*HEADER   RNA-BINDING DOMAIN                      16-JUL-97   2SXL    
*TITLE    SEX-LETHAL RBD1, NMR, MINIMIZED AVERAGE STRUCTURE           
*COMPND   MOL_ID: 1;                                                  
*COMPND  2 MOLECULE: SEX-LETHAL PROTEIN;                              
*COMPND  3 CHAIN: NULL;                                               
*COMPND  4 FRAGMENT: RNA-BINDING DOMAIN 1 (RBD1), RESIDUES 122 - 209; 
*COMPND  5 ENGINEERED: YES;                                           
*COMPND  6 MUTATION: F166Y                                            
*SOURCE   MOL_ID: 1;                                                  
*SOURCE  2 ORGANISM_SCIENTIFIC: DROSOPHILA MELANOGASTER;              
*SOURCE  3 ORGANISM_COMMON: FRUIT FLY;                                
*SOURCE  4 GENE: SEX-LETHAL;                                          
*SOURCE  5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                       
*SOURCE  6 EXPRESSION_SYSTEM_STRAIN: BL21 (DE3);                      
*SOURCE  7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                    
*SOURCE  8 EXPRESSION_SYSTEM_PLASMID: PK7                             
*KEYWDS   RNA-BINDING DOMAIN, ALTERNATIVE SPLICING                    
*EXPDTA   NMR, MINIMIZED AVERAGE STRUCTURE                            
*AUTHOR   M.INOUE,Y.MUTO,H.SAKAMOTO,T.KIGAWA,K.TAKIO,Y.SHIMURA,       
*AUTHOR  2 S.YOKOYAMA                                                 
*REVDAT  1   22-JUL-98  2SXL   0                                      
 
 assign (resid   2 and name HN  )(resid   1 and name HA  )  2.6 0.8 0.9 
 assign (resid   2 and name HN  )(resid   1 and name HB# )  2.6 0.8 0.9 
 assign (resid   3 and name HA  )(resid   4 and name HN  )  2.2 0.4 1.3 
 assign (resid   3 and name HB1 )(resid   4 and name HN  )  2.2 0.4 1.3
 assign (resid   3 and name HD21)(resid   1 and name HB# )  3.9 2.1 2.1 
 assign (resid   3 and name HN  )(resid   2 and name HA  )  2.1 0.3 0.4 
 assign (resid   3 and name HN  )(resid   3 and name HB2 )  2.6 0.8 0.9 
 assign (resid   3 and name HN  )(resid   4 and name HN  )  2.6 0.8 0.9 
 assign (resid   3 and name HN  )(resid  55 and name HB# )  3.9 2.1 2.1 
 assign (resid   4 and name HG2#)(resid   4 and name HA  )  2.9 1.1 1.1 
 assign (resid   4 and name HG2#)(resid  52 and name HB2 )  3.9 2.1 2.1 
 assign (resid   4 and name HG2#)(resid  55 and name HB# )  3.6 1.8 2.9 
 assign (resid   4 and name HN  )(resid   4 and name HA  )  2.6 0.8 0.9 
 assign (resid   5 and name HA  )(resid  51 and name HA  )  2.6 0.8 0.9 
 assign (resid   5 and name HB# )(resid   5 and name HA  )  3.1 1.3 1.4 
 assign (resid   5 and name HD21)(resid   5 and name HB# )  3.1 1.3 1.4 
 assign (resid   5 and name HD21)(resid  49 and name HB1 )  3.4 1.6 1.6 
 assign (resid   5 and name HD22)(resid   5 and name HB# )  3.1 1.3 1.4 
 assign (resid   5 and name HN  )(resid   4 and name HA  )  2.5 0.7 1.0
 assign (resid   5 and name HN  )(resid   4 and name HN  )  2.5 0.7 1.0
 assign (resid   5 and name HN  )(resid   5 and name HA  )  2.6 0.8 0.9 
 assign (resid   5 and name HN  )(resid   5 and name HB# )  2.5 0.7 0.6 
 assign (resid   6 and name HB2 )(resid   7 and name HA  )  2.6 0.8 1.9  
 assign (resid   6 and name HG  )(resid  52 and name HB2 )  3.4 1.6 2.1  
 assign (resid   6 and name HN  )(resid   5 and name HA  )  2.1 0.3 0.4 
 assign (resid   6 and name HN  )(resid   5 and name HB# )  3.1 1.3 1.4 
 assign (resid   6 and name HN  )(resid  50 and name HB  )  2.6 0.8 2.4  
 assign (resid   6 and name HN  )(resid  50 and name HN  )  2.6 0.8 0.9 
 assign (resid   6 and name HN  )(resid  51 and name HA  )  2.6 0.8 0.9 
 assign (resid   6 and name O   )(resid  50 and name HN  )  2.0 0.2 0.2
 assign (resid   6 and name O   )(resid  50 and name N   )  2.5 0.7 0.8
 assign (resid   7 and name HA  )(resid  49 and name HA  )  2.6 0.8 0.9 
 assign (resid   7 and name HB  )(resid   7 and name HA  )  2.6 0.8 0.9 
 assign (resid   7 and name HB  )(resid  80 and name HA  )  2.6 0.8 1.9  
 assign (resid   7 and name HD1#)(resid  80 and name HA  )  3.1 1.3 1.4 
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 assign (resid   7 and name HG1#)(resid  78 and name HB# )  3.6 1.8 1.9 
 assign (resid   7 and name HG2#)(resid  80 and name HA  )  3.1 1.3 1.4 
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 assign (resid   7 and name HN  )(resid   6 and name HA  )  2.1 0.3 0.4 
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 assign (resid   7 and name HN  )(resid   6 and name HB2 )  2.6 0.8 1.9 
 assign (resid   7 and name HN  )(resid   6 and name HD2#)  3.9 2.0 2.1 
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 assign (resid   7 and name HN  )(resid  78 and name HN  )  2.6 0.8 0.9 
 assign (resid   7 and name HN  )(resid  79 and name HN  )  2.6 0.8 2.4  
 assign (resid   7 and name HN  )(resid  80 and name HN  )  2.2 0.4 1.3
 assign (resid   8 and name HB  )(resid   7 and name HA  )  3.4 1.6 1.6 
 assign (resid   8 and name HG1#)(resid   8 and name HA  )  2.9 1.1 1.1 
 assign (resid   8 and name HG2#)(resid   8 and name HA  )  2.9 1.1 1.1 
 assign (resid   8 and name HG2#)(resid  77 and name HA  )  3.9 2.1 2.1 
 assign (resid   8 and name HN  )(resid   7 and name HA  )  2.1 0.3 0.4 
 assign (resid   8 and name HN  )(resid   7 and name HB  )  2.6 0.8 0.9 
 assign (resid   8 and name HN  )(resid   8 and name HA  )  2.6 0.8 0.9 
 assign (resid   8 and name HN  )(resid   8 and name HB  )  2.6 0.8 0.9 
 assign (resid   8 and name HN  )(resid   8 and name HG2#)  2.6 0.8 0.9 
 assign (resid   8 and name HN  )(resid  49 and name HA  )  3.4 1.6 1.6 
 assign (resid   8 and name HN  )(resid  50 and name HG2#)  3.9 2.1 2.1 
 assign (resid   8 and name O   )(resid  48 and name HN  )  2.0 0.2 0.2
 assign (resid   8 and name O   )(resid  48 and name N   )  2.5 0.7 0.8
 assign (resid   9 and name HA  )(resid  47 and name HA  )  2.6 0.8 0.9 
 assign (resid   9 and name HB1 )(resid   9 and name HA  )  2.6 0.8 0.9 
 assign (resid   9 and name HB1 )(resid  47 and name HB2 )  3.4 1.6 1.6  
 assign (resid   9 and name HD21)(resid   7 and name HD1#)  3.1 1.3 1.9 
 assign (resid   9 and name HD21)(resid   9 and name HB1 )  2.6 0.8 0.9 
 assign (resid   9 and name HD21)(resid   9 and name HB2 )  3.4 1.6 1.6 
 assign (resid   9 and name HD21)(resid  47 and name HA  )  3.4 1.6 1.6 
 assign (resid   9 and name HD21)(resid  47 and name HB2 )  3.4 1.6 1.6 
 assign (resid   9 and name HD21)(resid  76 and name HG# )  3.9 2.1 2.1 
 assign (resid   9 and name HD22)(resid  47 and name HA  )  3.4 1.6 1.6 
 assign (resid   9 and name HN  )(resid   8 and name HA  )  2.1 0.3 0.4 
 assign (resid   9 and name HN  )(resid   8 and name HG1#)  3.1 1.3 1.4 
 assign (resid   9 and name HN  )(resid   9 and name HB2 )  2.6 0.8 0.9 
 assign (resid   9 and name HN  )(resid  10 and name HN  )  3.4 1.6 1.6 
 assign (resid   9 and name HN  )(resid  75 and name HA  )  3.4 1.6 1.6 
 assign (resid   9 and name HN  )(resid  75 and name HD1#)  3.4 1.6 1.6 
 assign (resid   9 and name HN  )(resid  76 and name HB2 )  2.6 0.8 0.9 
 assign (resid   9 and name HN  )(resid  76 and name HN  )  2.6 0.8 1.4  
 assign (resid   9 and name O   )(resid  76 and name HN  )  2.0 0.2 0.2
 assign (resid   9 and name O   )(resid  76 and name N   )  2.5 0.7 0.8
 assign (resid  10 and name HA  )(resid   9 and name HA  )  2.6 0.8 2.4  
 assign (resid  10 and name HB2 )(resid  76 and name HA  )  3.4 1.6 1.6 
 assign (resid  10 and name HD# )(resid   9 and name HA  )  4.4 2.6 2.6 
 assign (resid  10 and name HD# )(resid   9 and name HB1 )  4.4 2.6 2.6 
 assign (resid  10 and name HD# )(resid  10 and name HA  )  3.1 1.3 1.4 
 assign (resid  10 and name HD# )(resid  74 and name HB# )  4.9 3.1 0.1 
 assign (resid  10 and name HD# )(resid  75 and name HA  )  4.4 2.6 2.6 
 assign (resid  10 and name HD# )(resid  76 and name HB1 )  4.2 2.4 2.3 
 assign (resid  10 and name HD# )(resid  76 and name HB2 )  3.6 1.8 1.9  
 assign (resid  10 and name HE# )(resid  76 and name HB1 )  3.6 1.8 1.9 
 assign (resid  10 and name HE# )(resid  76 and name HB2 )  3.6 1.8 1.9  
 assign (resid  10 and name HN  )(resid   9 and name HA  )  2.6 0.8 0.9 
 assign (resid  10 and name HN  )(resid  10 and name HA  )  3.4 1.6 1.6 
 assign (resid  10 and name HN  )(resid  10 and name HB1 )  3.4 1.6 1.6 
 assign (resid  10 and name HN  )(resid  10 and name HB2 )  2.6 0.8 0.9 
 assign (resid  10 and name HN  )(resid  46 and name HA# )  3.9 2.1 2.1 
 assign (resid  10 and name HN  )(resid  47 and name HA  )  3.4 1.6 1.6 
 assign (resid  11 and name HB1 )(resid  11 and name HA  )  2.6 0.8 0.9 
 assign (resid  11 and name HB1 )(resid  46 and name HA# )  3.9 2.1 2.1 
 assign (resid  11 and name HB2 )(resid  10 and name HA  )  3.4 1.6 2.1  
 assign (resid  11 and name HB2 )(resid  46 and name HA# )  3.9 2.1 2.1 
 assign (resid  11 and name HD1#)(resid  15 and name HG# )  2.1 0.3 3.4   
 assign (resid  11 and name HD1#)(resid  11 and name HB2 )  3.1 1.3 1.4 
 assign (resid  11 and name HD1#)(resid  46 and name HA# )  4.4 2.6 2.6 
 assign (resid  11 and name HD1#)(resid  47 and name HA  )  3.1 1.3 1.4 
 assign (resid  11 and name HD2#)(resid   8 and name HG1#)  3.1 1.3 1.4 
 assign (resid  11 and name HD2#)(resid   9 and name HA  )  3.9 2.1 2.1 
 assign (resid  11 and name HD2#)(resid  11 and name HA  )  2.6 0.8 1.9 
 assign (resid  11 and name HD2#)(resid  11 and name HB1 )  2.6 0.8 0.9 
 assign (resid  11 and name HD2#)(resid  12 and name HD# )  3.6 1.8 1.9 
 assign (resid  11 and name HD2#)(resid  47 and name HA  )  3.9 2.1 2.1 
 assign (resid  11 and name HN  )(resid   9 and name HA  )  3.4 1.6 1.6 
 assign (resid  11 and name HN  )(resid  10 and name HA  )  2.6 0.8 0.9 
 assign (resid  11 and name HN  )(resid  10 and name HB1 )  3.4 1.6 1.6 
 assign (resid  11 and name HN  )(resid  11 and name HA  )  2.6 0.8 0.9 
 assign (resid  11 and name HN  )(resid  11 and name HB2 )  2.6 0.8 0.9 
 assign (resid  11 and name HN  )(resid  11 and name HD2#)  3.1 1.3 1.4 
 assign (resid  11 and name HN  )(resid  46 and name HA# )  3.9 2.1 2.1 
 assign (resid  11 and name HN  )(resid  47 and name HA  )  3.4 1.6 1.6 
 assign (resid  13 and name HB1 )(resid  13 and name HA  )  2.6 0.8 0.9 
 assign (resid  13 and name HN  )(resid  12 and name HA  )  2.1 0.3 1.4  
 assign (resid  13 and name HN  )(resid  13 and name HA  )  2.6 0.8 0.9 
 assign (resid  13 and name HN  )(resid  13 and name HG# )  3.1 1.3 1.4 
 assign (resid  13 and name HN  )(resid  14 and name HN  )  2.6 0.8 0.9 
 assign (resid  13 and name HN  )(resid  35 and name HG2#)  3.9 2.1 2.1 
 assign (resid  14 and name HB1 )(resid  14 and name HA  )  2.6 0.8 0.9 
 assign (resid  14 and name HB2 )(resid  14 and name HA  )  2.6 0.8 0.9 
 assign (resid  14 and name HN  )(resid  11 and name HB2 )  2.6 0.8 2.4  
 assign (resid  14 and name HN  )(resid  12 and name HB# )  3.1 1.3 1.4 
 assign (resid  14 and name HN  )(resid  13 and name HA  )  2.6 0.8 0.9 
 assign (resid  14 and name HN  )(resid  13 and name HB# )  3.1 1.3 1.4 
 assign (resid  14 and name HN  )(resid  14 and name HA  )  2.6 0.8 0.9 
 assign (resid  14 and name HN  )(resid  14 and name HB1 )  2.6 0.8 0.9 
 assign (resid  14 and name HN  )(resid  15 and name HN  )  2.6 0.8 0.9 
 assign (resid  15 and name HN  )(resid  15 and name HA  )  2.6 0.8 0.9 
 assign (resid  15 and name HN  )(resid  15 and name HB2 )  2.1 0.3 1.4  
 assign (resid  16 and name HG2#)(resid  15 and name HA  )  3.9 2.1 2.1 
 assign (resid  16 and name HG2#)(resid  16 and name HA  )  2.1 0.3 1.4  
 assign (resid  16 and name HG2#)(resid  19 and name HG2 )  3.9 2.1 2.1 
 assign (resid  16 and name HG2#)(resid 19 and name HG#  )  2.2 0.4 2.8
 assign (resid  16 and name HN  )(resid  15 and name HA  )  2.1 0.3 0.4  
 assign (resid  16 and name HN  )(resid  15 and name HG# )  3.1 1.3 1.4 
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 assign (resid  16 and name HN  )(resid  16 and name HG2#)  2.6 0.8 1.9  
 assign (resid  16 and name HN  )(resid  17 and name HN  )  3.4 1.6 1.6 
 assign (resid  16 and name O   )(resid  20 and name HN  )  2.0 0.2 0.2
 assign (resid  16 and name O   )(resid  20 and name N   )  2.5 0.7 0.8
 assign (resid  17 and name HB1 )(resid  17 and name HA  )  2.1 0.3 1.4 
 assign (resid  17 and name HN  )(resid  16 and name HA  )  2.1 0.3 1.4  
 assign (resid  17 and name HN  )(resid  16 and name HB  )  2.6 0.8 0.9 
 assign (resid  17 and name HN  )(resid  16 and name HG2#)  3.1 1.3 1.9
 assign (resid  17 and name HN  )(resid  16 and name HN  )  3.4 1.6 1.6 
 assign (resid  17 and name HN  )(resid  17 and name HA  )  2.6 0.8 0.9 
 assign (resid  17 and name HN  )(resid  17 and name HB2 )  2.6 0.8 0.9 
 assign (resid  17 and name HN  )(resid  18 and name HN  )  2.6 0.8 0.9 
 assign (resid  17 and name HN  )(resid  35 and name HG1#)  3.1 1.3 1.4 
 assign (resid  17 and name O   )(resid  21 and name HN  )  2.0 0.2 0.2
 assign (resid  17 and name O   )(resid  21 and name N   )  2.5 0.7 0.8
 assign (resid  18 and name HB# )(resid  18 and name HA  )  3.1 1.3 1.4 
 assign (resid  18 and name HB# )(resid  21 and name HB# )  3.6 1.8 1.9 
 assign (resid  18 and name HG# )(resid  18 and name HA  )  2.9 1.1 1.1 
 assign (resid  18 and name HN  )(resid  16 and name HA  )  3.4 1.6 1.6 
 assign (resid  18 and name HN  )(resid  16 and name HB  )  2.6 0.8 0.9 
 assign (resid  18 and name HN  )(resid  16 and name HN  )  3.4 1.6 1.6 
 assign (resid  18 and name HN  )(resid  17 and name HB2 )  2.6 0.8 0.9  
 assign (resid  18 and name HN  )(resid  18 and name HA  )  2.6 0.8 0.9 
 assign (resid  18 and name HN  )(resid  18 and name HD# )  3.9 2.1 2.1 
 assign (resid  18 and name HN  )(resid  18 and name HG# )  3.1 1.3 1.4 
 assign (resid  18 and name HN  )(resid  19 and name HN  )  2.6 0.8 0.9 
 assign (resid  18 and name HN  )(resid  35 and name HG1#)  3.1 1.3 2.9 
 assign (resid  18 and name O   )(resid  22 and name HN  )  2.0 0.2 0.2
 assign (resid  18 and name O   )(resid  22 and name N   )  2.5 0.7 0.8
 assign (resid  19 and name HB1 )(resid  19 and name HA  )  2.6 0.8 0.9 
 assign (resid  19 and name HB1 )(resid  19 and name HN  )  2.6 0.8 0.9 
 assign (resid  19 and name HB2 )(resid  19 and name HA  )  2.6 0.8 0.9 
 assign (resid  19 and name HN  )(resid  16 and name HB  )  3.4 1.6 1.6 
 assign (resid  19 and name HN  )(resid  18 and name HG# )  3.9 2.1 2.1 
 assign (resid  19 and name HN  )(resid  19 and name HA  )  2.6 0.8 0.9 
 assign (resid  20 and name HB1 )(resid  20 and name HA  )  2.6 0.8 2.4  
 assign (resid  20 and name HD1#)(resid  17 and name HA  )  2.2 0.4 1.3 
 assign (resid  20 and name HD2#)(resid  20 and name HA  )  3.1 1.3 1.4 
 assign (resid  20 and name HD2#)(resid  23 and name HG  )  2.2 0.4 3.3 
 assign (resid  20 and name HN  )(resid  17 and name HA  )  2.6 0.8 0.9 
 assign (resid  20 and name HN  )(resid  19 and name HB2 )  2.6 0.8 0.9 
 assign (resid  20 and name HN  )(resid  19 and name HG1 )  2.6 0.8 0.9 
 assign (resid  20 and name HN  )(resid  19 and name HN  )  2.6 0.8 0.9 
 assign (resid  20 and name HN  )(resid  20 and name HA  )  2.1 0.3 1.4 
 assign (resid  20 and name HN  )(resid  20 and name HB2 )  2.1 0.3 0.4 
 assign (resid  20 and name HN  )(resid  21 and name HN  )  2.1 0.3 0.4 
 assign (resid  20 and name O   )(resid  24 and name HN  )  2.0 0.2 0.2
 assign (resid  20 and name O   )(resid  24 and name N   )  2.5 0.7 0.8
 assign (resid  21 and name HB# )(resid  18 and name HA  )  3.1 1.3 1.4 
 assign (resid  21 and name HD# )(resid  18 and name HA  )  3.6 1.8 1.9 
 assign (resid  21 and name HD# )(resid  21 and name HA  )  3.1 1.3 1.4 
 assign (resid  21 and name HD# )(resid  22 and name HN  )  3.6 1.8 1.9 
 assign (resid  21 and name HD# )(resid  24 and name HD# )  4.2 2.4 2.3 
 assign (resid  21 and name HD# )(resid  25 and name HG# )  3.6 1.8 1.9 
 assign (resid  21 and name HD# )(resid  25 and name HN  )  4.4 2.6 2.6 
 assign (resid  21 and name HD# )(resid  30 and name HG2#)  4.2 2.4 3.8 
 assign (resid  21 and name HD1 )(resid  33 and name HB1 )  3.6 1.8 1.4  
 assign (resid  21 and name HD1 )(resid  33 and name HB2 )  3.6 1.8 1.4  
 assign (resid  21 and name HE# )(resid  24 and name HB2 )  3.6 1.8 3.4 
 assign (resid  21 and name HE# )(resid  25 and name HG# )  4.2 2.4 2.3 
 assign (resid  21 and name HE# )(resid  30 and name HB  )  3.6 1.8 1.9 
 assign (resid  21 and name HE# )(resid  30 and name HD1#)  4.2 2.4 2.3 
 assign (resid  21 and name HE# )(resid  30 and name HG2#)  4.2 2.4 3.8 
 assign (resid  21 and name HE# )(resid  30 and name HN  )  4.4 2.6 2.6 
 assign (resid  21 and name HN  )(resid  18 and name HA  )  2.6 0.8 0.9 
 assign (resid  21 and name HN  )(resid  19 and name HA  )  2.6 0.8 2.4  
 assign (resid  21 and name HN  )(resid  19 and name HB# )  3.9 2.1 2.1 
 assign (resid  21 and name HN  )(resid  20 and name HB2 )  2.6 0.8 0.9 
 assign (resid  21 and name HN  )(resid  20 and name HD2#)  4.6 2.8 0.4 
 assign (resid  21 and name HN  )(resid  20 and name HN  )  2.1 0.3 0.4 
 assign (resid  21 and name HN  )(resid  21 and name HA  )  2.6 0.8 0.9 
 assign (resid  21 and name HN  )(resid  21 and name HD# )  3.6 1.8 1.9 
 assign (resid  21 and name HN  )(resid  22 and name HN  )  2.1 0.3 0.4 
 assign (resid  21 and name HN  )(resid  24 and name HN  )  3.4 1.6 1.6 
 assign (resid  21 and name O   )(resid  25 and name HN  )  2.0 0.2 0.2
 assign (resid  21 and name O   )(resid  25 and name N   )  2.5 0.7 0.8
 assign (resid  22 and name HB# )(resid  19 and name HA  )  2.6 0.8 0.9 
 assign (resid  22 and name HN  )(resid  21 and name HB# )  3.1 1.3 1.4 
 assign (resid  22 and name HN  )(resid  21 and name HD# )  3.6 1.8 1.9 
 assign (resid  22 and name HN  )(resid  22 and name HA  )  2.6 0.8 0.9 
 assign (resid  22 and name HN  )(resid  23 and name HN  )  2.6 0.8 0.9 
 assign (resid  23 and name HD1#)(resid  23 and name HA  )  2.6 0.8 1.9 
 assign (resid  23 and name HD1#)(resid  68 and name HB  )  2.6 0.8 2.4 
 assign (resid  23 and name HD2#)(resid  23 and name HA  )  3.1 1.3 1.4 
 assign (resid  23 and name HD2#)(resid  23 and name HB2 )  2.6 0.8 0.9 
 assign (resid  23 and name HN  )(resid  22 and name HA  )  2.6 0.8 0.9 
 assign (resid  23 and name HN  )(resid  22 and name HB# )  2.6 0.8 0.9 
 assign (resid  23 and name HN  )(resid  23 and name HA  )  2.1 0.3 1.4  
 assign (resid  23 and name HN  )(resid  23 and name HD2#)  3.1 1.3 1.4 
 assign (resid  23 and name O   )(resid  27 and name HN  )  2.0 0.2 0.2
 assign (resid  23 and name O   )(resid  27 and name N   )  2.5 0.7 0.8
 assign (resid  24 and name HB1 )(resid  21 and name HA  )  3.4 1.6 1.6 
 assign (resid  24 and name HB1 )(resid  24 and name HA  )  2.6 0.8 0.9 
 assign (resid  24 and name HB2 )(resid  21 and name HA  )  2.6 0.8 0.9 
 assign (resid  24 and name HD# )(resid  20 and name HD1#)  4.9 3.1 1.1 
 assign (resid  24 and name HD# )(resid  20 and name HD2#)  4.9 3.1 1.1 
 assign (resid  24 and name HD# )(resid  23 and name HB2 )  3.6 1.8 2.9 
 assign (resid  24 and name HD# )(resid  23 and name HD2#)  4.2 2.4 2.8 
 assign (resid  24 and name HD# )(resid  23 and name HG  )  3.5 1.3 2.4  
 assign (resid  24 and name HD# )(resid  24 and name HA  )  3.1 1.3 1.4 
 assign (resid  24 and name HD# )(resid  24 and name HB1 )  2.6 0.8 0.9 
 assign (resid  24 and name HD# )(resid  24 and name HB2 )  3.1 1.3 1.4 
 assign (resid  24 and name HD# )(resid  24 and name HE# )  3.1 1.3 1.4 
 assign (resid  24 and name HD# )(resid  24 and name HN  )  3.6 1.8 1.9 
 assign (resid  24 and name HD# )(resid  25 and name HN  )  4.4 2.6 2.6 
 assign (resid  24 and name HD# )(resid  27 and name HB  )  4.4 2.6 2.6 
 assign (resid  24 and name HD# )(resid  30 and name HB  )  3.6 1.8 3.4 
 assign (resid  24 and name HD# )(resid  30 and name HD1#)  4.2 2.4 2.3 
 assign (resid  24 and name HD# )(resid  50 and name HG1#)  4.2 2.4 2.3 
 assign (resid  24 and name HD# )(resid  52 and name HE# )  4.2 2.4 2.3 
 assign (resid  24 and name HD# )(resid  52 and name HZ  )  3.6 1.8 1.9 
 assign (resid  24 and name HD# )(resid  65 and name HD1#)  4.2 2.4 2.3 
 assign (resid  24 and name HE# )(resid   8 and name HG2#)  3.6 1.8 1.9 
 assign (resid  24 and name HE# )(resid  20 and name HA  )  3.6 1.8 1.9 
 assign (resid  24 and name HE# )(resid  20 and name HD2#)  4.9 3.1 3.0 
 assign (resid  24 and name HE# )(resid  23 and name HB2 )  3.6 1.8 1.9 
 assign (resid  24 and name HE# )(resid  23 and name HG  )  3.1 1.3 2.4 
 assign (resid  24 and name HE# )(resid  30 and name HG1#)  4.2 2.4 2.3 
 assign (resid  24 and name HE# )(resid  50 and name HB  )  3.6 1.8 1.9 
 assign (resid  24 and name HE# )(resid  50 and name HG2#)  4.2 2.4 2.3 
 assign (resid  24 and name HE# )(resid  65 and name HD1#)  4.2 2.4 2.3 
 assign (resid  24 and name HE# )(resid  65 and name HG  )  4.4 2.6 2.6 
 assign (resid  24 and name HE# )(resid  77 and name HG2#)  4.4 2.6 2.5 
 assign (resid  24 and name HN  )(resid  21 and name HA  )  2.6 0.8 0.9 
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 assign (resid  24 and name HN  )(resid  23 and name HA  )  2.6 0.8 2.4  
 assign (resid  24 and name HN  )(resid  23 and name HB2 )  2.1 0.3 0.4 
 assign (resid  24 and name HN  )(resid  23 and name HG  )  3.4 1.6 1.6 
 assign (resid  24 and name HN  )(resid  23 and name HN  )  2.1 0.3 0.4 
 assign (resid  24 and name HN  )(resid  24 and name HA  )  2.6 0.8 0.9 
 assign (resid  24 and name HN  )(resid  24 and name HB2 )  2.6 0.8 0.9 
 assign (resid  24 and name HN  )(resid  26 and name HN  )  3.4 1.6 1.6 
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 assign (resid  24 and name HN  )(resid  30 and name HD1#)  3.1 1.3 2.9 
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 assign (resid  25 and name HN  )(resid  24 and name HD# )  3.6 1.8 1.9 
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 assign (resid  26 and name HB# )(resid  27 and name HA  )  3.9 2.1 2.1 
 assign (resid  26 and name HN  )(resid  24 and name HA  )  2.6 0.8 0.9 
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 assign (resid  26 and name HN  )(resid  26 and name HA  )  2.6 0.8 0.9 
 assign (resid  26 and name HN  )(resid  26 and name HB# )  2.5 0.7 0.6 
 assign (resid  26 and name HN  )(resid  27 and name HB  )  3.4 1.6 1.6 
 assign (resid  26 and name HN  )(resid  27 and name HD1#)  3.9 2.1 2.1 
 assign (resid  26 and name HN  )(resid  27 and name HG1#)  3.9 2.1 2.1 
 assign (resid  27 and name HB  )(resid  24 and name HA  )  3.4 1.6 1.6 
 assign (resid  27 and name HG1#)(resid  24 and name HA  )  3.9 2.1 2.1 
 assign (resid  27 and name HG1#)(resid  27 and name HA  )  3.4 1.6 1.6 
 assign (resid  27 and name HG1#)(resid  27 and name HB  )  2.6 0.8 0.9 
 assign (resid  27 and name HG2#)(resid  24 and name HA  )  3.1 1.3 1.4 
 assign (resid  27 and name HG2#)(resid  27 and name HA  )  2.1 0.3 1.4  
 assign (resid  27 and name HG2#)(resid  28 and name HA# )  4.4 2.6 2.6 
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 assign (resid  27 and name HN  )(resid  26 and name HA  )  2.6 0.8 0.9 
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 assign (resid  27 and name HN  )(resid  26 and name HN  )  2.6 0.8 0.9 
 assign (resid  27 and name HN  )(resid  27 and name HA  )  2.6 0.8 0.9 
 assign (resid  27 and name HN  )(resid  27 and name HB  )  2.1 0.3 1.4  
 assign (resid  27 and name HN  )(resid  27 and name HG1#)  2.6 0.8 0.9 
 assign (resid  27 and name HN  )(resid  28 and name HN  )  2.6 0.8 0.9 
 assign (resid  27 and name HN  )(resid  65 and name HD1#)  3.9 2.1 2.1 
 assign (resid  28 and name HA# )(resid  28 and name HA# )  3.6 1.8 1.9 
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 assign (resid  28 and name HN  )(resid  27 and name HB  )  2.1 0.3 0.4 
 assign (resid  28 and name HN  )(resid  27 and name HG2#)  3.1 1.3 1.4 
 assign (resid  28 and name HN  )(resid  28 and name HA  )  2.6 0.8 0.9 
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 assign (resid  30 and name HD1#)(resid  30 and name HB  )  2.6 0.8 0.9 
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 assign (resid  30 and name HG1#)(resid  25 and name HA  )  3.9 2.1 2.1 
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 assign (resid  32 and name HB  )(resid  33 and name HA  )  3.4 1.6 1.6 
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 assign (resid  32 and name HN  )(resid  30 and name HG2#)  3.1 1.3 1.4 
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 assign (resid  33 and name HB1 )(resid  33 and name HA  )  2.6 0.8 0.9 
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 assign (resid  33 and name HN  )(resid  33 and name HA  )  2.6 0.8 0.9 
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 assign (resid  47 and name HD# )(resid  47 and name HB2 )  2.6 0.8 0.9 
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 assign (resid  47 and name HD# )(resid  48 and name HN  )  3.6 1.8 1.9 
 assign (resid  47 and name HD# )(resid  49 and name HE# )  4.7 2.9 2.8 
 assign (resid  47 and name HE# )(resid   7 and name HD1#)  4.2 2.4 2.3 
 assign (resid  47 and name HE# )(resid  36 and name HB1 )  3.6 1.8 1.9 
 assign (resid  47 and name HE# )(resid  36 and name HG1 )  3.6 1.8 1.9 
 assign (resid  47 and name HE# )(resid  36 and name HG2 )  3.6 1.8 1.9 
 assign (resid  47 and name HE# )(resid  47 and name HB1 )  3.9 2.1 2.1 
 assign (resid  47 and name HE# )(resid  47 and name HB2 )  3.1 1.3 1.4 
 assign (resid  47 and name HE# )(resid  49 and name HE# )  4.2 2.4 2.3 
 assign (resid  47 and name HN  )(resid  45 and name HD# )  4.4 2.6 2.6 
 assign (resid  47 and name HN  )(resid  45 and name HE# )  4.4 2.6 2.6 
 assign (resid  47 and name HN  )(resid  46 and name HA# )  3.9 2.1 2.1 
 assign (resid  47 and name HN  )(resid  46 and name HN  )  2.6 0.8 0.9 
 assign (resid  47 and name HN  )(resid  47 and name HA  )  2.6 0.8 0.9 
 assign (resid  47 and name HN  )(resid  47 and name HD# )  3.6 1.8 1.9 
 assign (resid  47 and name HN  )(resid  48 and name HB# )  3.9 2.1 2.1 
 assign (resid  47 and name HN  )(resid  48 and name HN  )  2.6 0.8 2.4  
 assign (resid  47 and name O   )(resid  36 and name HN  )  2.0 0.2 0.2
 assign (resid  47 and name O   )(resid  36 and name N   )  2.5 0.7 0.8
 assign (resid  48 and name HA  )(resid  35 and name HG1#)  2.1 0.3 2.9  
 assign (resid  48 and name HA  )(resid  35 and name HG2#)  2.1 0.3 2.9  
 assign (resid  48 and name HB# )(resid  17 and name HB# )  4.4 2.6 2.6 
 assign (resid  48 and name HB# )(resid  35 and name HA  )  3.1 1.3 1.4 
 assign (resid  48 and name HN  )(resid  47 and name HA  )  2.1 0.3 1.4  
 assign (resid  48 and name HN  )(resid  47 and name HB1 )  2.6 0.8 1.9  
 assign (resid  48 and name HN  )(resid  47 and name HD# )  3.6 1.8 1.9 
 assign (resid  48 and name HN  )(resid  47 and name HN  )  2.6 0.8 2.4  
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 assign (resid  48 and name HN  )(resid  48 and name HB# )  2.5 0.7 0.6 
 assign (resid  48 and name O   )(resid  8 and name HN   )  2.0 0.2 0.2
 assign (resid  48 and name O   )(resid  8 and name N    )  2.5 0.7 0.8
 assign (resid  49 and name HB1 )(resid   7 and name HA  )  3.4 1.6 1.6 
 assign (resid  49 and name HB1 )(resid  49 and name HA  )  2.6 0.8 0.9 
 assign (resid  49 and name HB1 )(resid  50 and name HA  )  3.4 1.6 1.6 
 assign (resid  49 and name HD# )(resid   7 and name HA  )  4.4 2.6 2.6 
 assign (resid  49 and name HD# )(resid   7 and name HB  )  3.6 1.8 1.9 
 assign (resid  49 and name HD# )(resid   7 and name HG2#)  4.9 3.1 3.1 
 assign (resid  49 and name HD# )(resid  36 and name HE# )  4.9 3.1 3.1 
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 assign (resid  49 and name HD# )(resid  49 and name HA  )  3.1 1.3 1.4 
 assign (resid  49 and name HD# )(resid  80 and name HB# )  4.2 2.4 2.3 
 assign (resid  49 and name HE# )(resid   7 and name HA  )  4.4 2.6 2.6 
 assign (resid  49 and name HE# )(resid   7 and name HB  )  3.6 1.8 1.9 
 assign (resid  49 and name HE# )(resid   7 and name HD1#)  3.6 1.8 2.9 
 assign (resid  49 and name HE# )(resid   7 and name HG2#)  4.2 2.4 2.3 
 assign (resid  49 and name HE# )(resid  36 and name HB2 )  4.4 2.6 2.6 
 assign (resid  49 and name HE# )(resid  36 and name HG1 )  3.6 1.8 1.9 
 assign (resid  49 and name HE# )(resid  36 and name HG2 )  3.6 1.8 1.9 
 assign (resid  49 and name HE# )(resid  47 and name HE# )  4.7 2.9 2.8 
 assign (resid  49 and name HE# )(resid  80 and name HA  )  4.4 2.6 2.6 
 assign (resid  49 and name HE# )(resid  80 and name HB# )  3.6 1.8 1.9 
 assign (resid  49 and name HE# )(resid 36 and name HE#  )  4.2 2.4 2.3 
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 assign (resid  49 and name HN  )(resid  49 and name HA  )  2.6 0.8 0.9 
 assign (resid  49 and name HN  )(resid  49 and name HB2 )  2.6 0.8 0.9 
 assign (resid  49 and name HN  )(resid  50 and name HG2#)  3.9 2.1 2.1 
 assign (resid  49 and name O   )(resid  34 and name HN  )  2.0 0.2 0.2
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 assign (resid  50 and name HA  )(resid  33 and name HA  )  2.6 0.8 0.9 
 assign (resid  50 and name HB  )(resid   6 and name HB2 )  2.6 0.8 0.9 
 assign (resid  50 and name HG1#)(resid   6 and name HD1#)  4.4 2.6 2.5 
 assign (resid  50 and name HG1#)(resid   8 and name HG1#)  3.6 1.8 3.4 
 assign (resid  50 and name HG1#)(resid   8 and name HG2#)  4.4 2.6 2.6 
 assign (resid  50 and name HG1#)(resid  24 and name HB2 )  3.1 1.3 1.4 
 assign (resid  50 and name HG1#)(resid  33 and name HB1 )  3.1 1.3 1.4 
 assign (resid  50 and name HG1#)(resid  33 and name HB2 )  3.9 2.1 2.1 
 assign (resid  50 and name HG1#)(resid  50 and name HA  )  2.9 1.1 1.1 
 assign (resid  50 and name HG1#)(resid  51 and name HA  )  3.9 2.1 2.1 
 assign (resid  50 and name HG2#)(resid   8 and name HG2#)  3.1 1.3 1.4 
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 assign (resid  50 and name HG2#)(resid  33 and name HA  )  3.1 1.3 1.4 
 assign (resid  50 and name HG2#)(resid  33 and name HA  )  3.9 2.1 2.1 
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 assign (resid  50 and name HN  )(resid   7 and name HA  )  2.6 0.8 0.9 
 assign (resid  50 and name HN  )(resid  49 and name HA  )  2.1 0.3 0.4 
 assign (resid  50 and name HN  )(resid  49 and name HB1 )  2.6 0.8 0.9 
 assign (resid  50 and name HN  )(resid  50 and name HA  )  2.6 0.8 0.9 
 assign (resid  50 and name HN  )(resid  50 and name HB  )  2.6 0.8 0.9 
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 assign (resid  50 and name O   )(resid  6 and name HN   )  2.0 0.2 0.2
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 assign (resid  51 and name HB2 )(resid  32 and name HB  )  2.6 0.8 2.4  
 assign (resid  51 and name HB2 )(resid  51 and name HA  )  2.6 0.8 0.9 
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 assign (resid  51 and name HN  )(resid  32 and name HN  )  2.6 0.8 0.9 
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 assign (resid  51 and name HN  )(resid  51 and name HB2 )  2.6 0.8 0.9 
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 assign (resid  52 and name HN  )(resid  52 and name HB2 )  2.6 0.8 0.9 
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 assign (resid  52 and name HZ  )(resid  24 and name HB1 )  2.6 0.8 0.9 
 assign (resid  52 and name HZ  )(resid  24 and name HB2 )  2.6 0.8 2.4  
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 assign (resid  52 and name HZ  )(resid  27 and name HG1#)  3.9 2.1 2.1 
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 assign (resid  52 and name HZ  )(resid  30 and name HD1#)  3.9 2.1 2.1 
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 assign (resid  53 and name HB  )(resid  31 and name HA  )  3.4 1.6 1.6 
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 assign (resid  59 and name HB1 )(resid  59 and name HA  )  3.1 1.3 1.4 
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 assign (resid  61 and name HB# )(resid  27 and name HB  )  3.1 1.3 1.4 
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 assign (resid  63 and name HN  )(resid  63 and name HA  )  2.1 0.3 1.4  
 assign (resid  63 and name HN  )(resid  64 and name HG2#)  3.9 2.1 2.1 
 assign (resid  63 and name HN  )(resid  79 and name HE# )  4.4 2.6 2.6 
 assign (resid  64 and name HG1#)(resid  61 and name HA  )  3.9 2.1 2.1 
 assign (resid  64 and name HG1#)(resid  64 and name HA  )  2.5 0.7 0.6 
 assign (resid  64 and name HG2#)(resid  61 and name HA  )  3.1 1.3 1.4 
 assign (resid  64 and name HG2#)(resid  64 and name HA  )  2.5 0.7 0.6 
 assign (resid  64 and name HN  )(resid  61 and name HA  )  2.6 0.8 0.9 
 assign (resid  64 and name HN  )(resid  63 and name HB# )  3.1 1.3 1.4 
 assign (resid  64 and name HN  )(resid  63 and name HG# )  3.1 1.3 1.4 
 assign (resid  64 and name HN  )(resid  63 and name HN  )  2.6 0.8 0.9 
 assign (resid  64 and name HN  )(resid  64 and name HA  )  2.6 0.8 0.9 
 assign (resid  64 and name HN  )(resid  64 and name HB  )  2.1 0.3 0.4 
 assign (resid  64 and name HN  )(resid  64 and name HG2#)  2.6 0.8 0.9 
 assign (resid  64 and name HN  )(resid  65 and name HG  )  2.2 0.4 2.8 
 assign (resid  64 and name HN  )(resid  65 and name HN  )  2.6 0.8 0.9 
 assign (resid  65 and name HB1 )(resid  62 and name HA  )  2.6 0.8 2.4  
 assign (resid  65 and name HB1 )(resid  65 and name HA  )  2.6 0.8 0.9 
 assign (resid  65 and name HB2 )(resid  62 and name HA  )  2.6 0.8 0.9 
 assign (resid  65 and name HD1#)(resid  24 and name HA  )  3.1 1.3 1.4 
 assign (resid  65 and name HD1#)(resid  24 and name HB2 )  3.9 2.1 2.1 
 assign (resid  65 and name HD1#)(resid  27 and name HB  )  3.9 2.1 2.1 
 assign (resid  65 and name HD1#)(resid  65 and name HB1 )  2.6 0.8 0.9 
 assign (resid  65 and name HD1#)(resid  65 and name HB2 )  2.6 0.8 0.9 
 assign (resid  65 and name HD1#)(resid  68 and name HD1#)  3.6 1.8 1.9 
 assign (resid  65 and name HD1#)(resid  68 and name HG2#)  3.6 1.8 1.9 
 assign (resid  65 and name HD1#)(resid  77 and name HG* )  3.9 2.0 2.1 
 assign (resid  65 and name HD2#)(resid  65 and name HA  )  2.6 0.8 0.9 
 assign (resid  65 and name HG  )(resid   27 and name HB )  2.2 0.4 2.8
 assign (resid  65 and name HN  )(resid  61 and name HA  )  2.6 0.8 0.9 
 assign (resid  65 and name HN  )(resid  62 and name HA  )  3.4 1.6 1.6 
 assign (resid  65 and name HN  )(resid  63 and name HN  )  3.4 1.6 1.6 
 assign (resid  65 and name HN  )(resid  64 and name HA  )  2.6 0.8 0.9 
 assign (resid  65 and name HN  )(resid  64 and name HG1#)  3.1 1.3 1.4 
 assign (resid  65 and name HN  )(resid  64 and name HG2#)  3.1 1.3 1.4 
 assign (resid  65 and name HN  )(resid  65 and name HA  )  2.6 0.8 0.9 
 assign (resid  65 and name HN  )(resid  65 and name HB2 )  2.1 0.3 0.4 
 assign (resid  65 and name HN  )(resid  65 and name HD2#)  3.1 1.3 1.4 
 assign (resid  65 and name HN  )(resid  65 and name HG  )  2.6 0.8 0.9 
 assign (resid  65 and name HN  )(resid  66 and name HN  )  2.6 0.8 0.9 
 assign (resid  66 and name HA  )(resid   8 and name HA  )  3.4 1.6 2.6 
 assign (resid  66 and name HA  )(resid  76 and name HA  )  3.4 1.6 1.6 
 assign (resid  66 and name HD22)(resid  76 and name HA  )  3.4 1.6 1.6 
 assign (resid  66 and name HN  )(resid  62 and name HA  )  2.6 0.8 2.4  
 assign (resid  66 and name HN  )(resid  65 and name HA  )  3.4 1.6 1.6 
 assign (resid  66 and name HN  )(resid  66 and name HA  )  2.6 0.8 0.9 
 assign (resid  66 and name HN  )(resid  77 and name HG1#)  3.9 2.0 2.1 
 assign (resid  67 and name HA# )(resid  76 and name HA  )  3.9 2.1 2.1 
 assign (resid  67 and name HN  )(resid  66 and name HA  )  2.1 0.3 0.4 
 assign (resid  67 and name HN  )(resid  66 and name HB# )  3.1 1.3 1.4 
 assign (resid  67 and name HN  )(resid  68 and name HN  )  2.6 0.8 0.9 
 assign (resid  67 and name HN  )(resid  76 and name HA  )  2.6 0.8 0.9 
 assign (resid  67 and name HN  )(resid  76 and name HB1 )  3.4 1.6 1.6 
 assign (resid  67 and name HN  )(resid  77 and name HG1#)  3.9 2.0 2.1 
 assign (resid  68 and name HB  )(resid  68 and name HA  )  2.1 0.3 0.4 
 assign (resid  68 and name HD1#)(resid  65 and name HA  )  3.1 1.3 1.4 
 assign (resid  68 and name HG1#)(resid  65 and name HA  )  2.6 0.8 1.9  
 assign (resid  68 and name HG2#)(resid  65 and name HA  )  3.1 1.3 1.4 
 assign (resid  68 and name HG2#)(resid  65 and name HG  )  2.2 0.4 3.8 
 assign (resid  68 and name HN  )(resid  65 and name HA  )  3.4 1.6 1.6 
 assign (resid  68 and name HN  )(resid  65 and name HD2#)  3.9 2.1 2.1 
 assign (resid  68 and name HN  )(resid  66 and name HA  )  3.4 1.6 1.6 
 assign (resid  68 and name HN  )(resid  67 and name HA# )  3.1 1.3 1.4 
 assign (resid  68 and name HN  )(resid  68 and name HG2#)  2.6 0.8 0.9 
 assign (resid  69 and name HG2#)(resid  70 and name HA  )  3.9 2.1 2.1 
 assign (resid  69 and name HN  )(resid  68 and name HA  )  2.1 0.3 1.4   
 assign (resid  69 and name HN  )(resid  68 and name HB  )  2.1 0.3 0.4  
 assign (resid  69 and name HN  )(resid  68 and name HD1#)  3.1 1.3 1.4 
 assign (resid  69 and name HN  )(resid  68 and name HG1#)  2.6 0.8 0.9 
 assign (resid  69 and name HN  )(resid  68 and name HG2#)  3.1 1.3 1.4 
 assign (resid  69 and name HN  )(resid  68 and name HN  )  3.4 1.6 1.6 
 assign (resid  69 and name HN  )(resid  74 and name HA  )  2.5 0.7 2.5
 assign (resid  7 and name O    )(resid  78 and name HN  )  2.0 0.2 0.2
 assign (resid  7 and name O    )(resid  78 and name N   )  2.5 0.7 0.8
 assign (resid  70 and name HB  )(resid  70 and name HA  )  2.1 0.3 0.4 
 assign (resid  70 and name HG* )(resid  71 and name HD# )  5.1 3.3 3.3 
 assign (resid  70 and name HG* )(resid  73 and name HB1 )  3.9 2.1 2.1 
 assign (resid  70 and name HN  )(resid  69 and name HA  )  2.1 0.3 0.4  
 assign (resid  70 and name HN  )(resid  69 and name HG2#)  3.1 1.3 1.4 
 assign (resid  70 and name HN  )(resid  70 and name HB  )  2.6 0.8 0.9 
 assign (resid  70 and name HN  )(resid  73 and name HB1 )  3.4 1.6 1.6 
 assign (resid  70 and name HN  )(resid  73 and name HG# )  3.9 2.1 2.1 
 assign (resid  70 and name HN  )(resid  75 and name HD2#)  3.9 2.1 1.1 
 assign (resid  70 and name HN  )(resid  75 and name HN  )  2.4 0.6 1.1 
 assign (resid  71 and name HE  )(resid  70 and name HG* )  2.2 0.4 1.3
 assign (resid  71 and name HN  )(resid  69 and name HG2#)  3.9 2.1 2.1 
 assign (resid  71 and name HN  )(resid  70 and name HA  )  2.1 0.3 1.4  
 assign (resid  71 and name HN  )(resid  70 and name HG* )  3.9 2.0 2.1 
 assign (resid  72 and name HB# )(resid  72 and name HA  )  3.1 1.3 1.4 
 assign (resid  72 and name HN  )(resid  69 and name HG2#)  2.5 0.7 1.0
 assign (resid  72 and name HN  )(resid  70 and name HA  )  3.4 1.6 1.6 
 assign (resid  72 and name HN  )(resid  70 and name HG* )  4.6 2.8 2.8 
 assign (resid  72 and name HN  )(resid  71 and name HA  )  2.6 0.8 0.9 
 assign (resid  72 and name HN  )(resid  71 and name HB# )  3.1 1.3 2.4 
 assign (resid  72 and name HN  )(resid  73 and name HN  )  2.6 0.8 0.9 
 assign (resid  73 and name HB1 )(resid  73 and name HA  )  2.6 0.8 0.9 
 assign (resid  73 and name HN  )(resid  69 and name HG2#)  2.5 0.7 2.5
 assign (resid  73 and name HN  )(resid  70 and name HG* )  2.1 0.3 1.4   
 assign (resid  73 and name HN  )(resid  70 and name HN  )  2.1 0.3 0.4  
 assign (resid  73 and name HN  )(resid  71 and name HA  )  3.4 1.6 1.6 
 assign (resid  73 and name HN  )(resid  72 and name HA  )  2.6 0.8 0.9 
 assign (resid  73 and name HN  )(resid  72 and name HB# )  3.9 2.1 2.1 
 assign (resid  73 and name O   )(resid  70 and name HN  )  2.0 0.2 0.2
 assign (resid  73 and name O   )(resid  70 and name N   )  2.5 0.7 0.8
 assign (resid  74 and name HA  )(resid  69 and name HA  )  2.1 0.3 0.4    
 assign (resid  74 and name HA  )(resid  70 and name HN  )  2.1 0.3 1.4  
 assign (resid  74 and name HN  )(resid  73 and name HA  )  2.1 0.3 1.4 
 assign (resid  74 and name HN  )(resid  73 and name HB1 )  2.6 0.8 0.9 
 assign (resid  75 and name HB1 )(resid  66 and name HA  )  3.4 1.6 2.1  
 assign (resid  75 and name HN  )(resid  10 and name HB1 )  3.4 1.6 1.6 
 assign (resid  75 and name HN  )(resid  10 and name HB2 )  2.6 0.8 2.4 
 assign (resid  75 and name HN  )(resid  68 and name HN  )  2.1 0.3 1.4   
 assign (resid  75 and name HN  )(resid  68 and name HN  )  3.4 1.6 1.6  
 assign (resid  75 and name HN  )(resid  69 and name HA  )  2.1 0.3 1.4  
 assign (resid  75 and name HN  )(resid  70 and name HG1#)  4.6 2.8 1.4 
 assign (resid  75 and name HN  )(resid  74 and name HA  )  2.1 0.3 0.4   
 assign (resid  75 and name HN  )(resid  74 and name HN  )  2.1 0.3 2.9   
 assign (resid  75 and name HN  )(resid  74 and name HN  )  3.4 1.6 1.6 
 assign (resid  75 and name HN  )(resid  75 and name HA  )  2.6 0.8 0.9 
 assign (resid  75 and name HN  )(resid  75 and name HB2 )  2.6 0.8 0.9 
 assign (resid  75 and name HN  )(resid  75 and name HD2#)  3.1 1.3 1.4 
 assign (resid  76 and name HB1 )(resid  76 and name HA  )  2.6 0.8 0.9 
 assign (resid  76 and name HB2 )(resid   8 and name HA  )  3.4 1.6 1.6 
 assign (resid  76 and name HB2 )(resid   9 and name HB2 )  2.1 0.3 0.4 
 assign (resid  76 and name HN  )(resid  10 and name HD# )  2.6 0.8 2.4 
 assign (resid  76 and name HN  )(resid  75 and name HA  )  2.1 0.3 1.4  
 assign (resid  76 and name HN  )(resid  75 and name HB1 )  2.6 0.8 0.9 
 assign (resid  76 and name HN  )(resid  75 and name HD1#)  3.9 2.1 2.1 
 assign (resid  76 and name HN  )(resid  75 and name HN  )  2.1 0.3 2.9  
 assign (resid  76 and name O   )(resid  9  and name N   )  2.5 0.7 0.8
 assign (resid  76 and name O   )(resid  9 and name HN   )  2.0 0.2 0.2
 assign (resid  77 and name HB  )(resid  66 and name HA  )  2.6 0.8 0.9 
 assign (resid  77 and name HG* )(resid   8 and name HA  )  4.6 2.8 2.8 
 assign (resid  77 and name HG* )(resid  66 and name HA  )  4.6 2.8 2.8 
 assign (resid  77 and name HG2#)(resid  62 and name HA  )  2.6 0.8 0.9 
 assign (resid  77 and name HG2#)(resid  62 and name HG1#)  2.5 0.7 3.0 
 assign (resid  77 and name HN  )(resid  66 and name HA  )  2.6 0.8 0.9 
 assign (resid  77 and name HN  )(resid  66 and name HN  )  3.4 1.6 1.6 
 assign (resid  77 and name HN  )(resid  76 and name HA  )  2.1 0.3 0.4 
 assign (resid  77 and name HN  )(resid  76 and name HB1 )  3.4 1.6 1.6 
 assign (resid  78 and name HN  )(resid   6 and name HB1 )  3.4 1.6 1.6 
 assign (resid  78 and name HN  )(resid   6 and name HD2#)  4.6 2.8 2.8 
 assign (resid  78 and name HN  )(resid   7 and name HG1#)  3.1 1.3 1.4 
 assign (resid  78 and name HN  )(resid   8 and name HA  )  3.4 1.6 1.6 
 assign (resid  78 and name HN  )(resid  77 and name HA  )  3.4 1.6 1.6 
 assign (resid  78 and name HN  )(resid  77 and name HB  )  3.4 1.6 1.6 
 assign (resid  78 and name HN  )(resid  77 and name HG2#)  3.9 2.0 2.1 
 assign (resid  78 and name HN  )(resid  78 and name HA  )  2.6 0.8 0.9 
 assign (resid  78 and name O   )(resid  7 and name HN   )  2.0 0.2 0.2
 assign (resid  78 and name O   )(resid  7 and name N    )  2.5 0.7 0.8
 assign (resid  79 and name HB1 )(resid   6 and name HA  )  3.4 1.6 1.6 
 assign (resid  79 and name HD# )(resid  62 and name HD1#)  4.2 2.4 2.3 
 assign (resid  79 and name HD# )(resid  78 and name HA  )  4.4 2.6 2.6 
 assign (resid  79 and name HD# )(resid  79 and name HN  )  3.6 1.8 1.9 
 assign (resid  79 and name HE# )(resid  59 and name HG2 )  4.9 3.1 2.1 
 assign (resid  79 and name HE# )(resid  62 and name HD1#)  4.2 2.4 2.3 
 assign (resid  79 and name HE# )(resid  62 and name HG2#)  4.9 3.1 3.1 
 assign (resid  79 and name HE# )(resid  78 and name HA  )  4.4 2.6 2.6 
 assign (resid  79 and name HE# )(resid  78 and name HB# )  4.9 3.1 3.1 
 assign (resid  79 and name HN  )(resid  62 and name HD1#)  3.1 1.3 1.4 
 assign (resid  79 and name HN  )(resid  78 and name HA  )  2.6 0.8 0.9 
 assign (resid  79 and name HN  )(resid  78 and name HB# )  3.1 1.3 1.4 
 assign (resid  79 and name HN  )(resid  79 and name HB2 )  2.6 0.8 0.9 
 assign (resid  79 and name HD# )(resid  62 and name HG1#)  4.9 3.1 3.0 
 assign (resid  79 and name HE# )(resid  62 and name HG1#)  4.9 3.1 3.0 
 assign (resid  80 and name HA  )(resid   7 and name HA  )  3.4 1.6 1.6 
 assign (resid  80 and name HB# )(resid   6 and name HA  )  3.1 1.3 1.4 
 assign (resid  80 and name HN  )(resid   6 and name HD1#)  3.9 2.0 3.6 
 assign (resid  80 and name HN  )(resid  79 and name HA  )  3.4 1.6 1.6 
 assign (resid  80 and name HN  )(resid  79 and name HB1 )  2.6 0.8 1.9  
 assign (resid  80 and name HN  )(resid  79 and name HB2 )  3.4 1.6 1.6 
 assign (resid  80 and name HN  )(resid  79 and name HN  )  3.4 1.6 1.6 
 assign (resid  80 and name HN  )(resid  80 and name HA  )  2.6 0.8 2.4  
 assign (resid  80 and name HN  )(resid  81 and name HN  )  2.6 0.8 0.9 
 assign (resid  81 and name HB1 )(resid  81 and name HA  )  3.4 1.6 1.6 
 assign (resid  81 and name HB1 )(resid  82 and name HD# )  3.1 1.3 1.4 
 assign (resid  81 and name HB2 )(resid  81 and name HA  )  3.4 1.6 1.6 
 assign (resid  81 and name HB2 )(resid  82 and name HD# )  3.9 2.1 2.1 
 assign (resid  81 and name HN  )(resid   7 and name HG2#)  3.9 2.1 2.1 
 assign (resid  81 and name HN  )(resid  80 and name HA  )  2.1 0.3 0.4 
 assign (resid  81 and name HN  )(resid  80 and name HB# )  3.1 1.3 1.4 
 assign (resid  81 and name HN  )(resid  81 and name HA  )  2.6 0.8 0.9 
 assign (resid  81 and name HN  )(resid  81 and name HB1 )  2.6 0.8 0.9 
 assign (resid  82 and name HD# )(resid   7 and name HD1#)  2.2 0.4 3.3 
 assign (resid  82 and name HD# )(resid  80 and name HA  )  3.1 1.3 1.4 
 assign (resid  82 and name HD# )(resid  81 and name HA  )  3.1 1.3 1.4 
 assign (resid  82 and name HG# )(resid   7 and name HD1#)  2.2 0.4 3.3 
 assign (resid  83 and name HA# )(resid  82 and name HA  )  3.9 2.1 2.1 
 assign (resid  83 and name HN  )(resid  82 and name HA  )  2.1 0.3 0.4 
 assign (resid  83 and name HN  )(resid  82 and name HB# )  3.1 1.3 1.4 
 assign (resid  83 and name HN  )(resid  82 and name HD# )  3.9 2.1 2.1 
 assign (resid  83 and name HN  )(resid  84 and name HN  )  2.6 0.8 0.9 
 assign (resid  84 and name HN  )(resid  83 and name HA# )  3.1 1.3 1.4 
 assign (resid  84 and name HN  )(resid  83 and name HN  )  3.4 1.6 1.6 
 assign (resid  85 and name HN  )(resid  84 and name HA# )  3.1 1.3 1.4 
 assign (resid  86 and name HN  )(resid  82 and name HD# )  3.9 2.1 2.1 
 assign (resid  86 and name HN  )(resid  85 and name HA  )  2.1 0.3 0.4 
 assign (resid  86 and name HN  )(resid  86 and name HA  )  3.4 1.6 1.6 
 assign (resid  87 and name HN  )(resid  86 and name HA  )  2.6 0.8 0.9 
 assign (resid  88 and name HN  )(resid  87 and name HA  )  2.6 0.8 0.9 

  Entry H atom name         Submitted Coord H atom name
    1   1H    ALA   1           HT1      ALA   1 -14.475  -3.846  16.238
    2   2H    ALA   1           HT3      ALA   1 -13.293  -5.015  15.900
    3   3H    ALA   1           HT2      ALA   1 -13.618  -4.578  17.510
    4    HA   ALA   1           HA       ALA   1 -12.712  -2.413  17.205
    5   1HB   ALA   1           HB2      ALA   1 -11.197  -4.525  17.449
    6   2HB   ALA   1           HB1      ALA   1 -10.784  -4.223  15.762
    7   3HB   ALA   1           HB3      ALA   1 -10.446  -2.999  16.986
    8    H    SER   2           HN       SER   2 -10.762  -1.713  15.293
    9    HA   SER   2           HA       SER   2 -12.091  -1.751  12.657
   10   1HB   SER   2           HB2      SER   2 -11.643   0.788  14.248
   11   2HB   SER   2           HB1      SER   2 -11.990   0.764  12.522
   12    HG   SER   2           HG       SER   2 -14.005   0.312  12.949
   13    H    ASN   3           HN       ASN   3 -10.649  -1.398  10.994
   14    HA   ASN   3           HA       ASN   3  -8.444  -0.186  10.400
   15   1HB   ASN   3           HB2      ASN   3  -7.647  -1.902  12.739
   16   2HB   ASN   3           HB1      ASN   3  -6.482  -1.529  11.470
   17   1HD2  ASN   3          HD22      ASN   3  -6.655   1.150  14.245
   18   2HD2  ASN   3          HD21      ASN   3  -6.717  -0.541  14.381
   19    H    THR   4           HN       THR   4  -8.256  -1.010   8.423
   20    HA   THR   4           HA       THR   4  -7.996  -3.977   8.137
   21    HB   THR   4           HB       THR   4 -10.132  -3.151   7.196
   22    HG1  THR   4           HG1      THR   4  -9.523  -4.767   5.969
   23   1HG2  THR   4          HG22      THR   4  -8.328  -1.101   6.128
   24   2HG2  THR   4          HG21      THR   4  -9.441  -1.752   4.925
   25   3HG2  THR   4          HG23      THR   4 -10.068  -1.032   6.409
   26    H    ASN   5           HN       ASN   5  -5.686  -3.091   8.568
   27    HA   ASN   5           HA       ASN   5  -4.127  -1.534   6.945
   28   1HB   ASN   5           HB2      ASN   5  -3.089  -2.643   8.760
   29   2HB   ASN   5           HB1      ASN   5  -3.554  -4.233   8.162
   30   1HD2  ASN   5          HD22      ASN   5   0.040  -2.956   7.212
   31   2HD2  ASN   5          HD21      ASN   5  -0.857  -2.494   8.575
   32    H    LEU   6           HN       LEU   6  -3.325  -1.589   4.882
   33    HA   LEU   6           HA       LEU   6  -4.110  -3.924   3.175
   34   1HB   LEU   6           HB2      LEU   6  -3.649  -1.100   2.206
   35   2HB   LEU   6           HB1      LEU   6  -4.446  -2.422   1.356
   36    HG   LEU   6           HG       LEU   6  -5.463  -1.006   3.831
   37   1HD1  LEU   6          HD11      LEU   6  -6.257  -1.038   0.918
   38   2HD1  LEU   6          HD13      LEU   6  -7.362  -0.506   2.184
   39   3HD1  LEU   6          HD12      LEU   6  -5.848   0.354   1.916
   40   1HD2  LEU   6          HD22      LEU   6  -5.912  -3.515   3.679
   41   2HD2  LEU   6          HD21      LEU   6  -7.349  -2.493   3.751
   42   3HD2  LEU   6          HD23      LEU   6  -6.824  -3.170   2.211
   43    H    ILE   7           HN       ILE   7  -2.669  -3.796   1.062
   44    HA   ILE   7           HA       ILE   7   0.154  -3.219   1.861
   45    HB   ILE   7           HB       ILE   7   0.794  -5.292   0.588
   46   1HG1  ILE   7          HG12      ILE   7  -2.194  -5.794   0.765
   47   2HG1  ILE   7          HG11      ILE   7  -1.277  -5.524  -0.718
   48   1HG2  ILE   7          HG22      ILE   7  -0.625  -5.165   3.180
   49   2HG2  ILE   7          HG21      ILE   7  -0.483  -6.781   2.489
   50   3HG2  ILE   7          HG23      ILE   7   0.966  -5.825   2.798
   51   1HD1  ILE   7          HD11      ILE   7  -0.457  -7.724   1.157
   52   2HD1  ILE   7          HD13      ILE   7  -1.795  -7.982   0.037
   53   3HD1  ILE   7          HD12      ILE   7  -0.191  -7.588  -0.582
   54    H    VAL   8           HN       VAL   8   1.096  -1.898   0.397
   55    HA   VAL   8           HA       VAL   8  -0.183  -1.597  -2.272
   56    HB   VAL   8           HB       VAL   8   2.092   0.090  -1.237
   57   1HG1  VAL   8          HG12      VAL   8   0.489   0.053  -3.560
   58   2HG1  VAL   8          HG11      VAL   8  -0.067   1.434  -2.614
   59   3HG1  VAL   8          HG13      VAL   8   1.631   1.307  -3.074
   60   1HG2  VAL   8          HG23      VAL   8  -0.857   0.386  -0.579
   61   2HG2  VAL   8          HG22      VAL   8   0.438   0.052   0.570
   62   3HG2  VAL   8          HG21      VAL   8   0.372   1.609  -0.256
   63    H    ASN   9           HN       ASN   9   0.739  -2.625  -3.984
   64    HA   ASN   9           HA       ASN   9   3.579  -3.506  -3.635
   65   1HB   ASN   9           HB2      ASN   9   1.692  -4.692  -5.658
   66   2HB   ASN   9           HB1      ASN   9   3.119  -5.416  -4.909
   67   1HD2  ASN   9          HD22      ASN   9   1.178  -6.928  -2.408
   68   2HD2  ASN   9          HD21      ASN   9   2.551  -6.981  -3.405
   69    H    TYR  10           HN       TYR  10   4.329  -4.070  -6.158
   70    HA   TYR  10           HA       TYR  10   5.117  -3.117  -8.142
   71   1HB   TYR  10           HB2      TYR  10   2.574  -1.518  -7.783
   72   2HB   TYR  10           HB1      TYR  10   3.647  -1.300  -9.164
   73    HD1  TYR  10           HD1      TYR  10   4.575  -4.013  -9.727
   74    HD2  TYR  10           HD2      TYR  10   0.670  -2.637  -8.583
   75    HE1  TYR  10           HE1      TYR  10   3.556  -5.986 -10.831
   76    HE2  TYR  10           HE2      TYR  10  -0.349  -4.609  -9.686
   77    HH   TYR  10           HH       TYR  10   1.142  -7.291 -10.395
   78    H    LEU  11           HN       LEU  11   6.143  -2.222  -5.626
   79    HA   LEU  11           HA       LEU  11   6.474   0.707  -5.933
   80   1HB   LEU  11           HB2      LEU  11   7.864  -0.992  -3.867
   81   2HB   LEU  11           HB1      LEU  11   7.388   0.703  -3.763
   82    HG   LEU  11           HG       LEU  11   5.457  -1.632  -3.889
   83   1HD1  LEU  11          HD12      LEU  11   6.970  -1.025  -1.744
   84   2HD1  LEU  11          HD11      LEU  11   5.677   0.152  -1.514
   85   3HD1  LEU  11          HD13      LEU  11   5.298  -1.568  -1.595
   86   1HD2  LEU  11          HD23      LEU  11   4.965   0.867  -4.739
   87   2HD2  LEU  11          HD22      LEU  11   3.746  -0.085  -3.889
   88   3HD2  LEU  11          HD21      LEU  11   4.697   1.118  -3.014
   89    HA   PRO  12           HA       PRO  12  10.336   0.261  -7.972
   90   1HB   PRO  12           HB2      PRO  12  11.391   2.726  -7.359
   91   2HB   PRO  12           HB1      PRO  12  10.120   2.477  -8.567
   92   1HG   PRO  12           HG2      PRO  12   9.899   3.624  -5.826
   93   2HG   PRO  12           HG1      PRO  12   8.870   3.895  -7.241
   94   1HD   PRO  12           HD2      PRO  12   8.277   2.205  -5.042
   95   2HD   PRO  12           HD1      PRO  12   7.404   2.259  -6.588
   96    H    GLN  13           HN       GLN  13   9.998   0.197  -4.663
   97    HA   GLN  13           HA       GLN  13  11.449  -0.662  -3.018
   98   1HB   GLN  13           HB2      GLN  13  13.706  -0.543  -5.022
   99   2HB   GLN  13           HB1      GLN  13  13.522  -1.619  -3.637
  100   1HG   GLN  13           HG2      GLN  13  12.401  -3.126  -4.878
  101   2HG   GLN  13           HG1      GLN  13  11.265  -1.896  -5.429
  102   1HE2  GLN  13          HE22      GLN  13  14.412  -2.954  -7.812
  103   2HE2  GLN  13          HE21      GLN  13  14.324  -3.520  -6.214
  104    H    ASP  14           HN       ASP  14  11.643   2.261  -4.573
  105    HA   ASP  14           HA       ASP  14  13.508   3.305  -2.486
  106   1HB   ASP  14           HB2      ASP  14  14.310   4.976  -4.154
  107   2HB   ASP  14           HB1      ASP  14  14.702   3.320  -4.617
  108    H    MET  15           HN       MET  15  10.452   3.479  -3.986
  109    HA   MET  15           HA       MET  15   9.828   6.240  -3.699
  110   1HB   MET  15           HB2      MET  15   7.552   5.575  -3.917
  111   2HB   MET  15           HB1      MET  15   8.468   4.418  -4.876
  112   1HG   MET  15           HG2      MET  15   8.453   2.847  -2.944
  113   2HG   MET  15           HG1      MET  15   7.458   3.994  -2.048
  114   1HE   MET  15           HE1      MET  15   5.348   3.086  -1.602
  115   2HE   MET  15           HE3      MET  15   5.007   4.559  -2.522
  116   3HE   MET  15           HE2      MET  15   4.063   3.099  -2.808
  117    H    THR  16           HN       THR  16   8.082   6.935  -1.997
  118    HA   THR  16           HA       THR  16   8.770   5.769   0.662
  119    HB   THR  16           HB       THR  16   9.172   7.898   1.619
  120    HG1  THR  16           HG1      THR  16   8.814   9.798   0.241
  121   1HG2  THR  16          HG21      THR  16  10.956   7.040   0.032
  122   2HG2  THR  16          HG23      THR  16  10.316   8.162  -1.169
  123   3HG2  THR  16          HG22      THR  16  10.998   8.777   0.337
  124    H    ASP  17           HN       ASP  17   7.077   5.778   2.160
  125    HA   ASP  17           HA       ASP  17   4.406   5.729   1.190
  126   1HB   ASP  17           HB2      ASP  17   5.534   6.085   3.982
  127   2HB   ASP  17           HB1      ASP  17   3.804   5.954   3.665
  128    H    ARG  18           HN       ARG  18   6.452   8.386   1.937
  129    HA   ARG  18           HA       ARG  18   4.475  10.317   2.738
  130   1HB   ARG  18           HB2      ARG  18   7.285  10.301   2.094
  131   2HB   ARG  18           HB1      ARG  18   6.502  11.639   1.252
  132   1HG   ARG  18           HG2      ARG  18   5.752  12.625   3.244
  133   2HG   ARG  18           HG1      ARG  18   5.906  11.123   4.156
  134   1HD   ARG  18           HD2      ARG  18   7.968  11.743   4.802
  135   2HD   ARG  18           HD1      ARG  18   8.481  11.748   3.116
  136    HE   ARG  18           HE       ARG  18   8.079  14.125   3.038
  137   1HH1  ARG  18          HH21      ARG  18   6.552  12.823   5.788
  138   2HH1  ARG  18          HH22      ARG  18   6.809  14.218   6.781
  139   1HH2  ARG  18          HH11      ARG  18   8.752  15.865   4.430
  140   2HH2  ARG  18          HH12      ARG  18   8.054  15.939   6.013
  141    H    GLU  19           HN       GLU  19   6.050   9.829  -0.453
  142    HA   GLU  19           HA       GLU  19   4.305  11.541  -1.907
  143   1HB   GLU  19           HB2      GLU  19   4.877   9.910  -3.849
  144   2HB   GLU  19           HB1      GLU  19   6.211  10.793  -3.104
  145   1HG   GLU  19           HG2      GLU  19   6.885   8.895  -1.831
  146   2HG   GLU  19           HG1      GLU  19   5.378   8.042  -2.169
  147    H    LEU  20           HN       LEU  20   4.044   8.235  -0.806
  148    HA   LEU  20           HA       LEU  20   1.686   7.452  -2.238
  149   1HB   LEU  20           HB2      LEU  20   2.899   6.652   0.411
  150   2HB   LEU  20           HB1      LEU  20   1.361   5.984  -0.110
  151    HG   LEU  20           HG       LEU  20   4.086   5.359  -1.010
  152   1HD1  LEU  20          HD12      LEU  20   2.177   3.959   0.084
  153   2HD1  LEU  20          HD11      LEU  20   1.546   3.849  -1.559
  154   3HD1  LEU  20          HD13      LEU  20   3.152   3.221  -1.187
  155   1HD2  LEU  20          HD23      LEU  20   1.851   5.771  -3.022
  156   2HD2  LEU  20          HD22      LEU  20   3.432   6.552  -3.022
  157   3HD2  LEU  20          HD21      LEU  20   3.302   4.824  -3.346
  158    H    TYR  21           HN       TYR  21   2.246   9.173   0.719
  159    HA   TYR  21           HA       TYR  21  -0.461   9.224   1.657
  160   1HB   TYR  21           HB2      TYR  21   1.766   9.850   2.883
  161   2HB   TYR  21           HB1      TYR  21   1.488  11.452   2.199
  162    HD1  TYR  21           HD1      TYR  21  -0.850   8.841   3.536
  163    HD2  TYR  21           HD2      TYR  21   0.658  12.849   3.870
  164    HE1  TYR  21           HE1      TYR  21  -2.497   9.315   5.333
  165    HE2  TYR  21           HE2      TYR  21  -0.986  13.323   5.666
  166    HH   TYR  21           HH       TYR  21  -3.252  12.403   6.367
  167    H    ALA  22           HN       ALA  22   1.364  11.161  -0.614
  168    HA   ALA  22           HA       ALA  22  -0.415  13.386  -0.833
  169   1HB   ALA  22           HB2      ALA  22   1.934  12.706  -2.019
  170   2HB   ALA  22           HB1      ALA  22   0.812  12.371  -3.337
  171   3HB   ALA  22           HB3      ALA  22   0.880  13.983  -2.626
  172    H    LEU  23           HN       LEU  23  -0.671  10.097  -1.871
  173    HA   LEU  23           HA       LEU  23  -2.973  10.678  -3.668
  174   1HB   LEU  23           HB2      LEU  23  -1.429   8.145  -3.041
  175   2HB   LEU  23           HB1      LEU  23  -2.851   8.178  -4.073
  176    HG   LEU  23           HG       LEU  23  -0.377   8.361  -5.045
  177   1HD1  LEU  23          HD13      LEU  23  -2.461   8.250  -6.350
  178   2HD1  LEU  23          HD12      LEU  23  -2.744   9.965  -6.054
  179   3HD1  LEU  23          HD11      LEU  23  -1.365   9.455  -7.027
  180   1HD2  LEU  23          HD22      LEU  23  -1.181  11.236  -4.489
  181   2HD2  LEU  23          HD21      LEU  23   0.243  10.407  -3.861
  182   3HD2  LEU  23          HD23      LEU  23   0.114  10.755  -5.585
  183    H    PHE  24           HN       PHE  24  -2.249   8.249  -1.192
  184    HA   PHE  24           HA       PHE  24  -4.893   7.516  -0.598
  185   1HB   PHE  24           HB2      PHE  24  -2.666   7.538   1.432
  186   2HB   PHE  24           HB1      PHE  24  -3.984   6.380   1.278
  187    HD1  PHE  24           HD2      PHE  24  -3.609   6.491  -1.926
  188    HD2  PHE  24           HD1      PHE  24  -1.032   5.616   1.401
  189    HE1  PHE  24           HE2      PHE  24  -2.231   5.042  -3.372
  190    HE2  PHE  24           HE1      PHE  24   0.331   4.167  -0.045
  191    HZ   PHE  24           HZ       PHE  24  -0.253   3.876  -2.437
  192    H    ARG  25           HN       ARG  25  -2.841   9.883   1.099
  193    HA   ARG  25           HA       ARG  25  -4.567  10.625   3.149
  194   1HB   ARG  25           HB2      ARG  25  -2.269  11.594   2.662
  195   2HB   ARG  25           HB1      ARG  25  -3.053  12.646   1.481
  196   1HG   ARG  25           HG2      ARG  25  -4.307  12.546   4.168
  197   2HG   ARG  25           HG1      ARG  25  -2.735  13.339   4.075
  198   1HD   ARG  25           HD2      ARG  25  -3.520  14.867   2.382
  199   2HD   ARG  25           HD1      ARG  25  -5.033  13.981   2.211
  200    HE   ARG  25           HE       ARG  25  -5.327  14.678   4.738
  201   1HH1  ARG  25          HH21      ARG  25  -2.796  16.455   3.977
  202   2HH1  ARG  25          HH22      ARG  25  -3.574  18.000   3.892
  203   1HH2  ARG  25          HH11      ARG  25  -6.781  16.683   3.876
  204   2HH2  ARG  25          HH12      ARG  25  -5.829  18.129   3.835
  205    H    ALA  26           HN       ALA  26  -4.987  11.109  -0.264
  206    HA   ALA  26           HA       ALA  26  -7.213  13.023   0.194
  207   1HB   ALA  26           HB2      ALA  26  -5.440  12.349  -2.061
  208   2HB   ALA  26           HB1      ALA  26  -7.130  12.563  -2.518
  209   3HB   ALA  26           HB3      ALA  26  -6.268  13.863  -1.696
  210    H    ILE  27           HN       ILE  27  -6.545   9.733  -0.826
  211    HA   ILE  27           HA       ILE  27  -9.286   9.211  -1.684
  212    HB   ILE  27           HB       ILE  27  -6.980   7.334  -1.080
  213   1HG1  ILE  27          HG12      ILE  27  -7.998   7.770  -3.833
  214   2HG1  ILE  27          HG11      ILE  27  -7.156   9.141  -3.108
  215   1HG2  ILE  27          HG22      ILE  27  -9.807   6.914  -1.914
  216   2HG2  ILE  27          HG21      ILE  27  -8.582   5.959  -2.750
  217   3HG2  ILE  27          HG23      ILE  27  -8.733   5.856  -0.996
  218   1HD1  ILE  27          HD11      ILE  27  -5.394   7.307  -2.412
  219   2HD1  ILE  27          HD13      ILE  27  -6.119   6.403  -3.739
  220   3HD1  ILE  27          HD12      ILE  27  -5.376   7.970  -4.047
  221    H    GLY  28           HN       GLY  28  -7.341   7.703   0.897
  222   1HA   GLY  28           HA2      GLY  28  -9.815   7.698   2.583
  223   2HA   GLY  28           HA1      GLY  28  -8.710   6.324   2.541
  224    HA   PRO  29           HA       PRO  29  -7.348   9.608   5.674
  225   1HB   PRO  29           HB2      PRO  29  -8.685   8.733   7.913
  226   2HB   PRO  29           HB1      PRO  29  -9.318   9.980   6.823
  227   1HG   PRO  29           HG2      PRO  29 -10.161   7.134   7.108
  228   2HG   PRO  29           HG1      PRO  29 -11.095   8.529   6.544
  229   1HD   PRO  29           HD2      PRO  29  -9.925   6.538   4.903
  230   2HD   PRO  29           HD1      PRO  29 -10.583   8.094   4.353
  231    H    ILE  30           HN       ILE  30  -5.617   7.897   4.983
  232    HA   ILE  30           HA       ILE  30  -5.173   5.464   6.298
  233    HB   ILE  30           HB       ILE  30  -3.133   7.558   5.499
  234   1HG1  ILE  30          HG12      ILE  30  -4.165   5.070   4.091
  235   2HG1  ILE  30          HG11      ILE  30  -4.455   6.741   3.598
  236   1HG2  ILE  30          HG21      ILE  30  -2.914   4.930   6.801
  237   2HG2  ILE  30          HG23      ILE  30  -1.903   5.107   5.369
  238   3HG2  ILE  30          HG22      ILE  30  -1.741   6.241   6.711
  239   1HD1  ILE  30          HD13      ILE  30  -1.680   5.585   3.894
  240   2HD1  ILE  30          HD12      ILE  30  -2.573   5.550   2.376
  241   3HD1  ILE  30          HD11      ILE  30  -2.143   7.095   3.113
  242    H    ASN  31           HN       ASN  31  -4.097   4.889   8.236
  243    HA   ASN  31           HA       ASN  31  -3.916   7.106  10.234
  244   1HB   ASN  31           HB2      ASN  31  -4.174   5.354  11.956
  245   2HB   ASN  31           HB1      ASN  31  -5.527   5.323  10.829
  246   1HD2  ASN  31          HD22      ASN  31  -4.600   1.824  11.045
  247   2HD2  ASN  31          HD21      ASN  31  -5.431   2.988  11.949
  248    H    THR  32           HN       THR  32  -2.132   4.752   8.470
  249    HA   THR  32           HA       THR  32   0.388   5.751   9.506
  250    HB   THR  32           HB       THR  32  -0.469   2.930  10.225
  251    HG1  THR  32           HG1      THR  32  -0.229   3.666  12.300
  252   1HG2  THR  32          HG22      THR  32   2.157   4.107   9.752
  253   2HG2  THR  32          HG21      THR  32   2.003   3.464  11.387
  254   3HG2  THR  32          HG23      THR  32   1.715   2.418   9.997
  255    H    CYS  33           HN       CYS  33   2.114   5.143   8.092
  256    HA   CYS  33           HA       CYS  33   1.426   3.205   5.933
  257   1HB   CYS  33           HB2      CYS  33   2.762   5.815   5.238
  258   2HB   CYS  33           HB1      CYS  33   1.897   4.700   4.182
  259    HG   CYS  33           HG       CYS  33   0.492   6.939   4.964
  260    H    ARG  34           HN       ARG  34   3.068   1.725   6.027
  261    HA   ARG  34           HA       ARG  34   5.849   2.762   6.418
  262   1HB   ARG  34           HB2      ARG  34   4.520   0.277   7.515
  263   2HB   ARG  34           HB1      ARG  34   6.275   0.414   7.394
  264   1HG   ARG  34           HG2      ARG  34   4.858   2.712   8.635
  265   2HG   ARG  34           HG1      ARG  34   4.903   1.218   9.573
  266   1HD   ARG  34           HD2      ARG  34   7.326   2.587   8.367
  267   2HD   ARG  34           HD1      ARG  34   6.854   2.673  10.064
  268    HE   ARG  34           HE       ARG  34   7.789   0.195   8.687
  269   1HH1  ARG  34          HH11      ARG  34   8.404   2.261  11.210
  270   2HH1  ARG  34          HH12      ARG  34   8.492   1.045  12.440
  271   1HH2  ARG  34          HH21      ARG  34   7.305  -1.489  10.392
  272   2HH2  ARG  34          HH22      ARG  34   7.870  -1.079  11.977
  273    H    ILE  35           HN       ILE  35   7.501   1.189   5.434
  274    HA   ILE  35           HA       ILE  35   6.352  -0.096   2.989
  275    HB   ILE  35           HB       ILE  35   8.947   1.431   3.332
  276   1HG1  ILE  35          HG12      ILE  35   6.581   1.897   1.483
  277   2HG1  ILE  35          HG11      ILE  35   6.864   2.778   2.985
  278   1HG2  ILE  35          HG21      ILE  35   8.932  -0.743   1.866
  279   2HG2  ILE  35          HG23      ILE  35   7.992   0.232   0.737
  280   3HG2  ILE  35          HG22      ILE  35   9.621   0.733   1.193
  281   1HD1  ILE  35          HD12      ILE  35   9.266   3.145   1.868
  282   2HD1  ILE  35          HD11      ILE  35   8.329   2.934   0.389
  283   3HD1  ILE  35          HD13      ILE  35   7.912   4.219   1.522
  284    H    MET  36           HN       MET  36   7.172  -2.198   2.513
  285    HA   MET  36           HA       MET  36   8.864  -3.325   4.689
  286   1HB   MET  36           HB2      MET  36   7.152  -4.697   2.599
  287   2HB   MET  36           HB1      MET  36   8.143  -5.544   3.789
  288   1HG   MET  36           HG2      MET  36   6.750  -3.766   5.363
  289   2HG   MET  36           HG1      MET  36   5.560  -4.178   4.134
  290   1HE   MET  36           HE2      MET  36   7.881  -5.040   6.759
  291   2HE   MET  36           HE1      MET  36   7.428  -6.610   7.417
  292   3HE   MET  36           HE3      MET  36   8.471  -6.511   5.992
  293    H    ARG  37           HN       ARG  37  10.910  -3.955   4.315
  294    HA   ARG  37           HA       ARG  37  11.855  -4.787   1.689
  295   1HB   ARG  37           HB2      ARG  37  13.596  -2.607   2.503
  296   2HB   ARG  37           HB1      ARG  37  12.828  -2.888   0.943
  297   1HG   ARG  37           HG2      ARG  37  10.810  -1.777   1.652
  298   2HG   ARG  37           HG1      ARG  37  11.381  -1.689   3.319
  299   1HD   ARG  37           HD2      ARG  37  12.709  -0.325   0.958
  300   2HD   ARG  37           HD1      ARG  37  11.658   0.476   2.126
  301    HE   ARG  37           HE       ARG  37  14.131  -0.894   3.076
  302   1HH1  ARG  37          HH21      ARG  37  13.851   0.260   5.314
  303   2HH1  ARG  37          HH22      ARG  37  14.049   1.976   5.189
  304   1HH2  ARG  37          HH11      ARG  37  13.664   2.036   1.743
  305   2HH2  ARG  37          HH12      ARG  37  13.944   2.982   3.168
  306    H    ASP  38           HN       ASP  38  14.087  -5.598   1.849
  307    HA   ASP  38           HA       ASP  38  14.697  -7.089   4.097
  308   1HB   ASP  38           HB2      ASP  38  15.907  -6.994   1.813
  309   2HB   ASP  38           HB1      ASP  38  16.899  -5.731   2.544
  310    H    TYR  39           HN       TYR  39  15.322  -6.619   6.156
  311    HA   TYR  39           HA       TYR  39  15.808  -3.805   6.870
  312   1HB   TYR  39           HB2      TYR  39  14.789  -6.128   8.197
  313   2HB   TYR  39           HB1      TYR  39  16.181  -5.538   9.105
  314    HD1  TYR  39           HD1      TYR  39  16.232  -3.207   9.960
  315    HD2  TYR  39           HD2      TYR  39  12.758  -4.838   8.031
  316    HE1  TYR  39           HE1      TYR  39  14.859  -1.350  10.863
  317    HE2  TYR  39           HE2      TYR  39  11.385  -2.981   8.934
  318    HH   TYR  39           HH       TYR  39  11.930  -1.281  11.315
  319    H    LYS  40           HN       LYS  40  17.742  -6.257   5.756
  320    HA   LYS  40           HA       LYS  40  20.046  -5.531   7.494
  321   1HB   LYS  40           HB2      LYS  40  19.598  -7.944   7.069
  322   2HB   LYS  40           HB1      LYS  40  19.841  -7.661   5.344
  323   1HG   LYS  40           HG2      LYS  40  21.941  -8.448   6.145
  324   2HG   LYS  40           HG1      LYS  40  22.133  -6.703   5.982
  325   1HD   LYS  40           HD2      LYS  40  22.834  -6.743   8.135
  326   2HD   LYS  40           HD1      LYS  40  21.133  -6.967   8.548
  327   1HE   LYS  40           HE2      LYS  40  21.520  -9.468   8.245
  328   2HE   LYS  40           HE1      LYS  40  23.244  -9.103   8.183
  329   1HZ   LYS  40           HZ3      LYS  40  21.491  -8.222  10.403
  330   2HZ   LYS  40           HZ2      LYS  40  22.341  -9.694  10.428
  331   3HZ   LYS  40           HZ1      LYS  40  23.187  -8.222  10.354
  332    H    THR  41           HN       THR  41  19.686  -6.197   3.993
  333    HA   THR  41           HA       THR  41  21.722  -4.109   3.467
  334    HB   THR  41           HB       THR  41  20.479  -5.591   1.214
  335    HG1  THR  41           HG1      THR  41  21.783  -6.792   3.384
  336   1HG2  THR  41          HG23      THR  41  23.146  -4.567   2.075
  337   2HG2  THR  41          HG22      THR  41  23.114  -5.934   0.961
  338   3HG2  THR  41          HG21      THR  41  22.335  -4.415   0.516
  339    H    GLY  42           HN       GLY  42  18.329  -4.478   3.491
  340   1HA   GLY  42           HA2      GLY  42  16.747  -2.735   3.118
  341   2HA   GLY  42           HA1      GLY  42  18.016  -1.787   2.340
  342    H    TYR  43           HN       TYR  43  17.964  -4.975   1.199
  343    HA   TYR  43           HA       TYR  43  17.289  -4.215  -1.467
  344   1HB   TYR  43           HB2      TYR  43  18.317  -6.479  -0.273
  345   2HB   TYR  43           HB1      TYR  43  16.719  -7.020  -0.786
  346    HD1  TYR  43           HD2      TYR  43  16.631  -4.893  -3.122
  347    HD2  TYR  43           HD1      TYR  43  19.449  -7.910  -1.932
  348    HE1  TYR  43           HE2      TYR  43  17.437  -5.063  -5.461
  349    HE2  TYR  43           HE1      TYR  43  20.254  -8.079  -4.272
  350    HH   TYR  43           HH       TYR  43  19.513  -5.787  -6.640
  351    H    SER  44           HN       SER  44  15.295  -3.268  -1.789
  352    HA   SER  44           HA       SER  44  12.904  -4.386  -0.480
  353   1HB   SER  44           HB2      SER  44  12.278  -2.432  -2.493
  354   2HB   SER  44           HB1      SER  44  12.126  -2.295  -0.744
  355    HG   SER  44           HG       SER  44  14.426  -1.831  -0.752
  356    H    TYR  45           HN       TYR  45  11.059  -5.154  -1.729
  357    HA   TYR  45           HA       TYR  45  11.818  -6.146  -4.448
  358   1HB   TYR  45           HB2      TYR  45  10.210  -8.102  -3.791
  359   2HB   TYR  45           HB1      TYR  45  11.864  -8.108  -3.178
  360    HD1  TYR  45           HD1      TYR  45   8.729  -6.283  -2.179
  361    HD2  TYR  45           HD2      TYR  45  11.947  -8.866  -0.987
  362    HE1  TYR  45           HE1      TYR  45   7.893  -6.251   0.154
  363    HE2  TYR  45           HE2      TYR  45  11.108  -8.836   1.345
  364    HH   TYR  45           HH       TYR  45   8.387  -8.272   2.310
  365    H    GLY  46           HN       GLY  46   9.823  -4.065  -2.885
  366   1HA   GLY  46           HA2      GLY  46   8.074  -2.837  -3.984
  367   2HA   GLY  46           HA1      GLY  46   7.860  -4.185  -5.098
  368    H    TYR  47           HN       TYR  47   6.978  -2.880  -1.988
  369    HA   TYR  47           HA       TYR  47   4.439  -3.892  -1.780
  370   1HB   TYR  47           HB2      TYR  47   5.015  -6.152  -1.981
  371   2HB   TYR  47           HB1      TYR  47   6.481  -5.968  -1.022
  372    HD1  TYR  47           HD1      TYR  47   2.765  -6.078  -0.866
  373    HD2  TYR  47           HD2      TYR  47   6.446  -6.217   1.340
  374    HE1  TYR  47           HE1      TYR  47   1.540  -6.857   1.142
  375    HE2  TYR  47           HE2      TYR  47   5.220  -6.986   3.340
  376    HH   TYR  47           HH       TYR  47   2.291  -8.295   3.307
  377    H    ALA  48           HN       ALA  48   3.587  -2.837  -0.050
  378    HA   ALA  48           HA       ALA  48   5.232  -2.443   2.380
  379   1HB   ALA  48           HB2      ALA  48   4.039  -0.258   0.661
  380   2HB   ALA  48           HB1      ALA  48   4.569   0.002   2.321
  381   3HB   ALA  48           HB3      ALA  48   5.735  -0.479   1.091
  382    H    PHE  49           HN       PHE  49   3.673  -0.917   3.882
  383    HA   PHE  49           HA       PHE  49   0.985  -2.220   3.827
  384   1HB   PHE  49           HB2      PHE  49   2.875  -1.632   6.087
  385   2HB   PHE  49           HB1      PHE  49   1.142  -1.732   6.390
  386    HD1  PHE  49           HD1      PHE  49   0.150  -3.823   4.733
  387    HD2  PHE  49           HD2      PHE  49   3.930  -3.597   6.752
  388    HE1  PHE  49           HE1      PHE  49   0.279  -6.298   4.759
  389    HE2  PHE  49           HE2      PHE  49   4.061  -6.074   6.780
  390    HZ   PHE  49           HZ       PHE  49   2.237  -7.424   5.783
  391    H    VAL  50           HN       VAL  50  -0.662  -0.801   3.605
  392    HA   VAL  50           HA       VAL  50  -0.353   1.938   4.742
  393    HB   VAL  50           HB       VAL  50  -1.401   1.207   1.989
  394   1HG1  VAL  50          HG11      VAL  50  -1.711   3.735   3.625
  395   2HG1  VAL  50          HG13      VAL  50  -1.896   3.706   1.872
  396   3HG1  VAL  50          HG12      VAL  50  -2.987   2.764   2.889
  397   1HG2  VAL  50          HG23      VAL  50   0.929   2.737   3.097
  398   2HG2  VAL  50          HG22      VAL  50   0.874   1.623   1.730
  399   3HG2  VAL  50          HG21      VAL  50   0.231   3.256   1.563
  400    H    ASP  51           HN       ASP  51  -1.850   1.899   6.377
  401    HA   ASP  51           HA       ASP  51  -4.319   0.308   5.989
  402   1HB   ASP  51           HB2      ASP  51  -3.045   0.044   8.092
  403   2HB   ASP  51           HB1      ASP  51  -3.283   1.757   8.442
  404    H    PHE  52           HN       PHE  52  -6.372   1.204   6.024
  405    HA   PHE  52           HA       PHE  52  -6.465   4.169   5.680
  406   1HB   PHE  52           HB2      PHE  52  -8.224   1.913   4.721
  407   2HB   PHE  52           HB1      PHE  52  -8.861   3.551   4.828
  408    HD1  PHE  52           HD2      PHE  52  -7.159   5.403   3.829
  409    HD2  PHE  52           HD1      PHE  52  -7.329   1.281   2.672
  410    HE1  PHE  52           HE2      PHE  52  -6.115   5.976   1.652
  411    HE2  PHE  52           HE1      PHE  52  -6.289   1.843   0.491
  412    HZ   PHE  52           HZ       PHE  52  -5.682   4.197  -0.027
  413    H    THR  53           HN       THR  53  -7.199   1.689   7.882
  414    HA   THR  53           HA       THR  53  -8.534   1.591   9.801
  415    HB   THR  53           HB       THR  53  -6.857   3.436  10.323
  416    HG1  THR  53           HG1      THR  53  -8.044   4.054  12.152
  417   1HG2  THR  53          HG21      THR  53  -9.212   5.085   9.410
  418   2HG2  THR  53          HG23      THR  53  -8.029   5.719  10.552
  419   3HG2  THR  53          HG22      THR  53  -7.519   5.233   8.937
  420    H    SER  54           HN       SER  54  -9.817   2.240   7.149
  421    HA   SER  54           HA       SER  54 -12.274   3.599   8.159
  422   1HB   SER  54           HB2      SER  54 -11.493   3.015   5.288
  423   2HB   SER  54           HB1      SER  54 -12.838   4.013   5.832
  424    HG   SER  54           HG       SER  54 -11.470   5.594   5.892
  425    H    GLU  55           HN       GLU  55 -11.045   0.814   6.360
  426    HA   GLU  55           HA       GLU  55 -11.918  -1.339   6.090
  427   1HB   GLU  55           HB2      GLU  55 -11.991  -1.434   8.483
  428   2HB   GLU  55           HB1      GLU  55 -13.428  -0.415   8.541
  429   1HG   GLU  55           HG2      GLU  55 -14.818  -2.127   7.674
  430   2HG   GLU  55           HG1      GLU  55 -13.441  -3.060   7.086
  431    H    MET  56           HN       MET  56 -13.334   1.269   5.114
  432    HA   MET  56           HA       MET  56 -15.587  -0.169   3.854
  433   1HB   MET  56           HB2      MET  56 -15.874   2.249   5.644
  434   2HB   MET  56           HB1      MET  56 -17.026   1.946   4.343
  435   1HG   MET  56           HG2      MET  56 -16.835  -0.529   5.539
  436   2HG   MET  56           HG1      MET  56 -16.705   0.563   6.917
  437   1HE   MET  56           HE3      MET  56 -18.502   1.391   8.117
  438   2HE   MET  56           HE2      MET  56 -20.174   0.932   7.803
  439   3HE   MET  56           HE1      MET  56 -18.940  -0.316   7.960
  440    H    ASP  57           HN       ASP  57 -14.845   3.296   4.158
  441    HA   ASP  57           HA       ASP  57 -14.974   3.830   1.367
  442   1HB   ASP  57           HB2      ASP  57 -13.609   5.205   3.684
  443   2HB   ASP  57           HB1      ASP  57 -13.420   5.808   2.039
  444    H    SER  58           HN       SER  58 -12.411   2.719   3.474
  445    HA   SER  58           HA       SER  58 -10.188   2.973   1.715
  446   1HB   SER  58           HB2      SER  58  -9.098   1.386   3.155
  447   2HB   SER  58           HB1      SER  58 -10.149   2.353   4.182
  448    HG   SER  58           HG       SER  58 -10.202  -0.069   4.340
  449    H    GLN  59           HN       GLN  59 -12.293   0.151   2.333
  450    HA   GLN  59           HA       GLN  59 -11.238  -1.635   0.467
  451   1HB   GLN  59           HB2      GLN  59 -14.220  -1.273   0.812
  452   2HB   GLN  59           HB1      GLN  59 -13.329  -2.765   0.497
  453   1HG   GLN  59           HG2      GLN  59 -12.134  -2.052   2.796
  454   2HG   GLN  59           HG1      GLN  59 -13.699  -1.282   3.055
  455   1HE2  GLN  59          HE22      GLN  59 -15.182  -4.745   2.377
  456   2HE2  GLN  59          HE21      GLN  59 -15.130  -3.354   1.406
  457    H    ARG  60           HN       ARG  60 -13.598   0.985  -0.126
  458    HA   ARG  60           HA       ARG  60 -13.966   0.443  -2.910
  459   1HB   ARG  60           HB2      ARG  60 -15.420   2.024  -1.752
  460   2HB   ARG  60           HB1      ARG  60 -14.047   3.074  -1.399
  461   1HG   ARG  60           HG2      ARG  60 -13.927   2.687  -4.164
  462   2HG   ARG  60           HG1      ARG  60 -15.646   2.892  -3.825
  463   1HD   ARG  60           HD2      ARG  60 -13.843   4.762  -2.403
  464   2HD   ARG  60           HD1      ARG  60 -13.922   4.971  -4.152
  465    HE   ARG  60           HE       ARG  60 -16.560   4.726  -2.959
  466   1HH1  ARG  60          HH11      ARG  60 -16.521   6.476  -5.156
  467   2HH1  ARG  60          HH12      ARG  60 -16.331   8.064  -4.491
  468   1HH2  ARG  60          HH21      ARG  60 -15.190   6.931  -1.420
  469   2HH2  ARG  60          HH22      ARG  60 -15.578   8.322  -2.377
  470    H    ALA  61           HN       ALA  61 -11.664   2.534  -1.206
  471    HA   ALA  61           HA       ALA  61 -10.255   3.427  -3.540
  472   1HB   ALA  61           HB1      ALA  61 -10.120   4.438  -1.216
  473   2HB   ALA  61           HB3      ALA  61  -9.111   3.067  -0.755
  474   3HB   ALA  61           HB2      ALA  61  -8.560   4.188  -2.000
  475    H    ILE  62           HN       ILE  62 -10.335   0.434  -1.874
  476    HA   ILE  62           HA       ILE  62  -7.689  -0.472  -2.698
  477    HB   ILE  62           HB       ILE  62 -10.078  -1.748  -1.379
  478   1HG1  ILE  62          HG12      ILE  62  -7.156  -1.415  -0.648
  479   2HG1  ILE  62          HG11      ILE  62  -8.492  -0.451  -0.022
  480   1HG2  ILE  62          HG21      ILE  62  -7.831  -3.099  -2.814
  481   2HG2  ILE  62          HG23      ILE  62  -8.355  -3.777  -1.273
  482   3HG2  ILE  62          HG22      ILE  62  -9.502  -3.621  -2.604
  483   1HD1  ILE  62          HD13      ILE  62  -9.483  -2.766   0.692
  484   2HD1  ILE  62          HD12      ILE  62  -7.820  -3.329   0.527
  485   3HD1  ILE  62          HD11      ILE  62  -8.208  -2.044   1.667
  486    H    LYS  63           HN       LYS  63 -11.001  -0.724  -3.884
  487    HA   LYS  63           HA       LYS  63 -10.305  -2.592  -6.016
  488   1HB   LYS  63           HB2      LYS  63 -12.616  -2.478  -5.172
  489   2HB   LYS  63           HB1      LYS  63 -12.724  -0.787  -5.667
  490   1HG   LYS  63           HG2      LYS  63 -12.861  -1.305  -7.911
  491   2HG   LYS  63           HG1      LYS  63 -11.908  -2.779  -7.735
  492   1HD   LYS  63           HD2      LYS  63 -14.290  -3.279  -8.222
  493   2HD   LYS  63           HD1      LYS  63 -13.800  -3.899  -6.645
  494   1HE   LYS  63           HE2      LYS  63 -15.199  -2.502  -5.531
  495   2HE   LYS  63           HE1      LYS  63 -14.808  -1.135  -6.574
  496   1HZ   LYS  63           HZ1      LYS  63 -16.413  -3.347  -7.649
  497   2HZ   LYS  63           HZ3      LYS  63 -17.160  -2.204  -6.644
  498   3HZ   LYS  63           HZ2      LYS  63 -16.410  -1.705  -8.085
  499    H    VAL  64           HN       VAL  64 -10.246   0.846  -5.520
  500    HA   VAL  64           HA       VAL  64  -9.936   1.398  -8.412
  501    HB   VAL  64           HB       VAL  64  -9.885   3.246  -6.010
  502   1HG1  VAL  64          HG11      VAL  64  -9.582   3.664  -8.965
  503   2HG1  VAL  64          HG13      VAL  64 -10.401   4.897  -8.007
  504   3HG1  VAL  64          HG12      VAL  64  -8.736   4.453  -7.634
  505   1HG2  VAL  64          HG22      VAL  64 -12.023   2.031  -7.587
  506   2HG2  VAL  64          HG21      VAL  64 -12.125   2.942  -6.080
  507   3HG2  VAL  64          HG23      VAL  64 -12.097   3.793  -7.624
  508    H    LEU  65           HN       LEU  65  -8.097   2.629  -5.626
  509    HA   LEU  65           HA       LEU  65  -5.725   3.277  -6.834
  510   1HB   LEU  65           HB2      LEU  65  -6.229   1.988  -4.158
  511   2HB   LEU  65           HB1      LEU  65  -4.598   2.421  -4.656
  512    HG   LEU  65           HG       LEU  65  -6.970   4.272  -4.340
  513   1HD1  LEU  65          HD11      LEU  65  -4.598   3.559  -2.774
  514   2HD1  LEU  65          HD13      LEU  65  -4.751   5.296  -3.038
  515   3HD1  LEU  65          HD12      LEU  65  -6.063   4.401  -2.271
  516   1HD2  LEU  65          HD21      LEU  65  -4.544   4.490  -5.999
  517   2HD2  LEU  65          HD23      LEU  65  -6.037   5.426  -6.067
  518   3HD2  LEU  65          HD22      LEU  65  -4.781   5.851  -4.905
  519    H    ASN  66           HN       ASN  66  -6.846  -0.001  -6.196
  520    HA   ASN  66           HA       ASN  66  -4.511  -1.490  -6.489
  521   1HB   ASN  66           HB2      ASN  66  -6.660  -2.583  -6.127
  522   2HB   ASN  66           HB1      ASN  66  -7.242  -2.035  -7.698
  523   1HD2  ASN  66          HD22      ASN  66  -5.322  -5.506  -7.545
  524   2HD2  ASN  66          HD21      ASN  66  -6.046  -4.745  -6.212
  525    H    GLY  67           HN       GLY  67  -2.941  -0.813  -7.947
  526   1HA   GLY  67           HA2      GLY  67  -1.940  -0.876 -10.102
  527   2HA   GLY  67           HA1      GLY  67  -3.514  -1.263 -10.786
  528    H    ILE  68           HN       ILE  68  -2.054   1.533  -9.043
  529    HA   ILE  68           HA       ILE  68  -3.612   3.328 -10.816
  530    HB   ILE  68           HB       ILE  68  -2.570   5.125  -9.317
  531   1HG1  ILE  68          HG12      ILE  68  -1.942   2.712  -7.600
  532   2HG1  ILE  68          HG11      ILE  68  -0.721   3.580  -8.531
  533   1HG2  ILE  68          HG22      ILE  68  -4.790   3.473  -9.007
  534   2HG2  ILE  68          HG21      ILE  68  -4.006   3.438  -7.428
  535   3HG2  ILE  68          HG23      ILE  68  -4.489   4.978  -8.137
  536   1HD1  ILE  68          HD13      ILE  68  -2.238   5.518  -7.097
  537   2HD1  ILE  68          HD12      ILE  68  -1.798   4.243  -5.961
  538   3HD1  ILE  68          HD11      ILE  68  -0.543   5.086  -6.870
  539    H    THR  69           HN       THR  69  -0.834   5.001  -9.945
  540    HA   THR  69           HA       THR  69   0.899   3.952 -12.047
  541    HB   THR  69           HB       THR  69  -0.399   6.658 -12.446
  542    HG1  THR  69           HG1      THR  69  -1.802   5.610 -13.573
  543   1HG2  THR  69          HG22      THR  69   2.059   5.559 -13.370
  544   2HG2  THR  69          HG21      THR  69   0.951   5.602 -14.741
  545   3HG2  THR  69          HG23      THR  69   1.305   7.080 -13.847
  546    H    VAL  70           HN       VAL  70   2.923   4.246 -11.239
  547    HA   VAL  70           HA       VAL  70   3.386   6.551  -9.405
  548    HB   VAL  70           HB       VAL  70   4.030   4.369  -8.499
  549   1HG1  VAL  70          HG13      VAL  70   4.419   3.267 -10.703
  550   2HG1  VAL  70          HG12      VAL  70   5.904   4.203 -10.873
  551   3HG1  VAL  70          HG11      VAL  70   5.754   3.016  -9.578
  552   1HG2  VAL  70          HG21      VAL  70   5.818   6.599  -8.919
  553   2HG2  VAL  70          HG23      VAL  70   5.658   5.566  -7.498
  554   3HG2  VAL  70          HG22      VAL  70   6.737   5.098  -8.813
  555    H    ARG  71           HN       ARG  71   3.241   7.492 -11.905
  556    HA   ARG  71           HA       ARG  71   4.436   8.589 -13.605
  557   1HB   ARG  71           HB2      ARG  71   6.910   8.590 -11.935
  558   2HB   ARG  71           HB1      ARG  71   6.164   9.908 -12.832
  559   1HG   ARG  71           HG2      ARG  71   4.747  10.468 -11.101
  560   2HG   ARG  71           HG1      ARG  71   4.658   8.820 -10.487
  561   1HD   ARG  71           HD2      ARG  71   7.056  10.657 -10.248
  562   2HD   ARG  71           HD1      ARG  71   5.941  10.245  -8.946
  563    HE   ARG  71           HE       ARG  71   6.996   7.832 -10.058
  564   1HH1  ARG  71          HH21      ARG  71   7.535  10.404  -7.850
  565   2HH1  ARG  71          HH22      ARG  71   8.932   9.676  -7.129
  566   1HH2  ARG  71          HH11      ARG  71   8.957   6.958  -9.281
  567   2HH2  ARG  71          HH12      ARG  71   9.737   7.726  -7.939
  568    H    ASN  72           HN       ASN  72   4.809   5.508 -13.174
  569    HA   ASN  72           HA       ASN  72   6.518   5.092 -15.421
  570   1HB   ASN  72           HB2      ASN  72   8.195   5.856 -13.647
  571   2HB   ASN  72           HB1      ASN  72   7.865   4.331 -12.827
  572   1HD2  ASN  72          HD22      ASN  72   9.898   4.280 -16.397
  573   2HD2  ASN  72          HD21      ASN  72   8.988   5.649 -15.976
  574    H    LYS  73           HN       LYS  73   5.060   3.798 -12.493
  575    HA   LYS  73           HA       LYS  73   4.623   1.246 -13.976
  576   1HB   LYS  73           HB2      LYS  73   5.410   1.465 -11.052
  577   2HB   LYS  73           HB1      LYS  73   5.050  -0.029 -11.917
  578   1HG   LYS  73           HG2      LYS  73   6.993   1.440 -13.425
  579   2HG   LYS  73           HG1      LYS  73   7.547   1.332 -11.753
  580   1HD   LYS  73           HD2      LYS  73   6.589  -1.209 -12.200
  581   2HD   LYS  73           HD1      LYS  73   7.268  -0.790 -13.774
  582   1HE   LYS  73           HE2      LYS  73   8.863  -0.182 -11.311
  583   2HE   LYS  73           HE1      LYS  73   8.805  -1.845 -11.896
  584   1HZ   LYS  73           HZ2      LYS  73   9.354  -0.801 -14.153
  585   2HZ   LYS  73           HZ1      LYS  73   9.841   0.558 -13.257
  586   3HZ   LYS  73           HZ3      LYS  73  10.603  -0.937 -13.009
  587    H    ARG  74           HN       ARG  74   3.214   0.075 -11.688
  588    HA   ARG  74           HA       ARG  74   0.942   1.960 -11.312
  589   1HB   ARG  74           HB2      ARG  74   0.696  -0.872 -12.377
  590   2HB   ARG  74           HB1      ARG  74  -0.659   0.161 -11.922
  591   1HG   ARG  74           HG2      ARG  74  -0.516   1.394 -13.826
  592   2HG   ARG  74           HG1      ARG  74   1.247   1.424 -13.782
  593   1HD   ARG  74           HD2      ARG  74   1.442  -0.438 -15.088
  594   2HD   ARG  74           HD1      ARG  74   0.041  -1.219 -14.356
  595    HE   ARG  74           HE       ARG  74  -0.933   0.947 -15.889
  596   1HH1  ARG  74          HH21      ARG  74   1.531  -0.820 -17.132
  597   2HH1  ARG  74          HH22      ARG  74   0.616  -1.632 -18.358
  598   1HH2  ARG  74          HH11      ARG  74  -2.456  -0.611 -17.117
  599   2HH2  ARG  74          HH12      ARG  74  -1.641  -1.514 -18.350
  600    H    LEU  75           HN       LEU  75   1.057   2.096  -9.091
  601    HA   LEU  75           HA       LEU  75   1.976   0.174  -7.273
  602   1HB   LEU  75           HB2      LEU  75  -0.108   2.326  -7.015
  603   2HB   LEU  75           HB1      LEU  75   0.227   1.248  -5.666
  604    HG   LEU  75           HG       LEU  75   1.610   3.206  -5.404
  605   1HD1  LEU  75          HD12      LEU  75   2.578   0.744  -5.245
  606   2HD1  LEU  75          HD11      LEU  75   3.561   1.278  -6.609
  607   3HD1  LEU  75          HD13      LEU  75   3.642   2.140  -5.073
  608   1HD2  LEU  75          HD21      LEU  75   1.440   3.573  -8.026
  609   2HD2  LEU  75          HD23      LEU  75   2.797   4.226  -7.110
  610   3HD2  LEU  75          HD22      LEU  75   2.987   2.725  -8.018
  611    H    LYS  76           HN       LYS  76   0.591  -1.032  -5.656
  612    HA   LYS  76           HA       LYS  76  -1.822  -2.238  -6.947
  613   1HB   LYS  76           HB2      LYS  76   0.389  -3.661  -6.903
  614   2HB   LYS  76           HB1      LYS  76   0.021  -3.842  -5.194
  615   1HG   LYS  76           HG2      LYS  76  -2.021  -4.943  -5.615
  616   2HG   LYS  76           HG1      LYS  76  -2.070  -4.394  -7.290
  617   1HD   LYS  76           HD2      LYS  76   0.067  -5.759  -7.647
  618   2HD   LYS  76           HD1      LYS  76  -0.263  -6.490  -6.075
  619   1HE   LYS  76           HE2      LYS  76  -2.688  -6.507  -7.595
  620   2HE   LYS  76           HE1      LYS  76  -1.401  -7.176  -8.599
  621   1HZ   LYS  76           HZ3      LYS  76  -1.074  -8.194  -6.030
  622   2HZ   LYS  76           HZ2      LYS  76  -2.719  -8.362  -6.419
  623   3HZ   LYS  76           HZ1      LYS  76  -1.531  -9.033  -7.431
  624    H    VAL  77           HN       VAL  77  -3.310  -3.176  -5.223
  625    HA   VAL  77           HA       VAL  77  -2.746  -2.267  -2.477
  626    HB   VAL  77           HB       VAL  77  -3.781  -0.317  -3.771
  627   1HG1  VAL  77          HG13      VAL  77  -5.419  -1.977  -4.915
  628   2HG1  VAL  77          HG12      VAL  77  -6.355  -1.844  -3.426
  629   3HG1  VAL  77          HG11      VAL  77  -6.046  -0.410  -4.404
  630   1HG2  VAL  77          HG23      VAL  77  -5.201  -1.460  -1.344
  631   2HG2  VAL  77          HG22      VAL  77  -3.790  -0.403  -1.327
  632   3HG2  VAL  77          HG21      VAL  77  -5.343   0.210  -1.894
  633    H    SER  78           HN       SER  78  -3.304  -3.980  -1.264
  634    HA   SER  78           HA       SER  78  -5.826  -5.432  -1.965
  635   1HB   SER  78           HB2      SER  78  -3.110  -6.458  -1.817
  636   2HB   SER  78           HB1      SER  78  -4.163  -7.282  -0.671
  637    HG   SER  78           HG       SER  78  -4.046  -7.502  -3.347
  638    H    TYR  79           HN       TYR  79  -6.574  -6.766   0.015
  639    HA   TYR  79           HA       TYR  79  -6.605  -4.974   2.331
  640   1HB   TYR  79           HB2      TYR  79  -7.863  -7.706   2.261
  641   2HB   TYR  79           HB1      TYR  79  -8.393  -6.266   3.126
  642    HD1  TYR  79           HD2      TYR  79  -8.277  -7.956  -0.147
  643    HD2  TYR  79           HD1      TYR  79  -9.613  -4.482   1.997
  644    HE1  TYR  79           HE2      TYR  79  -9.747  -7.347  -2.049
  645    HE2  TYR  79           HE1      TYR  79 -11.084  -3.875   0.095
  646    HH   TYR  79           HH       TYR  79 -12.023  -5.894  -2.218
  647    H    ALA  80           HN       ALA  80  -4.026  -5.951   1.937
  648    HA   ALA  80           HA       ALA  80  -2.276  -7.040   3.040
  649   1HB   ALA  80           HB3      ALA  80  -4.319  -6.531   5.172
  650   2HB   ALA  80           HB2      ALA  80  -2.911  -7.518   5.561
  651   3HB   ALA  80           HB1      ALA  80  -2.697  -5.862   4.994
  652    H    ARG  81           HN       ARG  81  -2.981  -8.894   1.516
  653    HA   ARG  81           HA       ARG  81  -3.189 -11.317   3.167
  654   1HB   ARG  81           HB2      ARG  81  -5.082 -12.235   1.858
  655   2HB   ARG  81           HB1      ARG  81  -5.542 -10.787   2.752
  656   1HG   ARG  81           HG2      ARG  81  -5.501  -9.432   0.809
  657   2HG   ARG  81           HG1      ARG  81  -4.593 -10.635  -0.108
  658   1HD   ARG  81           HD2      ARG  81  -6.968 -11.904   0.801
  659   2HD   ARG  81           HD1      ARG  81  -7.442 -10.346   0.125
  660    HE   ARG  81           HE       ARG  81  -5.617 -11.533  -1.689
  661   1HH1  ARG  81          HH11      ARG  81  -8.350 -10.572  -2.452
  662   2HH1  ARG  81          HH12      ARG  81  -9.139 -12.044  -2.911
  663   1HH2  ARG  81          HH21      ARG  81  -6.800 -14.090  -1.374
  664   2HH2  ARG  81          HH22      ARG  81  -8.262 -14.035  -2.301
  665    HA   PRO  82           HA       PRO  82  -0.711 -11.516  -0.814
  666   1HB   PRO  82           HB2      PRO  82   1.786 -11.374   0.318
  667   2HB   PRO  82           HB1      PRO  82   0.889  -9.953  -0.244
  668   1HG   PRO  82           HG2      PRO  82   1.362 -10.893   2.550
  669   2HG   PRO  82           HG1      PRO  82   1.084  -9.249   1.951
  670   1HD   PRO  82           HD2      PRO  82  -0.840 -10.883   3.224
  671   2HD   PRO  82           HD1      PRO  82  -1.169  -9.402   2.302
  672    H    GLY  83           HN       GLY  83   0.771 -13.333  -1.384
  673   1HA   GLY  83           HA2      GLY  83   1.215 -15.642  -1.329
  674   2HA   GLY  83           HA1      GLY  83   1.789 -15.297   0.301
  675    H    GLY  84           HN       GLY  84  -1.422 -15.526  -1.296
  676   1HA   GLY  84           HA2      GLY  84  -3.358 -16.661  -0.603
  677   2HA   GLY  84           HA1      GLY  84  -2.266 -17.819   0.157
  678    H    GLU  85           HN       GLU  85  -3.160 -14.399   0.758
  679    HA   GLU  85           HA       GLU  85  -3.531 -13.312   2.817
  680   1HB   GLU  85           HB2      GLU  85  -5.697 -14.349   2.542
  681   2HB   GLU  85           HB1      GLU  85  -5.085 -15.893   3.136
  682   1HG   GLU  85           HG2      GLU  85  -4.577 -13.698   5.004
  683   2HG   GLU  85           HG1      GLU  85  -6.296 -13.926   4.686
  684    H    SER  86           HN       SER  86  -1.482 -13.263   3.805
  685    HA   SER  86           HA       SER  86   0.284 -13.980   5.208
  686   1HB   SER  86           HB2      SER  86  -2.242 -14.624   6.737
  687   2HB   SER  86           HB1      SER  86  -0.640 -14.775   7.454
  688    HG   SER  86           HG       SER  86  -1.879 -12.676   7.620
  689    H    ILE  87           HN       ILE  87  -0.174 -15.902   3.216
  690    HA   ILE  87           HA       ILE  87   0.586 -18.091   2.802
  691    HB   ILE  87           HB       ILE  87   1.684 -17.538   5.262
  692   1HG1  ILE  87          HG12      ILE  87   2.713 -18.748   3.363
  693   2HG1  ILE  87          HG11      ILE  87   3.002 -19.571   4.895
  694   1HG2  ILE  87          HG22      ILE  87  -0.479 -18.834   6.132
  695   2HG2  ILE  87          HG21      ILE  87   0.495 -20.245   5.721
  696   3HG2  ILE  87          HG23      ILE  87   1.094 -19.071   6.891
  697   1HD1  ILE  87          HD11      ILE  87   0.609 -20.675   4.071
  698   2HD1  ILE  87          HD13      ILE  87   1.479 -20.470   2.551
  699   3HD1  ILE  87          HD12      ILE  87   2.195 -21.416   3.855
  700    H    LYS  88           HN       LYS  88  -0.589 -19.992   2.444
  701    HA   LYS  88           HA       LYS  88  -2.603 -21.048   4.135
  702   1HB   LYS  88           HB2      LYS  88  -4.645 -20.218   3.250
  703   2HB   LYS  88           HB1      LYS  88  -3.651 -18.786   3.500
  704   1HG   LYS  88           HG2      LYS  88  -4.149 -18.307   1.338
  705   2HG   LYS  88           HG1      LYS  88  -2.931 -19.524   0.955
  706   1HD   LYS  88           HD2      LYS  88  -4.963 -20.053  -0.270
  707   2HD   LYS  88           HD1      LYS  88  -4.732 -21.265   0.989
  708   1HE   LYS  88           HE2      LYS  88  -6.267 -19.859   2.458
  709   2HE   LYS  88           HE1      LYS  88  -6.642 -18.915   1.017
  710   1HZ   LYS  88           HZ1      LYS  88  -6.919 -21.863   1.125
  711   2HZ   LYS  88           HZ3      LYS  88  -8.188 -20.808   1.517
  712   3HZ   LYS  88           HZ2      LYS  88  -7.531 -20.799  -0.050
   
  No H/Q in entry =         712