HIS   4           HA       HIS   4  -4.441  14.495   8.674
   28   1HB   HIS   4          2HB       HIS   4  -3.523  15.961   6.142
   29   2HB   HIS   4          1HB       HIS   4  -5.020  14.985   6.265
   30    HD1  HIS   4           1HD      HIS   4  -6.424  16.969   5.698
   31    HD2  HIS   4           2HD      HIS   4  -4.292  17.493   9.268
   32    HE1  HIS   4           1HE      HIS   4  -7.316  19.060   6.776
   33    HE2  HIS   4           2HE      HIS   4  -6.051  19.319   8.957
   34    H    PHE   5           H        PHE   5  -5.037  12.620   7.560
   35    HA   PHE   5           HA       PHE   5  -2.861  11.189   6.216
   36   1HB   PHE   5          2HB       PHE   5  -5.444  10.326   7.630
   37   2HB   PHE   5          1HB       PHE   5  -4.689   9.274   6.382
   38    HD1  PHE   5           1HD      PHE   5  -4.133  10.816   9.704
   39    HD2  PHE   5           2HD      PHE   5  -2.653   8.203   6.697
   40    HE1  PHE   5           1HE      PHE   5  -2.434   9.981  11.262
   41    HE2  PHE   5           2HE      PHE   5  -0.972   7.363   8.232
   42    HZ   PHE   5           HZ       PHE   5  -0.848   8.252  10.537
   43    H    ASN   6           H        ASN   6  -3.126  10.441   4.153
   44    HA   ASN   6           HA       ASN   6  -5.636  11.004   2.817
   45   1HB   ASN   6          2HB       ASN   6  -2.882  11.995   1.887
   46   2HB   ASN   6          1HB       ASN   6  -4.245  11.760   0.738
   47   1HD2  ASN   6          1HD2      ASN   6  -6.432  12.767   1.604
   48   2HD2  ASN   6          2HD2      ASN   6  -6.257  14.442   2.041
   49    H    ASP   7           H        ASP   7  -6.344   9.322   1.867
   50    HA   ASP   7           HA       ASP   7  -4.628   7.327   0.649
   51   1HB   ASP   7          2HB       ASP   7  -6.839   6.762   1.764
   52   2HB   ASP   7          1HB       ASP   7  -7.663   7.938   0.686
   53    H    CYS   8           H        CYS   8  -4.151   7.471  -1.561
   54    HA   CYS   8           HA       CYS   8  -3.933   9.891  -2.711
   55   1HB   CYS   8          2HB       CYS   8  -3.987   7.165  -4.035
   56   2HB   CYS   8          1HB       CYS   8  -3.371   8.655  -4.809
   57    HA   PRO   9           HA       PRO   9  -8.136   9.894  -4.200
   58   1HB   PRO   9          2HB       PRO   9  -8.716  12.558  -4.256
   59   2HB   PRO   9          1HB       PRO   9  -8.455  11.636  -2.730
   60   1HG   PRO   9          2HG       PRO   9  -6.469  13.493  -4.130
   61   2HG   PRO   9          1HG       PRO   9  -6.832  13.316  -2.363
   62   1HD   PRO   9          2HD       PRO   9  -4.702  12.007  -3.766
   63   2HD   PRO   9          1HD       PRO   9  -5.378  11.505  -2.166
   64    H    LEU  10           H        LEU  10  -6.283  12.502  -5.788
   65    HA   LEU  10           HA       LEU  10  -7.720  12.163  -8.186
   66   1HB   LEU  10          2HB       LEU  10  -6.509  13.937  -9.107
   67   2HB   LEU  10          1HB       LEU  10  -6.904  14.353  -7.423
   68    HG   LEU  10           HG       LEU  10  -4.154  13.415  -8.436
   69   1HD1  LEU  10          1HD1      LEU  10  -4.831  15.599  -9.399
   70   2HD1  LEU  10          2HD1      LEU  10  -3.493  15.791  -8.208
   71   3HD1  LEU  10          3HD1      LEU  10  -5.181  16.231  -7.741
   72   1HD2  LEU  10          1HD2      LEU  10  -4.969  14.610  -5.703
   73   2HD2  LEU  10          2HD2      LEU  10  -3.287  14.330  -6.274
   74   3HD2  LEU  10          3HD2      LEU  10  -4.359  12.928  -5.996
   75    H    SER  11           H        SER  11  -4.527  11.098  -7.173
   76    HA   SER  11           HA       SER  11  -3.886  10.118  -9.796
   77   1HB   SER  11          2HB       SER  11  -2.164  10.975  -8.134
   78   2HB   SER  11          1HB       SER  11  -2.475   9.510  -7.153
   79    HG   SER  11           HG       SER  11  -0.788   9.059  -8.472
   80    H    HIS  12           H        HIS  12  -3.410   7.878 -10.277
   81    HA   HIS  12           HA       HIS  12  -4.921   5.990  -8.594
   82   1HB   HIS  12          2HB       HIS  12  -4.800   6.014 -11.648
   83   2HB   HIS  12          1HB       HIS  12  -5.380   4.628 -10.656
   84    HD1  HIS  12           1HD      HIS  12  -6.402   8.093 -11.703
   85    HD2  HIS  12           2HD      HIS  12  -7.805   5.005  -9.232
   86    HE1  HIS  12           1HE      HIS  12  -8.738   8.724 -10.986
   87    HE2  HIS  12           2HE      HIS  12  -9.580   6.848  -9.554
   88    H    ASP  13           H        ASP  13  -4.174   3.886  -8.487
   89    HA   ASP  13           HA       ASP  13  -1.337   3.861  -8.303
   90   1HB   ASP  13          2HB       ASP  13  -3.160   2.998  -6.650
   91   2HB   ASP  13          1HB       ASP  13  -3.224   1.527  -7.670
   92    H    GLY  14           H        GLY  14  -0.149   1.877  -8.935
   93   1HA   GLY  14          2HA       GLY  14  -0.850   0.767 -11.513
   94   2HA   GLY  14          1HA       GLY  14   0.426   2.047 -11.529
   95    H    TYR  15           H        TYR  15   1.972   1.593  -9.411
   96    HA   TYR  15           HA       TYR  15   3.172  -0.882 -10.188
   97   1HB   TYR  15          2HB       TYR  15   4.369   1.363  -9.946
   98   2HB   TYR  15          1HB       TYR  15   4.228   1.166  -8.171
   99    HD1  TYR  15           1HD      TYR  15   6.184   0.358  -7.245
  100    HD2  TYR  15           2HD      TYR  15   5.148  -0.947 -11.155
  101    HE1  TYR  15           1HE      TYR  15   8.211  -0.998  -7.326
  102    HE2  TYR  15           2HE      TYR  15   7.152  -2.329 -11.229
  103    HH   TYR  15           HH       TYR  15   9.543  -2.256  -8.596
  104    H    CYS  16           H        CYS  16   1.300   0.155  -7.347
  105    HA   CYS  16           HA       CYS  16   2.251  -2.208  -5.934
  106   1HB   CYS  16          2HB       CYS  16   1.820   0.143  -4.927
  107   2HB   CYS  16          1HB       CYS  16   0.093  -0.271  -5.003
  108    H    LEU  17           H        LEU  17   0.914  -4.047  -5.515
  109    HA   LEU  17           HA       LEU  17  -1.477  -4.128  -7.224
  110   1HB   LEU  17          2HB       LEU  17   0.866  -5.985  -6.988
  111   2HB   LEU  17          1HB       LEU  17  -0.739  -6.717  -7.194
  112    HG   LEU  17           HG       LEU  17  -1.121  -5.165  -9.190
  113   1HD1  LEU  17          1HD1      LEU  17   0.979  -4.523 -10.449
  114   2HD1  LEU  17          2HD1      LEU  17   1.947  -4.899  -8.975
  115   3HD1  LEU  17          3HD1      LEU  17   0.751  -3.548  -8.960
  116   1HD2  LEU  17          1HD2      LEU  17  -0.036  -6.747 -10.712
  117   2HD2  LEU  17          2HD2      LEU  17  -0.718  -7.639  -9.304
  118   3HD2  LEU  17          3HD2      LEU  17   1.065  -7.318  -9.405
  119    H    HIS  18           H        HIS  18  -2.896  -5.894  -6.781
  120    HA   HIS  18           HA       HIS  18  -4.526  -6.618  -5.643
  121   1HB   HIS  18          2HB       HIS  18  -2.641  -8.203  -5.042
  122   2HB   HIS  18          1HB       HIS  18  -2.640  -7.465  -3.418
  123    HD1  HIS  18           1HD      HIS  18  -4.750  -8.142  -1.931
  124    HD2  HIS  18           2HD      HIS  18  -4.879  -9.741  -5.806
  125    HE1  HIS  18           1HE      HIS  18  -6.553  -9.884  -1.941
  126    HE2  HIS  18           2HE      HIS  18  -6.633 -10.814  -4.291
  127    H    ASP  19           H        ASP  19  -4.680  -4.028  -5.452
  128    HA   ASP  19           HA       ASP  19  -5.490  -2.346  -4.413
  129   1HB   ASP  19          2HB       ASP  19  -6.806  -4.436  -2.629
  130   2HB   ASP  19          1HB       ASP  19  -7.282  -2.697  -2.701
  131    H    GLY  20           H        GLY  20  -3.196  -1.894  -3.877
  132   1HA   GLY  20          2HA       GLY  20  -2.441  -2.189  -1.124
  133   2HA   GLY  20          1HA       GLY  20  -1.591  -1.352  -2.469
  134    H    VAL  21           H        VAL  21  -1.869  -0.370   0.303
  135    HA   VAL  21           HA       VAL  21  -3.819   1.737   0.033
  136    HB   VAL  21           HB       VAL  21  -1.884   1.165   2.288
  137   1HG1  VAL  21          1HG1      VAL  21  -4.380   2.990   2.018
  138   2HG1  VAL  21          2HG1      VAL  21  -2.677   3.551   2.237
  139   3HG1  VAL  21          3HG1      VAL  21  -3.497   2.640   3.549
  140   1HG2  VAL  21          1HG2      VAL  21  -4.857   0.428   1.865
  141   2HG2  VAL  21          2HG2      VAL  21  -3.944   0.247   3.404
  142   3HG2  VAL  21          3HG2      VAL  21  -3.476  -0.732   1.971
  143    H    CYS  22           H        CYS  22  -3.271   3.413  -1.211
  144    HA   CYS  22           HA       CYS  22  -0.510   4.138  -1.610
  145   1HB   CYS  22          2HB       CYS  22  -2.106   3.946  -3.482
  146   2HB   CYS  22          1HB       CYS  22  -3.160   5.166  -2.741
  147    H    MET  23           H        MET  23   0.471   5.454  -0.173
  148    HA   MET  23           HA       MET  23  -1.051   7.820   0.689
  149   1HB   MET  23          2HB       MET  23   1.072   6.311   2.270
  150   2HB   MET  23          1HB       MET  23   0.374   7.916   2.690
  151   1HG   MET  23          2HG       MET  23  -1.899   6.876   2.855
  152   2HG   MET  23          1HG       MET  23  -1.189   5.277   2.487
  153   1HE   MET  23          1HE       MET  23  -3.074   6.099   4.836
  154   2HE   MET  23          2HE       MET  23  -2.386   5.217   6.239
  155   3HE   MET  23          3HE       MET  23  -2.482   4.415   4.639
  156    H    TYR  24           H        TYR  24  -0.407   9.117  -0.894
  157    HA   TYR  24           HA       TYR  24   2.450   9.834  -0.958
  158   1HB   TYR  24          2HB       TYR  24   1.610   9.620  -3.252
  159   2HB   TYR  24          1HB       TYR  24   0.131  10.542  -2.820
  160    HD1  TYR  24           1HD      TYR  24   0.131  12.198  -4.223
  161    HD2  TYR  24           2HD      TYR  24   3.736  11.459  -2.087
  162    HE1  TYR  24           1HE      TYR  24   0.984  14.320  -4.962
  163    HE2  TYR  24           2HE      TYR  24   4.615  13.593  -2.821
  164    HH   TYR  24           HH       TYR  24   4.016  15.680  -3.768
  165    H    ILE  25           H        ILE  25   2.991  11.297   0.585
  166    HA   ILE  25           HA       ILE  25   0.874  13.022   1.591
  167    HB   ILE  25           HB       ILE  25   3.623  12.645   2.756
  168   1HG1  ILE  25          2HG1      ILE  25   1.045  11.029   3.178
  169   2HG1  ILE  25          1HG1      ILE  25   2.650  10.412   2.656
  170   1HG2  ILE  25          1HG2      ILE  25   0.831  13.626   3.660
  171   2HG2  ILE  25          2HG2      ILE  25   2.240  14.701   3.299
  172   3HG2  ILE  25          3HG2      ILE  25   2.277  13.590   4.723
  173   1HD1  ILE  25          1HD1      ILE  25   1.874  11.561   5.392
  174   2HD1  ILE  25          2HD1      ILE  25   3.596  11.318   4.889
  175   3HD1  ILE  25          3HD1      ILE  25   2.482   9.903   5.004
  176    H    GLU  26           H        GLU  26   0.812  14.919   0.410
  177    HA   GLU  26           HA       GLU  26   2.861  15.726  -1.274
  178   1HB   GLU  26          2HB       GLU  26   0.443  16.133  -1.561
  179   2HB   GLU  26          1HB       GLU  26   0.454  17.262  -0.171
  180   1HG   GLU  26          2HG       GLU  26   1.980  18.808  -1.426
  181   2HG   GLU  26          1HG       GLU  26   2.076  17.628  -2.786
  182    H    ALA  27           H        ALA  27   1.952  16.829   1.955
  183    HA   ALA  27           HA       ALA  27   3.686  18.950   2.207
  184   1HB   ALA  27          1HB       ALA  27   3.253  18.623   4.664
  185   2HB   ALA  27          2HB       ALA  27   2.598  16.972   4.308
  186   3HB   ALA  27          3HB       ALA  27   1.758  18.437   3.693
  187    H    LEU  28           H        LEU  28   4.311  15.532   3.057
  188    HA   LEU  28           HA       LEU  28   6.971  16.245   3.934
  189   1HB   LEU  28          2HB       LEU  28   5.495  13.582   3.837
  190   2HB   LEU  28          1HB       LEU  28   7.230  13.739   4.229
  191    HG   LEU  28           HG       LEU  28   6.380  15.589   5.944
  192   1HD1  LEU  28          1HD1      LEU  28   4.262  14.860   7.084
  193   2HD1  LEU  28          2HD1      LEU  28   4.020  13.622   5.807
  194   3HD1  LEU  28          3HD1      LEU  28   3.952  15.380   5.374
  195   1HD2  LEU  28          1HD2      LEU  28   6.318  12.538   6.400
  196   2HD2  LEU  28          2HD2      LEU  28   6.470  13.788   7.697
  197   3HD2  LEU  28          3HD2      LEU  28   7.765  13.611   6.457
  198    H    ASP  29           H        ASP  29   5.416  15.278   1.060
  199    HA   ASP  29           HA       ASP  29   5.990  15.408  -0.960
  200   1HB   ASP  29          2HB       ASP  29   7.693  17.063  -0.223
  201   2HB   ASP  29          1HB       ASP  29   8.891  15.745  -0.048
  202    H    LYS  30           H        LYS  30   6.320  12.811   0.792
  203    HA   LYS  30           HA       LYS  30   7.665  11.285  -1.338
  204   1HB   LYS  30          2HB       LYS  30   7.682  10.545   1.599
  205   2HB   LYS  30          1HB       LYS  30   8.622   9.812   0.261
  206   1HG   LYS  30          2HG       LYS  30   8.930  12.614   1.446
  207   2HG   LYS  30          1HG       LYS  30  10.046  11.250   1.684
  208   1HD   LYS  30          2HD       LYS  30  10.823  11.353  -0.612
  209   2HD   LYS  30          1HD       LYS  30   9.441  12.349  -1.111
  210   1HE   LYS  30          2HE       LYS  30  10.320  14.192   0.541
  211   2HE   LYS  30          1HE       LYS  30  11.854  13.242   0.575
  212   1HZ   LYS  30          1HZ       LYS  30  11.689  13.385  -1.951
  213   2HZ   LYS  30          2HZ       LYS  30  12.153  14.748  -1.092
  214   3HZ   LYS  30          3HZ       LYS  30  10.580  14.648  -1.720
  215    H    TYR  31           H        TYR  31   7.151   9.256  -1.776
  216    HA   TYR  31           HA       TYR  31   4.293   8.687  -1.483
  217   1HB   TYR  31          2HB       TYR  31   6.457   7.752  -3.467
  218   2HB   TYR  31          1HB       TYR  31   4.785   7.114  -3.469
  219    HD1  TYR  31           1HD      TYR  31   3.169   8.128  -4.641
  220    HD2  TYR  31           2HD      TYR  31   6.759  10.251  -3.900
  221    HE1  TYR  31           1HE      TYR  31   2.546   9.775  -6.358
  222    HE2  TYR  31           2HE      TYR  31   6.142  11.912  -5.575
  223    HH   TYR  31           HH       TYR  31   4.766  12.420  -7.225
  224    H    ALA  32           H        ALA  32   3.545   6.732  -0.571
  225    HA   ALA  32           HA       ALA  32   5.228   4.546  -1.173
  226   1HB   ALA  32          1HB       ALA  32   5.326   3.537   1.127
  227   2HB   ALA  32          2HB       ALA  32   4.432   4.963   1.782
  228   3HB   ALA  32          3HB       ALA  32   6.102   5.156   1.149
  229    H    CYS  33           H        CYS  33   4.325   2.524  -1.065
  230    HA   CYS  33           HA       CYS  33   1.426   2.424  -0.648
  231   1HB   CYS  33          2HB       CYS  33   2.327   1.611  -2.872
  232   2HB   CYS  33          1HB       CYS  33   3.258   0.366  -1.999
  233    H    ASN  34           H        ASN  34   0.629   1.054   0.948
  234    HA   ASN  34           HA       ASN  34   2.566  -0.683   2.319
  235   1HB   ASN  34          2HB       ASN  34   1.844   1.214   3.783
  236   2HB   ASN  34          1HB       ASN  34   0.136   0.746   3.523
  237   1HD2  ASN  34          1HD2      ASN  34  -0.567  -0.142   5.415
  238   2HD2  ASN  34          2HD2      ASN  34   0.219  -1.422   6.290
  239    H    CYS  35           H        CYS  35   1.988  -2.789   2.580
  240    HA   CYS  35           HA       CYS  35  -0.536  -3.613   1.378
  241   1HB   CYS  35          2HB       CYS  35   0.552  -5.404   0.218
  242   2HB   CYS  35          1HB       CYS  35   1.325  -3.856  -0.205
  243    H    VAL  36           H        VAL  36  -0.711  -6.146   1.803
  244    HA   VAL  36           HA       VAL  36  -1.198  -6.256   4.599
  245    HB   VAL  36           HB       VAL  36  -1.626  -8.387   2.498
  246   1HG1  VAL  36          1HG1      VAL  36  -2.996  -7.764   5.201
  247   2HG1  VAL  36          2HG1      VAL  36  -2.107  -9.272   4.736
  248   3HG1  VAL  36          3HG1      VAL  36  -3.660  -8.875   3.956
  249   1HG2  VAL  36          1HG2      VAL  36  -3.365  -5.943   3.215
  250   2HG2  VAL  36          2HG2      VAL  36  -3.928  -7.365   2.274
  251   3HG2  VAL  36          3HG2      VAL  36  -2.637  -6.323   1.600
  252    H    VAL  37           H        VAL  37  -0.675  -8.121   5.926
  253    HA   VAL  37           HA       VAL  37   2.042  -8.882   5.800
  254    HB   VAL  37           HB       VAL  37   0.988  -8.356   7.867
  255   1HG1  VAL  37          1HG1      VAL  37  -0.846 -10.791   7.389
  256   2HG1  VAL  37          2HG1      VAL  37  -1.361  -9.061   7.404
  257   3HG1  VAL  37          3HG1      VAL  37  -0.727  -9.826   8.895
  258   1HG2  VAL  37          1HG2      VAL  37   1.715 -10.275   9.207
  259   2HG2  VAL  37          2HG2      VAL  37   2.885 -10.008   7.868
  260   3HG2  VAL  37          3HG2      VAL  37   1.688 -11.361   7.784
  261    H    GLY  38           H        GLY  38   2.971 -10.775   5.220
  262   1HA   GLY  38          2HA       GLY  38   3.150 -12.898   4.590
  263   2HA   GLY  38          1HA       GLY  38   1.360 -13.074   4.624
  264    H    TYR  39           H        TYR  39   2.630 -10.416   2.873
  265    HA   TYR  39           HA       TYR  39   2.368 -11.845   0.328
  266   1HB   TYR  39          2HB       TYR  39   1.363  -9.046   1.105
  267   2HB   TYR  39          1HB       TYR  39   1.587  -9.582  -0.605
  268    HD1  TYR  39           1HD      TYR  39   0.092 -11.068  -1.628
  269    HD2  TYR  39           2HD      TYR  39  -0.267 -10.269   2.527
  270    HE1  TYR  39           1HE      TYR  39  -2.086 -12.187  -1.603
  271    HE2  TYR  39           2HE      TYR  39  -2.418 -11.428   2.571
  272    HH   TYR  39           HH       TYR  39  -3.789 -12.907  -0.356
  273    H    ILE  40           H        ILE  40   4.181 -11.840  -0.779
  274    HA   ILE  40           HA       ILE  40   6.300  -9.999   0.083
  275    HB   ILE  40           HB       ILE  40   7.879 -11.854  -0.374
  276   1HG1  ILE  40          2HG1      ILE  40   5.334 -13.581  -0.348
  277   2HG1  ILE  40          1HG1      ILE  40   6.267 -13.175  -1.825
  278   1HG2  ILE  40          1HG2      ILE  40   7.486 -12.888   1.816
  279   2HG2  ILE  40          2HG2      ILE  40   5.770 -12.346   1.817
  280   3HG2  ILE  40          3HG2      ILE  40   7.105 -11.134   1.905
  281   1HD1  ILE  40          1HD1      ILE  40   8.308 -14.277  -0.849
  282   2HD1  ILE  40          2HD1      ILE  40   6.920 -15.413  -1.017
  283   3HD1  ILE  40          3HD1      ILE  40   7.347 -14.755   0.599
  284    H    GLY  41           H        GLY  41   8.198 -10.111  -1.559
  285   1HA   GLY  41          2HA       GLY  41   8.801  -9.578  -3.681
  286   2HA   GLY  41          1HA       GLY  41   7.079  -9.558  -4.207
  287    H    GLU  42           H        GLU  42   8.706  -7.418  -4.961
  288    HA   GLU  42           HA       GLU  42   8.903  -5.446  -3.023
  289   1HB   GLU  42          2HB       GLU  42   9.708  -4.046  -4.719
  290   2HB   GLU  42          1HB       GLU  42  10.378  -5.666  -4.990
  291   1HG   GLU  42          2HG       GLU  42   8.041  -4.409  -6.588
  292   2HG   GLU  42          1HG       GLU  42   9.761  -4.396  -7.047
  293    H    ARG  43           H        ARG  43   6.456  -6.132  -5.472
  294    HA   ARG  43           HA       ARG  43   4.821  -3.943  -4.387
  295   1HB   ARG  43          2HB       ARG  43   3.573  -4.040  -6.480
  296   2HB   ARG  43          1HB       ARG  43   5.302  -3.688  -6.699
  297   1HG   ARG  43          2HG       ARG  43   5.597  -6.216  -7.301
  298   2HG   ARG  43          1HG       ARG  43   3.805  -6.255  -7.415
  299   1HD   ARG  43          2HD       ARG  43   4.008  -4.243  -9.041
  300   2HD   ARG  43          1HD       ARG  43   5.787  -4.417  -8.952
  301    HE   ARG  43           HE       ARG  43   3.807  -6.254 -10.269
  302   1HH1  ARG  43          1HH1      ARG  43   7.386  -5.891  -9.743
  303   2HH1  ARG  43          2HH1      ARG  43   7.591  -5.880 -11.468
  304   1HH2  ARG  43          1HH2      ARG  43   4.321  -6.824 -12.227
  305   2HH2  ARG  43          2HH2      ARG  43   5.995  -6.985 -12.734
  306    H    CYS  44           H        CYS  44   5.306  -6.655  -3.241
  307    HA   CYS  44           HA       CYS  44   4.244  -8.108  -2.069
  308   1HB   CYS  44          2HB       CYS  44   1.902  -6.174  -2.040
  309   2HB   CYS  44          1HB       CYS  44   2.341  -7.386  -0.791
  310    H    GLN  45           H        GLN  45   4.022  -8.954  -4.656
  311    HA   GLN  45           HA       GLN  45   1.257  -9.374  -5.251
  312   1HB   GLN  45          2HB       GLN  45   3.429  -8.965  -6.759
  313   2HB   GLN  45          1HB       GLN  45   3.465 -10.748  -6.788
  314   1HG   GLN  45          2HG       GLN  45   0.953 -10.634  -7.510
  315   2HG   GLN  45          1HG       GLN  45   1.166  -8.850  -7.634
  316   1HE2  GLN  45          1HE2      GLN  45   3.825  -8.792  -8.748
  317   2HE2  GLN  45          2HE2      GLN  45   3.739  -9.457 -10.354
  318    H    TYR  46           H        TYR  46   3.934 -11.483  -4.127
  319    HA   TYR  46           HA       TYR  46   2.308 -13.792  -4.694
  320   1HB   TYR  46          2HB       TYR  46   5.060 -13.839  -3.383
  321   2HB   TYR  46          1HB       TYR  46   4.262 -15.122  -4.354
  322    HD1  TYR  46           1HD      TYR  46   6.568 -12.498  -4.376
  323    HD2  TYR  46           2HD      TYR  46   3.626 -14.353  -6.817
  324    HE1  TYR  46           1HE      TYR  46   7.664 -11.599  -6.364
  325    HE2  TYR  46           2HE      TYR  46   4.707 -13.439  -8.819
  326    HH   TYR  46           HH       TYR  46   7.876 -12.032  -8.620
  327    H    ARG  47           H        ARG  47   1.494 -15.258  -3.189
  328    HA   ARG  47           HA       ARG  47   1.238 -14.134  -0.497
  329   1HB   ARG  47          2HB       ARG  47  -0.609 -16.096  -0.535
  330   2HB   ARG  47          1HB       ARG  47  -0.921 -14.408  -0.952
  331   1HG   ARG  47          2HG       ARG  47  -0.150 -16.410  -3.126
  332   2HG   ARG  47          1HG       ARG  47  -1.810 -16.305  -2.485
  333   1HD   ARG  47          2HD       ARG  47  -2.101 -13.991  -3.179
  334   2HD   ARG  47          1HD       ARG  47  -0.376 -13.864  -3.692
  335    HE   ARG  47           HE       ARG  47  -2.108 -16.007  -4.954
  336   1HH1  ARG  47          1HH1      ARG  47  -0.308 -12.897  -5.499
  337   2HH1  ARG  47          2HH1      ARG  47  -0.425 -13.152  -7.185
  338   1HH2  ARG  47          1HH2      ARG  47  -2.437 -15.985  -7.137
  339   2HH2  ARG  47          2HH2      ARG  47  -1.947 -14.599  -8.057
  340    H    ASP  48           H        ASP  48   2.353 -14.985   1.107
  341    HA   ASP  48           HA       ASP  48   3.820 -17.409   0.567
  342   1HB   ASP  48          2HB       ASP  48   4.861 -15.204   1.309
  343   2HB   ASP  48          1HB       ASP  48   4.071 -15.432   2.909
  344    H    LEU  49           H        LEU  49   2.279 -19.031   0.800
  345    HA   LEU  49           HA       LEU  49   0.470 -18.890   2.985
  346   1HB   LEU  49          2HB       LEU  49   0.844 -20.958   0.787
  347   2HB   LEU  49          1HB       LEU  49  -0.546 -20.896   1.912
  348    HG   LEU  49           HG       LEU  49   0.198 -18.658  -0.058
  349   1HD1  LEU  49          1HD1      LEU  49  -2.008 -20.800  -0.191
  350   2HD1  LEU  49          2HD1      LEU  49  -0.526 -20.736  -1.219
  351   3HD1  LEU  49          3HD1      LEU  49  -1.780 -19.440  -1.353
  352   1HD2  LEU  49          1HD2      LEU  49  -1.046 -17.732   1.881
  353   2HD2  LEU  49          2HD2      LEU  49  -2.269 -19.060   1.756
  354   3HD2  LEU  49          3HD2      LEU  49  -2.132 -17.830   0.452
  355    H    LYS  50           H        LYS  50   3.528 -19.826   3.345
  356    HA   LYS  50           HA       LYS  50   3.206 -22.391   4.451
  357   1HB   LYS  50          2HB       LYS  50   5.426 -20.325   4.842
  358   2HB   LYS  50          1HB       LYS  50   5.420 -21.958   5.572
  359   1HG   LYS  50          2HG       LYS  50   6.602 -22.520   3.814
  360   2HG   LYS  50          1HG       LYS  50   5.014 -22.765   3.037
  361   1HD   LYS  50          2HD       LYS  50   5.219 -20.528   1.924
  362   2HD   LYS  50          1HD       LYS  50   6.645 -20.152   2.940
  363   1HE   LYS  50          2HE       LYS  50   7.806 -22.219   1.900
  364   2HE   LYS  50          1HE       LYS  50   6.475 -22.234   0.672
  365   1HZ   LYS  50          1HZ       LYS  50   8.324 -21.005  -0.141
  366   2HZ   LYS  50          2HZ       LYS  50   8.443 -20.077   1.250
  367   3HZ   LYS  50          3HZ       LYS  50   7.113 -19.864   0.203
  368    H    TRP  51           H        TRP  51   3.229 -19.174   5.989
  369    HA   TRP  51           HA       TRP  51   2.942 -20.334   8.580
  370   1HB   TRP  51          2HB       TRP  51   2.839 -18.096   9.426
  371   2HB   TRP  51          1HB       TRP  51   4.142 -18.212   8.202
  372    HD1  TRP  51           HD       TRP  51   3.624 -16.895   5.767
  373    HE1  TRP  51           1HE      TRP  51   2.023 -14.981   5.237
  374    HE3  TRP  51           3HE      TRP  51   0.855 -16.980  10.028
  375    HZ2  TRP  51           2HZ      TRP  51   0.092 -13.436   6.640
  376    HZ3  TRP  51           3HZ      TRP  51  -0.836 -15.245  10.374
  377    HH2  TRP  51           HH       TRP  51  -1.211 -13.506   8.719
  378    H    TRP  52           H        TRP  52   0.743 -19.066   6.177
  379    HA   TRP  52           HA       TRP  52  -1.516 -18.848   7.758
  380   1HB   TRP  52          2HB       TRP  52  -1.152 -19.450   4.785
  381   2HB   TRP  52          1HB       TRP  52  -2.769 -19.254   5.524
  382    HD1  TRP  52           HD       TRP  52  -0.197 -17.063   3.920
  383    HE1  TRP  52           1HE      TRP  52  -1.006 -14.634   4.158
  384    HE3  TRP  52           3HE      TRP  52  -3.682 -17.744   7.553
  385    HZ2  TRP  52           2HZ      TRP  52  -2.884 -13.215   5.687
  386    HZ3  TRP  52           3HZ      TRP  52  -4.899 -15.799   8.398
  387    HH2  TRP  52           HH       TRP  52  -4.509 -13.578   7.491
  388    H    GLU  53           H        GLU  53  -0.167 -21.796   6.334
  389    HA   GLU  53           HA       GLU  53  -2.359 -23.236   7.675
  390   1HB   GLU  53          2HB       GLU  53  -2.268 -23.450   5.135
  391   2HB   GLU  53          1HB       GLU  53  -0.714 -24.286   5.348
  392   1HG   GLU  53          2HG       GLU  53  -2.405 -25.978   5.123
  393   2HG   GLU  53          1HG       GLU  53  -1.980 -25.994   6.867
  394    H    LEU  54           H        LEU  54  -1.124 -22.782   9.594
  395    HA   LEU  54           HA       LEU  54   0.667 -24.937  10.198
  396   1HB   LEU  54          2HB       LEU  54   1.928 -22.882   9.183
  397   2HB   LEU  54          1HB       LEU  54   1.574 -22.060  10.719
  398    HG   LEU  54           HG       LEU  54   2.969 -24.803  10.541
  399   1HD1  LEU  54          1HD1      LEU  54   4.238 -23.196   9.125
  400   2HD1  LEU  54          2HD1      LEU  54   5.154 -23.605  10.626
  401   3HD1  LEU  54          3HD1      LEU  54   4.297 -22.020  10.492
  402   1HD2  LEU  54          1HD2      LEU  54   2.193 -24.210  12.824
  403   2HD2  LEU  54          2HD2      LEU  54   2.996 -22.595  12.696
  404   3HD2  LEU  54          3HD2      LEU  54   3.992 -24.101  12.742
  Start of MODEL   33
    1   1H    VAL   1          1HT       VAL   1   7.102  18.308   8.230
    2   2H    VAL   1          2HT       VAL   1   6.481  17.641   6.810
    3   3H    VAL   1          3HT       VAL   1   6.274  16.855   8.283
    4    HA   VAL   1           HA       VAL   1   4.755  18.309   9.091
    5    HB   VAL   1           HB       VAL   1   6.035  20.300   8.589
    6   1HG1  VAL   1          1HG1      VAL   1   5.786  21.480   6.430
    7   2HG1  VAL   1          2HG1      VAL   1   4.867  20.114   5.734
    8   3HG1  VAL   1          3HG1      VAL   1   6.604  19.904   6.184
    9   1HG2  VAL   1          1HG2      VAL   1   3.664  20.489   9.374
   10   2HG2  VAL   1          2HG2      VAL   1   3.104  20.567   7.658
   11   3HG2  VAL   1          3HG2      VAL   1   4.166  21.845   8.318
   12    H    VAL   2           H        VAL   2   2.495  18.082   8.705
   13    HA   VAL   2           HA       VAL   2   1.727  17.524   5.975
   14    HB   VAL   2           HB       VAL   2   2.198  15.373   7.032
   15   1HG1  VAL   2          1HG1      VAL   2   0.005  16.149   9.067
   16   2HG1  VAL   2          2HG1      VAL   2   1.763  15.961   9.428
   17   3HG1  VAL   2          3HG1      VAL   2   0.785  14.549   8.900
   18   1HG2  VAL   2          1HG2      VAL   2  -0.818  15.864   6.591
   19   2HG2  VAL   2          2HG2      VAL   2   0.053  14.303   6.474
   20   3HG2  VAL   2          3HG2      VAL   2   0.404  15.606   5.285
   21    H    SER   3           H        SER   3  -0.409  18.248   5.511
   22    HA   SER   3           HA       SER   3  -1.432  19.991   7.654
   23   1HB   SER   3          2HB       SER   3  -0.574  20.975   5.434
   24   2HB   SER   3          1HB       SER   3  -2.045  20.285   4.685
   25    HG   SER   3           HG       SER   3  -2.446  22.373   5.386
   26    H    HIS   4           H        HIS   4  -2.571  17.901   4.946
   27    HA   HIS   4           HA       HIS   4  -4.718  17.001   6.732
   28   1HB   HIS   4          2HB       HIS   4  -4.947  17.605   3.734
   29   2HB   HIS   4          1HB       HIS   4  -6.084  16.538   4.606
   30    HD1  HIS   4           1HD      HIS   4  -7.004  17.947   7.019
   31    HD2  HIS   4           2HD      HIS   4  -6.438  19.853   3.322
   32    HE1  HIS   4           1HE      HIS   4  -8.493  19.944   7.002
   33    HE2  HIS   4           2HE      HIS   4  -8.195  21.038   4.744
   34    H    PHE   5           H        PHE   5  -5.394  14.806   6.265
   35    HA   PHE   5           HA       PHE   5  -3.200  13.232   5.136
   36   1HB   PHE   5          2HB       PHE   5  -5.186  12.820   7.299
   37   2HB   PHE   5          1HB       PHE   5  -5.178  11.441   6.148
   38    HD1  PHE   5           1HD      PHE   5  -3.332  13.145   8.753
   39    HD2  PHE   5           2HD      PHE   5  -3.074  10.316   5.597
   40    HE1  PHE   5           1HE      PHE   5  -1.272  12.248   9.730
   41    HE2  PHE   5           2HE      PHE   5  -1.000   9.427   6.562
   42    HZ   PHE   5           HZ       PHE   5  -0.096  10.390   8.625
   43    H    ASN   6           H        ASN   6  -3.266  12.613   3.144
   44    HA   ASN   6           HA       ASN   6  -5.850  12.249   1.807
   45   1HB   ASN   6          2HB       ASN   6  -3.255  13.588   0.820
   46   2HB   ASN   6          1HB       ASN   6  -4.534  13.018  -0.298
   47   1HD2  ASN   6          1HD2      ASN   6  -5.664  14.734  -1.055
   48   2HD2  ASN   6          2HD2      ASN   6  -6.125  16.119  -0.107
   49    H    ASP   7           H        ASP   7  -5.658  10.828  -0.078
   50    HA   ASP   7           HA       ASP   7  -3.823   8.612   0.406
   51   1HB   ASP   7          2HB       ASP   7  -6.213   8.938  -1.513
   52   2HB   ASP   7          1HB       ASP   7  -5.272   7.422  -1.273
   53    H    CYS   8           H        CYS   8  -3.430   7.661  -2.130
   54    HA   CYS   8           HA       CYS   8  -1.783   9.409  -3.516
   55   1HB   CYS   8          2HB       CYS   8  -3.353   6.964  -4.403
   56   2HB   CYS   8          1HB       CYS   8  -2.192   7.816  -5.457
   57    HA   PRO   9           HA       PRO   9  -5.209  11.837  -4.558
   58   1HB   PRO   9          2HB       PRO   9  -3.291  13.263  -6.484
   59   2HB   PRO   9          1HB       PRO   9  -4.517  13.992  -5.371
   60   1HG   PRO   9          2HG       PRO   9  -1.903  13.874  -4.579
   61   2HG   PRO   9          1HG       PRO   9  -3.179  13.318  -3.413
   62   1HD   PRO   9          2HD       PRO   9  -1.466  11.571  -5.278
   63   2HD   PRO   9          1HD       PRO   9  -1.822  11.394  -3.504
   64    H    LEU  10           H        LEU  10  -3.479  11.369  -7.662
   65    HA   LEU  10           HA       LEU  10  -5.809  11.944  -9.078
   66   1HB   LEU  10          2HB       LEU  10  -4.540  11.568 -11.093
   67   2HB   LEU  10          1HB       LEU  10  -3.631  12.496  -9.873
   68    HG   LEU  10           HG       LEU  10  -2.686   9.975  -9.298
   69   1HD1  LEU  10          1HD1      LEU  10  -2.163   8.847 -11.476
   70   2HD1  LEU  10          2HD1      LEU  10  -3.202  10.033 -12.349
   71   3HD1  LEU  10          3HD1      LEU  10  -3.940   8.879 -11.188
   72   1HD2  LEU  10          1HD2      LEU  10  -1.643  11.941 -11.431
   73   2HD2  LEU  10          2HD2      LEU  10  -0.676  10.637 -10.633
   74   3HD2  LEU  10          3HD2      LEU  10  -1.324  12.008  -9.661
   75    H    SER  11           H        SER  11  -4.399   8.835  -8.239
   76    HA   SER  11           HA       SER  11  -6.965   7.614  -8.733
   77   1HB   SER  11          2HB       SER  11  -5.598   7.192 -10.870
   78   2HB   SER  11          1HB       SER  11  -4.384   6.351  -9.853
   79    HG   SER  11           HG       SER  11  -5.639   4.698 -10.138
   80    H    HIS  12           H        HIS  12  -7.239   5.781  -7.346
   81    HA   HIS  12           HA       HIS  12  -5.408   5.683  -5.113
   82   1HB   HIS  12          2HB       HIS  12  -7.922   5.511  -4.818
   83   2HB   HIS  12          1HB       HIS  12  -7.908   4.002  -5.764
   84    HD1  HIS  12           1HD      HIS  12  -7.229   5.398  -2.407
   85    HD2  HIS  12           2HD      HIS  12  -6.766   1.712  -4.333
   86    HE1  HIS  12           1HE      HIS  12  -6.478   3.761  -0.652
   87    HE2  HIS  12           2HE      HIS  12  -6.415   1.489  -1.839
   88    H    ASP  13           H        ASP  13  -6.444   3.645  -7.863
   89    HA   ASP  13           HA       ASP  13  -4.342   1.753  -7.096
   90   1HB   ASP  13          2HB       ASP  13  -6.957   1.351  -8.611
   91   2HB   ASP  13          1HB       ASP  13  -5.594   0.174  -8.759
   92    H    GLY  14           H        GLY  14  -2.993   0.860  -8.454
   93   1HA   GLY  14          2HA       GLY  14  -2.688   1.238 -11.126
   94   2HA   GLY  14          1HA       GLY  14  -1.841   2.622 -10.323
   95    H    TYR  15           H        TYR  15  -0.572   1.853  -8.316
   96    HA   TYR  15           HA       TYR  15   1.423   0.146  -9.476
   97   1HB   TYR  15          2HB       TYR  15   1.902   2.434  -8.620
   98   2HB   TYR  15          1HB       TYR  15   1.439   1.914  -6.969
   99    HD1  TYR  15           1HD      TYR  15   3.888   1.452  -9.711
  100    HD2  TYR  15           2HD      TYR  15   2.894   0.581  -5.677
  101    HE1  TYR  15           1HE      TYR  15   6.161   0.652  -9.334
  102    HE2  TYR  15           2HE      TYR  15   5.150  -0.292  -5.299
  103    HH   TYR  15           HH       TYR  15   7.660  -0.011  -7.784
  104    H    CYS  16           H        CYS  16  -0.328   0.150  -6.306
  105    HA   CYS  16           HA       CYS  16   1.306  -2.094  -5.539
  106   1HB   CYS  16          2HB       CYS  16  -0.959  -0.742  -4.002
  107   2HB   CYS  16          1HB       CYS  16   0.156  -1.990  -3.368
  108    H    LEU  17           H        LEU  17   0.773  -4.185  -5.366
  109    HA   LEU  17           HA       LEU  17  -1.736  -5.009  -6.510
  110   1HB   LEU  17          2HB       LEU  17   0.861  -6.423  -5.804
  111   2HB   LEU  17          1HB       LEU  17  -0.622  -7.331  -6.192
  112    HG   LEU  17           HG       LEU  17  -0.791  -6.024  -8.362
  113   1HD1  LEU  17          1HD1      LEU  17   2.166  -5.399  -7.721
  114   2HD1  LEU  17          2HD1      LEU  17   0.856  -4.199  -8.013
  115   3HD1  LEU  17          3HD1      LEU  17   1.404  -5.257  -9.356
  116   1HD2  LEU  17          1HD2      LEU  17   0.739  -7.620  -9.506
  117   2HD2  LEU  17          2HD2      LEU  17  -0.182  -8.417  -8.180
  118   3HD2  LEU  17          3HD2      LEU  17   1.550  -7.978  -7.935
  119    H    HIS  18           H        HIS  18  -2.621  -7.081  -5.498
  120    HA   HIS  18           HA       HIS  18  -4.193  -7.612  -4.109
  121   1HB   HIS  18          2HB       HIS  18  -1.833  -7.711  -2.208
  122   2HB   HIS  18          1HB       HIS  18  -3.392  -8.573  -1.956
  123    HD1  HIS  18           1HD      HIS  18  -4.024 -10.245  -4.204
  124    HD2  HIS  18           2HD      HIS  18  -0.010  -9.463  -3.226
  125    HE1  HIS  18           1HE      HIS  18  -2.671 -12.051  -5.226
  126    HE2  HIS  18           2HE      HIS  18  -0.265 -11.584  -4.625
  127    H    ASP  19           H        ASP  19  -4.530  -4.912  -4.267
  128    HA   ASP  19           HA       ASP  19  -5.593  -3.271  -3.389
  129   1HB   ASP  19          2HB       ASP  19  -6.413  -5.327  -1.294
  130   2HB   ASP  19          1HB       ASP  19  -7.004  -3.634  -1.250
  131    H    GLY  20           H        GLY  20  -2.798  -3.364  -2.822
  132   1HA   GLY  20          2HA       GLY  20  -2.308  -2.460  -0.253
  133   2HA   GLY  20          1HA       GLY  20  -1.340  -2.116  -1.721
  134    H    VAL  21           H        VAL  21  -2.442  -0.612   0.808
  135    HA   VAL  21           HA       VAL  21  -3.972   1.520  -0.384
  136    HB   VAL  21           HB       VAL  21  -3.022   0.986   2.453
  137   1HG1  VAL  21          1HG1      VAL  21  -3.465   3.439   2.099
  138   2HG1  VAL  21          2HG1      VAL  21  -4.752   2.683   3.092
  139   3HG1  VAL  21          3HG1      VAL  21  -5.061   3.037   1.358
  140   1HG2  VAL  21          1HG2      VAL  21  -5.421   0.348   2.827
  141   2HG2  VAL  21          2HG2      VAL  21  -4.640  -0.751   1.642
  142   3HG2  VAL  21          3HG2      VAL  21  -5.750   0.560   1.072
  143    H    CYS  22           H        CYS  22  -2.786   3.107  -1.464
  144    HA   CYS  22           HA       CYS  22  -0.100   3.610  -0.452
  145   1HB   CYS  22          2HB       CYS  22   0.485   4.483  -2.541
  146   2HB   CYS  22          1HB       CYS  22  -0.341   2.931  -2.778
  147    H    MET  23           H        MET  23   0.673   5.463   0.298
  148    HA   MET  23           HA       MET  23  -0.875   7.902  -0.161
  149   1HB   MET  23          2HB       MET  23   0.441   7.053   2.475
  150   2HB   MET  23          1HB       MET  23  -0.142   8.711   2.103
  151   1HG   MET  23          2HG       MET  23  -2.458   7.876   1.873
  152   2HG   MET  23          1HG       MET  23  -1.921   6.211   2.242
  153   1HE   MET  23          1HE       MET  23  -4.183   8.110   3.555
  154   2HE   MET  23          2HE       MET  23  -4.103   7.482   5.238
  155   3HE   MET  23          3HE       MET  23  -3.942   6.355   3.849
  156    H    TYR  24           H        TYR  24   0.454   8.920  -1.574
  157    HA   TYR  24           HA       TYR  24   3.197   9.458  -0.710
  158   1HB   TYR  24          2HB       TYR  24   3.036   9.108  -3.134
  159   2HB   TYR  24          1HB       TYR  24   1.615  10.216  -3.232
  160    HD1  TYR  24           1HD      TYR  24   5.288  10.127  -2.519
  161    HD2  TYR  24           2HD      TYR  24   1.864  12.417  -3.578
  162    HE1  TYR  24           1HE      TYR  24   6.720  12.007  -3.038
  163    HE2  TYR  24           2HE      TYR  24   3.281  14.305  -4.116
  164    HH   TYR  24           HH       TYR  24   6.833  14.181  -3.739
  165    H    ILE  25           H        ILE  25   3.640  11.216   0.544
  166    HA   ILE  25           HA       ILE  25   1.461  13.123   0.906
  167    HB   ILE  25           HB       ILE  25   3.832  12.499   2.698
  168   1HG1  ILE  25          2HG1      ILE  25   1.682  11.805   4.165
  169   2HG1  ILE  25          1HG1      ILE  25   1.014  11.382   2.566
  170   1HG2  ILE  25          1HG2      ILE  25   2.446  13.918   4.281
  171   2HG2  ILE  25          2HG2      ILE  25   1.274  14.221   2.943
  172   3HG2  ILE  25          3HG2      ILE  25   2.973  14.837   2.825
  173   1HD1  ILE  25          1HD1      ILE  25   3.681  10.308   3.742
  174   2HD1  ILE  25          2HD1      ILE  25   2.952   9.815   2.178
  175   3HD1  ILE  25          3HD1      ILE  25   2.111   9.414   3.706
  176    H    GLU  26           H        GLU  26   1.766  14.887  -0.309
  177    HA   GLU  26           HA       GLU  26   4.085  15.276  -1.756
  178   1HB   GLU  26          2HB       GLU  26   1.763  15.832  -2.402
  179   2HB   GLU  26          1HB       GLU  26   1.727  17.156  -1.218
  180   1HG   GLU  26          2HG       GLU  26   3.751  17.017  -3.565
  181   2HG   GLU  26          1HG       GLU  26   2.106  17.704  -3.728
  182    H    ALA  27           H        ALA  27   2.919  16.970   1.129
  183    HA   ALA  27           HA       ALA  27   4.867  18.903   1.309
  184   1HB   ALA  27          1HB       ALA  27   4.190  18.988   3.714
  185   2HB   ALA  27          2HB       ALA  27   3.434  17.368   3.570
  186   3HB   ALA  27          3HB       ALA  27   2.744  18.773   2.666
  187    H    LEU  28           H        LEU  28   5.114  15.485   2.126
  188    HA   LEU  28           HA       LEU  28   7.606  15.922   3.560
  189   1HB   LEU  28          2HB       LEU  28   6.193  13.303   2.839
  190   2HB   LEU  28          1HB       LEU  28   7.558  13.525   3.982
  191    HG   LEU  28           HG       LEU  28   4.677  14.514   4.298
  192   1HD1  LEU  28          1HD1      LEU  28   6.336  12.448   5.883
  193   2HD1  LEU  28          2HD1      LEU  28   5.060  12.051   4.674
  194   3HD1  LEU  28          3HD1      LEU  28   4.623  12.910   6.199
  195   1HD2  LEU  28          1HD2      LEU  28   7.083  14.961   6.166
  196   2HD2  LEU  28          2HD2      LEU  28   5.350  15.234   6.598
  197   3HD2  LEU  28          3HD2      LEU  28   6.104  16.221   5.295
  198    H    ASP  29           H        ASP  29   6.370  14.669   0.528
  199    HA   ASP  29           HA       ASP  29   7.133  13.851  -1.256
  200   1HB   ASP  29          2HB       ASP  29   8.769  15.760  -1.289
  201   2HB   ASP  29          1HB       ASP  29   9.994  14.659  -0.566
  202    H    LYS  30           H        LYS  30   6.912  12.442   1.276
  203    HA   LYS  30           HA       LYS  30   8.522  10.065   0.633
  204   1HB   LYS  30          2HB       LYS  30   7.356  10.871   3.352
  205   2HB   LYS  30          1HB       LYS  30   8.333   9.414   2.990
  206   1HG   LYS  30          2HG       LYS  30   9.288  12.328   2.987
  207   2HG   LYS  30          1HG       LYS  30   9.711  11.027   4.144
  208   1HD   LYS  30          2HD       LYS  30  10.756   9.744   2.192
  209   2HD   LYS  30          1HD       LYS  30  10.386  11.154   1.156
  210   1HE   LYS  30          2HE       LYS  30  11.811  12.609   2.747
  211   2HE   LYS  30          1HE       LYS  30  12.366  11.076   3.531
  212   1HZ   LYS  30          1HZ       LYS  30  12.664  11.904   0.689
  213   2HZ   LYS  30          2HZ       LYS  30  13.011  10.362   1.209
  214   3HZ   LYS  30          3HZ       LYS  30  13.902  11.682   1.832
  215    H    TYR  31           H        TYR  31   7.499   8.032   0.933
  216    HA   TYR  31           HA       TYR  31   4.604   8.177   1.126
  217   1HB   TYR  31          2HB       TYR  31   4.009   7.200  -0.891
  218   2HB   TYR  31          1HB       TYR  31   5.147   8.523  -1.270
  219    HD1  TYR  31           1HD      TYR  31   4.374   5.117  -1.634
  220    HD2  TYR  31           2HD      TYR  31   7.571   7.891  -1.717
  221    HE1  TYR  31           1HE      TYR  31   5.627   3.576  -3.038
  222    HE2  TYR  31           2HE      TYR  31   8.887   6.346  -3.115
  223    HH   TYR  31           HH       TYR  31   7.612   3.213  -4.177
  224    H    ALA  32           H        ALA  32   3.460   6.172   1.167
  225    HA   ALA  32           HA       ALA  32   4.999   3.838   1.903
  226   1HB   ALA  32          1HB       ALA  32   3.710   3.564   4.076
  227   2HB   ALA  32          2HB       ALA  32   3.013   5.209   3.819
  228   3HB   ALA  32          3HB       ALA  32   4.779   5.010   4.091
  229    H    CYS  33           H        CYS  33   4.048   2.059   1.082
  230    HA   CYS  33           HA       CYS  33   1.157   2.189   0.593
  231   1HB   CYS  33          2HB       CYS  33   2.682   1.829  -1.421
  232   2HB   CYS  33          1HB       CYS  33   3.076   0.232  -0.733
  233    H    ASN  34           H        ASN  34  -0.061   1.024   1.962
  234    HA   ASN  34           HA       ASN  34   1.329  -0.850   3.727
  235   1HB   ASN  34          2HB       ASN  34   0.002   1.090   4.635
  236   2HB   ASN  34          1HB       ASN  34  -1.475   0.398   3.897
  237   1HD2  ASN  34          1HD2      ASN  34  -2.693  -0.538   5.562
  238   2HD2  ASN  34          2HD2      ASN  34  -2.022  -1.499   6.844
  239    H    CYS  35           H        CYS  35   0.902  -3.006   3.795
  240    HA   CYS  35           HA       CYS  35  -1.155  -4.012   1.965
  241   1HB   CYS  35          2HB       CYS  35   1.398  -4.162   1.340
  242   2HB   CYS  35          1HB       CYS  35   1.451  -5.469   2.559
  243    H    VAL  36           H        VAL  36  -1.845  -6.294   2.549
  244    HA   VAL  36           HA       VAL  36  -2.372  -6.353   5.351
  245    HB   VAL  36           HB       VAL  36  -3.156  -8.744   3.824
  246   1HG1  VAL  36          1HG1      VAL  36  -3.975  -8.221   6.161
  247   2HG1  VAL  36          2HG1      VAL  36  -5.302  -8.206   4.955
  248   3HG1  VAL  36          3HG1      VAL  36  -4.633  -6.649   5.555
  249   1HG2  VAL  36          1HG2      VAL  36  -4.191  -5.950   3.043
  250   2HG2  VAL  36          2HG2      VAL  36  -5.025  -7.504   2.702
  251   3HG2  VAL  36          3HG2      VAL  36  -3.420  -7.194   1.968
  252    H    VAL  37           H        VAL  37  -2.251  -8.603   6.498
  253    HA   VAL  37           HA       VAL  37   0.444  -9.435   6.514
  254    HB   VAL  37           HB       VAL  37  -0.850  -9.295   8.514
  255   1HG1  VAL  37          1HG1      VAL  37  -2.615 -10.974   9.037
  256   2HG1  VAL  37          2HG1      VAL  37  -2.553 -11.605   7.363
  257   3HG1  VAL  37          3HG1      VAL  37  -3.115  -9.918   7.670
  258   1HG2  VAL  37          1HG2      VAL  37  -0.191 -11.446   9.504
  259   2HG2  VAL  37          2HG2      VAL  37   1.089 -10.897   8.358
  260   3HG2  VAL  37          3HG2      VAL  37  -0.060 -12.219   7.899
  261    H    GLY  38           H        GLY  38   1.423 -11.211   5.672
  262   1HA   GLY  38          2HA       GLY  38   1.561 -13.256   4.748
  263   2HA   GLY  38          1HA       GLY  38  -0.219 -13.308   4.553
  264    H    TYR  39           H        TYR  39   1.397 -10.519   3.361
  265    HA   TYR  39           HA       TYR  39   1.616 -11.633   0.677
  266   1HB   TYR  39          2HB       TYR  39   0.336  -8.923   1.410
  267   2HB   TYR  39          1HB       TYR  39   0.725  -9.468  -0.265
  268    HD1  TYR  39           1HD      TYR  39  -1.650  -9.604   2.410
  269    HD2  TYR  39           2HD      TYR  39  -0.371 -11.543  -1.138
  270    HE1  TYR  39           1HE      TYR  39  -3.807 -10.749   2.275
  271    HE2  TYR  39           2HE      TYR  39  -2.534 -12.689  -1.297
  272    HH   TYR  39           HH       TYR  39  -5.043 -12.300   1.178
  273    H    ILE  40           H        ILE  40   3.516 -11.066  -0.279
  274    HA   ILE  40           HA       ILE  40   5.183  -9.117   1.135
  275    HB   ILE  40           HB       ILE  40   7.099 -10.625   1.038
  276   1HG1  ILE  40          2HG1      ILE  40   4.982 -12.716   0.250
  277   2HG1  ILE  40          1HG1      ILE  40   6.386 -12.151  -0.727
  278   1HG2  ILE  40          1HG2      ILE  40   5.663 -10.208   3.074
  279   2HG2  ILE  40          2HG2      ILE  40   6.507 -11.794   3.067
  280   3HG2  ILE  40          3HG2      ILE  40   4.748 -11.718   2.681
  281   1HD1  ILE  40          1HD1      ILE  40   6.516 -13.761   1.906
  282   2HD1  ILE  40          2HD1      ILE  40   7.943 -13.072   1.042
  283   3HD1  ILE  40          3HD1      ILE  40   6.927 -14.323   0.248
  284    H    GLY  41           H        GLY  41   7.250  -8.718  -0.025
  285   1HA   GLY  41          2HA       GLY  41   8.401  -8.508  -2.009
  286   2HA   GLY  41          1HA       GLY  41   6.874  -8.701  -2.940
  287    H    GLU  42           H        GLU  42   8.571  -6.606  -3.574
  288    HA   GLU  42           HA       GLU  42   8.161  -4.345  -1.959
  289   1HB   GLU  42          2HB       GLU  42   9.215  -4.712  -4.800
  290   2HB   GLU  42          1HB       GLU  42   9.105  -3.111  -4.005
  291   1HG   GLU  42          2HG       GLU  42  10.542  -3.924  -2.113
  292   2HG   GLU  42          1HG       GLU  42  10.748  -5.499  -2.968
  293    H    ARG  43           H        ARG  43   6.583  -5.458  -4.909
  294    HA   ARG  43           HA       ARG  43   4.806  -3.165  -4.940
  295   1HB   ARG  43          2HB       ARG  43   4.104  -5.272  -6.824
  296   2HB   ARG  43          1HB       ARG  43   4.575  -3.595  -7.125
  297   1HG   ARG  43          2HG       ARG  43   6.578  -5.876  -6.603
  298   2HG   ARG  43          1HG       ARG  43   5.909  -5.554  -8.180
  299   1HD   ARG  43          2HD       ARG  43   7.361  -3.274  -6.712
  300   2HD   ARG  43          1HD       ARG  43   8.233  -4.527  -7.691
  301    HE   ARG  43           HE       ARG  43   6.039  -3.550  -9.261
  302   1HH1  ARG  43          1HH1      ARG  43   9.118  -2.234  -7.958
  303   2HH1  ARG  43          2HH1      ARG  43   9.324  -1.233  -9.346
  304   1HH2  ARG  43          1HH2      ARG  43   6.711  -2.486 -11.235
  305   2HH2  ARG  43          2HH2      ARG  43   8.151  -1.570 -11.245
  306    H    CYS  44           H        CYS  44   4.977  -5.702  -3.018
  307    HA   CYS  44           HA       CYS  44   3.838  -7.137  -2.029
  308   1HB   CYS  44          2HB       CYS  44   2.679  -4.897  -1.382
  309   2HB   CYS  44          1HB       CYS  44   1.270  -5.563  -2.252
  310    H    GLN  45           H        GLN  45   4.244  -8.043  -4.464
  311    HA   GLN  45           HA       GLN  45   1.858  -8.881  -5.707
  312   1HB   GLN  45          2HB       GLN  45   4.627 -10.115  -6.106
  313   2HB   GLN  45          1HB       GLN  45   3.266 -10.022  -7.245
  314   1HG   GLN  45          2HG       GLN  45   3.605  -7.435  -7.212
  315   2HG   GLN  45          1HG       GLN  45   5.094  -7.721  -6.227
  316   1HE2  GLN  45          1HE2      GLN  45   3.492  -9.088  -9.139
  317   2HE2  GLN  45          2HE2      GLN  45   4.920  -9.036 -10.162
  318    H    TYR  46           H        TYR  46   3.972 -10.514  -3.336
  319    HA   TYR  46           HA       TYR  46   3.108 -13.094  -4.363
  320   1HB   TYR  46          2HB       TYR  46   5.259 -12.200  -2.373
  321   2HB   TYR  46          1HB       TYR  46   4.983 -13.916  -2.832
  322    HD1  TYR  46           1HD      TYR  46   6.050 -14.784  -4.655
  323    HD2  TYR  46           2HD      TYR  46   5.962 -10.563  -4.183
  324    HE1  TYR  46           1HE      TYR  46   7.809 -14.566  -6.319
  325    HE2  TYR  46           2HE      TYR  46   7.705 -10.329  -5.863
  326    HH   TYR  46           HH       TYR  46   9.308 -13.159  -7.265
  327    H    ARG  47           H        ARG  47   2.382 -14.779  -2.943
  328    HA   ARG  47           HA       ARG  47   1.122 -13.841  -0.473
  329   1HB   ARG  47          2HB       ARG  47  -0.171 -15.074  -2.263
  330   2HB   ARG  47          1HB       ARG  47   0.865 -16.495  -1.976
  331   1HG   ARG  47          2HG       ARG  47  -0.005 -16.562   0.422
  332   2HG   ARG  47          1HG       ARG  47  -1.021 -15.134   0.039
  333   1HD   ARG  47          2HD       ARG  47  -2.217 -16.492  -1.735
  334   2HD   ARG  47          1HD       ARG  47  -1.202 -17.923  -1.282
  335    HE   ARG  47           HE       ARG  47  -2.724 -16.560   0.933
  336   1HH1  ARG  47          1HH1      ARG  47  -2.679 -19.433  -1.311
  337   2HH1  ARG  47          2HH1      ARG  47  -3.946 -20.163  -0.410
  338   1HH2  ARG  47          1HH2      ARG  47  -4.608 -17.506   1.748
  339   2HH2  ARG  47          2HH2      ARG  47  -5.150 -19.008   1.138
  340    H    ASP  48           H        ASP  48   1.682 -14.762   1.543
  341    HA   ASP  48           HA       ASP  48   4.201 -16.120   1.658
  342   1HB   ASP  48          2HB       ASP  48   3.300 -14.293   3.245
  343   2HB   ASP  48          1HB       ASP  48   2.286 -15.577   3.982
  344    H    LEU  49           H        LEU  49   3.923 -18.102   0.644
  345    HA   LEU  49           HA       LEU  49   1.711 -19.770   1.303
  346   1HB   LEU  49          2HB       LEU  49   2.782 -19.700  -0.959
  347   2HB   LEU  49          1HB       LEU  49   4.299 -20.317  -0.242
  348    HG   LEU  49           HG       LEU  49   3.149 -22.454   0.363
  349   1HD1  LEU  49          1HD1      LEU  49   0.908 -22.978  -0.621
  350   2HD1  LEU  49          2HD1      LEU  49   0.723 -21.263  -1.134
  351   3HD1  LEU  49          3HD1      LEU  49   0.792 -21.685   0.624
  352   1HD2  LEU  49          1HD2      LEU  49   2.862 -21.664  -2.601
  353   2HD2  LEU  49          2HD2      LEU  49   2.969 -23.337  -1.942
  354   3HD2  LEU  49          3HD2      LEU  49   4.377 -22.228  -1.795
  355    H    LYS  50           H        LYS  50   4.911 -19.299   2.553
  356    HA   LYS  50           HA       LYS  50   5.236 -21.802   3.816
  357   1HB   LYS  50          2HB       LYS  50   6.429 -19.022   4.167
  358   2HB   LYS  50          1HB       LYS  50   6.787 -20.318   5.330
  359   1HG   LYS  50          2HG       LYS  50   8.602 -20.339   3.887
  360   2HG   LYS  50          1HG       LYS  50   7.626 -21.777   3.507
  361   1HD   LYS  50          2HD       LYS  50   8.408 -20.968   1.459
  362   2HD   LYS  50          1HD       LYS  50   6.685 -20.495   1.486
  363   1HE   LYS  50          2HE       LYS  50   7.372 -18.125   2.066
  364   2HE   LYS  50          1HE       LYS  50   9.101 -18.652   2.112
  365   1HZ   LYS  50          1HZ       LYS  50   8.877 -19.297  -0.258
  366   2HZ   LYS  50          2HZ       LYS  50   8.529 -17.661  -0.014
  367   3HZ   LYS  50          3HZ       LYS  50   7.288 -18.757  -0.246
  368    H    TRP  51           H        TRP  51   3.500 -18.869   4.659
  369    HA   TRP  51           HA       TRP  51   2.840 -19.734   7.285
  370   1HB   TRP  51          2HB       TRP  51   3.039 -17.392   6.742
  371   2HB   TRP  51          1HB       TRP  51   1.848 -17.530   5.399
  372    HD1  TRP  51           HD       TRP  51   1.649 -18.461   9.207
  373    HE1  TRP  51           1HE      TRP  51  -0.409 -17.273  10.192
  374    HE3  TRP  51           3HE      TRP  51   0.184 -15.902   5.095
  375    HZ2  TRP  51           2HZ      TRP  51  -2.564 -15.699   9.219
  376    HZ3  TRP  51           3HZ      TRP  51  -1.828 -14.486   5.226
  377    HH2  TRP  51           HH       TRP  51  -3.163 -14.384   7.242
  378    H    TRP  52           H        TRP  52   1.188 -19.893   4.134
  379    HA   TRP  52           HA       TRP  52  -1.166 -20.941   5.406
  380   1HB   TRP  52          2HB       TRP  52  -0.413 -20.385   2.518
  381   2HB   TRP  52          1HB       TRP  52  -1.917 -21.273   2.946
  382    HD1  TRP  52           HD       TRP  52  -0.654 -17.671   2.869
  383    HE1  TRP  52           1HE      TRP  52  -2.374 -16.177   4.112
  384    HE3  TRP  52           3HE      TRP  52  -3.736 -21.260   4.708
  385    HZ2  TRP  52           2HZ      TRP  52  -4.851 -16.468   5.353
  386    HZ3  TRP  52           3HZ      TRP  52  -5.745 -20.590   5.923
  387    HH2  TRP  52           HH       TRP  52  -6.297 -18.240   6.251
  388    H    GLU  53           H        GLU  53   1.588 -22.479   3.803
  389    HA   GLU  53           HA       GLU  53   0.217 -25.019   4.002
  390   1HB   GLU  53          2HB       GLU  53   1.625 -24.375   2.020
  391   2HB   GLU  53          1HB       GLU  53   3.051 -24.484   3.073
  392   1HG   GLU  53          2HG       GLU  53   2.833 -26.542   1.799
  393   2HG   GLU  53          1HG       GLU  53   2.486 -26.939   3.513
  394    H    LEU  54           H        LEU  54  -0.013 -24.389   6.317
  395    HA   LEU  54           HA       LEU  54   1.951 -25.918   7.856
  396   1HB   LEU  54          2HB       LEU  54   0.286 -23.472   8.681
  397   2HB   LEU  54          1HB       LEU  54   1.179 -24.506   9.838
  398    HG   LEU  54           HG       LEU  54   2.466 -22.841   7.610
  399   1HD1  LEU  54          1HD1      LEU  54   3.238 -21.384   9.487
  400   2HD1  LEU  54          2HD1      LEU  54   2.293 -22.394  10.659
  401   3HD1  LEU  54          3HD1      LEU  54   1.435 -21.440   9.400
  402   1HD2  LEU  54          1HD2      LEU  54   3.846 -24.851   8.178
  403   2HD2  LEU  54          2HD2      LEU  54   3.725 -24.453   9.933
  404   3HD2  LEU  54          3HD2      LEU  54   4.613 -23.355   8.810
  Start of MODEL   34
    1   1H    VAL   1          1HT       VAL   1   6.329  19.258   7.485
    2   2H    VAL   1          2HT       VAL   1   4.767  19.495   6.916
    3   3H    VAL   1          3HT       VAL   1   5.740  18.297   6.258
    4    HA   VAL   1           HA       VAL   1   5.487  16.894   8.008
    5    HB   VAL   1           HB       VAL   1   6.494  18.410   9.545
    6   1HG1  VAL   1          1HG1      VAL   1   5.051  20.450   9.215
    7   2HG1  VAL   1          2HG1      VAL   1   5.213  19.963  10.933
    8   3HG1  VAL   1          3HG1      VAL   1   3.693  19.604  10.059
    9   1HG2  VAL   1          1HG2      VAL   1   5.428  17.546  11.593
   10   2HG2  VAL   1          2HG2      VAL   1   5.568  16.262  10.346
   11   3HG2  VAL   1          3HG2      VAL   1   3.972  17.041  10.675
   12    H    VAL   2           H        VAL   2   3.781  15.581   7.675
   13    HA   VAL   2           HA       VAL   2   1.122  16.577   8.053
   14    HB   VAL   2           HB       VAL   2   1.925  15.203   5.454
   15   1HG1  VAL   2          1HG1      VAL   2  -0.519  15.620   4.900
   16   2HG1  VAL   2          2HG1      VAL   2  -0.794  16.163   6.589
   17   3HG1  VAL   2          3HG1      VAL   2  -0.322  14.450   6.241
   18   1HG2  VAL   2          1HG2      VAL   2   2.543  17.595   5.326
   19   2HG2  VAL   2          2HG2      VAL   2   0.954  18.070   6.044
   20   3HG2  VAL   2          3HG2      VAL   2   1.010  17.327   4.411
   21    H    SER   3           H        SER   3   0.545  15.165   9.636
   22    HA   SER   3           HA       SER   3   1.480  12.413   9.400
   23   1HB   SER   3          2HB       SER   3   1.660  13.970  11.501
   24   2HB   SER   3          1HB       SER   3  -0.031  13.502  11.812
   25    HG   SER   3           HG       SER   3   0.700  11.323  11.811
   26    H    HIS   4           H        HIS   4  -0.229  12.570   7.452
   27    HA   HIS   4           HA       HIS   4  -2.690  11.348   8.485
   28   1HB   HIS   4          2HB       HIS   4  -2.505  13.334   6.174
   29   2HB   HIS   4          1HB       HIS   4  -3.982  12.425   6.633
   30    HD1  HIS   4           1HD      HIS   4  -3.882  15.464   6.577
   31    HD2  HIS   4           2HD      HIS   4  -3.381  13.189  10.062
   32    HE1  HIS   4           1HE      HIS   4  -4.586  16.925   8.524
   33    HE2  HIS   4           2HE      HIS   4  -4.342  15.517  10.578
   34    H    PHE   5           H        PHE   5  -3.760   9.890   7.079
   35    HA   PHE   5           HA       PHE   5  -2.015   8.624   5.108
   36   1HB   PHE   5          2HB       PHE   5  -4.568   7.714   6.571
   37   2HB   PHE   5          1HB       PHE   5  -3.873   6.816   5.187
   38    HD1  PHE   5           1HD      PHE   5  -2.097   5.365   5.463
   39    HD2  PHE   5           2HD      PHE   5  -3.212   7.929   8.650
   40    HE1  PHE   5           1HE      PHE   5  -0.567   4.169   6.946
   41    HE2  PHE   5           2HE      PHE   5  -1.688   6.735  10.151
   42    HZ   PHE   5           HZ       PHE   5  -0.337   4.865   9.295
   43    H    ASN   6           H        ASN   6  -2.530   8.729   2.948
   44    HA   ASN   6           HA       ASN   6  -5.054  10.079   2.257
   45   1HB   ASN   6          2HB       ASN   6  -2.422   9.715   0.731
   46   2HB   ASN   6          1HB       ASN   6  -3.945  10.305  -0.035
   47   1HD2  ASN   6          1HD2      ASN   6  -2.332  12.129  -0.492
   48   2HD2  ASN   6          2HD2      ASN   6  -2.390  13.433   0.652
   49    H    ASP   7           H        ASP   7  -6.397   9.201   0.601
   50    HA   ASP   7           HA       ASP   7  -6.312   6.317   0.639
   51   1HB   ASP   7          2HB       ASP   7  -8.425   8.357  -0.159
   52   2HB   ASP   7          1HB       ASP   7  -8.628   6.588  -0.412
   53    H    CYS   8           H        CYS   8  -5.731   5.027  -0.882
   54    HA   CYS   8           HA       CYS   8  -4.651   6.027  -3.231
   55   1HB   CYS   8          2HB       CYS   8  -3.837   4.111  -1.868
   56   2HB   CYS   8          1HB       CYS   8  -5.145   3.105  -2.541
   57    HA   PRO   9           HA       PRO   9  -8.153   4.402  -5.757
   58   1HB   PRO   9          2HB       PRO   9 -10.431   4.837  -3.759
   59   2HB   PRO   9          1HB       PRO   9 -10.380   3.700  -5.166
   60   1HG   PRO   9          2HG       PRO   9  -9.930   2.747  -2.644
   61   2HG   PRO   9          1HG       PRO   9  -8.803   2.243  -3.979
   62   1HD   PRO   9          2HD       PRO   9  -8.374   4.490  -1.912
   63   2HD   PRO   9          1HD       PRO   9  -7.220   3.184  -2.445
   64    H    LEU  10           H        LEU  10  -8.578   6.950  -3.372
   65    HA   LEU  10           HA       LEU  10  -9.959   8.712  -5.095
   66   1HB   LEU  10          2HB       LEU  10 -10.070   8.760  -2.593
   67   2HB   LEU  10          1HB       LEU  10  -8.354   9.250  -2.536
   68    HG   LEU  10           HG       LEU  10  -8.961  11.366  -3.788
   69   1HD1  LEU  10          1HD1      LEU  10 -11.387  12.033  -3.881
   70   2HD1  LEU  10          2HD1      LEU  10 -11.858  10.371  -3.389
   71   3HD1  LEU  10          3HD1      LEU  10 -11.036  10.646  -4.971
   72   1HD2  LEU  10          1HD2      LEU  10 -10.056  12.468  -1.846
   73   2HD2  LEU  10          2HD2      LEU  10  -8.781  11.312  -1.302
   74   3HD2  LEU  10          3HD2      LEU  10 -10.523  10.861  -1.180
   75    H    SER  11           H        SER  11  -6.570   8.425  -4.082
   76    HA   SER  11           HA       SER  11  -5.700  10.517  -5.807
   77   1HB   SER  11          2HB       SER  11  -4.593   9.758  -3.628
   78   2HB   SER  11          1HB       SER  11  -3.950   8.368  -4.544
   79    HG   SER  11           HG       SER  11  -3.411  11.130  -4.768
   80    H    HIS  12           H        HIS  12  -3.854  10.063  -7.387
   81    HA   HIS  12           HA       HIS  12  -4.881   8.153  -9.307
   82   1HB   HIS  12          2HB       HIS  12  -4.187  10.576  -9.834
   83   2HB   HIS  12          1HB       HIS  12  -2.498  10.041  -9.654
   84    HD1  HIS  12           1HD      HIS  12  -1.709   9.929 -12.009
   85    HD2  HIS  12           2HD      HIS  12  -5.619   8.459 -11.725
   86    HE1  HIS  12           1HE      HIS  12  -2.383   9.155 -14.332
   87    HE2  HIS  12           2HE      HIS  12  -4.757   8.334 -14.120
   88    H    ASP  13           H        ASP  13  -4.159   6.079  -9.415
   89    HA   ASP  13           HA       ASP  13  -1.890   5.325  -7.939
   90   1HB   ASP  13          2HB       ASP  13  -2.558   3.000  -8.703
   91   2HB   ASP  13          1HB       ASP  13  -3.825   3.927  -7.840
   92    H    GLY  14           H        GLY  14  -0.277   3.830  -8.651
   93   1HA   GLY  14          2HA       GLY  14   0.349   3.602 -11.403
   94   2HA   GLY  14          1HA       GLY  14   1.432   4.753 -10.533
   95    H    TYR  15           H        TYR  15   2.145   3.824  -8.314
   96    HA   TYR  15           HA       TYR  15   3.700   1.600  -9.019
   97   1HB   TYR  15          2HB       TYR  15   4.485   3.605  -7.742
   98   2HB   TYR  15          1HB       TYR  15   3.473   3.094  -6.356
   99    HD1  TYR  15           1HD      TYR  15   5.765   1.152  -8.661
  100    HD2  TYR  15           2HD      TYR  15   4.969   2.565  -4.737
  101    HE1  TYR  15           1HE      TYR  15   7.620  -0.181  -7.812
  102    HE2  TYR  15           2HE      TYR  15   6.846   1.246  -3.878
  103    HH   TYR  15           HH       TYR  15   8.789   0.169  -4.562
  104    H    CYS  16           H        CYS  16   1.001   1.878  -6.620
  105    HA   CYS  16           HA       CYS  16   1.725  -0.778  -5.682
  106   1HB   CYS  16          2HB       CYS  16  -0.540   1.066  -4.812
  107   2HB   CYS  16          1HB       CYS  16  -0.032  -0.448  -4.001
  108    H    LEU  17           H        LEU  17   1.155  -2.359  -7.096
  109    HA   LEU  17           HA       LEU  17  -1.406  -2.217  -8.384
  110   1HB   LEU  17          2HB       LEU  17  -0.732  -3.851  -9.853
  111   2HB   LEU  17          1HB       LEU  17   0.633  -2.735  -9.649
  112    HG   LEU  17           HG       LEU  17   0.392  -5.501  -8.307
  113   1HD1  LEU  17          1HD1      LEU  17   2.030  -6.198 -10.081
  114   2HD1  LEU  17          2HD1      LEU  17   1.913  -4.555 -10.816
  115   3HD1  LEU  17          3HD1      LEU  17   0.462  -5.629 -10.771
  116   1HD2  LEU  17          1HD2      LEU  17   1.941  -4.075  -7.002
  117   2HD2  LEU  17          2HD2      LEU  17   2.782  -3.547  -8.517
  118   3HD2  LEU  17          3HD2      LEU  17   2.882  -5.259  -7.960
  119    H    HIS  18           H        HIS  18  -2.677  -4.164  -8.694
  120    HA   HIS  18           HA       HIS  18  -4.225  -5.404  -7.938
  121   1HB   HIS  18          2HB       HIS  18  -2.163  -6.932  -7.693
  122   2HB   HIS  18          1HB       HIS  18  -2.348  -6.708  -5.935
  123    HD1  HIS  18           1HD      HIS  18  -3.810  -8.326  -8.930
  124    HD2  HIS  18           2HD      HIS  18  -4.842  -7.921  -4.892
  125    HE1  HIS  18           1HE      HIS  18  -5.744  -9.896  -8.516
  126    HE2  HIS  18           2HE      HIS  18  -6.323  -9.655  -6.062
  127    H    ASP  19           H        ASP  19  -3.824  -2.882  -6.526
  128    HA   ASP  19           HA       ASP  19  -4.778  -1.687  -5.086
  129   1HB   ASP  19          2HB       ASP  19  -6.842  -3.119  -5.494
  130   2HB   ASP  19          1HB       ASP  19  -6.468  -3.945  -3.942
  131    H    GLY  20           H        GLY  20  -2.724  -1.382  -4.203
  132   1HA   GLY  20          2HA       GLY  20  -2.533  -2.402  -1.438
  133   2HA   GLY  20          1HA       GLY  20  -1.215  -1.699  -2.436
  134    H    VAL  21           H        VAL  21  -1.321  -0.547  -0.065
  135    HA   VAL  21           HA       VAL  21  -3.033   1.787  -0.265
  136    HB   VAL  21           HB       VAL  21  -1.198   0.715   1.868
  137   1HG1  VAL  21          1HG1      VAL  21  -0.983   3.205   1.950
  138   2HG1  VAL  21          2HG1      VAL  21  -2.052   2.634   3.271
  139   3HG1  VAL  21          3HG1      VAL  21  -2.774   3.384   1.805
  140   1HG2  VAL  21          1HG2      VAL  21  -3.477  -0.364   1.585
  141   2HG2  VAL  21          2HG2      VAL  21  -4.236   1.259   1.735
  142   3HG2  VAL  21          3HG2      VAL  21  -3.340   0.554   3.128
  143    H    CYS  22           H        CYS  22  -2.250   3.078  -1.900
  144    HA   CYS  22           HA       CYS  22   0.565   3.802  -1.778
  145   1HB   CYS  22          2HB       CYS  22   0.311   4.989  -3.789
  146   2HB   CYS  22          1HB       CYS  22  -0.388   3.369  -3.997
  147    H    MET  23           H        MET  23   1.332   5.720  -1.075
  148    HA   MET  23           HA       MET  23  -0.616   7.850  -0.558
  149   1HB   MET  23          2HB       MET  23   1.599   6.992   1.370
  150   2HB   MET  23          1HB       MET  23   0.580   8.455   1.543
  151   1HG   MET  23          2HG       MET  23  -1.457   6.949   1.657
  152   2HG   MET  23          1HG       MET  23  -0.369   5.533   1.662
  153   1HE   MET  23          1HE       MET  23   1.511   5.601   4.989
  154   2HE   MET  23          2HE       MET  23   2.130   6.257   3.445
  155   3HE   MET  23          3HE       MET  23   1.136   4.758   3.446
  156    H    TYR  24           H        TYR  24  -0.041   9.587  -1.702
  157    HA   TYR  24           HA       TYR  24   2.748  10.420  -1.432
  158   1HB   TYR  24          2HB       TYR  24   2.421   9.937  -3.845
  159   2HB   TYR  24          1HB       TYR  24   0.884  10.882  -3.845
  160    HD1  TYR  24           1HD      TYR  24   1.004  12.905  -4.732
  161    HD2  TYR  24           2HD      TYR  24   4.506  11.334  -2.905
  162    HE1  TYR  24           1HE      TYR  24   2.257  14.803  -5.542
  163    HE2  TYR  24           2HE      TYR  24   5.788  13.236  -3.711
  164    HH   TYR  24           HH       TYR  24   5.679  15.349  -4.755
  165    H    ILE  25           H        ILE  25   2.875  12.258  -0.264
  166    HA   ILE  25           HA       ILE  25   0.573  14.060  -0.268
  167    HB   ILE  25           HB       ILE  25   1.844  14.877   1.902
  168   1HG1  ILE  25          2HG1      ILE  25   3.470  12.859   1.779
  169   2HG1  ILE  25          1HG1      ILE  25   2.697  13.328   3.316
  170   1HG2  ILE  25          1HG2      ILE  25   0.050  13.780   3.199
  171   2HG2  ILE  25          2HG2      ILE  25  -0.311  12.707   1.799
  172   3HG2  ILE  25          3HG2      ILE  25  -0.558  14.488   1.658
  173   1HD1  ILE  25          1HD1      ILE  25   1.117  11.472   3.245
  174   2HD1  ILE  25          2HD1      ILE  25   2.782  10.854   3.044
  175   3HD1  ILE  25          3HD1      ILE  25   1.692  10.963   1.618
  176    H    GLU  26           H        GLU  26   1.076  15.747  -1.504
  177    HA   GLU  26           HA       GLU  26   3.659  16.129  -2.485
  178   1HB   GLU  26          2HB       GLU  26   2.556  18.312  -3.397
  179   2HB   GLU  26          1HB       GLU  26   2.062  16.720  -3.998
  180   1HG   GLU  26          2HG       GLU  26   0.122  18.226  -3.643
  181   2HG   GLU  26          1HG       GLU  26   0.003  16.709  -2.707
  182    H    ALA  27           H        ALA  27   2.010  17.583   0.234
  183    HA   ALA  27           HA       ALA  27   3.731  19.622   0.827
  184   1HB   ALA  27          1HB       ALA  27   3.033  19.219   3.210
  185   2HB   ALA  27          2HB       ALA  27   2.426  17.591   2.736
  186   3HB   ALA  27          3HB       ALA  27   1.635  19.072   2.081
  187    H    LEU  28           H        LEU  28   4.212  16.169   1.517
  188    HA   LEU  28           HA       LEU  28   6.739  16.745   2.830
  189   1HB   LEU  28          2HB       LEU  28   5.396  14.060   2.199
  190   2HB   LEU  28          1HB       LEU  28   6.865  14.312   3.197
  191    HG   LEU  28           HG       LEU  28   3.999  15.141   3.861
  192   1HD1  LEU  28          1HD1      LEU  28   6.046  13.338   5.304
  193   2HD1  LEU  28          2HD1      LEU  28   4.679  12.740   4.286
  194   3HD1  LEU  28          3HD1      LEU  28   4.344  13.647   5.805
  195   1HD2  LEU  28          1HD2      LEU  28   5.281  17.022   4.638
  196   2HD2  LEU  28          2HD2      LEU  28   6.639  15.960   5.213
  197   3HD2  LEU  28          3HD2      LEU  28   5.054  15.926   6.065
  198    H    ASP  29           H        ASP  29   5.445  15.275  -0.088
  199    HA   ASP  29           HA       ASP  29   6.161  14.862  -2.025
  200   1HB   ASP  29          2HB       ASP  29   7.221  17.093  -1.809
  201   2HB   ASP  29          1HB       ASP  29   8.771  16.286  -1.391
  202    H    LYS  30           H        LYS  30   6.499  12.921   0.125
  203    HA   LYS  30           HA       LYS  30   8.450  11.221  -1.255
  204   1HB   LYS  30          2HB       LYS  30   9.027  10.171   0.776
  205   2HB   LYS  30          1HB       LYS  30   9.202  11.937   0.930
  206   1HG   LYS  30          2HG       LYS  30   8.334  11.379   2.980
  207   2HG   LYS  30          1HG       LYS  30   6.871  11.917   2.098
  208   1HD   LYS  30          2HD       LYS  30   6.419   9.499   1.550
  209   2HD   LYS  30          1HD       LYS  30   7.820   9.004   2.541
  210   1HE   LYS  30          2HE       LYS  30   6.725   9.754   4.623
  211   2HE   LYS  30          1HE       LYS  30   5.441  10.617   3.686
  212   1HZ   LYS  30          1HZ       LYS  30   5.843   7.664   3.815
  213   2HZ   LYS  30          2HZ       LYS  30   4.744   8.484   2.795
  214   3HZ   LYS  30          3HZ       LYS  30   4.584   8.559   4.467
  215    H    TYR  31           H        TYR  31   8.012   9.088  -1.561
  216    HA   TYR  31           HA       TYR  31   5.140   8.594  -1.905
  217   1HB   TYR  31          2HB       TYR  31   7.667   7.964  -3.481
  218   2HB   TYR  31          1HB       TYR  31   6.379   6.723  -3.512
  219    HD1  TYR  31           1HD      TYR  31   7.215  10.156  -4.462
  220    HD2  TYR  31           2HD      TYR  31   4.242   7.141  -4.373
  221    HE1  TYR  31           1HE      TYR  31   5.949  11.371  -6.176
  222    HE2  TYR  31           2HE      TYR  31   2.951   8.353  -6.099
  223    HH   TYR  31           HH       TYR  31   4.055  11.485  -7.348
  224    H    ALA  32           H        ALA  32   4.153   6.879  -1.006
  225    HA   ALA  32           HA       ALA  32   5.893   4.760   0.007
  226   1HB   ALA  32          1HB       ALA  32   3.508   6.040   1.477
  227   2HB   ALA  32          2HB       ALA  32   5.241   6.206   1.936
  228   3HB   ALA  32          3HB       ALA  32   4.428   4.601   2.050
  229    H    CYS  33           H        CYS  33   5.323   2.778  -0.377
  230    HA   CYS  33           HA       CYS  33   2.525   2.212  -1.045
  231   1HB   CYS  33          2HB       CYS  33   4.377   1.722  -2.820
  232   2HB   CYS  33          1HB       CYS  33   4.918   0.418  -1.743
  233    H    ASN  34           H        ASN  34   1.491   1.116   0.523
  234    HA   ASN  34           HA       ASN  34   3.131  -0.283   2.537
  235   1HB   ASN  34          2HB       ASN  34   0.706   1.544   2.692
  236   2HB   ASN  34          1HB       ASN  34   0.896   0.254   3.932
  237   1HD2  ASN  34          1HD2      ASN  34   1.775   1.046   5.750
  238   2HD2  ASN  34          2HD2      ASN  34   3.059   2.232   5.820
  239    H    CYS  35           H        CYS  35   2.706  -2.280   3.087
  240    HA   CYS  35           HA       CYS  35   0.726  -3.676   1.474
  241   1HB   CYS  35          2HB       CYS  35   3.001  -4.819   3.164
  242   2HB   CYS  35          1HB       CYS  35   2.002  -5.706   1.991
  243    H    VAL  36           H        VAL  36  -0.397  -5.481   2.325
  244    HA   VAL  36           HA       VAL  36  -1.476  -5.174   4.933
  245    HB   VAL  36           HB       VAL  36  -1.790  -7.379   2.874
  246   1HG1  VAL  36          1HG1      VAL  36  -3.572  -6.499   5.243
  247   2HG1  VAL  36          2HG1      VAL  36  -2.798  -8.122   4.981
  248   3HG1  VAL  36          3HG1      VAL  36  -4.107  -7.568   3.903
  249   1HG2  VAL  36          1HG2      VAL  36  -3.850  -6.096   2.174
  250   2HG2  VAL  36          2HG2      VAL  36  -2.348  -5.214   1.783
  251   3HG2  VAL  36          3HG2      VAL  36  -3.334  -4.729   3.212
  252    H    VAL  37           H        VAL  37  -1.527  -7.105   6.430
  253    HA   VAL  37           HA       VAL  37   1.077  -8.207   6.771
  254    HB   VAL  37           HB       VAL  37  -0.128  -7.461   8.667
  255   1HG1  VAL  37          1HG1      VAL  37  -2.195  -9.672   8.045
  256   2HG1  VAL  37          2HG1      VAL  37  -2.482  -7.893   7.935
  257   3HG1  VAL  37          3HG1      VAL  37  -2.122  -8.656   9.519
  258   1HG2  VAL  37          1HG2      VAL  37   0.236  -9.422  10.100
  259   2HG2  VAL  37          2HG2      VAL  37   1.540  -9.336   8.863
  260   3HG2  VAL  37          3HG2      VAL  37   0.199 -10.533   8.689
  261    H    GLY  38           H        GLY  38   1.814 -10.172   6.237
  262   1HA   GLY  38          2HA       GLY  38   1.788 -12.227   5.358
  263   2HA   GLY  38          1HA       GLY  38   0.011 -12.159   5.140
  264    H    TYR  39           H        TYR  39   1.929  -9.521   3.918
  265    HA   TYR  39           HA       TYR  39   2.095 -10.717   1.282
  266   1HB   TYR  39          2HB       TYR  39   0.723  -8.068   2.019
  267   2HB   TYR  39          1HB       TYR  39   1.434  -8.322   0.386
  268    HD1  TYR  39           1HD      TYR  39  -1.178  -9.499   2.724
  269    HD2  TYR  39           2HD      TYR  39   0.476  -9.772  -1.176
  270    HE1  TYR  39           1HE      TYR  39  -3.202 -10.643   1.950
  271    HE2  TYR  39           2HE      TYR  39  -1.532 -10.909  -1.960
  272    HH   TYR  39           HH       TYR  39  -3.430 -11.912  -1.347
  273    H    ILE  40           H        ILE  40   4.047 -10.297   0.363
  274    HA   ILE  40           HA       ILE  40   5.673  -8.158   1.523
  275    HB   ILE  40           HB       ILE  40   7.667  -9.586   1.354
  276   1HG1  ILE  40          2HG1      ILE  40   5.612 -11.819   0.880
  277   2HG1  ILE  40          1HG1      ILE  40   6.816 -11.213  -0.299
  278   1HG2  ILE  40          1HG2      ILE  40   5.477 -10.581   3.259
  279   2HG2  ILE  40          2HG2      ILE  40   6.466  -9.089   3.473
  280   3HG2  ILE  40          3HG2      ILE  40   7.260 -10.702   3.481
  281   1HD1  ILE  40          1HD1      ILE  40   8.677 -11.921   1.271
  282   2HD1  ILE  40          2HD1      ILE  40   7.654 -13.287   0.687
  283   3HD1  ILE  40          3HD1      ILE  40   7.432 -12.654   2.356
  284    H    GLY  41           H        GLY  41   7.710  -7.872   0.281
  285   1HA   GLY  41          2HA       GLY  41   8.717  -7.413  -1.728
  286   2HA   GLY  41          1HA       GLY  41   7.161  -7.686  -2.596
  287    H    GLU  42           H        GLU  42   8.917  -5.224  -2.636
  288    HA   GLU  42           HA       GLU  42   7.830  -3.278  -0.967
  289   1HB   GLU  42          2HB       GLU  42   9.061  -3.033  -3.758
  290   2HB   GLU  42          1HB       GLU  42   8.740  -1.653  -2.674
  291   1HG   GLU  42          2HG       GLU  42  10.719  -3.965  -2.220
  292   2HG   GLU  42          1HG       GLU  42  11.101  -2.244  -2.568
  293    H    ARG  43           H        ARG  43   6.919  -4.366  -4.160
  294    HA   ARG  43           HA       ARG  43   4.740  -2.539  -4.437
  295   1HB   ARG  43          2HB       ARG  43   4.522  -3.661  -6.626
  296   2HB   ARG  43          1HB       ARG  43   6.200  -3.176  -6.279
  297   1HG   ARG  43          2HG       ARG  43   6.649  -5.632  -5.513
  298   2HG   ARG  43          1HG       ARG  43   5.012  -5.988  -6.130
  299   1HD   ARG  43          2HD       ARG  43   6.430  -6.597  -7.910
  300   2HD   ARG  43          1HD       ARG  43   5.839  -4.958  -8.402
  301    HE   ARG  43           HE       ARG  43   8.190  -4.361  -7.041
  302   1HH1  ARG  43          1HH1      ARG  43   7.347  -6.154  -9.971
  303   2HH1  ARG  43          2HH1      ARG  43   8.965  -6.178 -10.572
  304   1HH2  ARG  43          1HH2      ARG  43  10.387  -4.793  -7.655
  305   2HH2  ARG  43          2HH2      ARG  43  10.712  -5.242  -9.280
  306    H    CYS  44           H        CYS  44   4.908  -5.074  -2.448
  307    HA   CYS  44           HA       CYS  44   3.543  -6.396  -1.460
  308   1HB   CYS  44          2HB       CYS  44   1.328  -4.502  -2.309
  309   2HB   CYS  44          1HB       CYS  44   1.366  -5.537  -0.854
  310    H    GLN  45           H        GLN  45   3.933  -7.959  -3.468
  311    HA   GLN  45           HA       GLN  45   1.248  -8.666  -4.491
  312   1HB   GLN  45          2HB       GLN  45   3.933  -8.648  -5.781
  313   2HB   GLN  45          1HB       GLN  45   2.860 -10.017  -6.179
  314   1HG   GLN  45          2HG       GLN  45   1.002  -8.465  -6.775
  315   2HG   GLN  45          1HG       GLN  45   2.073  -7.058  -6.469
  316   1HE2  GLN  45          1HE2      GLN  45   4.474  -7.780  -7.705
  317   2HE2  GLN  45          2HE2      GLN  45   4.115  -7.707  -9.404
  318    H    TYR  46           H        TYR  46   4.113 -10.066  -2.833
  319    HA   TYR  46           HA       TYR  46   3.073 -12.678  -3.465
  320   1HB   TYR  46          2HB       TYR  46   5.522 -11.773  -1.854
  321   2HB   TYR  46          1HB       TYR  46   5.163 -13.480  -2.327
  322    HD1  TYR  46           1HD      TYR  46   4.980 -14.023  -4.753
  323    HD2  TYR  46           2HD      TYR  46   6.539 -10.315  -3.385
  324    HE1  TYR  46           1HE      TYR  46   6.136 -13.733  -6.884
  325    HE2  TYR  46           2HE      TYR  46   7.715 -10.012  -5.480
  326    HH   TYR  46           HH       TYR  46   7.548 -12.505  -8.066
  327    H    ARG  47           H        ARG  47   1.801 -13.907  -2.197
  328    HA   ARG  47           HA       ARG  47   1.255 -12.890   0.482
  329   1HB   ARG  47          2HB       ARG  47  -0.570 -13.387  -1.197
  330   2HB   ARG  47          1HB       ARG  47  -0.132 -15.113  -1.099
  331   1HG   ARG  47          2HG       ARG  47  -0.652 -15.017   1.418
  332   2HG   ARG  47          1HG       ARG  47  -1.103 -13.302   1.191
  333   1HD   ARG  47          2HD       ARG  47  -3.140 -14.570   1.272
  334   2HD   ARG  47          1HD       ARG  47  -2.941 -14.080  -0.442
  335    HE   ARG  47           HE       ARG  47  -2.505 -16.835   0.749
  336   1HH1  ARG  47          1HH1      ARG  47  -2.889 -14.905  -2.254
  337   2HH1  ARG  47          2HH1      ARG  47  -3.447 -16.270  -3.124
  338   1HH2  ARG  47          1HH2      ARG  47  -3.016 -18.544  -0.433
  339   2HH2  ARG  47          2HH2      ARG  47  -3.333 -18.456  -2.137
  340    H    ASP  48           H        ASP  48   1.581 -14.084   2.340
  341    HA   ASP  48           HA       ASP  48   3.347 -16.352   2.150
  342   1HB   ASP  48          2HB       ASP  48   2.205 -14.672   4.411
  343   2HB   ASP  48          1HB       ASP  48   2.826 -16.313   4.796
  344    H    LEU  49           H        LEU  49   2.845 -18.367   1.887
  345    HA   LEU  49           HA       LEU  49   0.168 -19.284   2.450
  346   1HB   LEU  49          2HB       LEU  49   2.604 -20.481   1.074
  347   2HB   LEU  49          1HB       LEU  49   1.205 -21.475   1.556
  348    HG   LEU  49           HG       LEU  49  -0.323 -20.020   0.230
  349   1HD1  LEU  49          1HD1      LEU  49   0.666 -18.710  -1.682
  350   2HD1  LEU  49          2HD1      LEU  49   2.295 -18.856  -0.922
  351   3HD1  LEU  49          3HD1      LEU  49   0.981 -17.937  -0.090
  352   1HD2  LEU  49          1HD2      LEU  49   0.301 -21.103  -1.925
  353   2HD2  LEU  49          2HD2      LEU  49   0.504 -22.238  -0.539
  354   3HD2  LEU  49          3HD2      LEU  49   1.947 -21.452  -1.284
  355    H    LYS  50           H        LYS  50   2.901 -18.867   4.329
  356    HA   LYS  50           HA       LYS  50   3.574 -21.324   5.092
  357   1HB   LYS  50          2HB       LYS  50   3.772 -18.742   6.711
  358   2HB   LYS  50          1HB       LYS  50   4.506 -20.282   7.216
  359   1HG   LYS  50          2HG       LYS  50   6.302 -19.528   6.298
  360   2HG   LYS  50          1HG       LYS  50   5.661 -20.226   4.794
  361   1HD   LYS  50          2HD       LYS  50   5.026 -18.015   3.983
  362   2HD   LYS  50          1HD       LYS  50   5.105 -17.331   5.649
  363   1HE   LYS  50          2HE       LYS  50   7.594 -17.714   5.694
  364   2HE   LYS  50          1HE       LYS  50   7.540 -18.205   3.962
  365   1HZ   LYS  50          1HZ       LYS  50   7.994 -15.750   4.742
  366   2HZ   LYS  50          2HZ       LYS  50   6.307 -15.621   4.670
  367   3HZ   LYS  50          3HZ       LYS  50   7.184 -16.076   3.314
  368    H    TRP  51           H        TRP  51   1.347 -19.315   7.058
  369    HA   TRP  51           HA       TRP  51   1.085 -21.429   8.959
  370   1HB   TRP  51          2HB       TRP  51  -0.524 -19.922  10.070
  371   2HB   TRP  51          1HB       TRP  51   1.064 -19.161   9.726
  372    HD1  TRP  51           HD       TRP  51  -2.661 -18.956   8.523
  373    HE1  TRP  51           1HE      TRP  51  -2.956 -16.667   7.404
  374    HE3  TRP  51           3HE      TRP  51   2.178 -17.417   8.581
  375    HZ2  TRP  51           2HZ      TRP  51  -1.372 -14.396   6.870
  376    HZ3  TRP  51           3HZ      TRP  51   2.718 -15.181   7.744
  377    HH2  TRP  51           HH       TRP  51   0.988 -13.688   6.934
  378    H    TRP  52           H        TRP  52  -0.506 -20.650   6.095
  379    HA   TRP  52           HA       TRP  52  -3.008 -21.925   6.683
  380   1HB   TRP  52          2HB       TRP  52  -1.785 -21.320   3.941
  381   2HB   TRP  52          1HB       TRP  52  -3.514 -21.640   4.301
  382    HD1  TRP  52           HD       TRP  52  -0.865 -18.839   4.411
  383    HE1  TRP  52           1HE      TRP  52  -2.086 -16.613   4.634
  384    HE3  TRP  52           3HE      TRP  52  -5.466 -20.620   5.594
  385    HZ2  TRP  52           2HZ      TRP  52  -4.721 -15.728   5.213
  386    HZ3  TRP  52           3HZ      TRP  52  -7.266 -19.027   6.051
  387    HH2  TRP  52           HH       TRP  52  -6.908 -16.628   5.859
  388    H    GLU  53           H        GLU  53   0.027 -22.830   5.136
  389    HA   GLU  53           HA       GLU  53  -0.896 -25.405   4.317
  390   1HB   GLU  53          2HB       GLU  53   0.614 -23.865   3.043
  391   2HB   GLU  53          1HB       GLU  53   1.850 -24.061   4.299
  392   1HG   GLU  53          2HG       GLU  53   2.323 -25.383   2.259
  393   2HG   GLU  53          1HG       GLU  53   2.141 -26.465   3.668
  394    H    LEU  54           H        LEU  54  -1.438 -25.496   6.893
  395    HA   LEU  54           HA       LEU  54   0.629 -27.230   8.027
  396   1HB   LEU  54          2HB       LEU  54  -0.921 -25.011   9.451
  397   2HB   LEU  54          1HB       LEU  54   0.068 -26.247  10.286
  398    HG   LEU  54           HG       LEU  54   1.137 -24.152   8.321
  399   1HD1  LEU  54          1HD1      LEU  54   2.081 -23.054  10.342
  400   2HD1  LEU  54          2HD1      LEU  54   1.313 -24.312  11.400
  401   3HD1  LEU  54          3HD1      LEU  54   0.291 -23.177  10.445
  402   1HD2  LEU  54          1HD2      LEU  54   3.399 -24.840   9.169
  403   2HD2  LEU  54          2HD2      LEU  54   2.585 -26.179   8.304
  404   3HD2  LEU  54          3HD2      LEU  54   2.634 -26.183  10.110
  Start of MODEL   35
    1   1H    VAL   1          1HT       VAL   1   6.330  20.145   8.422
    2   2H    VAL   1          2HT       VAL   1   5.619  19.547   7.067
    3   3H    VAL   1          3HT       VAL   1   6.274  18.497   8.178
    4    HA   VAL   1           HA       VAL   1   4.640  19.171   9.832
    5    HB   VAL   1           HB       VAL   1   4.540  21.489   9.030
    6   1HG1  VAL   1          1HG1      VAL   1   4.237  21.131   6.569
    7   2HG1  VAL   1          2HG1      VAL   1   2.917  22.119   7.262
    8   3HG1  VAL   1          3HG1      VAL   1   2.606  20.404   6.866
    9   1HG2  VAL   1          1HG2      VAL   1   1.722  20.279   9.300
   10   2HG2  VAL   1          2HG2      VAL   1   2.252  21.962   9.617
   11   3HG2  VAL   1          3HG2      VAL   1   2.840  20.637  10.679
   12    H    VAL   2           H        VAL   2   2.557  18.034  10.115
   13    HA   VAL   2           HA       VAL   2   1.454  16.994   7.650
   14    HB   VAL   2           HB       VAL   2   2.747  15.188   8.623
   15   1HG1  VAL   2          1HG1      VAL   2   0.898  15.457  11.084
   16   2HG1  VAL   2          2HG1      VAL   2   2.662  15.846  11.040
   17   3HG1  VAL   2          3HG1      VAL   2   2.098  14.162  10.770
   18   1HG2  VAL   2          1HG2      VAL   2   0.949  13.515   8.575
   19   2HG2  VAL   2          2HG2      VAL   2   0.643  14.768   7.318
   20   3HG2  VAL   2          3HG2      VAL   2  -0.302  14.771   8.858
   21    H    SER   3           H        SER   3  -0.714  17.269   7.506
   22    HA   SER   3           HA       SER   3  -2.068  18.216   9.942
   23   1HB   SER   3          2HB       SER   3  -1.319  20.106   8.439
   24   2HB   SER   3          1HB       SER   3  -2.420  19.471   7.177
   25    HG   SER   3           HG       SER   3  -3.227  21.134   8.679
   26    H    HIS   4           H        HIS   4  -2.565  16.961   6.604
   27    HA   HIS   4           HA       HIS   4  -4.891  15.526   7.689
   28   1HB   HIS   4          2HB       HIS   4  -6.009  15.710   5.492
   29   2HB   HIS   4          1HB       HIS   4  -5.780  17.296   6.276
   30    HD1  HIS   4           1HD      HIS   4  -4.474  19.045   4.994
   31    HD2  HIS   4           2HD      HIS   4  -4.053  15.224   3.315
   32    HE1  HIS   4           1HE      HIS   4  -3.226  19.337   2.843
   33    HE2  HIS   4           2HE      HIS   4  -2.925  17.049   1.863
   34    H    PHE   5           H        PHE   5  -5.153  13.421   7.095
   35    HA   PHE   5           HA       PHE   5  -2.781  12.155   6.054
   36   1HB   PHE   5          2HB       PHE   5  -3.947  11.566   8.266
   37   2HB   PHE   5          1HB       PHE   5  -5.330  10.965   7.312
   38    HD1  PHE   5           1HD      PHE   5  -1.825  10.442   8.259
   39    HD2  PHE   5           2HD      PHE   5  -5.129   8.892   6.084
   40    HE1  PHE   5           1HE      PHE   5  -0.719   8.258   8.136
   41    HE2  PHE   5           2HE      PHE   5  -4.029   6.712   5.961
   42    HZ   PHE   5           HZ       PHE   5  -1.822   6.388   6.991
   43    H    ASN   6           H        ASN   6  -2.718  11.046   4.113
   44    HA   ASN   6           HA       ASN   6  -5.090  11.396   2.415
   45   1HB   ASN   6          2HB       ASN   6  -2.123  11.081   1.699
   46   2HB   ASN   6          1HB       ASN   6  -3.467  11.204   0.503
   47   1HD2  ASN   6          1HD2      ASN   6  -1.164  13.011   0.864
   48   2HD2  ASN   6          2HD2      ASN   6  -1.858  14.580   1.154
   49    H    ASP   7           H        ASP   7  -5.944   9.791   1.240
   50    HA   ASP   7           HA       ASP   7  -4.745   7.136   1.435
   51   1HB   ASP   7          2HB       ASP   7  -6.980   6.295   0.614
   52   2HB   ASP   7          1HB       ASP   7  -6.957   7.007   2.248
   53    H    CYS   8           H        CYS   8  -5.486   5.898  -0.755
   54    HA   CYS   8           HA       CYS   8  -3.606   7.029  -2.522
   55   1HB   CYS   8          2HB       CYS   8  -3.930   4.610  -1.781
   56   2HB   CYS   8          1HB       CYS   8  -5.329   4.519  -2.869
   57    HA   PRO   9           HA       PRO   9  -6.445   9.451  -4.210
   58   1HB   PRO   9          2HB       PRO   9  -5.337  10.493  -6.519
   59   2HB   PRO   9          1HB       PRO   9  -4.514  10.597  -4.922
   60   1HG   PRO   9          2HG       PRO   9  -4.086   8.434  -7.066
   61   2HG   PRO   9          1HG       PRO   9  -2.822   9.496  -6.300
   62   1HD   PRO   9          2HD       PRO   9  -3.424   6.966  -5.353
   63   2HD   PRO   9          1HD       PRO   9  -3.030   8.326  -4.187
   64    H    LEU  10           H        LEU  10  -7.803  10.305  -5.945
   65    HA   LEU  10           HA       LEU  10  -9.424   8.374  -7.095
   66   1HB   LEU  10          2HB       LEU  10 -10.094  10.628  -6.291
   67   2HB   LEU  10          1HB       LEU  10  -9.102  11.390  -7.562
   68    HG   LEU  10           HG       LEU  10 -10.609  10.425  -9.314
   69   1HD1  LEU  10          1HD1      LEU  10 -12.282   9.426  -6.917
   70   2HD1  LEU  10          2HD1      LEU  10 -11.465   8.390  -8.147
   71   3HD1  LEU  10          3HD1      LEU  10 -12.826   9.462  -8.635
   72   1HD2  LEU  10          1HD2      LEU  10 -12.069  12.009  -7.108
   73   2HD2  LEU  10          2HD2      LEU  10 -12.513  11.939  -8.855
   74   3HD2  LEU  10          3HD2      LEU  10 -10.964  12.712  -8.347
   75    H    SER  11           H        SER  11  -6.752  10.228  -8.465
   76    HA   SER  11           HA       SER  11  -7.269   9.185 -11.115
   77   1HB   SER  11          2HB       SER  11  -5.384  10.519 -11.888
   78   2HB   SER  11          1HB       SER  11  -6.537  11.513 -10.950
   79    HG   SER  11           HG       SER  11  -4.143  11.596 -10.578
   80    H    HIS  12           H        HIS  12  -5.191   8.414 -12.248
   81    HA   HIS  12           HA       HIS  12  -4.868   5.997 -12.135
   82   1HB   HIS  12          2HB       HIS  12  -3.613   7.538 -13.578
   83   2HB   HIS  12          1HB       HIS  12  -2.458   7.868 -12.264
   84    HD1  HIS  12           1HD      HIS  12  -0.569   6.146 -11.977
   85    HD2  HIS  12           2HD      HIS  12  -3.405   4.973 -14.840
   86    HE1  HIS  12           1HE      HIS  12   0.387   4.148 -13.177
   87    HE2  HIS  12           2HE      HIS  12  -1.373   3.485 -14.922
   88    H    ASP  13           H        ASP  13  -4.739   4.352 -10.801
   89    HA   ASP  13           HA       ASP  13  -2.477   4.266  -8.982
   90   1HB   ASP  13          2HB       ASP  13  -3.783   3.261  -7.237
   91   2HB   ASP  13          1HB       ASP  13  -4.606   4.775  -7.733
   92    H    GLY  14           H        GLY  14  -1.811   2.031  -8.449
   93   1HA   GLY  14          2HA       GLY  14  -2.524  -0.229  -8.806
   94   2HA   GLY  14          1HA       GLY  14  -2.607   0.124 -10.560
   95    H    TYR  15           H        TYR  15   0.002   1.217  -8.431
   96    HA   TYR  15           HA       TYR  15   1.918  -0.356  -9.900
   97   1HB   TYR  15          2HB       TYR  15   2.560   1.922  -9.247
   98   2HB   TYR  15          1HB       TYR  15   2.104   1.600  -7.548
   99    HD1  TYR  15           1HD      TYR  15   3.850   1.276  -6.144
  100    HD2  TYR  15           2HD      TYR  15   4.290   0.021 -10.177
  101    HE1  TYR  15           1HE      TYR  15   6.084   0.432  -5.629
  102    HE2  TYR  15           2HE      TYR  15   6.527  -0.827  -9.670
  103    HH   TYR  15           HH       TYR  15   7.822  -0.819  -6.376
  104    H    CYS  16           H        CYS  16   0.467  -0.198  -6.648
  105    HA   CYS  16           HA       CYS  16   2.070  -2.399  -5.750
  106   1HB   CYS  16          2HB       CYS  16  -0.222  -1.050  -4.257
  107   2HB   CYS  16          1HB       CYS  16   1.191  -1.910  -3.565
  108    H    LEU  17           H        LEU  17   1.479  -4.534  -5.760
  109    HA   LEU  17           HA       LEU  17  -1.114  -5.156  -6.793
  110   1HB   LEU  17          2HB       LEU  17   1.310  -6.797  -6.005
  111   2HB   LEU  17          1HB       LEU  17  -0.224  -7.565  -6.505
  112    HG   LEU  17           HG       LEU  17   1.297  -7.595  -8.316
  113   1HD1  LEU  17          1HD1      LEU  17  -0.037  -6.602 -10.116
  114   2HD1  LEU  17          2HD1      LEU  17  -0.885  -5.517  -8.961
  115   3HD1  LEU  17          3HD1      LEU  17  -1.124  -7.305  -8.863
  116   1HD2  LEU  17          1HD2      LEU  17   1.388  -4.530  -8.424
  117   2HD2  LEU  17          2HD2      LEU  17   2.269  -5.702  -9.463
  118   3HD2  LEU  17          3HD2      LEU  17   2.694  -5.551  -7.713
  119    H    HIS  18           H        HIS  18  -2.383  -6.949  -5.839
  120    HA   HIS  18           HA       HIS  18  -4.030  -7.182  -4.478
  121   1HB   HIS  18          2HB       HIS  18  -1.835  -7.498  -2.385
  122   2HB   HIS  18          1HB       HIS  18  -3.533  -8.072  -2.210
  123    HD1  HIS  18           1HD      HIS  18  -4.287  -9.966  -3.933
  124    HD2  HIS  18           2HD      HIS  18  -0.176  -9.122  -3.981
  125    HE1  HIS  18           1HE      HIS  18  -3.167 -11.840  -5.190
  126    HE2  HIS  18           2HE      HIS  18  -0.708 -11.327  -5.189
  127    H    ASP  19           H        ASP  19  -4.033  -4.707  -5.039
  128    HA   ASP  19           HA       ASP  19  -4.358  -2.645  -4.517
  129   1HB   ASP  19          2HB       ASP  19  -6.495  -4.011  -4.423
  130   2HB   ASP  19          1HB       ASP  19  -6.449  -3.839  -2.635
  131    H    GLY  20           H        GLY  20  -2.249  -2.336  -3.586
  132   1HA   GLY  20          2HA       GLY  20  -2.097  -2.075  -0.734
  133   2HA   GLY  20          1HA       GLY  20  -0.873  -1.606  -1.966
  134    H    VAL  21           H        VAL  21  -2.066  -0.230   0.515
  135    HA   VAL  21           HA       VAL  21  -3.514   1.963  -0.644
  136    HB   VAL  21           HB       VAL  21  -2.628   1.650   2.224
  137   1HG1  VAL  21          1HG1      VAL  21  -4.805   3.334   0.791
  138   2HG1  VAL  21          2HG1      VAL  21  -3.287   3.993   1.511
  139   3HG1  VAL  21          3HG1      VAL  21  -4.538   3.254   2.566
  140   1HG2  VAL  21          1HG2      VAL  21  -4.997   0.838   2.551
  141   2HG2  VAL  21          2HG2      VAL  21  -4.016  -0.318   1.595
  142   3HG2  VAL  21          3HG2      VAL  21  -5.203   0.756   0.766
  143    H    CYS  22           H        CYS  22  -2.325   3.369  -1.826
  144    HA   CYS  22           HA       CYS  22   0.337   4.028  -0.969
  145   1HB   CYS  22          2HB       CYS  22   0.658   5.109  -2.989
  146   2HB   CYS  22          1HB       CYS  22  -0.251   3.627  -3.357
  147    H    MET  23           H        MET  23   1.149   6.070  -0.432
  148    HA   MET  23           HA       MET  23  -0.725   8.225  -0.141
  149   1HB   MET  23          2HB       MET  23   0.002   8.570   2.326
  150   2HB   MET  23          1HB       MET  23  -1.287   7.411   1.925
  151   1HG   MET  23          2HG       MET  23   0.184   5.495   2.131
  152   2HG   MET  23          1HG       MET  23   1.615   6.538   2.342
  153   1HE   MET  23          1HE       MET  23   0.623   4.057   4.061
  154   2HE   MET  23          2HE       MET  23   1.155   4.622   5.682
  155   3HE   MET  23          3HE       MET  23   2.175   4.948   4.240
  156    H    TYR  24           H        TYR  24   0.244   9.672  -1.269
  157    HA   TYR  24           HA       TYR  24   2.985  10.442  -0.700
  158   1HB   TYR  24          2HB       TYR  24   2.280  10.439  -3.082
  159   2HB   TYR  24          1HB       TYR  24   0.815  11.387  -2.659
  160    HD1  TYR  24           1HD      TYR  24   4.451  11.984  -1.774
  161    HD2  TYR  24           2HD      TYR  24   0.922  13.216  -3.809
  162    HE1  TYR  24           1HE      TYR  24   5.537  14.063  -2.388
  163    HE2  TYR  24           2HE      TYR  24   1.992  15.285  -4.447
  164    HH   TYR  24           HH       TYR  24   5.241  16.148  -3.277
  165    H    ILE  25           H        ILE  25   3.478  12.110   0.729
  166    HA   ILE  25           HA       ILE  25   1.289  13.911   1.429
  167    HB   ILE  25           HB       ILE  25   3.593  13.040   3.203
  168   1HG1  ILE  25          2HG1      ILE  25   1.420  12.215   4.537
  169   2HG1  ILE  25          1HG1      ILE  25   0.763  11.973   2.898
  170   1HG2  ILE  25          1HG2      ILE  25   1.050  14.762   3.552
  171   2HG2  ILE  25          2HG2      ILE  25   2.762  15.359   3.541
  172   3HG2  ILE  25          3HG2      ILE  25   2.186  14.305   4.885
  173   1HD1  ILE  25          1HD1      ILE  25   3.344  10.725   4.093
  174   2HD1  ILE  25          2HD1      ILE  25   2.844  10.523   2.382
  175   3HD1  ILE  25          3HD1      ILE  25   1.812   9.863   3.685
  176    H    GLU  26           H        GLU  26   1.714  15.614   0.136
  177    HA   GLU  26           HA       GLU  26   4.041  16.326  -0.936
  178   1HB   GLU  26          2HB       GLU  26   3.019  18.503  -1.425
  179   2HB   GLU  26          1HB       GLU  26   1.874  17.160  -1.654
  180   1HG   GLU  26          2HG       GLU  26   0.833  17.674   0.596
  181   2HG   GLU  26          1HG       GLU  26   1.948  19.073   0.785
  182    H    ALA  27           H        ALA  27   2.879  17.480   2.184
  183    HA   ALA  27           HA       ALA  27   4.765  19.455   2.616
  184   1HB   ALA  27          1HB       ALA  27   3.259  17.666   4.635
  185   2HB   ALA  27          2HB       ALA  27   2.582  19.149   3.863
  186   3HB   ALA  27          3HB       ALA  27   3.977  19.268   4.990
  187    H    LEU  28           H        LEU  28   4.843  15.996   3.373
  188    HA   LEU  28           HA       LEU  28   7.279  16.270   4.879
  189   1HB   LEU  28          2HB       LEU  28   5.715  13.782   3.983
  190   2HB   LEU  28          1HB       LEU  28   7.045  13.809   5.182
  191    HG   LEU  28           HG       LEU  28   4.283  15.114   5.484
  192   1HD1  LEU  28          1HD1      LEU  28   3.983  13.408   7.273
  193   2HD1  LEU  28          2HD1      LEU  28   5.613  12.730   6.924
  194   3HD1  LEU  28          3HD1      LEU  28   4.302  12.616   5.684
  195   1HD2  LEU  28          1HD2      LEU  28   5.005  15.547   7.864
  196   2HD2  LEU  28          2HD2      LEU  28   5.856  16.551   6.647
  197   3HD2  LEU  28          3HD2      LEU  28   6.699  15.132   7.399
  198    H    ASP  29           H        ASP  29   6.254  15.457   1.675
  199    HA   ASP  29           HA       ASP  29   7.249  15.318  -0.193
  200   1HB   ASP  29          2HB       ASP  29   8.575  17.196   0.773
  201   2HB   ASP  29          1HB       ASP  29   9.868  16.035   1.198
  202    H    LYS  30           H        LYS  30   6.891  13.003   1.494
  203    HA   LYS  30           HA       LYS  30   8.621  11.178  -0.003
  204   1HB   LYS  30          2HB       LYS  30   9.008   9.819   1.893
  205   2HB   LYS  30          1HB       LYS  30   9.449  11.518   2.239
  206   1HG   LYS  30          2HG       LYS  30   8.513  10.810   4.198
  207   2HG   LYS  30          1HG       LYS  30   7.212  11.783   3.467
  208   1HD   LYS  30          2HD       LYS  30   5.959   9.821   2.861
  209   2HD   LYS  30          1HD       LYS  30   7.345   8.732   3.087
  210   1HE   LYS  30          2HE       LYS  30   6.059  10.309   5.429
  211   2HE   LYS  30          1HE       LYS  30   5.479   8.677   4.919
  212   1HZ   LYS  30          1HZ       LYS  30   7.543   7.725   5.450
  213   2HZ   LYS  30          2HZ       LYS  30   7.170   8.719   6.758
  214   3HZ   LYS  30          3HZ       LYS  30   8.321   9.202   5.655
  215    H    TYR  31           H        TYR  31   7.845   9.075  -0.300
  216    HA   TYR  31           HA       TYR  31   4.912   8.929  -0.485
  217   1HB   TYR  31          2HB       TYR  31   7.160   7.525  -2.072
  218   2HB   TYR  31          1HB       TYR  31   5.410   7.203  -2.303
  219    HD1  TYR  31           1HD      TYR  31   4.009   8.808  -3.342
  220    HD2  TYR  31           2HD      TYR  31   8.150   9.525  -2.874
  221    HE1  TYR  31           1HE      TYR  31   3.873  10.637  -5.002
  222    HE2  TYR  31           2HE      TYR  31   8.042  11.351  -4.511
  223    HH   TYR  31           HH       TYR  31   6.707  12.650  -5.743
  224    H    ALA  32           H        ALA  32   3.944   6.819  -0.003
  225    HA   ALA  32           HA       ALA  32   5.763   4.731   0.007
  226   1HB   ALA  32          1HB       ALA  32   5.274   3.664   2.225
  227   2HB   ALA  32          2HB       ALA  32   4.212   5.051   2.671
  228   3HB   ALA  32          3HB       ALA  32   5.990   5.280   2.497
  229    H    CYS  33           H        CYS  33   4.684   2.585   0.052
  230    HA   CYS  33           HA       CYS  33   1.779   2.769  -0.281
  231   1HB   CYS  33          2HB       CYS  33   3.150   2.425  -2.467
  232   2HB   CYS  33          1HB       CYS  33   3.558   0.812  -1.837
  233    H    ASN  34           H        ASN  34   0.689   1.516   1.138
  234    HA   ASN  34           HA       ASN  34   2.287  -0.321   2.741
  235   1HB   ASN  34          2HB       ASN  34   0.734   1.630   3.558
  236   2HB   ASN  34          1HB       ASN  34  -0.640   0.560   3.139
  237   1HD2  ASN  34          1HD2      ASN  34  -0.955  -1.377   4.494
  238   2HD2  ASN  34          2HD2      ASN  34  -0.156  -1.511   6.024
  239    H    CYS  35           H        CYS  35   1.895  -2.607   2.768
  240    HA   CYS  35           HA       CYS  35   0.049  -3.469   0.661
  241   1HB   CYS  35          2HB       CYS  35   2.422  -4.894   1.942
  242   2HB   CYS  35          1HB       CYS  35   1.355  -5.573   0.673
  243    H    VAL  36           H        VAL  36  -0.941  -5.588   0.921
  244    HA   VAL  36           HA       VAL  36  -2.117  -5.944   3.509
  245    HB   VAL  36           HB       VAL  36  -2.272  -7.735   1.089
  246   1HG1  VAL  36          1HG1      VAL  36  -4.024  -7.492   3.616
  247   2HG1  VAL  36          2HG1      VAL  36  -3.073  -8.935   3.077
  248   3HG1  VAL  36          3HG1      VAL  36  -4.492  -8.392   2.132
  249   1HG2  VAL  36          1HG2      VAL  36  -4.102  -5.402   2.016
  250   2HG2  VAL  36          2HG2      VAL  36  -4.458  -6.529   0.659
  251   3HG2  VAL  36          3HG2      VAL  36  -3.087  -5.385   0.533
  252    H    VAL  37           H        VAL  37  -1.884  -7.781   4.781
  253    HA   VAL  37           HA       VAL  37   0.826  -8.540   5.056
  254    HB   VAL  37           HB       VAL  37  -0.546  -7.898   6.910
  255   1HG1  VAL  37          1HG1      VAL  37  -2.026 -10.579   6.497
  256   2HG1  VAL  37          2HG1      VAL  37  -2.726  -8.938   6.225
  257   3HG1  VAL  37          3HG1      VAL  37  -2.215  -9.445   7.873
  258   1HG2  VAL  37          1HG2      VAL  37   0.259  -9.600   8.482
  259   2HG2  VAL  37          2HG2      VAL  37   1.515  -9.293   7.232
  260   3HG2  VAL  37          3HG2      VAL  37   0.505 -10.790   7.162
  261    H    GLY  38           H        GLY  38   1.878 -10.430   4.809
  262   1HA   GLY  38          2HA       GLY  38   2.231 -12.555   4.315
  263   2HA   GLY  38          1HA       GLY  38   0.473 -12.818   4.081
  264    H    TYR  39           H        TYR  39   2.024 -10.212   2.419
  265    HA   TYR  39           HA       TYR  39   2.127 -11.744  -0.075
  266   1HB   TYR  39          2HB       TYR  39   1.018  -8.915   0.390
  267   2HB   TYR  39          1HB       TYR  39   1.512  -9.526  -1.232
  268    HD1  TYR  39           1HD      TYR  39   0.354 -11.335  -2.287
  269    HD2  TYR  39           2HD      TYR  39  -0.960  -9.828   1.455
  270    HE1  TYR  39           1HE      TYR  39  -1.764 -12.526  -2.559
  271    HE2  TYR  39           2HE      TYR  39  -3.090 -10.992   1.185
  272    HH   TYR  39           HH       TYR  39  -4.278 -12.436  -0.045
  273    H    ILE  40           H        ILE  40   3.914 -11.536  -1.222
  274    HA   ILE  40           HA       ILE  40   6.084  -9.993  -0.008
  275    HB   ILE  40           HB       ILE  40   7.526 -11.985  -0.446
  276   1HG1  ILE  40          2HG1      ILE  40   4.818 -13.401  -0.790
  277   2HG1  ILE  40          1HG1      ILE  40   5.952 -13.057  -2.135
  278   1HG2  ILE  40          1HG2      ILE  40   6.611 -11.334   1.798
  279   2HG2  ILE  40          2HG2      ILE  40   6.840 -13.105   1.619
  280   3HG2  ILE  40          3HG2      ILE  40   5.189 -12.402   1.516
  281   1HD1  ILE  40          1HD1      ILE  40   6.305 -15.374  -1.430
  282   2HD1  ILE  40          2HD1      ILE  40   6.431 -14.903   0.295
  283   3HD1  ILE  40          3HD1      ILE  40   7.732 -14.428  -0.839
  284    H    GLY  41           H        GLY  41   8.073 -10.088  -1.406
  285   1HA   GLY  41          2HA       GLY  41   8.989  -9.639  -3.473
  286   2HA   GLY  41          1HA       GLY  41   7.343  -9.472  -4.185
  287    H    GLU  42           H        GLU  42   9.284  -7.436  -4.560
  288    HA   GLU  42           HA       GLU  42   9.402  -5.536  -2.595
  289   1HB   GLU  42          2HB       GLU  42   9.502  -5.315  -5.652
  290   2HB   GLU  42          1HB       GLU  42   9.975  -3.994  -4.553
  291   1HG   GLU  42          2HG       GLU  42  11.316  -6.773  -4.693
  292   2HG   GLU  42          1HG       GLU  42  11.915  -5.253  -5.435
  293    H    ARG  43           H        ARG  43   7.207  -5.639  -5.376
  294    HA   ARG  43           HA       ARG  43   5.474  -3.639  -4.128
  295   1HB   ARG  43          2HB       ARG  43   4.418  -3.634  -6.447
  296   2HB   ARG  43          1HB       ARG  43   6.065  -3.011  -6.311
  297   1HG   ARG  43          2HG       ARG  43   6.019  -5.938  -6.938
  298   2HG   ARG  43          1HG       ARG  43   5.175  -4.907  -8.134
  299   1HD   ARG  43          2HD       ARG  43   7.189  -3.434  -8.324
  300   2HD   ARG  43          1HD       ARG  43   8.113  -4.542  -7.238
  301    HE   ARG  43           HE       ARG  43   7.074  -6.283  -9.161
  302   1HH1  ARG  43          1HH1      ARG  43   9.176  -3.395  -9.403
  303   2HH1  ARG  43          2HH1      ARG  43   9.243  -3.461 -11.131
  304   1HH2  ARG  43          1HH2      ARG  43   7.848  -6.689 -11.319
  305   2HH2  ARG  43          2HH2      ARG  43   8.616  -5.434 -12.182
  306    H    CYS  44           H        CYS  44   5.665  -6.434  -3.174
  307    HA   CYS  44           HA       CYS  44   4.352  -7.918  -2.332
  308   1HB   CYS  44          2HB       CYS  44   2.300  -5.686  -2.526
  309   2HB   CYS  44          1HB       CYS  44   2.247  -7.060  -1.379
  310    H    GLN  45           H        GLN  45   4.542  -8.632  -4.907
  311    HA   GLN  45           HA       GLN  45   2.024  -8.837  -6.150
  312   1HB   GLN  45          2HB       GLN  45   4.596 -10.309  -6.862
  313   2HB   GLN  45          1HB       GLN  45   3.172  -9.999  -7.910
  314   1HG   GLN  45          2HG       GLN  45   3.607  -7.484  -7.602
  315   2HG   GLN  45          1HG       GLN  45   5.135  -7.911  -6.759
  316   1HE2  GLN  45          1HE2      GLN  45   3.456  -9.031  -9.811
  317   2HE2  GLN  45          2HE2      GLN  45   4.820  -8.684 -10.833
  318    H    TYR  46           H        TYR  46   3.928 -11.263  -4.348
  319    HA   TYR  46           HA       TYR  46   1.933 -13.274  -5.149
  320   1HB   TYR  46          2HB       TYR  46   4.743 -13.870  -4.098
  321   2HB   TYR  46          1HB       TYR  46   3.658 -14.931  -5.058
  322    HD1  TYR  46           1HD      TYR  46   3.121 -14.080  -7.466
  323    HD2  TYR  46           2HD      TYR  46   6.350 -12.644  -5.115
  324    HE1  TYR  46           1HE      TYR  46   4.214 -13.250  -9.485
  325    HE2  TYR  46           2HE      TYR  46   7.451 -11.802  -7.113
  326    HH   TYR  46           HH       TYR  46   5.965 -12.211 -10.348
  327    H    ARG  47           H        ARG  47   1.366 -14.894  -3.424
  328    HA   ARG  47           HA       ARG  47   1.740 -13.718  -0.753
  329   1HB   ARG  47          2HB       ARG  47   0.013 -15.527  -0.069
  330   2HB   ARG  47          1HB       ARG  47  -0.457 -13.988  -0.784
  331   1HG   ARG  47          2HG       ARG  47  -0.768 -14.994  -2.998
  332   2HG   ARG  47          1HG       ARG  47  -0.235 -16.600  -2.391
  333   1HD   ARG  47          2HD       ARG  47  -2.201 -16.778  -0.929
  334   2HD   ARG  47          1HD       ARG  47  -2.645 -15.053  -1.207
  335    HE   ARG  47           HE       ARG  47  -2.746 -17.254  -3.318
  336   1HH1  ARG  47          1HH1      ARG  47  -3.784 -13.906  -2.361
  337   2HH1  ARG  47          2HH1      ARG  47  -4.533 -13.704  -3.918
  338   1HH2  ARG  47          1HH2      ARG  47  -3.939 -16.944  -5.072
  339   2HH2  ARG  47          2HH2      ARG  47  -4.939 -15.528  -5.263
  340    H    ASP  48           H        ASP  48   2.436 -14.787   1.010
  341    HA   ASP  48           HA       ASP  48   3.843 -17.298   0.531
  342   1HB   ASP  48          2HB       ASP  48   4.987 -15.393   1.834
  343   2HB   ASP  48          1HB       ASP  48   3.772 -15.678   3.132
  344    H    LEU  49           H        LEU  49   2.557 -19.049   0.681
  345    HA   LEU  49           HA       LEU  49   0.086 -18.842   2.129
  346   1HB   LEU  49          2HB       LEU  49   0.634 -19.870  -0.240
  347   2HB   LEU  49          1HB       LEU  49   1.109 -21.313   0.691
  348    HG   LEU  49           HG       LEU  49  -1.259 -21.197   1.762
  349   1HD1  LEU  49          1HD1      LEU  49  -1.839 -18.825   1.192
  350   2HD1  LEU  49          2HD1      LEU  49  -3.011 -19.978   0.457
  351   3HD1  LEU  49          3HD1      LEU  49  -1.732 -19.226  -0.566
  352   1HD2  LEU  49          1HD2      LEU  49  -1.020 -21.644  -1.280
  353   2HD2  LEU  49          2HD2      LEU  49  -2.338 -22.268  -0.215
  354   3HD2  LEU  49          3HD2      LEU  49  -0.646 -22.843   0.016
  355    H    LYS  50           H        LYS  50   3.178 -19.645   3.101
  356    HA   LYS  50           HA       LYS  50   2.684 -22.235   4.108
  357   1HB   LYS  50          2HB       LYS  50   5.064 -20.329   4.244
  358   2HB   LYS  50          1HB       LYS  50   5.086 -21.993   4.910
  359   1HG   LYS  50          2HG       LYS  50   6.173 -22.128   2.897
  360   2HG   LYS  50          1HG       LYS  50   4.589 -22.870   2.583
  361   1HD   LYS  50          2HD       LYS  50   4.036 -21.294   1.010
  362   2HD   LYS  50          1HD       LYS  50   4.663 -19.927   1.977
  363   1HE   LYS  50          2HE       LYS  50   6.512 -21.842   0.445
  364   2HE   LYS  50          1HE       LYS  50   5.828 -20.298  -0.246
  365   1HZ   LYS  50          1HZ       LYS  50   7.687 -20.630   2.040
  366   2HZ   LYS  50          2HZ       LYS  50   6.818 -19.182   1.750
  367   3HZ   LYS  50          3HZ       LYS  50   7.910 -19.783   0.612
  368    H    TRP  51           H        TRP  51   2.571 -19.063   5.603
  369    HA   TRP  51           HA       TRP  51   2.846 -20.090   8.242
  370   1HB   TRP  51          2HB       TRP  51   2.302 -17.814   8.952
  371   2HB   TRP  51          1HB       TRP  51   3.582 -17.863   7.696
  372    HD1  TRP  51           HD       TRP  51   2.880 -16.878   5.194
  373    HE1  TRP  51           1HE      TRP  51   0.910 -15.458   4.435
  374    HE3  TRP  51           3HE      TRP  51   0.089 -17.016   9.435
  375    HZ2  TRP  51           2HZ      TRP  51  -1.266 -14.098   5.657
  376    HZ3  TRP  51           3HZ      TRP  51  -1.905 -15.610   9.585
  377    HH2  TRP  51           HH       TRP  51  -2.581 -14.182   7.731
  378    H    TRP  52           H        TRP  52   0.226 -19.742   6.081
  379    HA   TRP  52           HA       TRP  52  -1.870 -19.584   7.933
  380   1HB   TRP  52          2HB       TRP  52  -1.851 -20.728   5.096
  381   2HB   TRP  52          1HB       TRP  52  -3.325 -20.354   6.039
  382    HD1  TRP  52           HD       TRP  52  -0.368 -18.416   4.312
  383    HE1  TRP  52           1HE      TRP  52  -1.385 -16.200   3.480
  384    HE3  TRP  52           3HE      TRP  52  -4.856 -18.668   6.662
  385    HZ2  TRP  52           2HZ      TRP  52  -3.763 -14.764   3.801
  386    HZ3  TRP  52           3HZ      TRP  52  -6.435 -16.826   6.392
  387    HH2  TRP  52           HH       TRP  52  -5.910 -14.905   4.989
  388    H    GLU  53           H        GLU  53  -0.263 -22.408   6.507
  389    HA   GLU  53           HA       GLU  53  -1.957 -24.141   8.158
  390   1HB   GLU  53          2HB       GLU  53  -1.869 -24.502   5.654
  391   2HB   GLU  53          1HB       GLU  53  -0.178 -25.024   5.869
  392   1HG   GLU  53          2HG       GLU  53  -1.052 -26.819   7.514
  393   2HG   GLU  53          1HG       GLU  53  -2.714 -26.250   7.155
  394    H    LEU  54           H        LEU  54  -0.623 -23.150   9.938
  395    HA   LEU  54           HA       LEU  54   1.632 -24.966  10.444
  396   1HB   LEU  54          2HB       LEU  54   0.877 -22.287  11.716
  397   2HB   LEU  54          1HB       LEU  54   2.157 -23.374  12.344
  398    HG   LEU  54           HG       LEU  54   2.201 -22.127   9.544
  399   1HD1  LEU  54          1HD1      LEU  54   2.289 -20.357  11.297
  400   2HD1  LEU  54          2HD1      LEU  54   3.884 -20.536  10.475
  401   3HD1  LEU  54          3HD1      LEU  54   3.639 -21.226  12.123
  402   1HD2  LEU  54          1HD2      LEU  54   4.383 -23.551  11.210
  403   2HD2  LEU  54          2HD2      LEU  54   4.637 -22.741   9.620
  404   3HD2  LEU  54          3HD2      LEU  54   3.585 -24.200   9.726
  Start of MODEL   36
    1   1H    VAL   1          1HT       VAL   1   7.406  16.435   5.971
    2   2H    VAL   1          2HT       VAL   1   8.364  17.397   6.954
    3   3H    VAL   1          3HT       VAL   1   6.985  18.046   6.277
    4    HA   VAL   1           HA       VAL   1   6.970  15.886   8.277
    5    HB   VAL   1           HB       VAL   1   6.370  18.860   8.505
    6   1HG1  VAL   1          1HG1      VAL   1   6.043  18.365  10.950
    7   2HG1  VAL   1          2HG1      VAL   1   6.093  16.607  10.608
    8   3HG1  VAL   1          3HG1      VAL   1   4.755  17.632   9.948
    9   1HG2  VAL   1          1HG2      VAL   1   8.235  18.783  10.187
   10   2HG2  VAL   1          2HG2      VAL   1   8.830  18.374   8.553
   11   3HG2  VAL   1          3HG2      VAL   1   8.552  17.071   9.772
   12    H    VAL   2           H        VAL   2   4.867  15.021   8.808
   13    HA   VAL   2           HA       VAL   2   2.835  15.767   6.879
   14    HB   VAL   2           HB       VAL   2   3.557  13.572   6.634
   15   1HG1  VAL   2          1HG1      VAL   2   2.908  13.104   9.614
   16   2HG1  VAL   2          2HG1      VAL   2   4.557  13.114   8.870
   17   3HG1  VAL   2          3HG1      VAL   2   3.370  11.862   8.404
   18   1HG2  VAL   2          1HG2      VAL   2   1.422  12.400   6.852
   19   2HG2  VAL   2          2HG2      VAL   2   1.090  14.100   6.375
   20   3HG2  VAL   2          3HG2      VAL   2   0.828  13.556   8.080
   21    H    SER   3           H        SER   3   1.165  16.998   7.514
   22    HA   SER   3           HA       SER   3   0.354  16.939  10.306
   23   1HB   SER   3          2HB       SER   3  -1.231  18.724   9.563
   24   2HB   SER   3          1HB       SER   3   0.491  19.117   9.273
   25    HG   SER   3           HG       SER   3  -0.846  19.570   7.474
   26    H    HIS   4           H        HIS   4  -1.073  16.399   7.084
   27    HA   HIS   4           HA       HIS   4  -3.187  14.780   8.352
   28   1HB   HIS   4          2HB       HIS   4  -3.225  16.450   5.774
   29   2HB   HIS   4          1HB       HIS   4  -4.604  15.495   6.410
   30    HD1  HIS   4           1HD      HIS   4  -5.780  16.410   8.508
   31    HD2  HIS   4           2HD      HIS   4  -2.909  19.000   6.917
   32    HE1  HIS   4           1HE      HIS   4  -6.077  18.650   9.677
   33    HE2  HIS   4           2HE      HIS   4  -4.412  20.193   8.655
   34    H    PHE   5           H        PHE   5  -3.564  12.744   7.627
   35    HA   PHE   5           HA       PHE   5  -1.957  11.774   5.369
   36   1HB   PHE   5          2HB       PHE   5  -3.392  10.335   7.680
   37   2HB   PHE   5          1HB       PHE   5  -2.713   9.480   6.258
   38    HD1  PHE   5           1HD      PHE   5  -1.868  11.461   9.250
   39    HD2  PHE   5           2HD      PHE   5  -0.404   9.169   5.986
   40    HE1  PHE   5           1HE      PHE   5   0.303  11.272  10.361
   41    HE2  PHE   5           2HE      PHE   5   1.768   8.967   7.100
   42    HZ   PHE   5           HZ       PHE   5   2.119  10.003   9.299
   43    H    ASN   6           H        ASN   6  -3.031  11.371   3.447
   44    HA   ASN   6           HA       ASN   6  -5.795  10.578   3.638
   45   1HB   ASN   6          2HB       ASN   6  -6.554  12.162   1.866
   46   2HB   ASN   6          1HB       ASN   6  -6.047  12.990   3.366
   47   1HD2  ASN   6          1HD2      ASN   6  -4.911  12.213  -0.003
   48   2HD2  ASN   6          2HD2      ASN   6  -4.038  13.717  -0.114
   49    H    ASP   7           H        ASP   7  -6.671   9.793   1.517
   50    HA   ASP   7           HA       ASP   7  -4.736   8.066   0.404
   51   1HB   ASP   7          2HB       ASP   7  -6.707   7.077  -0.736
   52   2HB   ASP   7          1HB       ASP   7  -7.003   7.299   1.023
   53    H    CYS   8           H        CYS   8  -4.736   7.703  -2.004
   54    HA   CYS   8           HA       CYS   8  -3.694  10.053  -3.120
   55   1HB   CYS   8          2HB       CYS   8  -2.906   8.626  -4.892
   56   2HB   CYS   8          1HB       CYS   8  -2.521   8.013  -3.273
   57    HA   PRO   9           HA       PRO   9  -7.418  10.412  -5.629
   58   1HB   PRO   9          2HB       PRO   9  -7.729  13.101  -5.710
   59   2HB   PRO   9          1HB       PRO   9  -7.973  12.147  -4.211
   60   1HG   PRO   9          2HG       PRO   9  -5.644  13.964  -4.881
   61   2HG   PRO   9          1HG       PRO   9  -6.379  13.561  -3.284
   62   1HD   PRO   9          2HD       PRO   9  -4.057  12.289  -4.580
   63   2HD   PRO   9          1HD       PRO   9  -4.810  11.887  -2.990
   64    H    LEU  10           H        LEU  10  -5.159  13.025  -6.572
   65    HA   LEU  10           HA       LEU  10  -5.697  12.536  -9.291
   66   1HB   LEU  10          2HB       LEU  10  -4.361  14.351  -9.862
   67   2HB   LEU  10          1HB       LEU  10  -5.327  14.786  -8.441
   68    HG   LEU  10           HG       LEU  10  -2.330  14.092  -8.435
   69   1HD1  LEU  10          1HD1      LEU  10  -2.863  16.197  -9.639
   70   2HD1  LEU  10          2HD1      LEU  10  -2.009  16.519  -8.085
   71   3HD1  LEU  10          3HD1      LEU  10  -3.789  16.791  -8.208
   72   1HD2  LEU  10          1HD2      LEU  10  -4.153  15.163  -6.183
   73   2HD2  LEU  10          2HD2      LEU  10  -2.358  15.162  -6.135
   74   3HD2  LEU  10          3HD2      LEU  10  -3.238  13.596  -6.173
   75    H    SER  11           H        SER  11  -2.832  11.919  -7.329
   76    HA   SER  11           HA       SER  11  -1.404  10.864  -9.582
   77   1HB   SER  11          2HB       SER  11  -0.251  12.180  -7.839
   78   2HB   SER  11          1HB       SER  11  -0.646  10.932  -6.619
   79    HG   SER  11           HG       SER  11   0.736   9.596  -7.522
   80    H    HIS  12           H        HIS  12  -1.786   8.912 -10.354
   81    HA   HIS  12           HA       HIS  12  -2.690   6.778  -8.572
   82   1HB   HIS  12          2HB       HIS  12  -2.593   7.163 -11.593
   83   2HB   HIS  12          1HB       HIS  12  -2.763   5.524 -10.903
   84    HD1  HIS  12           1HD      HIS  12  -4.799   4.952  -9.559
   85    HD2  HIS  12           2HD      HIS  12  -5.000   8.817 -11.161
   86    HE1  HIS  12           1HE      HIS  12  -7.215   5.716  -9.349
   87    HE2  HIS  12           2HE      HIS  12  -7.277   8.064 -10.278
   88    H    ASP  13           H        ASP  13  -1.388   5.338  -7.729
   89    HA   ASP  13           HA       ASP  13   1.281   4.973  -8.639
   90   1HB   ASP  13          2HB       ASP  13  -0.536   3.807  -6.467
   91   2HB   ASP  13          1HB       ASP  13   0.994   2.956  -6.873
   92    H    GLY  14           H        GLY  14   2.166   2.920  -9.135
   93   1HA   GLY  14          2HA       GLY  14   0.448   1.364 -10.959
   94   2HA   GLY  14          1HA       GLY  14   2.113   1.918 -11.338
   95    H    TYR  15           H        TYR  15   3.076   1.363  -8.596
   96    HA   TYR  15           HA       TYR  15   3.312  -1.513  -8.787
   97   1HB   TYR  15          2HB       TYR  15   4.974   0.727  -7.835
   98   2HB   TYR  15          1HB       TYR  15   4.793  -0.471  -6.522
   99    HD1  TYR  15           1HD      TYR  15   5.176  -2.893  -7.064
  100    HD2  TYR  15           2HD      TYR  15   6.437   0.265  -9.594
  101    HE1  TYR  15           1HE      TYR  15   6.785  -4.406  -8.146
  102    HE2  TYR  15           2HE      TYR  15   8.066  -1.232 -10.665
  103    HH   TYR  15           HH       TYR  15   8.811  -3.370 -10.853
  104    H    CYS  16           H        CYS  16   1.585   0.867  -6.876
  105    HA   CYS  16           HA       CYS  16   1.121  -1.107  -4.803
  106   1HB   CYS  16          2HB       CYS  16  -0.135   1.652  -5.080
  107   2HB   CYS  16          1HB       CYS  16  -0.213   0.555  -3.666
  108    H    LEU  17           H        LEU  17  -0.090  -2.730  -5.368
  109    HA   LEU  17           HA       LEU  17  -2.769  -2.353  -6.285
  110   1HB   LEU  17          2HB       LEU  17  -2.537  -3.854  -8.253
  111   2HB   LEU  17          1HB       LEU  17  -1.662  -2.314  -8.392
  112    HG   LEU  17           HG       LEU  17   0.477  -3.570  -7.692
  113   1HD1  LEU  17          1HD1      LEU  17  -0.396  -5.723  -6.863
  114   2HD1  LEU  17          2HD1      LEU  17   0.478  -6.026  -8.400
  115   3HD1  LEU  17          3HD1      LEU  17  -1.324  -5.980  -8.394
  116   1HD2  LEU  17          1HD2      LEU  17   0.872  -4.291 -10.029
  117   2HD2  LEU  17          2HD2      LEU  17  -0.021  -2.725  -9.980
  118   3HD2  LEU  17          3HD2      LEU  17  -0.904  -4.255 -10.359
  119    H    HIS  18           H        HIS  18  -3.695  -4.758  -6.571
  120    HA   HIS  18           HA       HIS  18  -4.285  -6.577  -5.575
  121   1HB   HIS  18          2HB       HIS  18  -1.788  -7.110  -5.545
  122   2HB   HIS  18          1HB       HIS  18  -1.799  -6.659  -3.827
  123    HD1  HIS  18           1HD      HIS  18  -3.755  -8.249  -2.437
  124    HD2  HIS  18           2HD      HIS  18  -2.065  -9.713  -5.982
  125    HE1  HIS  18           1HE      HIS  18  -3.950 -10.749  -2.349
  126    HE2  HIS  18           2HE      HIS  18  -2.977 -11.612  -4.512
  127    H    ASP  19           H        ASP  19  -5.434  -4.350  -4.862
  128    HA   ASP  19           HA       ASP  19  -6.530  -3.195  -3.400
  129   1HB   ASP  19          2HB       ASP  19  -6.581  -5.849  -1.884
  130   2HB   ASP  19          1HB       ASP  19  -7.663  -4.445  -1.540
  131    H    GLY  20           H        GLY  20  -4.379  -2.056  -3.182
  132   1HA   GLY  20          2HA       GLY  20  -3.293  -2.307  -0.473
  133   2HA   GLY  20          1HA       GLY  20  -2.534  -1.582  -1.935
  134    H    VAL  21           H        VAL  21  -3.223  -0.598   0.919
  135    HA   VAL  21           HA       VAL  21  -5.011   1.570   0.377
  136    HB   VAL  21           HB       VAL  21  -3.269   1.066   2.809
  137   1HG1  VAL  21          1HG1      VAL  21  -5.760   2.841   2.319
  138   2HG1  VAL  21          2HG1      VAL  21  -4.086   3.443   2.621
  139   3HG1  VAL  21          3HG1      VAL  21  -4.970   2.556   3.907
  140   1HG2  VAL  21          1HG2      VAL  21  -5.413   0.159   3.784
  141   2HG2  VAL  21          2HG2      VAL  21  -4.785  -0.875   2.458
  142   3HG2  VAL  21          3HG2      VAL  21  -6.172   0.235   2.155
  143    H    CYS  22           H        CYS  22  -4.335   3.313  -0.761
  144    HA   CYS  22           HA       CYS  22  -1.495   3.912  -0.835
  145   1HB   CYS  22          2HB       CYS  22  -1.924   5.353  -2.684
  146   2HB   CYS  22          1HB       CYS  22  -2.678   3.770  -2.973
  147    H    MET  23           H        MET  23  -0.541   5.573   0.244
  148    HA   MET  23           HA       MET  23  -2.266   7.826   0.996
  149   1HB   MET  23          2HB       MET  23   0.261   6.786   2.375
  150   2HB   MET  23          1HB       MET  23  -0.562   8.326   2.775
  151   1HG   MET  23          2HG       MET  23  -1.858   5.554   3.017
  152   2HG   MET  23          1HG       MET  23  -1.016   6.398   4.344
  153   1HE   MET  23          1HE       MET  23  -4.763   6.348   5.320
  154   2HE   MET  23          2HE       MET  23  -3.078   5.881   5.735
  155   3HE   MET  23          3HE       MET  23  -3.886   5.153   4.309
  156    H    TYR  24           H        TYR  24  -1.624   9.766   0.167
  157    HA   TYR  24           HA       TYR  24   1.092   9.993  -0.884
  158   1HB   TYR  24          2HB       TYR  24  -0.308   9.634  -2.899
  159   2HB   TYR  24          1HB       TYR  24  -1.514  10.825  -2.283
  160    HD1  TYR  24           1HD      TYR  24   2.256  11.116  -2.504
  161    HD2  TYR  24           2HD      TYR  24  -1.595  12.394  -3.798
  162    HE1  TYR  24           1HE      TYR  24   3.278  12.953  -3.720
  163    HE2  TYR  24           2HE      TYR  24  -0.590  14.190  -5.056
  164    HH   TYR  24           HH       TYR  24   1.312  15.276  -5.582
  165    H    ILE  25           H        ILE  25   2.086  11.641   0.229
  166    HA   ILE  25           HA       ILE  25   0.331  13.656   1.419
  167    HB   ILE  25           HB       ILE  25   2.994  12.576   2.376
  168   1HG1  ILE  25          2HG1      ILE  25   1.280  12.051   4.391
  169   2HG1  ILE  25          1HG1      ILE  25   0.120  11.863   3.050
  170   1HG2  ILE  25          1HG2      ILE  25   2.410  13.982   4.377
  171   2HG2  ILE  25          2HG2      ILE  25   0.944  14.594   3.510
  172   3HG2  ILE  25          3HG2      ILE  25   2.607  14.979   2.890
  173   1HD1  ILE  25          1HD1      ILE  25   1.212   9.690   3.737
  174   2HD1  ILE  25          2HD1      ILE  25   2.830  10.382   3.356
  175   3HD1  ILE  25          3HD1      ILE  25   1.640  10.095   2.036
  176    H    GLU  26           H        GLU  26   0.429  15.361  -0.013
  177    HA   GLU  26           HA       GLU  26   2.544  15.904  -1.659
  178   1HB   GLU  26          2HB       GLU  26   0.361  17.721  -0.540
  179   2HB   GLU  26          1HB       GLU  26   1.495  18.197  -1.850
  180   1HG   GLU  26          2HG       GLU  26   0.678  16.328  -3.272
  181   2HG   GLU  26          1HG       GLU  26  -0.555  15.902  -2.034
  182    H    ALA  27           H        ALA  27   2.072  16.962   1.676
  183    HA   ALA  27           HA       ALA  27   4.043  18.894   1.795
  184   1HB   ALA  27          1HB       ALA  27   3.283  16.843   3.960
  185   2HB   ALA  27          2HB       ALA  27   2.381  18.369   3.609
  186   3HB   ALA  27          3HB       ALA  27   4.073  18.437   4.218
  187    H    LEU  28           H        LEU  28   4.406  15.402   1.666
  188    HA   LEU  28           HA       LEU  28   7.250  15.597   2.282
  189   1HB   LEU  28          2HB       LEU  28   5.562  13.123   1.670
  190   2HB   LEU  28          1HB       LEU  28   7.226  13.173   2.325
  191    HG   LEU  28           HG       LEU  28   4.636  14.044   3.712
  192   1HD1  LEU  28          1HD1      LEU  28   4.997  11.576   3.545
  193   2HD1  LEU  28          2HD1      LEU  28   5.133  12.151   5.247
  194   3HD1  LEU  28          3HD1      LEU  28   6.620  11.761   4.309
  195   1HD2  LEU  28          1HD2      LEU  28   6.348  15.589   4.496
  196   2HD2  LEU  28          2HD2      LEU  28   7.525  14.231   4.755
  197   3HD2  LEU  28          3HD2      LEU  28   6.041  14.351   5.776
  198    H    ASP  29           H        ASP  29   5.005  15.087  -0.307
  199    HA   ASP  29           HA       ASP  29   5.094  15.004  -2.427
  200   1HB   ASP  29          2HB       ASP  29   6.969  16.622  -2.314
  201   2HB   ASP  29          1HB       ASP  29   8.137  15.258  -2.367
  202    H    LYS  30           H        LYS  30   5.714  12.783  -0.407
  203    HA   LYS  30           HA       LYS  30   6.277  10.651  -2.351
  204   1HB   LYS  30          2HB       LYS  30   6.984  10.734   0.630
  205   2HB   LYS  30          1HB       LYS  30   7.434   9.448  -0.530
  206   1HG   LYS  30          2HG       LYS  30   8.433  12.349  -0.531
  207   2HG   LYS  30          1HG       LYS  30   9.329  10.903   0.014
  208   1HD   LYS  30          2HD       LYS  30   9.256   9.971  -2.309
  209   2HD   LYS  30          1HD       LYS  30   8.260  11.364  -2.833
  210   1HE   LYS  30          2HE       LYS  30  10.672  11.557  -3.540
  211   2HE   LYS  30          1HE       LYS  30  10.094  12.951  -2.541
  212   1HZ   LYS  30          1HZ       LYS  30  11.258  12.240  -0.736
  213   2HZ   LYS  30          2HZ       LYS  30  12.337  11.815  -1.984
  214   3HZ   LYS  30          3HZ       LYS  30  11.396  10.626  -1.270
  215    H    TYR  31           H        TYR  31   5.730   8.508  -1.484
  216    HA   TYR  31           HA       TYR  31   2.905   8.578  -0.723
  217   1HB   TYR  31          2HB       TYR  31   4.201   6.243  -2.209
  218   2HB   TYR  31          1HB       TYR  31   2.509   6.812  -2.263
  219    HD1  TYR  31           1HD      TYR  31   1.957   8.743  -3.701
  220    HD2  TYR  31           2HD      TYR  31   5.892   7.180  -3.480
  221    HE1  TYR  31           1HE      TYR  31   2.542   9.979  -5.721
  222    HE2  TYR  31           2HE      TYR  31   6.499   8.403  -5.531
  223    HH   TYR  31           HH       TYR  31   4.236   9.733  -7.574
  224    H    ALA  32           H        ALA  32   2.150   6.497   0.310
  225    HA   ALA  32           HA       ALA  32   4.210   4.635   0.866
  226   1HB   ALA  32          1HB       ALA  32   2.641   5.795   3.262
  227   2HB   ALA  32          2HB       ALA  32   4.411   5.986   2.979
  228   3HB   ALA  32          3HB       ALA  32   3.737   4.359   3.332
  229    H    CYS  33           H        CYS  33   3.378   2.562   0.695
  230    HA   CYS  33           HA       CYS  33   0.442   2.416   0.570
  231   1HB   CYS  33          2HB       CYS  33   2.487   0.796  -0.998
  232   2HB   CYS  33          1HB       CYS  33   0.699   0.618  -1.064
  233    H    ASN  34           H        ASN  34  -0.593   0.712   1.543
  234    HA   ASN  34           HA       ASN  34   1.088  -1.066   3.167
  235   1HB   ASN  34          2HB       ASN  34  -0.068   0.673   4.532
  236   2HB   ASN  34          1HB       ASN  34  -1.642   0.156   3.856
  237   1HD2  ASN  34          1HD2      ASN  34   1.258  -1.461   5.468
  238   2HD2  ASN  34          2HD2      ASN  34   0.249  -2.401   6.527
  239    H    CYS  35           H        CYS  35   0.290  -3.202   3.494
  240    HA   CYS  35           HA       CYS  35  -1.729  -4.086   1.570
  241   1HB   CYS  35          2HB       CYS  35   0.965  -5.432   2.187
  242   2HB   CYS  35          1HB       CYS  35  -0.315  -6.129   1.144
  243    H    VAL  36           H        VAL  36  -2.339  -6.430   2.111
  244    HA   VAL  36           HA       VAL  36  -2.829  -6.722   4.903
  245    HB   VAL  36           HB       VAL  36  -3.224  -8.725   2.670
  246   1HG1  VAL  36          1HG1      VAL  36  -5.126  -9.470   4.151
  247   2HG1  VAL  36          2HG1      VAL  36  -4.539  -8.369   5.443
  248   3HG1  VAL  36          3HG1      VAL  36  -3.528  -9.771   4.889
  249   1HG2  VAL  36          1HG2      VAL  36  -5.583  -7.795   2.602
  250   2HG2  VAL  36          2HG2      VAL  36  -4.382  -6.619   1.997
  251   3HG2  VAL  36          3HG2      VAL  36  -5.061  -6.441   3.661
  252    H    VAL  37           H        VAL  37  -2.125  -8.642   6.108
  253    HA   VAL  37           HA       VAL  37   0.692  -8.844   5.872
  254    HB   VAL  37           HB       VAL  37  -0.420  -8.522   7.979
  255   1HG1  VAL  37          1HG1      VAL  37  -1.580 -10.362   9.126
  256   2HG1  VAL  37          2HG1      VAL  37  -1.374 -11.449   7.717
  257   3HG1  VAL  37          3HG1      VAL  37  -2.442 -10.003   7.591
  258   1HG2  VAL  37          1HG2      VAL  37   1.895  -9.489   7.842
  259   2HG2  VAL  37          2HG2      VAL  37   1.187 -11.155   7.853
  260   3HG2  VAL  37          3HG2      VAL  37   0.972 -10.078   9.270
  261    H    GLY  38           H        GLY  38   1.988 -10.474   5.232
  262   1HA   GLY  38          2HA       GLY  38   2.587 -12.514   4.580
  263   2HA   GLY  38          1HA       GLY  38   0.913 -13.103   4.816
  264    H    TYR  39           H        TYR  39   1.368 -10.320   2.831
  265    HA   TYR  39           HA       TYR  39   1.338 -11.937   0.384
  266   1HB   TYR  39          2HB       TYR  39  -0.282  -9.378   0.957
  267   2HB   TYR  39          1HB       TYR  39  -0.138 -10.179  -0.659
  268    HD1  TYR  39           1HD      TYR  39  -1.605 -10.349   2.672
  269    HD2  TYR  39           2HD      TYR  39  -1.035 -12.442  -0.978
  270    HE1  TYR  39           1HE      TYR  39  -3.283 -11.971   3.360
  271    HE2  TYR  39           2HE      TYR  39  -2.725 -14.077  -0.303
  272    HH   TYR  39           HH       TYR  39  -4.377 -13.851   2.844
  273    H    ILE  40           H        ILE  40   3.250 -11.629  -0.529
  274    HA   ILE  40           HA       ILE  40   4.756  -9.264   0.338
  275    HB   ILE  40           HB       ILE  40   6.729 -10.691   0.323
  276   1HG1  ILE  40          2HG1      ILE  40   4.710 -12.951  -0.257
  277   2HG1  ILE  40          1HG1      ILE  40   5.968 -12.333  -1.382
  278   1HG2  ILE  40          1HG2      ILE  40   5.289 -10.242   2.353
  279   2HG2  ILE  40          2HG2      ILE  40   6.192 -11.793   2.418
  280   3HG2  ILE  40          3HG2      ILE  40   4.434 -11.800   2.044
  281   1HD1  ILE  40          1HD1      ILE  40   6.755 -14.409  -0.337
  282   2HD1  ILE  40          2HD1      ILE  40   6.490 -13.743   1.311
  283   3HD1  ILE  40          3HD1      ILE  40   7.758 -13.028   0.243
  284    H    GLY  41           H        GLY  41   6.910  -9.133  -1.028
  285   1HA   GLY  41          2HA       GLY  41   7.798  -8.714  -3.053
  286   2HA   GLY  41          1HA       GLY  41   6.245  -9.111  -3.866
  287    H    GLU  42           H        GLU  42   7.687  -6.784  -4.563
  288    HA   GLU  42           HA       GLU  42   7.101  -4.573  -3.068
  289   1HB   GLU  42          2HB       GLU  42   7.501  -4.694  -6.105
  290   2HB   GLU  42          1HB       GLU  42   7.804  -3.312  -5.018
  291   1HG   GLU  42          2HG       GLU  42   9.949  -4.002  -5.164
  292   2HG   GLU  42          1HG       GLU  42   9.486  -5.108  -3.826
  293    H    ARG  43           H        ARG  43   5.127  -6.294  -5.221
  294    HA   ARG  43           HA       ARG  43   3.028  -4.227  -5.282
  295   1HB   ARG  43          2HB       ARG  43   2.272  -5.671  -7.302
  296   2HB   ARG  43          1HB       ARG  43   3.742  -4.696  -7.508
  297   1HG   ARG  43          2HG       ARG  43   5.220  -6.536  -7.270
  298   2HG   ARG  43          1HG       ARG  43   3.952  -7.623  -6.606
  299   1HD   ARG  43          2HD       ARG  43   2.822  -7.718  -8.804
  300   2HD   ARG  43          1HD       ARG  43   4.041  -6.572  -9.508
  301    HE   ARG  43           HE       ARG  43   5.663  -8.480  -8.391
  302   1HH1  ARG  43          1HH1      ARG  43   3.140  -8.480 -10.924
  303   2HH1  ARG  43          2HH1      ARG  43   3.860  -9.807 -11.769
  304   1HH2  ARG  43          1HH2      ARG  43   6.437 -10.387  -9.433
  305   2HH2  ARG  43          2HH2      ARG  43   5.883 -10.742 -11.025
  306    H    CYS  44           H        CYS  44   3.729  -6.521  -3.235
  307    HA   CYS  44           HA       CYS  44   2.723  -8.081  -2.100
  308   1HB   CYS  44          2HB       CYS  44   0.455  -6.093  -2.398
  309   2HB   CYS  44          1HB       CYS  44   0.519  -7.385  -1.157
  310    H    GLN  45           H        GLN  45   2.976  -9.434  -4.065
  311    HA   GLN  45           HA       GLN  45   0.432 -10.111  -5.374
  312   1HB   GLN  45          2HB       GLN  45   2.513  -9.057  -6.534
  313   2HB   GLN  45          1HB       GLN  45   3.343 -10.585  -6.229
  314   1HG   GLN  45          2HG       GLN  45   2.682 -10.696  -8.462
  315   2HG   GLN  45          1HG       GLN  45   1.525 -11.786  -7.630
  316   1HE2  GLN  45          1HE2      GLN  45   0.964  -8.450  -7.039
  317   2HE2  GLN  45          2HE2      GLN  45  -0.303  -8.180  -8.234
  318    H    TYR  46           H        TYR  46   3.162 -11.453  -3.615
  319    HA   TYR  46           HA       TYR  46   2.491 -14.180  -4.418
  320   1HB   TYR  46          2HB       TYR  46   4.986 -13.102  -2.983
  321   2HB   TYR  46          1HB       TYR  46   4.772 -14.744  -3.666
  322    HD1  TYR  46           1HD      TYR  46   5.580 -15.132  -5.797
  323    HD2  TYR  46           2HD      TYR  46   4.910 -11.114  -4.592
  324    HE1  TYR  46           1HE      TYR  46   6.802 -14.334  -7.756
  325    HE2  TYR  46           2HE      TYR  46   6.038 -10.307  -6.555
  326    HH   TYR  46           HH       TYR  46   7.676 -12.493  -8.838
  327    H    ARG  47           H        ARG  47   2.605 -15.828  -2.609
  328    HA   ARG  47           HA       ARG  47   1.529 -14.596  -0.161
  329   1HB   ARG  47          2HB       ARG  47   1.293 -17.369  -1.352
  330   2HB   ARG  47          1HB       ARG  47   0.809 -16.994   0.335
  331   1HG   ARG  47          2HG       ARG  47  -0.728 -15.250  -0.428
  332   2HG   ARG  47          1HG       ARG  47  -0.321 -15.559  -2.140
  333   1HD   ARG  47          2HD       ARG  47  -1.531 -17.694  -0.252
  334   2HD   ARG  47          1HD       ARG  47  -2.537 -16.613  -1.281
  335    HE   ARG  47           HE       ARG  47  -0.793 -18.841  -2.189
  336   1HH1  ARG  47          1HH1      ARG  47  -2.905 -16.116  -3.254
  337   2HH1  ARG  47          2HH1      ARG  47  -2.576 -16.470  -4.929
  338   1HH2  ARG  47          1HH2      ARG  47  -0.658 -19.326  -4.417
  339   2HH2  ARG  47          2HH2      ARG  47  -1.779 -18.554  -5.503
  340    H    ASP  48           H        ASP  48   2.262 -15.000   1.866
  341    HA   ASP  48           HA       ASP  48   4.889 -16.158   2.159
  342   1HB   ASP  48          2HB       ASP  48   4.193 -14.120   3.422
  343   2HB   ASP  48          1HB       ASP  48   2.859 -15.058   4.176
  344    H    LEU  49           H        LEU  49   4.568 -18.325   1.470
  345    HA   LEU  49           HA       LEU  49   2.458 -19.915   2.244
  346   1HB   LEU  49          2HB       LEU  49   5.258 -20.461   1.190
  347   2HB   LEU  49          1HB       LEU  49   4.219 -21.816   1.705
  348    HG   LEU  49           HG       LEU  49   2.427 -21.079   0.144
  349   1HD1  LEU  49          1HD1      LEU  49   3.036 -18.714  -0.314
  350   2HD1  LEU  49          2HD1      LEU  49   3.088 -19.671  -1.834
  351   3HD1  LEU  49          3HD1      LEU  49   4.624 -19.235  -1.008
  352   1HD2  LEU  49          1HD2      LEU  49   3.543 -22.094  -1.824
  353   2HD2  LEU  49          2HD2      LEU  49   4.015 -22.955  -0.311
  354   3HD2  LEU  49          3HD2      LEU  49   5.158 -21.793  -1.087
  355    H    LYS  50           H        LYS  50   5.124 -18.941   4.167
  356    HA   LYS  50           HA       LYS  50   5.482 -21.338   5.560
  357   1HB   LYS  50          2HB       LYS  50   6.251 -18.572   6.552
  358   2HB   LYS  50          1HB       LYS  50   7.021 -20.139   6.943
  359   1HG   LYS  50          2HG       LYS  50   7.082 -18.582   4.315
  360   2HG   LYS  50          1HG       LYS  50   8.422 -18.783   5.456
  361   1HD   LYS  50          2HD       LYS  50   7.161 -21.168   3.953
  362   2HD   LYS  50          1HD       LYS  50   8.389 -20.093   3.244
  363   1HE   LYS  50          2HE       LYS  50   9.594 -21.964   3.970
  364   2HE   LYS  50          1HE       LYS  50   9.986 -20.671   5.168
  365   1HZ   LYS  50          1HZ       LYS  50   8.656 -21.710   6.755
  366   2HZ   LYS  50          2HZ       LYS  50   9.440 -22.987   5.996
  367   3HZ   LYS  50          3HZ       LYS  50   7.835 -22.679   5.607
  368    H    TRP  51           H        TRP  51   3.252 -18.660   6.135
  369    HA   TRP  51           HA       TRP  51   2.656 -19.680   8.759
  370   1HB   TRP  51          2HB       TRP  51   1.143 -17.980   9.075
  371   2HB   TRP  51          1HB       TRP  51   2.520 -17.256   8.190
  372    HD1  TRP  51           HD       TRP  51   1.890 -16.131   5.801
  373    HE1  TRP  51           1HE      TRP  51  -0.366 -15.746   4.587
  374    HE3  TRP  51           3HE      TRP  51  -1.153 -18.857   8.806
  375    HZ2  TRP  51           2HZ      TRP  51  -3.073 -16.182   5.100
  376    HZ3  TRP  51           3HZ      TRP  51  -3.557 -18.844   8.392
  377    HH2  TRP  51           HH       TRP  51  -4.514 -17.537   6.563
  378    H    TRP  52           H        TRP  52   1.292 -19.944   5.546
  379    HA   TRP  52           HA       TRP  52  -1.105 -21.174   6.237
  380   1HB   TRP  52          2HB       TRP  52   0.624 -21.361   3.710
  381   2HB   TRP  52          1HB       TRP  52  -0.997 -22.118   3.849
  382    HD1  TRP  52           HD       TRP  52   0.566 -18.670   3.218
  383    HE1  TRP  52           1HE      TRP  52  -1.338 -17.058   2.676
  384    HE3  TRP  52           3HE      TRP  52  -3.364 -21.699   4.284
  385    HZ2  TRP  52           2HZ      TRP  52  -4.155 -17.201   2.345
  386    HZ3  TRP  52           3HZ      TRP  52  -5.629 -20.917   3.792
  387    HH2  TRP  52           HH       TRP  52  -6.022 -18.705   2.855
  388    H    GLU  53           H        GLU  53   1.911 -22.740   5.103
  389    HA   GLU  53           HA       GLU  53   0.664 -25.308   5.625
  390   1HB   GLU  53          2HB       GLU  53   1.947 -24.514   3.470
  391   2HB   GLU  53          1HB       GLU  53   3.401 -24.890   4.417
  392   1HG   GLU  53          2HG       GLU  53   2.999 -26.882   3.239
  393   2HG   GLU  53          1HG       GLU  53   2.249 -27.275   4.818
  394    H    LEU  54           H        LEU  54   1.114 -24.015   7.982
  395    HA   LEU  54           HA       LEU  54   3.499 -25.244   9.136
  396   1HB   LEU  54          2HB       LEU  54   2.814 -22.733   9.217
  397   2HB   LEU  54          1HB       LEU  54   1.632 -23.222  10.455
  398    HG   LEU  54           HG       LEU  54   4.641 -23.884  10.584
  399   1HD1  LEU  54          1HD1      LEU  54   3.249 -21.403  11.770
  400   2HD1  LEU  54          2HD1      LEU  54   4.303 -21.409  10.310
  401   3HD1  LEU  54          3HD1      LEU  54   4.995 -21.851  11.915
  402   1HD2  LEU  54          1HD2      LEU  54   2.487 -23.645  12.791
  403   2HD2  LEU  54          2HD2      LEU  54   4.231 -23.974  13.081
  404   3HD2  LEU  54          3HD2      LEU  54   3.211 -25.180  12.196