*HEADER    RNA-BINDING PROTEIN                     26-MAY-99   2U2F              
*TITLE     SOLUTION STRUCTURE OF THE SECOND RNA-BINDING DOMAIN OF                
*TITLE    2 HU2AF65                                                              
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: SPLICING FACTOR U2AF 65 KD SUBUNIT;                        
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: SECOND RNA-BINDING DOMAIN;                                 
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   5 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   6 EXPRESSION_SYSTEM_CELL_LINE: BL21 (DE3);                             
*SOURCE   7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   8 EXPRESSION_SYSTEM_PLASMID: PK7                                       
*KEYWDS    SPLICING, U2 SNRNP, RBD                                               
*EXPDTA    NMR                                                                   
*AUTHOR    T.ITO, Y.MUTO, M.R.GREEN, S.YOKOYAMA                                  
*REVDAT   1   20-AUG-99 2U2F    0                                                
 assign (resid   1 and name HB# )(resid   1 and name HA  )  2.6 0.8 0.9 
 assign (resid   2 and name HB# )(resid   2 and name HA  )  3.1 1.3 1.4 
 assign (resid   2 and name HN  )(resid   1 and name HA  )  3.4 1.6 1.6 
 assign (resid   2 and name HN  )(resid   1 and name HB# )  3.1 1.3 1.4 
 assign (resid   2 and name HN  )(resid   2 and name HA  )  3.4 1.6 1.6 
 assign (resid   2 and name HN  )(resid   2 and name HB# )  2.9 1.1 1.1 
 assign (resid   2 and name HN  )(resid   4 and name HD* )  3.9 2.0 2.1 
 assign (resid   2 and name HN  )(resid  49 and name HB1 )  3.4 1.6 1.6 
 assign (resid   2 and name HN  )(resid  53 and name HG2#)  3.9 2.1 2.1 
 assign (resid   2 and name HN  )(resid  56 and name HG1#)  3.9 2.1 2.1 
 assign (resid   2 and name HN  )(resid  79 and name HB# )  3.9 2.1 2.1 
 assign (resid   3 and name HB2 )(resid   3 and name HE# )  2.6 0.8 0.9 
 assign (resid   3 and name HD# )(resid   3 and name HE# )  3.1 1.3 1.4 
 assign (resid   3 and name HG# )(resid   3 and name HE# )  3.6 1.8 1.9 
 assign (resid   3 and name HN  )(resid   2 and name HA  )  2.6 0.8 0.9 
 assign (resid   3 and name HN  )(resid   2 and name HB# )  3.9 2.1 2.1 
 assign (resid   3 and name HN  )(resid   3 and name HA  )  2.6 0.8 0.9 
 assign (resid   3 and name HN  )(resid   3 and name HB1 )  3.4 1.6 1.6 
 assign (resid   3 and name HN  )(resid   3 and name HB2 )  2.6 0.8 0.9 
 assign (resid   3 and name HN  )(resid  78 and name HB# )  3.9 2.1 2.1 
 assign (resid   4 and name HB1 )(resid   4 and name HA  )  2.6 0.8 0.9 
 assign (resid   4 and name HD* )(resid   4 and name HA  )  2.6 0.8 0.9 
 assign (resid   4 and name HD* )(resid   4 and name HB2 )  2.6 0.8 0.9 
 assign (resid   4 and name HD* )(resid   4 and name HG  )  2.6 0.8 0.9 
 assign (resid   4 and name HD* )(resid  56 and name HB  )  4.6 2.8 2.8 
 assign (resid   4 and name HD* )(resid  77 and name HA  )  3.9 2.0 2.1 
 assign (resid   4 and name HG  )(resid   4 and name HA  )  2.6 0.8 0.9 
 assign (resid   4 and name HN  )(resid   3 and name HA  )  2.1 0.3 0.4 
 assign (resid   4 and name HN  )(resid   3 and name HB1 )  3.4 1.6 1.6 
 assign (resid   4 and name HN  )(resid   3 and name HN  )  3.4 1.6 1.6 
 assign (resid   4 and name HN  )(resid   4 and name HA  )  2.6 0.8 0.9 
 assign (resid   4 and name HN  )(resid   4 and name HB2 )  2.6 0.8 0.9 
 assign (resid   4 and name HN  )(resid   4 and name HD* )  3.5 1.7 1.7 
 assign (resid   4 and name HN  )(resid   4 and name HG  )  2.1 0.3 0.4 
 assign (resid   4 and name HN  )(resid  48 and name HN  )  2.6 0.8 0.9 
 assign (resid   4 and name HN  )(resid  49 and name HB1 )  3.4 1.6 1.6 
 assign (resid   5 and name HB1 )(resid  78 and name HA  )  2.6 0.8 0.9 
 assign (resid   5 and name HB2 )(resid  78 and name HA  )  3.4 1.6 1.6 
 assign (resid   5 and name HD# )(resid   6 and name HA  )  3.6 1.8 1.9 
 assign (resid   5 and name HD# )(resid   7 and name HA2 )  4.4 2.6 2.6 
 assign (resid   5 and name HD# )(resid  45 and name HB2 )  4.4 2.6 2.6 
 assign (resid   5 and name HD# )(resid  74 and name HB1 )  4.4 2.6 2.6 
 assign (resid   5 and name HD# )(resid  74 and name HB2 )  3.6 1.8 1.9 
 assign (resid   5 and name HD# )(resid  75 and name HA  )  3.6 1.8 1.9 
 assign (resid   5 and name HD# )(resid  76 and name HG# )  4.9 3.1 3.1 
 assign (resid   5 and name HD# )(resid  78 and name HA  )  4.4 2.6 2.6 
 assign (resid   5 and name HE# )(resid   7 and name HA1 )  3.6 1.8 1.9 
 assign (resid   5 and name HE# )(resid   7 and name HA2 )  3.6 1.8 1.9 
 assign (resid   5 and name HE# )(resid  45 and name HB1 )  3.6 1.8 1.9 
 assign (resid   5 and name HE# )(resid  45 and name HB2 )  3.6 1.8 1.9 
 assign (resid   5 and name HE# )(resid  74 and name HB1 )  4.4 2.6 2.6 
 assign (resid   5 and name HN  )(resid   4 and name HA  )  2.1 0.3 0.4 
 assign (resid   5 and name HN  )(resid   4 and name HB1 )  2.6 0.8 0.9 
 assign (resid   5 and name HN  )(resid   4 and name HB2 )  3.4 1.6 1.6 
 assign (resid   5 and name HN  )(resid   4 and name HD* )  3.9 2.0 2.1 
 assign (resid   5 and name HN  )(resid   4 and name HG  )  3.4 1.6 1.6 
 assign (resid   5 and name HN  )(resid   5 and name HB1 )  2.1 0.3 0.4 
 assign (resid   5 and name HN  )(resid   5 and name HB2 )  2.6 0.8 0.9 
 assign (resid   5 and name HN  )(resid   6 and name HD# )  3.9 2.1 2.1 
 assign (resid   5 and name HN  )(resid  76 and name HN  )  2.6 0.8 0.9 
 assign (resid   5 and name HN  )(resid  77 and name HA  )  2.6 0.8 0.9 
 assign (resid   5 and name HN  )(resid  78 and name HB# )  3.1 1.3 1.4 
 assign (resid   5 and name HZ  )(resid   7 and name HA1 )  3.1 1.3 1.4 
 assign (resid   5 and name HZ  )(resid   7 and name HA2 )  3.1 1.3 1.4 
 assign (resid   5 and name HZ  )(resid  45 and name HB1 )  2.6 0.8 0.9 
 assign (resid   5 and name HZ  )(resid  45 and name HB2 )  2.6 0.8 0.9 
 assign (resid   5 and name HZ  )(resid  74 and name HG  )  3.4 1.6 1.6 
 assign (resid   6 and name HB  )(resid   6 and name HA  )  2.6 0.8 0.9 
 assign (resid   6 and name HD# )(resid  47 and name HA  )  3.1 1.3 1.4 
 assign (resid   6 and name HD# )(resid  75 and name HA  )  3.9 2.1 2.1 
 assign (resid   6 and name HG1#)(resid   6 and name HA  )  2.9 1.1 1.1 
 assign (resid   6 and name HG2#)(resid   6 and name HA  )  2.5 0.7 0.6 
 assign (resid   6 and name HG2#)(resid   8 and name HA1 )  3.1 1.3 1.4 
 assign (resid   6 and name HG2#)(resid   8 and name HA2 )  3.9 2.1 2.1 
 assign (resid   6 and name HG2#)(resid   9 and name HA  )  3.1 1.3 1.4 
 assign (resid   6 and name HG2#)(resid  10 and name HD# )  3.9 2.1 2.1 
 assign (resid   6 and name HG2#)(resid  46 and name HB# )  3.9 2.1 2.1 
 assign (resid   6 and name HG2#)(resid  75 and name HA  )  3.9 2.1 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 HD# )  3.6 1.8 1.9 
 assign (resid   6 and name HN  )(resid   6 and name HA  )  2.6 0.8 0.9 
 assign (resid   6 and name HN  )(resid   6 and name HB  )  2.1 0.3 0.4 
 assign (resid   6 and name HN  )(resid   6 and name HD# )  2.6 0.8 0.9 
 assign (resid   6 and name HN  )(resid   6 and name HG1#)  3.1 1.3 1.4 
 assign (resid   6 and name HN  )(resid   6 and name HG2#)  3.1 1.3 1.4 
 assign (resid   6 and name HN  )(resid  47 and name HA  )  2.6 0.8 0.9 
 assign (resid   7 and name HA2 )(resid  45 and name HA  )  2.6 0.8 0.9 
 assign (resid   7 and name HN  )(resid   6 and name HA  )  2.1 0.3 0.4 
 assign (resid   7 and name HN  )(resid   6 and name HG2#)  3.1 1.3 1.4 
 assign (resid   7 and name HN  )(resid   7 and name HA1 )  2.1 0.3 0.4 
 assign (resid   7 and name HN  )(resid   7 and name HA2 )  2.6 0.8 0.9 
 assign (resid   7 and name HN  )(resid   9 and name HN  )  3.9 2.1 2.1 
 assign (resid   7 and name HN  )(resid  74 and name HN  )  3.4 1.6 1.6 
 assign (resid   7 and name HN  )(resid  75 and name HA  )  2.6 0.8 0.9 
 assign (resid   7 and name HN  )(resid  75 and name HG2#)  3.1 1.3 1.4 
 assign (resid   8 and name HA1 )(resid  73 and name HA  )  3.4 1.6 1.6 
 assign (resid   8 and name HN  )(resid   5 and name HZ  )  3.9 2.1 2.1 
 assign (resid   8 and name HN  )(resid   6 and name HG2#)  3.1 1.3 1.4 
 assign (resid   8 and name HN  )(resid   7 and name HA1 )  3.4 1.6 1.6 
 assign (resid   8 and name HN  )(resid   8 and name HA1 )  2.6 0.8 0.9 
 assign (resid   8 and name HN  )(resid   8 and name HA2 )  2.6 0.8 0.9 
 assign (resid   8 and name HN  )(resid   9 and name HG  )  3.4 1.6 1.6 
 assign (resid   8 and name HN  )(resid   9 and name HN  )  2.1 0.3 0.4 
 assign (resid   8 and name HN  )(resid  45 and name HA  )  2.6 0.8 0.9 
 assign (resid   8 and name HN  )(resid  45 and name HB1 )  3.4 1.6 1.6 
 assign (resid   9 and name HB1 )(resid   9 and name HA  )  2.6 0.8 0.9 
 assign (resid   9 and name HB1 )(resid  11 and name HA  )  3.4 1.6 1.6 
 assign (resid   9 and name HB2 )(resid  44 and name HA# )  3.1 1.3 1.4 
 assign (resid   9 and name HD1#)(resid   6 and name HB  )  3.1 1.3 1.4 
 assign (resid   9 and name HD1#)(resid   6 and name HG2#)  3.9 2.1 2.1 
 assign (resid   9 and name HD1#)(resid   9 and name HA  )  3.1 1.3 1.4 
 assign (resid   9 and name HD1#)(resid   9 and name HG  )  2.6 0.8 0.9 
 assign (resid   9 and name HD1#)(resid  18 and name HA  )  3.9 2.1 2.1 
 assign (resid   9 and name HD1#)(resid  18 and name HB  )  3.9 2.1 2.1 
 assign (resid   9 and name HD1#)(resid  18 and name HG1#)  3.1 1.3 1.4 
 assign (resid   9 and name HD1#)(resid  21 and name HD* )  5.1 3.3 3.3 
 assign (resid   9 and name HD1#)(resid  44 and name HA# )  4.4 2.6 2.6 
 assign (resid   9 and name HD1#)(resid  45 and name HA  )  3.1 1.3 1.4 
 assign (resid   9 and name HD1#)(resid  46 and name HB# )  3.1 1.3 1.4 
 assign (resid   9 and name HD2#)(resid   9 and name HA  )  2.6 0.8 0.9 
 assign (resid   9 and name HD2#)(resid   9 and name HB2 )  3.1 1.3 1.4 
 assign (resid   9 and name HD2#)(resid   9 and name HG  )  2.6 0.8 0.9 
 assign (resid   9 and name HD2#)(resid  10 and name HD# )  3.6 1.8 1.9 
 assign (resid   9 and name HD2#)(resid  10 and name HG# )  4.4 2.6 2.6 
 assign (resid   9 and name HD2#)(resid  18 and name HA  )  3.9 2.1 2.1 
 assign (resid   9 and name HD2#)(resid  18 and name HB  )  3.9 2.1 2.1 
 assign (resid   9 and name HD2#)(resid  18 and name HG1#)  3.1 1.3 1.4 
 assign (resid   9 and name HD2#)(resid  18 and name HG2#)  3.1 1.3 1.4 
 assign (resid   9 and name HD2#)(resid  21 and name HB2 )  3.9 2.1 2.1 
 assign (resid   9 and name HD2#)(resid  21 and name HD* )  5.1 3.3 3.3 
 assign (resid   9 and name HD2#)(resid  45 and name HA  )  3.9 2.1 2.1 
 assign (resid   9 and name HG  )(resid   9 and name HA  )  2.6 0.8 0.9 
 assign (resid   9 and name HG  )(resid  45 and name HA  )  3.4 1.6 1.6 
 assign (resid   9 and name HN  )(resid   7 and name HA1 )  3.4 1.6 1.6 
 assign (resid   9 and name HN  )(resid   8 and name HA1 )  2.6 0.8 0.9 
 assign (resid   9 and name HN  )(resid   8 and name HA2 )  2.6 0.8 0.9 
 assign (resid   9 and name HN  )(resid   9 and name HA  )  2.6 0.8 0.9 
 assign (resid   9 and name HN  )(resid   9 and name HB2 )  2.1 0.3 0.4 
 assign (resid   9 and name HN  )(resid   9 and name HD1#)  3.1 1.3 1.4 
 assign (resid   9 and name HN  )(resid   9 and name HD2#)  3.1 1.3 1.4 
 assign (resid   9 and name HN  )(resid   9 and name HG  )  2.1 0.3 0.4 
 assign (resid   9 and name HN  )(resid  44 and name HA# )  3.9 2.1 2.1 
 assign (resid   9 and name HN  )(resid  45 and name HA  )  2.6 0.8 0.9 
 assign (resid   9 and name HN  )(resid  73 and name HD* )  3.8 2.0 2.1 
 assign (resid  10 and name HB1 )(resid  10 and name HA  )  2.6 0.8 0.9 
 assign (resid  10 and name HB1 )(resid  10 and name HD# )  3.1 1.3 1.4 
 assign (resid  10 and name HB2 )(resid  10 and name HD# )  3.9 2.1 2.1 
 assign (resid  10 and name HD# )(resid   9 and name HA  )  2.6 0.8 0.9 
 assign (resid  10 and name HG# )(resid   9 and name HA  )  3.9 2.1 2.1 
 assign (resid  10 and name HG# )(resid  10 and name HB1 )  2.6 0.8 0.9 
 assign (resid  10 and name HG# )(resid  10 and name HD# )  3.1 1.3 1.4 
 assign (resid  11 and name HB# )(resid  11 and name HA  )  2.6 0.8 0.9 
 assign (resid  11 and name HD21)(resid  11 and name HA  )  3.4 1.6 1.6 
 assign (resid  11 and name HD21)(resid  11 and name HB# )  3.1 1.3 1.4 
 assign (resid  11 and name HD22)(resid  11 and name HA  )  3.4 1.6 1.6 
 assign (resid  11 and name HD22)(resid  11 and name HB# )  3.1 1.3 1.4 
 assign (resid  12 and name HB1 )(resid  12 and name HA  )  2.1 0.3 0.4 
 assign (resid  12 and name HB2 )(resid  12 and name HA  )  2.1 0.3 0.4 
 assign (resid  12 and name HD# )(resid  10 and name HB1 )  3.6 1.8 1.9 
 assign (resid  12 and name HD# )(resid  12 and name HA  )  2.6 0.8 0.9 
 assign (resid  12 and name HD# )(resid  12 and name HB1 )  2.6 0.8 0.9 
 assign (resid  12 and name HD# )(resid  12 and name HB2 )  2.6 0.8 0.9 
 assign (resid  12 and name HD# )(resid  12 and name HN  )  3.1 1.3 1.4 
 assign (resid  12 and name HD# )(resid  13 and name HD2#)  3.6 1.8 1.9 
 assign (resid  12 and name HD# )(resid  13 and name HN  )  3.6 1.8 1.9 
 assign (resid  12 and name HE# )(resid  12 and name HB1 )  3.1 1.3 1.4 
 assign (resid  12 and name HE# )(resid  12 and name HB2 )  3.1 1.3 1.4 
 assign (resid  12 and name HE# )(resid  13 and name HG  )  4.4 2.6 2.6 
 assign (resid  12 and name HN  )(resid  10 and name HA  )  3.4 1.6 1.6 
 assign (resid  12 and name HN  )(resid  10 and name HB1 )  3.4 1.6 1.6 
 assign (resid  12 and name HN  )(resid  10 and name HB2 )  2.6 0.8 0.9 
 assign (resid  12 and name HN  )(resid  11 and name HA  )  2.6 0.8 0.9 
 assign (resid  12 and name HN  )(resid  11 and name HB# )  3.9 2.1 2.1 
 assign (resid  12 and name HN  )(resid  12 and name HA  )  2.6 0.8 0.9 
 assign (resid  12 and name HN  )(resid  12 and name HB1 )  2.6 0.8 0.9 
 assign (resid  12 and name HN  )(resid  13 and name HG  )  3.4 1.6 1.6 
 assign (resid  12 and name HN  )(resid  13 and name HN  )  2.6 0.8 0.9 
 assign (resid  13 and name HB2 )(resid  13 and name HA  )  2.6 0.8 0.9 
 assign (resid  13 and name HD1#)(resid   9 and name HA  )  3.1 1.3 1.4 
 assign (resid  13 and name HD1#)(resid  10 and name HD# )  3.6 1.8 1.9 
 assign (resid  13 and name HD1#)(resid  10 and name HG# )  3.1 1.3 1.4 
 assign (resid  13 and name HD1#)(resid  13 and name HA  )  3.1 1.3 1.4 
 assign (resid  13 and name HD1#)(resid  13 and name HB2 )  2.6 0.8 0.9 
 assign (resid  13 and name HD1#)(resid  18 and name HA  )  3.1 1.3 1.4 
 assign (resid  13 and name HD1#)(resid  18 and name HG2#)  3.1 1.3 1.4 
 assign (resid  13 and name HD2#)(resid  13 and name HA  )  3.9 2.1 2.1 
 assign (resid  13 and name HD2#)(resid  17 and name HA  )  3.9 2.1 2.1 
 assign (resid  13 and name HG  )(resid  13 and name HA  )  3.4 1.6 1.6 
 assign (resid  13 and name HN  )(resid  10 and name HB2 )  3.4 1.6 1.6 
 assign (resid  13 and name HN  )(resid  11 and name HA  )  3.4 1.6 1.6 
 assign (resid  13 and name HN  )(resid  12 and name HB1 )  3.4 1.6 1.6 
 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 HB2 )  2.6 0.8 0.9 
 assign (resid  13 and name HN  )(resid  13 and name HD1#)  3.1 1.3 1.4 
 assign (resid  13 and name HN  )(resid  13 and name HD2#)  3.1 1.3 1.4 
 assign (resid  13 and name HN  )(resid  13 and name HG  )  2.1 0.3 0.4 
 assign (resid  13 and name HN  )(resid  18 and name HG2#)  3.9 2.1 2.1 
 assign (resid  14 and name HB2 )(resid  14 and name HA  )  2.6 0.8 0.9 
 assign (resid  14 and name HD21)(resid  14 and name HB2 )  2.6 0.8 0.9 
 assign (resid  14 and name HD22)(resid  14 and name HB1 )  3.4 1.6 1.6 
 assign (resid  14 and name HD22)(resid  14 and name HB2 )  3.4 1.6 1.6 
 assign (resid  14 and name HD22)(resid  17 and name HG# )  3.1 1.3 1.4 
 assign (resid  14 and name HN  )(resid  13 and name HA  )  2.1 0.3 0.4 
 assign (resid  14 and name HN  )(resid  13 and name HB1 )  2.6 0.8 0.9 
 assign (resid  14 and name HN  )(resid  13 and name HG  )  3.4 1.6 1.6 
 assign (resid  14 and name HN  )(resid  13 and name HN  )  3.4 1.6 1.6 
 assign (resid  14 and name HN  )(resid  17 and name HB1 )  2.6 0.8 0.9 
 assign (resid  14 and name HN  )(resid  17 and name HG# )  3.1 1.3 1.4 
 assign (resid  14 and name HN  )(resid  17 and name HN  )  2.6 0.8 0.9 
 assign (resid  15 and name HB1 )(resid  15 and name HA  )  2.6 0.8 0.9 
 assign (resid  15 and name HB1 )(resid  16 and name HA  )  3.4 1.6 1.6 
 assign (resid  15 and name HN  )(resid  14 and name HA  )  3.4 1.6 1.6 
 assign (resid  15 and name HN  )(resid  14 and name HB1 )  2.6 0.8 0.9 
 assign (resid  15 and name HN  )(resid  14 and name HB2 )  2.1 0.3 0.4 
 assign (resid  15 and name HN  )(resid  14 and name HD22)  3.4 1.6 1.6 
 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 HB1 )  2.6 0.8 0.9 
 assign (resid  15 and name HN  )(resid  16 and name HN  )  2.6 0.8 0.9 
 assign (resid  16 and name HB# )(resid  16 and name HA  )  2.6 0.8 0.9 
 assign (resid  16 and name HN  )(resid  14 and name HB1 )  3.4 1.6 1.6 
 assign (resid  16 and name HN  )(resid  14 and name HB2 )  3.4 1.6 1.6 
 assign (resid  16 and name HN  )(resid  15 and name HA  )  2.6 0.8 0.9 
 assign (resid  16 and name HN  )(resid  15 and name HB1 )  2.1 0.3 0.4 
 assign (resid  16 and name HN  )(resid  15 and name HB2 )  3.4 1.6 1.6 
 assign (resid  16 and name HN  )(resid  16 and name HA  )  2.6 0.8 0.9 
 assign (resid  16 and name HN  )(resid  31 and name HE# )  4.4 2.6 2.6 
 assign (resid  17 and name HB2 )(resid  17 and name HA  )  2.6 0.8 0.9 
 assign (resid  17 and name HB2 )(resid  17 and name HG# )  2.6 0.8 0.9 
 assign (resid  17 and name HE21)(resid  17 and name HA  )  3.4 1.6 1.6 
 assign (resid  17 and name HE21)(resid  17 and name HG# )  3.1 1.3 1.4 
 assign (resid  17 and name HE22)(resid  13 and name HD2#)  3.1 1.3 1.4 
 assign (resid  17 and name HE22)(resid  17 and name HB2 )  2.6 0.8 0.9 
 assign (resid  17 and name HE22)(resid  17 and name HG# )  3.1 1.3 1.4 
 assign (resid  17 and name HG# )(resid  17 and name HA  )  2.5 0.7 0.6 
 assign (resid  17 and name HN  )(resid  16 and name HA  )  2.6 0.8 0.9 
 assign (resid  17 and name HN  )(resid  16 and name HB# )  3.1 1.3 1.4 
 assign (resid  17 and name HN  )(resid  16 and name HN  )  2.1 0.3 0.4 
 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 )  2.1 0.3 0.4 
 assign (resid  17 and name HN  )(resid  17 and name HG# )  3.1 1.3 1.4 
 assign (resid  18 and name HB  )(resid  15 and name HA  )  2.6 0.8 0.9 
 assign (resid  18 and name HB  )(resid  18 and name HA  )  2.6 0.8 0.9 
 assign (resid  18 and name HG1#)(resid  18 and name HA  )  2.5 0.7 0.6 
 assign (resid  18 and name HG2#)(resid  13 and name HB1 )  2.6 0.8 0.9 
 assign (resid  18 and name HG2#)(resid  15 and name HA  )  3.9 2.1 2.1 
 assign (resid  18 and name HG2#)(resid  18 and name HA  )  2.5 0.7 0.6 
 assign (resid  18 and name HG2#)(resid  18 and name HB  )  2.6 0.8 0.9 
 assign (resid  18 and name HN  )(resid  13 and name HB1 )  3.4 1.6 1.6 
 assign (resid  18 and name HN  )(resid  15 and name HA  )  3.4 1.6 1.6 
 assign (resid  18 and name HN  )(resid  17 and name HA  )  2.6 0.8 0.9 
 assign (resid  18 and name HN  )(resid  17 and name HB1 )  2.6 0.8 0.9 
 assign (resid  18 and name HN  )(resid  17 and name HB2 )  2.6 0.8 0.9 
 assign (resid  18 and name HN  )(resid  17 and name HG# )  3.9 2.1 2.1 
 assign (resid  18 and name HN  )(resid  18 and name HA  )  2.6 0.8 0.9 
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 assign (resid  19 and name HB2 )(resid  19 and name HE# )  3.9 2.1 2.1 
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 assign (resid  19 and name HG# )(resid  16 and name HA  )  3.1 1.3 1.4 
 assign (resid  19 and name HG# )(resid  19 and name HA  )  2.5 0.7 0.6 
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 assign (resid  19 and name HG# )(resid  19 and name HD# )  4.4 2.6 2.6 
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 assign (resid  19 and name HN  )(resid  16 and name HA  )  2.6 0.8 0.9 
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 assign (resid  19 and name HN  )(resid  19 and name HA  )  2.6 0.8 0.9 
 assign (resid  19 and name HN  )(resid  19 and name HB1 )  2.1 0.3 0.4 
 assign (resid  19 and name HN  )(resid  19 and name HB2 )  2.6 0.8 0.9 
 assign (resid  19 and name HN  )(resid  20 and name HN  )  2.1 0.3 0.4 
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 assign (resid  19 and name HN  )(resid  31 and name HZ  )  3.1 1.3 1.4 
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 assign (resid  21 and name HG  )(resid  18 and name HA  )  2.6 0.8 0.9 
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 assign (resid  21 and name HN  )(resid  18 and name HA  )  3.4 1.6 1.6 
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 assign (resid  21 and name HN  )(resid  20 and name HA  )  2.6 0.8 0.9 
 assign (resid  21 and name HN  )(resid  20 and name HB# )  3.1 1.3 1.4 
 assign (resid  21 and name HN  )(resid  20 and name HG# )  3.1 1.3 1.4 
 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* )  3.0 1.2 1.2 
 assign (resid  21 and name HN  )(resid  21 and name HG  )  2.1 0.3 0.4 
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 assign (resid  22 and name HG  )(resid  22 and name HA  )  2.6 0.8 0.9 
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 assign (resid  22 and name HN  )(resid  19 and name HA  )  2.6 0.8 0.9 
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 assign (resid  22 and name HN  )(resid  21 and name HN  )  2.1 0.3 0.4 
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 assign (resid  23 and name HG1#)(resid  23 and name HB  )  2.6 0.8 0.9 
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 assign (resid  23 and name HN  )(resid  19 and name HG# )  3.9 2.1 2.1 
 assign (resid  23 and name HN  )(resid  20 and name HA  )  2.6 0.8 0.9 
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 assign (resid  54 and name HN  )(resid  54 and name HB1 )  2.1 0.3 0.4 
 assign (resid  54 and name HN  )(resid  54 and name HB2 )  2.6 0.8 0.9 
 assign (resid  54 and name HN  )(resid  55 and name HN  )  2.6 0.8 0.9 
 assign (resid  54 and name HN  )(resid  56 and name HN  )  3.4 1.6 1.6 
 assign (resid  55 and name HB  )(resid  50 and name HB1 )  3.4 1.6 1.6 
 assign (resid  55 and name HB  )(resid  52 and name HB1 )  2.6 0.8 0.9 
 assign (resid  55 and name HB  )(resid  55 and name HA  )  2.6 0.8 0.9 
 assign (resid  55 and name HG1#)(resid  25 and name HA  )  3.9 2.1 2.1 
 assign (resid  55 and name HG1#)(resid  25 and name HB1 )  2.6 0.8 0.9 
 assign (resid  55 and name HG1#)(resid  25 and name HB2 )  3.9 2.1 2.1 
 assign (resid  55 and name HG1#)(resid  26 and name HA1 )  3.1 1.3 1.4 
 assign (resid  55 and name HG1#)(resid  26 and name HA2 )  3.9 2.1 2.1 
 assign (resid  55 and name HG1#)(resid  50 and name HA  )  3.9 2.1 2.1 
 assign (resid  55 and name HG1#)(resid  50 and name HB1 )  3.1 1.3 1.4 
 assign (resid  55 and name HG1#)(resid  50 and name HB2 )  3.9 2.1 2.1 
 assign (resid  55 and name HG1#)(resid  55 and name HA  )  2.5 0.7 0.6 
 assign (resid  55 and name HG1#)(resid  55 and name HB  )  2.6 0.8 0.9 
 assign (resid  55 and name HG1#)(resid  56 and name HB  )  3.9 2.1 2.1 
 assign (resid  55 and name HG1#)(resid  58 and name HB1 )  3.9 2.1 2.1 
 assign (resid  55 and name HG1#)(resid  58 and name HB2 )  3.9 2.1 2.1 
 assign (resid  55 and name HG2#)(resid  25 and name HB1 )  3.9 2.1 2.1 
 assign (resid  55 and name HG2#)(resid  52 and name HB1 )  2.6 0.8 0.9 
 assign (resid  55 and name HG2#)(resid  52 and name HB2 )  2.6 0.8 0.9 
 assign (resid  55 and name HG2#)(resid  55 and name HA  )  2.5 0.7 0.6 
 assign (resid  55 and name HN  )(resid  52 and name HB1 )  2.6 0.8 0.9 
 assign (resid  55 and name HN  )(resid  52 and name HB2 )  3.4 1.6 1.6 
 assign (resid  55 and name HN  )(resid  54 and name HA  )  3.4 1.6 1.6 
 assign (resid  55 and name HN  )(resid  54 and name HB1 )  2.6 0.8 0.9 
 assign (resid  55 and name HN  )(resid  54 and name HB2 )  3.4 1.6 1.6 
 assign (resid  55 and name HN  )(resid  55 and name HA  )  2.6 0.8 0.9 
 assign (resid  55 and name HN  )(resid  55 and name HB  )  2.1 0.3 0.4 
 assign (resid  55 and name HN  )(resid  55 and name HG2#)  2.6 0.8 0.9 
 assign (resid  55 and name HN  )(resid  56 and name HN  )  2.6 0.8 0.9 
 assign (resid  56 and name HB  )(resid  56 and name HA  )  2.6 0.8 0.9 
 assign (resid  56 and name HG1#)(resid   4 and name HG  )  3.4 1.6 1.6 
 assign (resid  56 and name HG1#)(resid  53 and name HA  )  3.1 1.3 1.4 
 assign (resid  56 and name HG1#)(resid  56 and name HA  )  2.5 0.7 0.6 
 assign (resid  56 and name HG1#)(resid  56 and name HB  )  2.6 0.8 0.9 
 assign (resid  56 and name HN  )(resid  50 and name HD# )  4.4 2.6 2.6 
 assign (resid  56 and name HN  )(resid  53 and name HA  )  2.6 0.8 0.9 
 assign (resid  56 and name HN  )(resid  54 and name HA  )  3.4 1.6 1.6 
 assign (resid  56 and name HN  )(resid  55 and name HA  )  3.4 1.6 1.6 
 assign (resid  56 and name HN  )(resid  55 and name HB  )  2.6 0.8 0.9 
 assign (resid  56 and name HN  )(resid  55 and name HG1#)  3.4 1.6 1.6 
 assign (resid  56 and name HN  )(resid  55 and name HG2#)  3.9 2.1 2.1 
 assign (resid  56 and name HN  )(resid  56 and name HA  )  2.6 0.8 0.9 
 assign (resid  56 and name HN  )(resid  56 and name HB  )  2.1 0.3 0.4 
 assign (resid  56 and name HN  )(resid  56 and name HG1#)  3.1 1.3 1.4 
 assign (resid  57 and name HB# )(resid  57 and name HA  )  2.6 0.8 0.9 
 assign (resid  57 and name HN  )(resid  53 and name HA  )  3.4 1.6 1.6 
 assign (resid  57 and name HN  )(resid  54 and name HA  )  2.6 0.8 0.9 
 assign (resid  57 and name HN  )(resid  56 and name HA  )  3.4 1.6 1.6 
 assign (resid  57 and name HN  )(resid  56 and name HB  )  2.6 0.8 0.9 
 assign (resid  57 and name HN  )(resid  56 and name HG1#)  3.9 2.1 2.1 
 assign (resid  57 and name HN  )(resid  56 and name HN  )  2.6 0.8 0.9 
 assign (resid  57 and name HN  )(resid  57 and name HA  )  2.6 0.8 0.9 
 assign (resid  57 and name HN  )(resid  57 and name HB# )  2.5 0.7 0.6 
 assign (resid  57 and name HN  )(resid  58 and name HN  )  2.6 0.8 0.9 
 assign (resid  58 and name HB1 )(resid  55 and name HA  )  2.6 0.8 0.9 
 assign (resid  58 and name HB1 )(resid  58 and name HA  )  2.6 0.8 0.9 
 assign (resid  58 and name HB2 )(resid  55 and name HA  )  2.6 0.8 0.9 
 assign (resid  58 and name HB2 )(resid  58 and name HA  )  2.1 0.3 0.4 
 assign (resid  58 and name HE21)(resid  58 and name HB1 )  2.6 0.8 0.9 
 assign (resid  58 and name HE21)(resid  58 and name HG# )  3.1 1.3 1.4 
 assign (resid  58 and name HE22)(resid  55 and name HA  )  2.6 0.8 0.9 
 assign (resid  58 and name HE22)(resid  58 and name HB1 )  3.4 1.6 1.6 
 assign (resid  58 and name HE22)(resid  58 and name HB2 )  3.4 1.6 1.6 
 assign (resid  58 and name HE22)(resid  58 and name HG# )  3.1 1.3 1.4 
 assign (resid  58 and name HG# )(resid  55 and name HA  )  3.9 2.1 2.1 
 assign (resid  58 and name HG# )(resid  58 and name HA  )  2.9 1.1 1.1 
 assign (resid  58 and name HN  )(resid  55 and name HA  )  3.4 1.6 1.6 
 assign (resid  58 and name HN  )(resid  55 and name HG1#)  3.9 2.1 2.1 
 assign (resid  58 and name HN  )(resid  57 and name HA  )  3.4 1.6 1.6 
 assign (resid  58 and name HN  )(resid  57 and name HB# )  2.6 0.8 0.9 
 assign (resid  58 and name HN  )(resid  58 and name HA  )  2.6 0.8 0.9 
 assign (resid  58 and name HN  )(resid  58 and name HB1 )  2.6 0.8 0.9 
 assign (resid  58 and name HN  )(resid  58 and name HB2 )  2.6 0.8 0.9 
 assign (resid  59 and name HA  )(resid  62 and name HA1 )  3.4 1.6 1.6 
 assign (resid  59 and name HB# )(resid  59 and name HA  )  2.6 0.8 0.9 
 assign (resid  59 and name HN  )(resid  55 and name HG1#)  3.9 2.1 2.1 
 assign (resid  59 and name HN  )(resid  57 and name HA  )  3.4 1.6 1.6 
 assign (resid  59 and name HN  )(resid  58 and name HA  )  3.4 1.6 1.6 
 assign (resid  59 and name HN  )(resid  58 and name HB1 )  2.1 0.3 0.4 
 assign (resid  59 and name HN  )(resid  58 and name HB2 )  3.4 1.6 1.6 
 assign (resid  59 and name HN  )(resid  59 and name HA  )  2.6 0.8 0.9 
 assign (resid  59 and name HN  )(resid  59 and name HB# )  2.5 0.7 0.6 
 assign (resid  59 and name HN  )(resid  60 and name HN  )  2.6 0.8 0.9 
 assign (resid  60 and name HB  )(resid  57 and name HA  )  2.6 0.8 0.9 
 assign (resid  60 and name HB  )(resid  57 and name HB# )  3.9 2.1 2.1 
 assign (resid  60 and name HB  )(resid  60 and name HA  )  2.6 0.8 0.9 
 assign (resid  60 and name HG1#)(resid  60 and name HA  )  2.5 0.7 0.6 
 assign (resid  60 and name HG1#)(resid  60 and name HD# )  3.6 1.8 1.9 
 assign (resid  60 and name HG2#)(resid  60 and name HA  )  2.5 0.7 0.6 
 assign (resid  60 and name HG2#)(resid  76 and name HA  )  3.1 1.3 1.4 
 assign (resid  60 and name HN  )(resid   4 and name HD* )  3.9 2.0 2.1 
 assign (resid  60 and name HN  )(resid  57 and name HA  )  2.6 0.8 0.9 
 assign (resid  60 and name HN  )(resid  59 and name HA  )  3.4 1.6 1.6 
 assign (resid  60 and name HN  )(resid  59 and name HB# )  2.6 0.8 0.9 
 assign (resid  60 and name HN  )(resid  60 and name HA  )  2.6 0.8 0.9 
 assign (resid  60 and name HN  )(resid  60 and name HB  )  2.1 0.3 0.4 
 assign (resid  60 and name HN  )(resid  60 and name HG1#)  3.1 1.3 1.4 
 assign (resid  60 and name HN  )(resid  61 and name HN  )  2.6 0.8 0.9 
 assign (resid  61 and name HB# )(resid  58 and name HA  )  3.1 1.3 1.4 
 assign (resid  61 and name HB# )(resid  58 and name HG# )  4.4 2.6 2.6 
 assign (resid  61 and name HB# )(resid  61 and name HA  )  2.6 0.8 0.9 
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 assign (resid  61 and name HN  )(resid  58 and name HA  )  2.6 0.8 0.9 
 assign (resid  61 and name HN  )(resid  60 and name HA  )  2.6 0.8 0.9 
 assign (resid  61 and name HN  )(resid  60 and name HB  )  2.6 0.8 0.9 
 assign (resid  61 and name HN  )(resid  60 and name HG1#)  3.1 1.3 1.4 
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 assign (resid  61 and name HN  )(resid  61 and name HA  )  2.6 0.8 0.9 
 assign (resid  61 and name HN  )(resid  61 and name HB# )  2.5 0.7 0.6 
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 assign (resid  62 and name HN  )(resid  61 and name HN  )  2.6 0.8 0.9 
 assign (resid  62 and name HN  )(resid  62 and name HA1 )  2.1 0.3 0.4 
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 assign (resid  63 and name HB2 )(resid  63 and name HA  )  2.6 0.8 0.9 
 assign (resid  63 and name HD* )(resid  22 and name HA  )  4.6 2.8 2.8 
 assign (resid  63 and name HD* )(resid  59 and name HA  )  4.6 2.8 2.8 
 assign (resid  63 and name HD* )(resid  63 and name HA  )  3.9 2.1 2.1 
 assign (resid  63 and name HD* )(resid  63 and name HG  )  3.1 1.3 1.4 
 assign (resid  63 and name HG  )(resid  59 and name HA  )  3.4 1.6 1.6 
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 assign (resid  63 and name HN  )(resid  25 and name HZ  )  3.9 2.1 2.1 
 assign (resid  63 and name HN  )(resid  60 and name HA  )  2.6 0.8 0.9 
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 assign (resid  63 and name HN  )(resid  63 and name HD* )  4.2 2.5 2.5 
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 assign (resid  65 and name HN  )(resid  75 and name HB  )  3.4 1.6 1.6 
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 assign (resid  68 and name HD* )(resid  68 and name HA  )  2.6 0.8 0.9 
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 assign (resid  71 and name HB2 )(resid  71 and name HE# )  3.1 1.3 1.4 
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 assign (resid  72 and name HN  )(resid  72 and name HA  )  2.6 0.8 0.9 
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 assign (resid  76 and name HN  )(resid  75 and name HG1#)  3.1 1.3 1.4 
 assign (resid  76 and name HN  )(resid  76 and name HA  )  3.4 1.6 1.6 
 assign (resid  77 and name HA  )(resid   4 and name HA  )  2.1 0.3 0.4
 assign (resid  77 and name HB1 )(resid  77 and name HA  )  2.6 0.8 0.9 
 assign (resid  77 and name HB1 )(resid  77 and name HD# )  2.6 0.8 0.9 
 assign (resid  77 and name HB2 )(resid  77 and name HD# )  2.6 0.8 0.9 
 assign (resid  77 and name HD# )(resid  77 and name HA  )  3.1 1.3 1.4 
 assign (resid  77 and name HE  )(resid  77 and name HD# )  3.1 1.3 1.4 
 assign (resid  77 and name HG# )(resid  77 and name HA  )  2.9 1.1 1.1 
 assign (resid  77 and name HG# )(resid  77 and name HD# )  3.1 1.3 1.4 
 assign (resid  77 and name HN  )(resid  60 and name HD# )  2.6 0.8 0.9 
 assign (resid  77 and name HN  )(resid  76 and name HA  )  2.6 0.8 0.9 
 assign (resid  77 and name HN  )(resid  76 and name HB1 )  2.6 0.8 0.9 
 assign (resid  77 and name HN  )(resid  76 and name HB2 )  2.1 0.3 0.4 
 assign (resid  77 and name HN  )(resid  77 and name HA  )  2.6 0.8 0.9 
 assign (resid  77 and name HN  )(resid  77 and name HB1 )  2.6 0.8 0.9 
 assign (resid  77 and name HN  )(resid  77 and name HB2 )  2.1 0.3 0.4 
 assign (resid  77 and name HN  )(resid  77 and name HG# )  3.1 1.3 1.4 
 assign (resid  78 and name HB# )(resid   5 and name HB1 )  3.1 1.3 1.4 
 assign (resid  78 and name HB# )(resid  78 and name HA  )  2.6 0.8 0.9 
 assign (resid  78 and name HN  )(resid   4 and name HA  )  2.1 0.3 0.4 
 assign (resid  78 and name HN  )(resid   4 and name HD* )  3.9 2.0 2.1 
 assign (resid  78 and name HN  )(resid  77 and name HA  )  2.1 0.3 0.4 
 assign (resid  78 and name HN  )(resid  77 and name HB2 )  3.4 1.6 1.6 
 assign (resid  78 and name HN  )(resid  77 and name HG# )  3.1 1.3 1.4 
 assign (resid  78 and name HN  )(resid  78 and name HA  )  2.6 0.8 0.9 
 assign (resid  78 and name HN  )(resid  78 and name HB# )  2.5 0.7 0.6 
 assign (resid  79 and name HB# )(resid  79 and name HA  )  2.6 0.8 0.9 
 assign (resid  79 and name HN  )(resid  78 and name HA  )  2.1 0.3 0.4 
 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 HB# )  2.9 1.1 1.1 
 assign (resid  80 and name HB  )(resid  80 and name HA  )  2.1 0.3 0.4 
 assign (resid  80 and name HG* )(resid  80 and name HA  )  2.5 0.7 0.6 
 assign (resid  80 and name HG* )(resid  80 and name HB  )  3.9 2.1 2.1 
 assign (resid  80 and name HN  )(resid  79 and name HA  )  2.1 0.3 0.4 
 assign (resid  80 and name HN  )(resid  79 and name HB# )  3.1 1.3 1.4 
 assign (resid  80 and name HN  )(resid  80 and name HA  )  2.6 0.8 0.9 
 assign (resid  80 and name HN  )(resid  80 and name HB  )  2.6 0.8 0.9 
 assign (resid  81 and name HN  )(resid  80 and name HA  )  2.6 0.8 0.9 
 assign (resid  81 and name HN  )(resid  81 and name HA# )  3.1 1.3 1.4 
 assign (resid  82 and name HB# )(resid  81 and name HA# )  3.6 1.8 1.9 
 assign (resid  82 and name HB# )(resid  82 and name HA  )  2.6 0.8 0.9 
 assign (resid  82 and name HN  )(resid  81 and name HA# )  3.1 1.3 1.4 
 assign (resid  82 and name HN  )(resid  82 and name HA  )  2.6 0.8 0.9 
 assign (resid  82 and name HN  )(resid  82 and name HB# )  2.9 1.1 1.1 
 assign (resid  83 and name HB# )(resid  83 and name HA  )  3.1 1.3 1.4 
 assign (resid  83 and name HG# )(resid  83 and name HE# )  3.6 1.8 1.9 
 assign (resid  83 and name HN  )(resid  82 and name HA  )  3.4 1.6 1.6 
 assign (resid  83 and name HN  )(resid  82 and name HB# )  3.1 1.3 1.4 
 assign (resid  83 and name HN  )(resid  83 and name HB# )  3.7 1.9 1.9 
 assign (resid  84 and name HB# )(resid  84 and name HA  )  2.6 0.8 0.9 
 assign (resid  85 and name HB# )(resid  85 and name HA  )  2.6 0.8 0.9 
 assign (resid  85 and name HN  )(resid  84 and name HA  )  2.6 0.8 0.9 
 assign (resid  85 and name HN  )(resid  84 and name HB# )  3.9 2.1 2.1 
 assign (resid  85 and name HN  )(resid  85 and name HB# )  2.9 1.1 1.1 
 assign (resid   4 and name O   )(resid  48 and name HN  )  2.0 0.2 0.2
 assign (resid   4 and name O   )(resid  48 and name N   )  2.5 0.7 0.8
 assign (resid   4 and name HN  )(resid  48 and name O   )  2.0 0.2 0.2
 assign (resid   4 and name N   )(resid  48 and name O   )  2.5 0.7 0.8
 assign (resid   6 and name O   )(resid  46 and name HN  )  2.0 0.2 0.2
 assign (resid   6 and name O   )(resid  46 and name N   )  2.5 0.7 0.8
 assign (resid   6 and name HN  )(resid  46 and name O   )  2.0 0.2 0.2
 assign (resid   6 and name N   )(resid  46 and name O   )  2.5 0.7 0.8
 assign (resid  32 and name O   )(resid  47 and name HN  )  2.0 0.2 0.2
 assign (resid  32 and name O   )(resid  47 and name N   )  2.5 0.7 0.8
 assign (resid  32 and name HN  )(resid  47 and name O   )  2.0 0.2 0.2
 assign (resid  32 and name N   )(resid  47 and name O   )  2.5 0.7 0.8
 assign (resid  34 and name O   )(resid  45 and name HN  )  2.0 0.2 0.2
 assign (resid  34 and name O   )(resid  45 and name N   )  2.5 0.7 0.8
 assign (resid  34 and name HN  )(resid  45 and name O   )  2.0 0.2 0.2
 assign (resid  34 and name N   )(resid  45 and name O   )  2.5 0.7 0.8
 assign (resid   7 and name O   )(resid  74 and name HN  )  2.0 0.2 0.2
 assign (resid   7 and name O   )(resid  74 and name N   )  2.5 0.7 0.8
 assign (resid   7 and name HN  )(resid  74 and name O   )  2.0 0.2 0.2
 assign (resid   7 and name N   )(resid  74 and name O   )  2.5 0.7 0.8
 assign (resid   5 and name HN  )(resid  76 and name O   )  2.0 0.2 0.2
 assign (resid   5 and name N   )(resid  76 and name O   )  2.5 0.7 0.8
 assign (resid  30 and name O   )(resid  49 and name HN  )  2.0 0.2 0.2
 assign (resid  30 and name O   )(resid  49 and name N   )  2.5 0.7 0.8
 assign (resid  30 and name HN  )(resid  49 and name O   )  2.0 0.2 0.2
 assign (resid  30 and name N   )(resid  49 and name O   )  2.5 0.7 0.8
 assign (resid   3 and name c )   (resid   4 and name n ) 
        (resid   4 and name ca)   (resid   4 and name c )  1.0 -120.0 40.0 2
 assign (resid   4 and name c )   (resid   5 and name n ) 
        (resid   5 and name ca)   (resid   5 and name c )  1.0 -120.0 40.0 2
 assign (resid   5 and name c )   (resid   6 and name n ) 
        (resid   6 and name ca)   (resid   6 and name c )  1.0 -120.0 40.0 2
 assign (resid  13 and name c )   (resid  14 and name n ) 
        (resid  14 and name ca)   (resid  14 and name c )  1.0 -120.0 40.0 2
 assign (resid  24 and name c )   (resid  25 and name n ) 
        (resid  25 and name ca)   (resid  25 and name c )  1.0 -120.0 40.0 2
 assign (resid  28 and name c )   (resid  29 and name n ) 
        (resid  29 and name ca)   (resid  29 and name c )  1.0 -120.0 40.0 2
 assign (resid  34 and name c )   (resid  35 and name n ) 
        (resid  35 and name ca)   (resid  35 and name c )  1.0 -120.0 40.0 2
 assign (resid  38 and name c )   (resid  39 and name n ) 
        (resid  39 and name ca)   (resid  39 and name c )  1.0 -120.0 40.0 2
 assign (resid  45 and name c )   (resid  46 and name n ) 
        (resid  46 and name ca)   (resid  46 and name c )  1.0 -120.0 40.0 2
 assign (resid  46 and name c )   (resid  47 and name n ) 
        (resid  47 and name ca)   (resid  47 and name c )  1.0 -120.0 40.0 2
 assign (resid  48 and name c )   (resid  49 and name n ) 
        (resid  49 and name ca)   (resid  49 and name c )  1.0 -120.0 40.0 2
 assign (resid  51 and name c )   (resid  52 and name n ) 
        (resid  52 and name ca)   (resid  52 and name c )  1.0 -120.0 40.0 2
 assign (resid  62 and name c )   (resid  63 and name n ) 
        (resid  63 and name ca)   (resid  63 and name c )  1.0 -120.0 40.0 2
 assign (resid  67 and name c )   (resid  68 and name n ) 
        (resid  68 and name ca)   (resid  68 and name c )  1.0 -120.0 40.0 2
 assign (resid  70 and name c )   (resid  71 and name n ) 
        (resid  71 and name ca)   (resid  71 and name c )  1.0 -120.0 40.0 2
 assign (resid  73 and name c )   (resid  74 and name n ) 
        (resid  74 and name ca)   (resid  74 and name c )  1.0 -120.0 40.0 2
 assign (resid  74 and name c )   (resid  75 and name n ) 
        (resid  75 and name ca)   (resid  75 and name c )  1.0 -120.0 40.0 2
 assign (resid   15 and name c )   (resid   16 and name n ) 
        (resid   16 and name ca)   (resid   16 and name c )  1.0 -65.0 25.0 2
 assign (resid   16 and name c )   (resid   17 and name n ) 
        (resid   17 and name ca)   (resid   17 and name c )  1.0 -65.0 25.0 2
 assign (resid   18 and name c )   (resid   19 and name n ) 
        (resid   19 and name ca)   (resid   19 and name c )  1.0 -65.0 25.0 2
 assign (resid   23 and name c )   (resid   24 and name n ) 
        (resid   24 and name ca)   (resid   24 and name c )  1.0 -65.0 25.0 2
 assign (resid   50 and name c )   (resid   51 and name n ) 
        (resid   51 and name ca)   (resid   51 and name c )  1.0 -65.0 25.0 2
 assign (resid   52 and name c )   (resid   53 and name n ) 
        (resid   53 and name ca)   (resid   53 and name c )  1.0 -65.0 25.0 2
 assign (resid   55 and name c )   (resid   56 and name n ) 
        (resid   56 and name ca)   (resid   56 and name c )  1.0 -65.0 25.0 2
 assign (resid   56 and name c )   (resid   57 and name n ) 
        (resid   57 and name ca)   (resid   57 and name c )  1.0 -65.0 25.0 2
 assign (resid   58 and name c )   (resid   59 and name n ) 
        (resid   59 and name ca)   (resid   59 and name c )  1.0 -65.0 25.0 2
 assign (resid   59 and name c )   (resid   60 and name n ) 
        (resid   60 and name ca)   (resid   60 and name c )  1.0 -65.0 25.0 2
 assign (resid   60 and name c )   (resid   61 and name n ) 
        (resid   61 and name ca)   (resid   61 and name c )  1.0 -65.0 25.0 2
 assign (resid   63 and name c )   (resid   64 and name n ) 
        (resid   64 and name ca)   (resid   64 and name c )  1.0 -65.0 25.0 2
 assign (resid   76 and name c )   (resid   77 and name n ) 
        (resid   77 and name ca)   (resid   77 and name c )  1.0 -65.0 25.0 2
 assign (resid   77 and name c )   (resid   78 and name n ) 
        (resid   78 and name ca)   (resid   78 and name c )  1.0 -65.0 25.0 2
 assign (resid 3 and name n)    (resid 3 and name ca)
        (resid 3 and name cb)   (resid 3 and name cg) 1.0 -60.0 20.0 2
 assign (resid 4 and name n)    (resid 4 and name ca)
        (resid 4 and name cb)   (resid 4 and name cg) 1.0 -60.0 20.0 2
 assign (resid 5 and name n)    (resid 5 and name ca)
        (resid 5 and name cb)   (resid 5 and name cg) 1.0 180.0 20.0 2
 assign (resid 6 and name n)    (resid 6 and name ca)
        (resid 6 and name cb)   (resid 6 and name cg1) 1.0 -60.0 20.0 2
 assign (resid 9 and name n)    (resid 9 and name ca)
        (resid 9 and name cb)   (resid 9 and name cg) 1.0 -60.0 20.0 2
 assign (resid 11 and name n)    (resid 11 and name ca)
        (resid 11 and name cb)   (resid 11 and name cg) 1.0  60.0 20.0 2
 assign (resid 12 and name n)    (resid 12 and name ca)
        (resid 12 and name cb)   (resid 12 and name cg) 1.0  60.0 20.0 2
 assign (resid 13 and name n)    (resid 13 and name ca)
        (resid 13 and name cb)   (resid 13 and name cg) 1.0 -60.0 20.0 2
 assign (resid 14 and name n)    (resid 14 and name ca)
        (resid 14 and name cb)   (resid 14 and name cg) 1.0  60.0 20.0 2
 assign (resid 15 and name n)    (resid 15 and name ca)
        (resid 15 and name cb)   (resid 15 and name cg) 1.0 180.0 20.0 2
 assign (resid 17 and name n)    (resid 17 and name ca)
        (resid 17 and name cb)   (resid 17 and name cg) 1.0 -60.0 20.0 2
 assign (resid 18 and name n)    (resid 18 and name ca)
        (resid 18 and name cb)   (resid 18 and name cg1) 1.0 180.0 20.0 2
 assign (resid 19 and name n)    (resid 19 and name ca)
        (resid 19 and name cb)   (resid 19 and name cg) 1.0 180.0 20.0 2
 assign (resid 21 and name n)    (resid 21 and name ca)
        (resid 21 and name cb)   (resid 21 and name cg) 1.0 -60.0 20.0 2
 assign (resid 22 and name n)    (resid 22 and name ca)
        (resid 22 and name cb)   (resid 22 and name cg) 1.0 -60.0 20.0 2
 assign (resid 25 and name n)    (resid 25 and name ca)
        (resid 25 and name cb)   (resid 25 and name cg) 1.0 -60.0 20.0 2
 assign (resid 28 and name n)    (resid 28 and name ca)
        (resid 28 and name cb)   (resid 28 and name cg) 1.0 -60.0 20.0 2
 assign (resid 29 and name n)    (resid 29 and name ca)
        (resid 29 and name cb)   (resid 29 and name cg) 1.0 180.0 20.0 2
 assign (resid 31 and name n)    (resid 31 and name ca)
        (resid 31 and name cb)   (resid 31 and name cg) 1.0 180.0 20.0 2
 assign (resid 32 and name n)    (resid 32 and name ca)
        (resid 32 and name cb)   (resid 32 and name cg) 1.0 180.0 20.0 2
 assign (resid 33 and name n)    (resid 33 and name ca)
        (resid 33 and name cb)   (resid 33 and name cg) 1.0 -60.0 20.0 2
 assign (resid 34 and name n)    (resid 34 and name ca)
        (resid 34 and name cb)   (resid 34 and name cg1) 1.0 180.0 20.0 2
 assign (resid 36 and name n)    (resid 36 and name ca)
        (resid 36 and name cb)   (resid 36 and name cg) 1.0 180.0 20.0 2
 assign (resid 43 and name n)    (resid 43 and name ca)
        (resid 43 and name cb)   (resid 43 and name cg) 1.0 -60.0 20.0 2
 assign (resid 45 and name n)    (resid 45 and name ca)
        (resid 45 and name cb)   (resid 45 and name cg) 1.0  60.0 20.0 2
 assign (resid 47 and name n)    (resid 47 and name ca)
        (resid 47 and name cb)   (resid 47 and name cg) 1.0 -60.0 20.0 2
 assign (resid 48 and name n)    (resid 48 and name ca)
        (resid 48 and name cb)   (resid 48 and name sg) 1.0  60.0 20.0 2
 assign (resid 49 and name n)    (resid 49 and name ca)
        (resid 49 and name cb)   (resid 49 and name cg) 1.0 -60.0 20.0 2
 assign (resid 50 and name n)    (resid 50 and name ca)
        (resid 50 and name cb)   (resid 50 and name cg) 1.0 -60.0 20.0 2
 assign (resid 51 and name n)    (resid 51 and name ca)
        (resid 51 and name cb)   (resid 51 and name cg1) 1.0 180.0 20.0 2
 assign (resid 52 and name n)    (resid 52 and name ca)
        (resid 52 and name cb)   (resid 52 and name cg) 1.0 180.0 20.0 2
 assign (resid 53 and name n)    (resid 53 and name ca)
        (resid 53 and name cb)   (resid 53 and name cg1) 1.0 -60.0 20.0 2
 assign (resid 54 and name n)    (resid 54 and name ca)
        (resid 54 and name cb)   (resid 54 and name cg) 1.0 180.0 20.0 2
 assign (resid 55 and name n)    (resid 55 and name ca)
        (resid 55 and name cb)   (resid 55 and name cg1) 1.0 180.0 20.0 2
 assign (resid 56 and name n)    (resid 56 and name ca)
        (resid 56 and name cb)   (resid 56 and name cg2) 1.0 180.0 20.0 2
 assign (resid 58 and name n)    (resid 58 and name ca)
        (resid 58 and name cb)   (resid 58 and name cg) 1.0 180.0 20.0 2
 assign (resid 60 and name n)    (resid 60 and name ca)
        (resid 60 and name cb)   (resid 60 and name cg1) 1.0 -60.0 20.0 2
 assign (resid 63 and name n)    (resid 63 and name ca)
        (resid 63 and name cb)   (resid 63 and name cg) 1.0 -60.0 20.0 2
 assign (resid 66 and name n)    (resid 66 and name ca)
        (resid 66 and name cb)   (resid 66 and name cg) 1.0 180.0 20.0 2
 assign (resid 67 and name n)    (resid 67 and name ca)
        (resid 67 and name cb)   (resid 67 and name cg) 1.0 180.0 20.0 2
 assign (resid 71 and name n)    (resid 71 and name ca)
        (resid 71 and name cb)   (resid 71 and name cg) 1.0 -60.0 20.0 2
 assign (resid 72 and name n)    (resid 72 and name ca)
        (resid 72 and name cb)   (resid 72 and name cg) 1.0 180.0 20.0 2
 assign (resid 73 and name n)    (resid 73 and name ca)
        (resid 73 and name cb)   (resid 73 and name cg) 1.0 -60.0 20.0 2
 assign (resid 74 and name n)    (resid 74 and name ca)
        (resid 74 and name cb)   (resid 74 and name cg) 1.0 -60.0 20.0 2
 assign (resid 75 and name n)    (resid 75 and name ca)
        (resid 75 and name cb)   (resid 75 and name cg1) 1.0 180.0 20.0 2
 assign (resid 76 and name n)    (resid 76 and name ca)
        (resid 76 and name cb)   (resid 76 and name cg) 1.0  60.0 20.0 2
 assign (resid 77 and name n)    (resid 77 and name ca)
        (resid 77 and name cb)   (resid 77 and name cg) 1.0 -60.0 20.0 2
 assign (resid 13 and name ca)   (resid 13 and name cb)
        (resid 13 and name cg)   (resid 13 and name cd1) 1.0 180.0 40.0 2
 assign (resid 28 and name ca)   (resid 28 and name cb)
        (resid 28 and name cg)   (resid 28 and name cd1) 1.0 180.0 40.0 2
  Entry H atom name         Submitted Coord H atom name
    1   1H    ALA   1          1H        ALA   1 -11.589   1.812   3.305
    2   2H    ALA   1          2H        ALA   1 -12.452   3.253   3.554
    3   3H    ALA   1          3H        ALA   1 -10.958   3.010   4.325
    4    HA   ALA   1           HA       ALA   1 -12.551   2.628   5.981
    5   1HB   ALA   1          1HB       ALA   1 -14.185   2.000   3.792
    6   2HB   ALA   1          2HB       ALA   1 -14.063   0.495   4.704
    7   3HB   ALA   1          3HB       ALA   1 -14.651   1.959   5.492
    8    H    HIS   2           H        HIS   2 -10.251   1.068   4.392
    9    HA   HIS   2           HA       HIS   2 -10.034  -1.021   6.457
   10   1HB   HIS   2          1HB       HIS   2 -10.702  -1.575   3.620
   11   2HB   HIS   2          2HB       HIS   2  -9.418  -2.568   4.311
   12    HD1  HIS   2           HD1      HIS   2 -10.196  -3.340   6.981
   13    HD2  HIS   2           HD2      HIS   2 -13.126  -2.798   4.065
   14    HE1  HIS   2           HE1      HIS   2 -12.241  -4.606   7.775
   15    H    LYS   3           H        LYS   3  -7.902  -2.436   5.470
   16    HA   LYS   3           HA       LYS   3  -5.828  -0.310   5.283
   17   1HB   LYS   3          1HB       LYS   3  -5.481  -3.268   5.861
   18   2HB   LYS   3          2HB       LYS   3  -4.261  -2.006   6.045
   19   1HG   LYS   3          1HG       LYS   3  -5.235  -1.147   7.957
   20   2HG   LYS   3          2HG       LYS   3  -6.856  -1.657   7.486
   21   1HD   LYS   3          1HD       LYS   3  -6.073  -3.022   9.362
   22   2HD   LYS   3          2HD       LYS   3  -6.212  -4.021   7.915
   23   1HE   LYS   3          1HE       LYS   3  -3.921  -4.230   7.668
   24   2HE   LYS   3          2HE       LYS   3  -3.591  -2.686   8.455
   25   1HZ   LYS   3          1HZ       LYS   3  -4.601  -5.104   9.851
   26   2HZ   LYS   3          2HZ       LYS   3  -2.972  -4.621   9.818
   27   3HZ   LYS   3          3HZ       LYS   3  -4.132  -3.638  10.570
   28    H    LEU   4           H        LEU   4  -5.007   0.090   3.291
   29    HA   LEU   4           HA       LEU   4  -5.488  -1.759   1.078
   30   1HB   LEU   4          1HB       LEU   4  -3.894   0.821   1.208
   31   2HB   LEU   4          2HB       LEU   4  -4.294  -0.053  -0.271
   32    HG   LEU   4           HG       LEU   4  -6.390   0.928   1.680
   33   1HD1  LEU   4          1HD1      LEU   4  -4.900   2.331  -0.468
   34   2HD1  LEU   4          2HD1      LEU   4  -6.652   2.538  -0.491
   35   3HD1  LEU   4          3HD1      LEU   4  -5.729   2.990   0.943
   36   1HD2  LEU   4          1HD2      LEU   4  -6.485  -0.881  -0.444
   37   2HD2  LEU   4          2HD2      LEU   4  -7.868  -0.059   0.280
   38   3HD2  LEU   4          3HD2      LEU   4  -7.080   0.627  -1.141
   39    H    PHE   5           H        PHE   5  -3.893  -2.927  -0.049
   40    HA   PHE   5           HA       PHE   5  -1.302  -3.246   1.415
   41   1HB   PHE   5          1HB       PHE   5  -2.375  -5.321   1.588
   42   2HB   PHE   5          2HB       PHE   5  -3.087  -5.198  -0.020
   43    HD1  PHE   5           HD1      PHE   5  -1.638  -5.452  -2.047
   44    HD2  PHE   5           HD2      PHE   5  -0.188  -6.242   1.918
   45    HE1  PHE   5           HE1      PHE   5   0.268  -6.720  -2.997
   46    HE2  PHE   5           HE2      PHE   5   1.720  -7.510   0.967
   47    HZ   PHE   5           HZ       PHE   5   1.947  -7.749  -1.492
   48    H    ILE   6           H        ILE   6   0.567  -2.937   0.263
   49    HA   ILE   6           HA       ILE   6   0.279  -2.461  -2.679
   50    HB   ILE   6           HB       ILE   6   2.112  -1.193  -0.632
   51   1HG1  ILE   6          1HG1      ILE   6   1.094   0.871  -1.868
   52   2HG1  ILE   6          2HG1      ILE   6  -0.123  -0.275  -2.432
   53   1HG2  ILE   6          1HG2      ILE   6   3.399  -1.782  -2.670
   54   2HG2  ILE   6          2HG2      ILE   6   2.202  -0.943  -3.657
   55   3HG2  ILE   6          3HG2      ILE   6   3.196  -0.037  -2.516
   56   1HD1  ILE   6          1HD1      ILE   6   0.604   0.136   0.482
   57   2HD1  ILE   6          2HD1      ILE   6  -0.778   0.891  -0.312
   58   3HD1  ILE   6          3HD1      ILE   6  -0.706  -0.863  -0.147
   59    H    GLY   7           H        GLY   7   0.763  -4.641  -3.252
   60   1HA   GLY   7          1HA       GLY   7   3.392  -5.703  -2.358
   61   2HA   GLY   7          2HA       GLY   7   2.142  -6.634  -3.183
   62    H    GLY   8           H        GLY   8   3.914  -3.610  -3.880
   63   1HA   GLY   8          1HA       GLY   8   4.993  -4.799  -6.353
   64   2HA   GLY   8          2HA       GLY   8   3.882  -3.444  -6.573
   65    H    LEU   9           H        LEU   9   5.771  -3.441  -3.699
   66    HA   LEU   9           HA       LEU   9   7.041  -0.949  -4.435
   67   1HB   LEU   9          1HB       LEU   9   7.582  -2.806  -2.099
   68   2HB   LEU   9          2HB       LEU   9   8.167  -1.148  -2.246
   69    HG   LEU   9           HG       LEU   9   5.235  -1.906  -2.316
   70   1HD1  LEU   9          1HD1      LEU   9   7.109  -1.417  -0.072
   71   2HD1  LEU   9          2HD1      LEU   9   5.575  -0.552   0.015
   72   3HD1  LEU   9          3HD1      LEU   9   5.589  -2.312  -0.096
   73   1HD2  LEU   9          1HD2      LEU   9   6.820   0.611  -2.514
   74   2HD2  LEU   9          2HD2      LEU   9   5.278   0.192  -3.262
   75   3HD2  LEU   9          3HD2      LEU   9   5.333   0.681  -1.568
   76    HA   PRO  10           HA       PRO  10  10.703  -2.515  -6.260
   77   1HB   PRO  10          1HB       PRO  10  12.296  -0.314  -5.843
   78   2HB   PRO  10          2HB       PRO  10  11.015  -0.379  -7.066
   79   1HG   PRO  10          1HG       PRO  10  11.032   1.036  -4.441
   80   2HG   PRO  10          2HG       PRO  10  10.132   1.422  -5.917
   81   1HD   PRO  10          1HD       PRO  10   9.078   0.143  -3.622
   82   2HD   PRO  10          2HD       PRO  10   8.300   0.230  -5.217
   83    H    ASN  11           H        ASN  11  12.389  -0.461  -3.983
   84    HA   ASN  11           HA       ASN  11  12.849  -2.255  -1.852
   85   1HB   ASN  11          1HB       ASN  11  15.079  -3.172  -2.470
   86   2HB   ASN  11          2HB       ASN  11  13.797  -3.778  -3.519
   87   1HD2  ASN  11          2HD2      ASN  11  13.598  -2.726  -5.701
   88   2HD2  ASN  11          1HD2      ASN  11  14.963  -2.004  -6.402
   89    H    TYR  12           H        TYR  12  14.098   0.269  -3.946
   90    HA   TYR  12           HA       TYR  12  16.024   1.208  -1.941
   91   1HB   TYR  12          1HB       TYR  12  16.251   3.139  -3.582
   92   2HB   TYR  12          2HB       TYR  12  16.667   1.550  -4.215
   93    HD1  TYR  12           HD1      TYR  12  13.802   3.921  -3.906
   94    HD2  TYR  12           HD2      TYR  12  15.640   0.753  -6.138
   95    HE1  TYR  12           HE1      TYR  12  12.092   4.179  -5.672
   96    HE2  TYR  12           HE2      TYR  12  13.934   1.003  -7.909
   97    HH   TYR  12           HH       TYR  12  12.380   3.068  -8.690
   98    H    LEU  13           H        LEU  13  12.907   1.190  -1.599
   99    HA   LEU  13           HA       LEU  13  12.526   4.086  -1.047
  100   1HB   LEU  13          1HB       LEU  13  10.565   1.774  -0.919
  101   2HB   LEU  13          2HB       LEU  13  10.160   3.472  -0.664
  102    HG   LEU  13           HG       LEU  13  11.396   2.377  -3.205
  103   1HD1  LEU  13          1HD1      LEU  13   8.964   1.683  -2.565
  104   2HD1  LEU  13          2HD1      LEU  13   8.567   3.367  -2.909
  105   3HD1  LEU  13          3HD1      LEU  13   9.254   2.347  -4.173
  106   1HD2  LEU  13          1HD2      LEU  13  11.348   4.961  -2.203
  107   2HD2  LEU  13          2HD2      LEU  13  11.528   4.531  -3.904
  108   3HD2  LEU  13          3HD2      LEU  13   9.934   4.921  -3.256
  109    H    ASN  14           H        ASN  14  11.404   4.580   1.096
  110    HA   ASN  14           HA       ASN  14  12.338   2.729   3.243
  111   1HB   ASN  14          1HB       ASN  14  12.780   4.947   4.547
  112   2HB   ASN  14          2HB       ASN  14  13.974   4.406   3.369
  113   1HD2  ASN  14          2HD2      ASN  14  14.665   6.649   2.973
  114   2HD2  ASN  14          1HD2      ASN  14  13.693   7.710   2.072
  115    H    ASP  15           H        ASP  15  11.039   5.769   4.221
  116    HA   ASP  15           HA       ASP  15   8.383   4.469   4.659
  117   1HB   ASP  15          1HB       ASP  15   9.783   4.752   6.740
  118   2HB   ASP  15          2HB       ASP  15   9.719   6.495   6.471
  119    H    ASP  16           H        ASP  16  10.120   7.523   4.194
  120    HA   ASP  16           HA       ASP  16   7.641   9.018   3.750
  121   1HB   ASP  16          1HB       ASP  16  10.569   9.639   3.714
  122   2HB   ASP  16          2HB       ASP  16   9.479  10.725   2.853
  123    H    GLN  17           H        GLN  17   9.788   7.113   1.838
  124    HA   GLN  17           HA       GLN  17   9.001   8.389  -0.691
  125   1HB   GLN  17          1HB       GLN  17  10.666   5.960  -0.001
  126   2HB   GLN  17          2HB       GLN  17  10.243   6.366  -1.665
  127   1HG   GLN  17          1HG       GLN  17  11.310   8.555  -1.437
  128   2HG   GLN  17          2HG       GLN  17  11.667   8.227   0.259
  129   1HE2  GLN  17          2HE2      GLN  17  12.769   5.784   0.379
  130   2HE2  GLN  17          1HE2      GLN  17  14.100   5.619  -0.660
  131    H    VAL  18           H        VAL  18   8.522   5.215   0.858
  132    HA   VAL  18           HA       VAL  18   6.581   4.319  -1.073
  133    HB   VAL  18           HB       VAL  18   7.007   3.453   1.807
  134   1HG1  VAL  18          1HG1      VAL  18   4.940   2.822  -0.030
  135   2HG1  VAL  18          2HG1      VAL  18   6.005   1.418   0.031
  136   3HG1  VAL  18          3HG1      VAL  18   5.280   2.039   1.514
  137   1HG2  VAL  18          1HG2      VAL  18   8.255   2.708  -0.822
  138   2HG2  VAL  18          2HG2      VAL  18   9.023   2.940   0.749
  139   3HG2  VAL  18          3HG2      VAL  18   8.090   1.477   0.430
  140    H    LYS  19           H        LYS  19   6.465   6.490   1.596
  141    HA   LYS  19           HA       LYS  19   3.562   6.247   1.988
  142   1HB   LYS  19          1HB       LYS  19   4.890   6.844   3.926
  143   2HB   LYS  19          2HB       LYS  19   5.626   8.194   3.062
  144   1HG   LYS  19          1HG       LYS  19   3.705   9.492   3.168
  145   2HG   LYS  19          2HG       LYS  19   2.640   8.091   3.289
  146   1HD   LYS  19          1HD       LYS  19   3.009   7.832   5.567
  147   2HD   LYS  19          2HD       LYS  19   4.590   8.612   5.504
  148   1HE   LYS  19          1HE       LYS  19   3.026  10.677   4.713
  149   2HE   LYS  19          2HE       LYS  19   1.893   9.824   5.761
  150   1HZ   LYS  19          1HZ       LYS  19   4.646  10.632   6.527
  151   2HZ   LYS  19          2HZ       LYS  19   3.228  11.457   6.969
  152   3HZ   LYS  19          3HZ       LYS  19   3.507   9.878   7.532
  153    H    GLU  20           H        GLU  20   5.804   8.754   0.750
  154    HA   GLU  20           HA       GLU  20   3.852  10.602  -0.116
  155   1HB   GLU  20          1HB       GLU  20   6.147  11.275  -0.176
  156   2HB   GLU  20          2HB       GLU  20   6.586   9.923  -1.221
  157   1HG   GLU  20          1HG       GLU  20   5.914  11.003  -3.100
  158   2HG   GLU  20          2HG       GLU  20   4.461  11.636  -2.323
  159    H    LEU  21           H        LEU  21   4.595   7.472  -1.338
  160    HA   LEU  21           HA       LEU  21   3.546   7.935  -4.025
  161   1HB   LEU  21          1HB       LEU  21   4.111   5.371  -2.500
  162   2HB   LEU  21          2HB       LEU  21   3.671   5.450  -4.206
  163    HG   LEU  21           HG       LEU  21   6.012   7.022  -3.145
  164   1HD1  LEU  21          1HD1      LEU  21   5.769   4.131  -3.328
  165   2HD1  LEU  21          2HD1      LEU  21   7.014   4.735  -4.422
  166   3HD1  LEU  21          3HD1      LEU  21   7.102   5.099  -2.698
  167   1HD2  LEU  21          1HD2      LEU  21   4.934   6.135  -5.796
  168   2HD2  LEU  21          2HD2      LEU  21   5.589   7.703  -5.324
  169   3HD2  LEU  21          3HD2      LEU  21   6.676   6.348  -5.629
  170    H    LEU  22           H        LEU  22   2.389   6.295  -1.072
  171    HA   LEU  22           HA       LEU  22  -0.300   6.009  -2.239
  172   1HB   LEU  22          1HB       LEU  22   0.722   5.377   0.549
  173   2HB   LEU  22          2HB       LEU  22  -0.860   4.932  -0.090
  174    HG   LEU  22           HG       LEU  22   1.688   4.109  -1.479
  175   1HD1  LEU  22          1HD1      LEU  22   0.202   2.703   0.756
  176   2HD1  LEU  22          2HD1      LEU  22   1.355   1.895  -0.307
  177   3HD1  LEU  22          3HD1      LEU  22   1.894   3.202   0.748
  178   1HD2  LEU  22          1HD2      LEU  22  -1.167   3.765  -1.878
  179   2HD2  LEU  22          2HD2      LEU  22   0.163   3.346  -2.958
  180   3HD2  LEU  22          3HD2      LEU  22  -0.366   2.201  -1.725
  181    H    THR  23           H        THR  23   1.242   8.621  -1.246
  182    HA   THR  23           HA       THR  23  -1.045   9.669   0.369
  183    HB   THR  23           HB       THR  23   1.686   9.804   0.880
  184    HG1  THR  23           HG1      THR  23   0.297  10.141   2.500
  185   1HG2  THR  23          1HG2      THR  23   1.752  11.503  -1.018
  186   2HG2  THR  23          2HG2      THR  23   0.775  12.552   0.010
  187   3HG2  THR  23          3HG2      THR  23   2.386  12.061   0.531
  188    H    SER  24           H        SER  24  -0.050   9.552  -2.745
  189    HA   SER  24           HA       SER  24  -0.241  12.320  -3.550
  190   1HB   SER  24          1HB       SER  24   0.387   9.900  -4.805
  191   2HB   SER  24          2HB       SER  24  -1.106  10.418  -5.583
  192    HG   SER  24           HG       SER  24   0.399  11.507  -6.680
  193    H    PHE  25           H        PHE  25  -2.549   9.838  -2.792
  194    HA   PHE  25           HA       PHE  25  -4.775  11.275  -4.080
  195   1HB   PHE  25          1HB       PHE  25  -4.560   8.722  -2.480
  196   2HB   PHE  25          2HB       PHE  25  -6.107   9.407  -2.965
  197    HD1  PHE  25           HD1      PHE  25  -6.729   9.582  -5.349
  198    HD2  PHE  25           HD2      PHE  25  -3.049   7.751  -4.105
  199    HE1  PHE  25           HE1      PHE  25  -6.464   8.583  -7.603
  200    HE2  PHE  25           HE2      PHE  25  -2.782   6.753  -6.359
  201    HZ   PHE  25           HZ       PHE  25  -4.490   7.168  -8.108
  202    H    GLY  26           H        GLY  26  -3.307  10.902  -0.926
  203   1HA   GLY  26          1HA       GLY  26  -4.402  13.194   0.220
  204   2HA   GLY  26          2HA       GLY  26  -5.560  11.915   0.587
  205    HA   PRO  27           HA       PRO  27  -2.173  11.825   3.755
  206   1HB   PRO  27          1HB       PRO  27  -3.806  12.381   5.898
  207   2HB   PRO  27          2HB       PRO  27  -2.968  13.627   4.956
  208   1HG   PRO  27          1HG       PRO  27  -5.856  12.882   4.932
  209   2HG   PRO  27          2HG       PRO  27  -5.094  14.431   4.538
  210   1HD   PRO  27          1HD       PRO  27  -6.045  12.530   2.668
  211   2HD   PRO  27          2HD       PRO  27  -4.992  13.915   2.306
  212    H    LEU  28           H        LEU  28  -1.804   9.978   5.062
  213    HA   LEU  28           HA       LEU  28  -3.960   7.920   4.974
  214   1HB   LEU  28          1HB       LEU  28  -1.036   7.486   5.612
  215   2HB   LEU  28          2HB       LEU  28  -2.238   6.271   5.180
  216    HG   LEU  28           HG       LEU  28  -1.951   8.424   3.190
  217   1HD1  LEU  28          1HD1      LEU  28   0.424   7.905   4.188
  218   2HD1  LEU  28          2HD1      LEU  28   0.267   6.394   3.293
  219   3HD1  LEU  28          3HD1      LEU  28   0.212   7.936   2.438
  220   1HD2  LEU  28          1HD2      LEU  28  -3.262   6.281   2.947
  221   2HD2  LEU  28          2HD2      LEU  28  -2.075   6.535   1.667
  222   3HD2  LEU  28          3HD2      LEU  28  -1.732   5.404   2.977
  223    H    LYS  29           H        LYS  29  -4.851   7.178   6.861
  224    HA   LYS  29           HA       LYS  29  -4.108   8.504   9.359
  225   1HB   LYS  29          1HB       LYS  29  -6.463   8.034   8.969
  226   2HB   LYS  29          2HB       LYS  29  -6.119   6.321   8.723
  227   1HG   LYS  29          1HG       LYS  29  -5.665   5.950  10.988
  228   2HG   LYS  29          2HG       LYS  29  -5.316   7.652  11.297
  229   1HD   LYS  29          1HD       LYS  29  -7.759   8.133  10.801
  230   2HD   LYS  29          2HD       LYS  29  -8.024   6.389  10.810
  231   1HE   LYS  29          1HE       LYS  29  -6.752   6.534  13.129
  232   2HE   LYS  29          2HE       LYS  29  -7.306   8.208  13.080
  233   1HZ   LYS  29          1HZ       LYS  29  -9.563   7.176  12.508
  234   2HZ   LYS  29          2HZ       LYS  29  -8.908   5.732  13.119
  235   3HZ   LYS  29          3HZ       LYS  29  -9.031   7.096  14.120
  236    H    ALA  30           H        ALA  30  -3.163   5.701   7.645
  237    HA   ALA  30           HA       ALA  30  -1.501   4.871   9.954
  238   1HB   ALA  30          1HB       ALA  30  -3.661   3.193   8.719
  239   2HB   ALA  30          2HB       ALA  30  -2.200   2.413   9.316
  240   3HB   ALA  30          3HB       ALA  30  -3.209   3.353  10.414
  241    H    PHE  31           H        PHE  31   0.282   3.476   9.279
  242    HA   PHE  31           HA       PHE  31   0.646   2.962   6.418
  243   1HB   PHE  31          1HB       PHE  31   1.284   5.366   6.670
  244   2HB   PHE  31          2HB       PHE  31   2.503   4.884   7.849
  245    HD1  PHE  31           HD1      PHE  31   1.452   3.197   4.684
  246    HD2  PHE  31           HD2      PHE  31   4.572   5.257   6.797
  247    HE1  PHE  31           HE1      PHE  31   3.036   2.683   2.844
  248    HE2  PHE  31           HE2      PHE  31   6.158   4.743   4.959
  249    HZ   PHE  31           HZ       PHE  31   5.389   3.457   2.982
  250    H    ASN  32           H        ASN  32   2.381   1.496   6.049
  251    HA   ASN  32           HA       ASN  32   4.204   0.732   8.183
  252   1HB   ASN  32          1HB       ASN  32   2.239  -0.416   9.034
  253   2HB   ASN  32          2HB       ASN  32   1.905  -1.104   7.445
  254   1HD2  ASN  32          2HD2      ASN  32   2.611  -3.226   7.257
  255   2HD2  ASN  32          1HD2      ASN  32   3.940  -3.891   8.075
  256    H    LEU  33           H        LEU  33   5.569  -1.181   7.423
  257    HA   LEU  33           HA       LEU  33   5.489  -1.489   4.458
  258   1HB   LEU  33          1HB       LEU  33   7.979  -0.889   6.086
  259   2HB   LEU  33          2HB       LEU  33   7.929  -1.191   4.349
  260    HG   LEU  33           HG       LEU  33   6.027   0.870   5.114
  261   1HD1  LEU  33          1HD1      LEU  33   8.297   0.932   6.687
  262   2HD1  LEU  33          2HD1      LEU  33   8.731   1.992   5.346
  263   3HD1  LEU  33          3HD1      LEU  33   7.290   2.328   6.305
  264   1HD2  LEU  33          1HD2      LEU  33   8.477   0.855   3.321
  265   2HD2  LEU  33          2HD2      LEU  33   6.840   0.432   2.821
  266   3HD2  LEU  33          3HD2      LEU  33   7.211   2.083   3.315
  267    H    VAL  34           H        VAL  34   6.542  -3.458   3.715
  268    HA   VAL  34           HA       VAL  34   7.112  -5.413   5.892
  269    HB   VAL  34           HB       VAL  34   5.635  -6.236   3.402
  270   1HG1  VAL  34          1HG1      VAL  34   6.396  -7.390   6.036
  271   2HG1  VAL  34          2HG1      VAL  34   4.810  -7.839   5.409
  272   3HG1  VAL  34          3HG1      VAL  34   6.259  -8.174   4.462
  273   1HG2  VAL  34          1HG2      VAL  34   4.651  -4.570   5.568
  274   2HG2  VAL  34          2HG2      VAL  34   3.818  -5.092   4.105
  275   3HG2  VAL  34          3HG2      VAL  34   3.809  -6.116   5.540
  276    H    LYS  35           H        LYS  35   9.210  -5.847   5.628
  277    HA   LYS  35           HA       LYS  35  10.165  -7.080   3.160
  278   1HB   LYS  35          1HB       LYS  35  12.158  -5.396   3.135
  279   2HB   LYS  35          2HB       LYS  35  10.635  -4.896   2.398
  280   1HG   LYS  35          1HG       LYS  35  10.021  -3.891   4.662
  281   2HG   LYS  35          2HG       LYS  35  11.702  -4.152   5.128
  282   1HD   LYS  35          1HD       LYS  35  12.318  -2.876   2.980
  283   2HD   LYS  35          2HD       LYS  35  10.628  -2.371   2.939
  284   1HE   LYS  35          1HE       LYS  35  10.839  -1.027   4.791
  285   2HE   LYS  35          2HE       LYS  35  12.056  -2.064   5.534
  286   1HZ   LYS  35          1HZ       LYS  35  13.434  -1.250   3.464
  287   2HZ   LYS  35          2HZ       LYS  35  12.381   0.079   3.573
  288   3HZ   LYS  35          3HZ       LYS  35  13.363  -0.341   4.895
  289    H    ASP  36           H        ASP  36  11.796  -8.547   3.712
  290    HA   ASP  36           HA       ASP  36  12.273  -9.288   6.356
  291   1HB   ASP  36          1HB       ASP  36  13.000 -10.447   4.132
  292   2HB   ASP  36          2HB       ASP  36  14.483  -9.511   4.323
  293    H    SER  37           H        SER  37  14.812  -7.653   4.435
  294    HA   SER  37           HA       SER  37  16.544  -6.240   5.177
  295   1HB   SER  37          1HB       SER  37  14.235  -5.147   6.813
  296   2HB   SER  37          2HB       SER  37  15.752  -4.307   6.501
  297    HG   SER  37           HG       SER  37  14.060  -5.291   4.450
  298    H    ALA  38           H        ALA  38  15.938  -8.759   6.744
  299    HA   ALA  38           HA       ALA  38  17.373  -7.939   9.232
  300   1HB   ALA  38          1HB       ALA  38  14.775  -9.258   8.959
  301   2HB   ALA  38          2HB       ALA  38  15.901 -10.179   9.957
  302   3HB   ALA  38          3HB       ALA  38  15.509  -8.511  10.378
  303    H    THR  39           H        THR  39  16.658 -10.505   6.885
  304    HA   THR  39           HA       THR  39  19.185 -11.849   7.766
  305    HB   THR  39           HB       THR  39  17.002 -13.301   6.294
  306    HG1  THR  39           HG1      THR  39  15.831 -12.651   7.968
  307   1HG2  THR  39          1HG2      THR  39  19.521 -13.990   7.190
  308   2HG2  THR  39          2HG2      THR  39  18.477 -14.589   8.479
  309   3HG2  THR  39          3HG2      THR  39  18.228 -15.130   6.819
  310    H    GLY  40           H        GLY  40  17.558 -10.255   5.228
  311   1HA   GLY  40          1HA       GLY  40  19.112  -9.601   3.346
  312   2HA   GLY  40          2HA       GLY  40  19.571 -11.303   3.276
  313    H    LEU  41           H        LEU  41  16.268 -10.862   3.972
  314    HA   LEU  41           HA       LEU  41  15.597 -11.659   1.183
  315   1HB   LEU  41          1HB       LEU  41  14.624 -12.417   3.797
  316   2HB   LEU  41          2HB       LEU  41  13.297 -11.789   2.819
  317    HG   LEU  41           HG       LEU  41  15.091 -13.553   1.314
  318   1HD1  LEU  41          1HD1      LEU  41  13.663 -14.554   3.784
  319   2HD1  LEU  41          2HD1      LEU  41  14.055 -15.617   2.432
  320   3HD1  LEU  41          3HD1      LEU  41  15.345 -14.809   3.322
  321   1HD2  LEU  41          1HD2      LEU  41  12.127 -13.263   1.819
  322   2HD2  LEU  41          2HD2      LEU  41  13.019 -12.969   0.326
  323   3HD2  LEU  41          3HD2      LEU  41  12.769 -14.620   0.893
  324    H    SER  42           H        SER  42  13.255 -10.806   0.599
  325    HA   SER  42           HA       SER  42  12.798  -8.050   1.551
  326   1HB   SER  42          1HB       SER  42  13.013  -7.037  -0.638
  327   2HB   SER  42          2HB       SER  42  14.511  -7.894  -0.286
  328    HG   SER  42           HG       SER  42  13.121  -9.700  -1.394
  329    H    LYS  43           H        LYS  43  10.732  -8.827   2.214
  330    HA   LYS  43           HA       LYS  43   8.906 -10.404   0.850
  331   1HB   LYS  43          1HB       LYS  43   8.318  -7.837   2.360
  332   2HB   LYS  43          2HB       LYS  43   7.120  -9.060   1.943
  333   1HG   LYS  43          1HG       LYS  43   9.571  -9.976   3.373
  334   2HG   LYS  43          2HG       LYS  43   8.374  -9.077   4.306
  335   1HD   LYS  43          1HD       LYS  43   6.680 -10.668   3.893
  336   2HD   LYS  43          2HD       LYS  43   7.554 -11.375   2.534
  337   1HE   LYS  43          1HE       LYS  43   9.361 -12.021   4.242
  338   2HE   LYS  43          2HE       LYS  43   8.167 -11.634   5.481
  339   1HZ   LYS  43          1HZ       LYS  43   7.362 -13.383   3.275
  340   2HZ   LYS  43          2HZ       LYS  43   8.358 -14.034   4.488
  341   3HZ   LYS  43          3HZ       LYS  43   6.845 -13.374   4.890
  342    H    GLY  44           H        GLY  44   9.031  -6.835   0.577
  343   1HA   GLY  44          1HA       GLY  44   9.025  -5.652  -1.521
  344   2HA   GLY  44          2HA       GLY  44   8.434  -7.112  -2.311
  345    H    TYR  45           H        TYR  45   6.992  -5.789   0.664
  346    HA   TYR  45           HA       TYR  45   4.876  -4.458  -0.853
  347   1HB   TYR  45          1HB       TYR  45   3.035  -5.880  -0.216
  348   2HB   TYR  45          2HB       TYR  45   4.236  -6.872  -1.037
  349    HD1  TYR  45           HD1      TYR  45   3.030  -5.843   2.346
  350    HD2  TYR  45           HD2      TYR  45   5.202  -8.741   0.036
  351    HE1  TYR  45           HE1      TYR  45   3.136  -7.341   4.320
  352    HE2  TYR  45           HE2      TYR  45   5.306 -10.237   2.010
  353    HH   TYR  45           HH       TYR  45   4.039 -10.602   4.106
  354    H    ALA  46           H        ALA  46   3.216  -3.517   0.625
  355    HA   ALA  46           HA       ALA  46   4.082  -3.344   3.463
  356   1HB   ALA  46          1HB       ALA  46   4.029  -1.074   1.479
  357   2HB   ALA  46          2HB       ALA  46   3.817  -0.777   3.204
  358   3HB   ALA  46          3HB       ALA  46   5.306  -1.514   2.612
  359    H    PHE  47           H        PHE  47   2.439  -1.372   4.347
  360    HA   PHE  47           HA       PHE  47  -0.289  -1.949   3.313
  361   1HB   PHE  47          1HB       PHE  47   0.671  -2.370   6.150
  362   2HB   PHE  47          2HB       PHE  47  -1.031  -2.173   5.741
  363    HD1  PHE  47           HD1      PHE  47  -2.046  -3.756   3.990
  364    HD2  PHE  47           HD2      PHE  47   1.735  -4.461   5.902
  365    HE1  PHE  47           HE1      PHE  47  -2.174  -6.151   3.360
  366    HE2  PHE  47           HE2      PHE  47   1.606  -6.856   5.273
  367    HZ   PHE  47           HZ       PHE  47  -0.347  -7.701   4.002
  368    H    CYS  48           H        CYS  48  -1.871  -0.328   4.104
  369    HA   CYS  48           HA       CYS  48  -0.919   1.992   5.588
  370   1HB   CYS  48          1HB       CYS  48  -1.034   3.622   3.794
  371   2HB   CYS  48          2HB       CYS  48   0.105   2.362   3.324
  372    HG   CYS  48           HG       CYS  48  -2.788   2.629   2.173
  373    H    GLU  49           H        GLU  49  -2.680   3.795   5.387
  374    HA   GLU  49           HA       GLU  49  -5.352   2.795   4.681
  375   1HB   GLU  49          1HB       GLU  49  -4.955   3.705   7.522
  376   2HB   GLU  49          2HB       GLU  49  -6.284   2.771   6.835
  377   1HG   GLU  49          1HG       GLU  49  -4.757   0.857   6.482
  378   2HG   GLU  49          2HG       GLU  49  -3.440   1.782   7.203
  379    H    TYR  50           H        TYR  50  -6.803   4.502   4.389
  380    HA   TYR  50           HA       TYR  50  -5.589   7.216   4.498
  381   1HB   TYR  50          1HB       TYR  50  -7.910   6.030   2.975
  382   2HB   TYR  50          2HB       TYR  50  -7.652   7.770   3.078
  383    HD1  TYR  50           HD1      TYR  50  -4.915   8.288   2.815
  384    HD2  TYR  50           HD2      TYR  50  -7.168   5.133   0.963
  385    HE1  TYR  50           HE1      TYR  50  -3.238   8.164   0.992
  386    HE2  TYR  50           HE2      TYR  50  -5.491   5.008  -0.862
  387    HH   TYR  50           HH       TYR  50  -3.140   7.409  -1.358
  388    H    VAL  51           H        VAL  51  -7.212   9.008   5.053
  389    HA   VAL  51           HA       VAL  51  -8.511   8.333   7.595
  390    HB   VAL  51           HB       VAL  51  -8.439  10.945   6.047
  391   1HG1  VAL  51          1HG1      VAL  51 -10.142  10.233   8.091
  392   2HG1  VAL  51          2HG1      VAL  51  -8.801  10.969   8.969
  393   3HG1  VAL  51          3HG1      VAL  51  -9.649  11.886   7.724
  394   1HG2  VAL  51          1HG2      VAL  51  -6.276   9.742   7.068
  395   2HG2  VAL  51          2HG2      VAL  51  -6.497  11.488   7.175
  396   3HG2  VAL  51          3HG2      VAL  51  -6.889  10.464   8.556
  397    H    ASP  52           H        ASP  52  -9.431   9.203   4.305
  398    HA   ASP  52           HA       ASP  52 -12.307   8.940   4.997
  399   1HB   ASP  52          1HB       ASP  52 -11.257  10.819   3.515
  400   2HB   ASP  52          2HB       ASP  52 -11.217   9.579   2.263
  401    H    ILE  53           H        ILE  53 -13.629   7.582   3.426
  402    HA   ILE  53           HA       ILE  53 -12.222   5.019   2.979
  403    HB   ILE  53           HB       ILE  53 -15.141   5.815   2.775
  404   1HG1  ILE  53          1HG1      ILE  53 -15.271   4.188   4.728
  405   2HG1  ILE  53          2HG1      ILE  53 -13.507   4.217   4.764
  406   1HG2  ILE  53          1HG2      ILE  53 -13.670   3.326   2.012
  407   2HG2  ILE  53          2HG2      ILE  53 -15.250   3.153   2.776
  408   3HG2  ILE  53          3HG2      ILE  53 -15.092   4.058   1.271
  409   1HD1  ILE  53          1HD1      ILE  53 -15.099   6.776   4.825
  410   2HD1  ILE  53          2HD1      ILE  53 -14.773   5.875   6.305
  411   3HD1  ILE  53          3HD1      ILE  53 -13.436   6.503   5.342
  412    H    ASN  54           H        ASN  54 -14.316   7.215   1.065
  413    HA   ASN  54           HA       ASN  54 -14.063   5.986  -1.432
  414   1HB   ASN  54          1HB       ASN  54 -15.504   7.911  -1.150
  415   2HB   ASN  54          2HB       ASN  54 -14.128   8.939  -0.753
  416   1HD2  ASN  54          2HD2      ASN  54 -13.770  10.299  -2.514
  417   2HD2  ASN  54          1HD2      ASN  54 -13.765   9.805  -4.137
  418    H    VAL  55           H        VAL  55 -11.820   8.290   0.103
  419    HA   VAL  55           HA       VAL  55  -9.966   8.683  -1.930
  420    HB   VAL  55           HB       VAL  55  -9.489   8.201   1.021
  421   1HG1  VAL  55          1HG1      VAL  55  -7.585   8.228  -1.079
  422   2HG1  VAL  55          2HG1      VAL  55  -7.459   9.787  -0.265
  423   3HG1  VAL  55          3HG1      VAL  55  -7.272   8.294   0.655
  424   1HG2  VAL  55          1HG2      VAL  55 -10.880  10.165   0.395
  425   2HG2  VAL  55          2HG2      VAL  55  -9.336  10.649   1.096
  426   3HG2  VAL  55          3HG2      VAL  55  -9.577  10.734  -0.649
  427    H    THR  56           H        THR  56 -10.155   5.886   0.274
  428    HA   THR  56           HA       THR  56  -7.874   4.501  -0.676
  429    HB   THR  56           HB       THR  56 -10.458   3.627   0.584
  430    HG1  THR  56           HG1      THR  56  -8.413   2.825   1.915
  431   1HG2  THR  56          1HG2      THR  56  -8.421   1.957  -0.804
  432   2HG2  THR  56          2HG2      THR  56  -8.993   1.381   0.762
  433   3HG2  THR  56          3HG2      THR  56 -10.140   1.653  -0.550
  434    H    ASP  57           H        ASP  57 -11.287   4.134  -1.722
  435    HA   ASP  57           HA       ASP  57 -10.749   2.276  -3.810
  436   1HB   ASP  57          1HB       ASP  57 -12.992   3.849  -2.896
  437   2HB   ASP  57          2HB       ASP  57 -12.896   3.918  -4.657
  438    H    GLN  58           H        GLN  58 -10.036   5.621  -3.553
  439    HA   GLN  58           HA       GLN  58  -9.947   6.122  -6.436
  440   1HB   GLN  58          1HB       GLN  58 -10.356   7.886  -4.644
  441   2HB   GLN  58          2HB       GLN  58  -8.640   7.762  -4.257
  442   1HG   GLN  58          1HG       GLN  58  -8.040   8.385  -6.537
  443   2HG   GLN  58          2HG       GLN  58  -9.740   8.402  -7.009
  444   1HE2  GLN  58          2HE2      GLN  58  -8.913   9.590  -3.817
  445   2HE2  GLN  58          1HE2      GLN  58  -9.136  11.237  -4.161
  446    H    ALA  59           H        ALA  59  -7.592   5.543  -3.830
  447    HA   ALA  59           HA       ALA  59  -5.243   5.782  -5.425
  448   1HB   ALA  59          1HB       ALA  59  -5.871   4.273  -2.886
  449   2HB   ALA  59          2HB       ALA  59  -4.274   4.193  -3.632
  450   3HB   ALA  59          3HB       ALA  59  -4.913   5.741  -3.080
  451    H    ILE  60           H        ILE  60  -7.523   3.128  -4.993
  452    HA   ILE  60           HA       ILE  60  -5.821   1.134  -6.244
  453    HB   ILE  60           HB       ILE  60  -8.834   1.187  -5.883
  454   1HG1  ILE  60          1HG1      ILE  60  -6.571   0.082  -4.195
  455   2HG1  ILE  60          2HG1      ILE  60  -7.736   1.324  -3.735
  456   1HG2  ILE  60          1HG2      ILE  60  -7.321  -0.498  -7.476
  457   2HG2  ILE  60          2HG2      ILE  60  -7.434  -1.391  -5.959
  458   3HG2  ILE  60          3HG2      ILE  60  -8.902  -0.886  -6.797
  459   1HD1  ILE  60          1HD1      ILE  60  -9.191  -0.978  -4.610
  460   2HD1  ILE  60          2HD1      ILE  60  -7.979  -1.504  -3.442
  461   3HD1  ILE  60          3HD1      ILE  60  -9.149  -0.262  -2.999
  462    H    ALA  61           H        ALA  61  -8.142   3.506  -7.372
  463    HA   ALA  61           HA       ALA  61  -8.364   2.378 -10.048
  464   1HB   ALA  61          1HB       ALA  61  -9.074   5.092  -8.903
  465   2HB   ALA  61          2HB       ALA  61  -9.393   4.626 -10.574
  466   3HB   ALA  61          3HB       ALA  61 -10.176   3.760  -9.251
  467    H    GLY  62           H        GLY  62  -6.024   4.274  -8.405
  468   1HA   GLY  62          1HA       GLY  62  -4.797   5.021 -11.031
  469   2HA   GLY  62          2HA       GLY  62  -4.612   5.995  -9.572
  470    H    LEU  63           H        LEU  63  -4.554   2.553  -9.199
  471    HA   LEU  63           HA       LEU  63  -1.597   2.457  -9.326
  472   1HB   LEU  63          1HB       LEU  63  -3.198   1.953  -6.802
  473   2HB   LEU  63          2HB       LEU  63  -1.511   1.481  -7.009
  474    HG   LEU  63           HG       LEU  63  -2.467   4.321  -7.420
  475   1HD1  LEU  63          1HD1      LEU  63  -1.814   2.821  -4.932
  476   2HD1  LEU  63          2HD1      LEU  63  -1.138   4.443  -5.081
  477   3HD1  LEU  63          3HD1      LEU  63  -2.883   4.204  -5.163
  478   1HD2  LEU  63          1HD2      LEU  63  -0.115   3.072  -8.115
  479   2HD2  LEU  63          2HD2      LEU  63  -0.278   4.801  -7.809
  480   3HD2  LEU  63          3HD2      LEU  63   0.278   3.727  -6.525
  481    H    ASN  64           H        ASN  64  -4.323   0.522  -8.024
  482    HA   ASN  64           HA       ASN  64  -3.371  -2.028  -8.482
  483   1HB   ASN  64          1HB       ASN  64  -5.570  -1.652  -7.501
  484   2HB   ASN  64          2HB       ASN  64  -6.174  -1.007  -9.029
  485   1HD2  ASN  64          2HD2      ASN  64  -4.157  -3.921  -8.359
  486   2HD2  ASN  64          1HD2      ASN  64  -5.220  -5.010  -9.111
  487    H    GLY  65           H        GLY  65  -2.408  -2.859 -10.264
  488   1HA   GLY  65          1HA       GLY  65  -2.520  -3.696 -12.527
  489   2HA   GLY  65          2HA       GLY  65  -3.713  -2.451 -12.899
  490    H    MET  66           H        MET  66  -0.376  -2.434 -11.581
  491    HA   MET  66           HA       MET  66   0.358  -0.562 -13.783
  492   1HB   MET  66          1HB       MET  66  -0.094   0.793 -11.776
  493   2HB   MET  66          2HB       MET  66   1.035  -0.195 -10.849
  494   1HG   MET  66          1HG       MET  66   2.899   0.669 -11.932
  495   2HG   MET  66          2HG       MET  66   1.989   1.086 -13.384
  496   1HE   MET  66          1HE       MET  66   3.789   2.984 -12.924
  497   2HE   MET  66          2HE       MET  66   2.412   3.662 -13.803
  498   3HE   MET  66          3HE       MET  66   3.133   4.554 -12.466
  499    H    GLN  67           H        GLN  67   1.199  -2.813 -14.451
  500    HA   GLN  67           HA       GLN  67   3.229  -4.233 -13.169
  501   1HB   GLN  67          1HB       GLN  67   2.170  -4.780 -15.383
  502   2HB   GLN  67          2HB       GLN  67   3.219  -3.589 -16.131
  503   1HG   GLN  67          1HG       GLN  67   4.535  -5.609 -14.394
  504   2HG   GLN  67          2HG       GLN  67   3.861  -6.206 -15.909
  505   1HE2  GLN  67          2HE2      GLN  67   6.653  -6.213 -15.623
  506   2HE2  GLN  67          1HE2      GLN  67   7.329  -5.022 -16.624
  507    H    LEU  68           H        LEU  68   5.592  -4.217 -13.909
  508    HA   LEU  68           HA       LEU  68   6.620  -1.425 -14.151
  509   1HB   LEU  68          1HB       LEU  68   6.732  -2.173 -11.778
  510   2HB   LEU  68          2HB       LEU  68   7.717  -3.545 -12.282
  511    HG   LEU  68           HG       LEU  68   9.268  -1.774 -13.363
  512   1HD1  LEU  68          1HD1      LEU  68   7.370  -0.119 -11.745
  513   2HD1  LEU  68          2HD1      LEU  68   9.067   0.359 -11.785
  514   3HD1  LEU  68          3HD1      LEU  68   8.146   0.252 -13.285
  515   1HD2  LEU  68          1HD2      LEU  68   9.589  -3.140 -11.188
  516   2HD2  LEU  68          2HD2      LEU  68  10.558  -1.678 -11.375
  517   3HD2  LEU  68          3HD2      LEU  68   9.124  -1.661 -10.347
  518    H    GLY  69           H        GLY  69   8.229  -4.567 -13.749
  519   1HA   GLY  69          1HA       GLY  69   9.190  -4.414 -16.556
  520   2HA   GLY  69          2HA       GLY  69  10.394  -4.486 -15.267
  521    H    ASP  70           H        ASP  70   9.529  -6.313 -13.531
  522    HA   ASP  70           HA       ASP  70   8.889  -8.744 -15.150
  523   1HB   ASP  70          1HB       ASP  70  11.368  -8.411 -14.382
  524   2HB   ASP  70          2HB       ASP  70  10.753  -8.857 -12.790
  525    H    LYS  71           H        LYS  71   7.750  -6.763 -12.834
  526    HA   LYS  71           HA       LYS  71   6.309  -9.007 -11.499
  527   1HB   LYS  71          1HB       LYS  71   7.182  -6.568  -9.954
  528   2HB   LYS  71          2HB       LYS  71   6.648  -8.130  -9.333
  529   1HG   LYS  71          1HG       LYS  71   8.679  -9.194 -10.238
  530   2HG   LYS  71          2HG       LYS  71   9.215  -7.638 -10.873
  531   1HD   LYS  71          1HD       LYS  71  10.336  -8.044  -8.752
  532   2HD   LYS  71          2HD       LYS  71   9.178  -6.730  -8.540
  533   1HE   LYS  71          1HE       LYS  71   8.194  -7.898  -6.890
  534   2HE   LYS  71          2HE       LYS  71   7.776  -9.153  -8.057
  535   1HZ   LYS  71          1HZ       LYS  71  10.281  -9.788  -7.681
  536   2HZ   LYS  71          2HZ       LYS  71  10.024  -9.021  -6.190
  537   3HZ   LYS  71          3HZ       LYS  71   9.062 -10.348  -6.639
  538    H    LYS  72           H        LYS  72   4.236  -8.270 -10.524
  539    HA   LYS  72           HA       LYS  72   3.146  -5.934 -12.038
  540   1HB   LYS  72          1HB       LYS  72   2.058  -8.048 -12.616
  541   2HB   LYS  72          2HB       LYS  72   1.737  -8.375 -10.912
  542   1HG   LYS  72          1HG       LYS  72   0.269  -6.450 -10.759
  543   2HG   LYS  72          2HG       LYS  72   0.687  -5.951 -12.399
  544   1HD   LYS  72          1HD       LYS  72  -0.177  -8.679 -12.484
  545   2HD   LYS  72          2HD       LYS  72  -1.376  -7.745 -11.588
  546   1HE   LYS  72          1HE       LYS  72  -1.875  -6.386 -13.399
  547   2HE   LYS  72          2HE       LYS  72  -0.283  -6.595 -14.128
  548   1HZ   LYS  72          1HZ       LYS  72  -1.710  -9.060 -13.912
  549   2HZ   LYS  72          2HZ       LYS  72  -2.563  -7.916 -14.834
  550   3HZ   LYS  72          3HZ       LYS  72  -0.982  -8.349 -15.272
  551    H    LEU  73           H        LEU  73   2.157  -4.291 -10.894
  552    HA   LEU  73           HA       LEU  73   2.719  -4.032  -8.089
  553   1HB   LEU  73          1HB       LEU  73   1.055  -2.474 -10.064
  554   2HB   LEU  73          2HB       LEU  73   1.073  -2.047  -8.355
  555    HG   LEU  73           HG       LEU  73   2.807  -0.944 -10.012
  556   1HD1  LEU  73          1HD1      LEU  73   2.997  -1.833  -7.199
  557   2HD1  LEU  73          2HD1      LEU  73   4.535  -1.393  -7.942
  558   3HD1  LEU  73          3HD1      LEU  73   3.215  -0.225  -7.889
  559   1HD2  LEU  73          1HD2      LEU  73   3.619  -3.126 -10.882
  560   2HD2  LEU  73          2HD2      LEU  73   4.915  -2.202 -10.121
  561   3HD2  LEU  73          3HD2      LEU  73   4.170  -3.551  -9.262
  562    H    LEU  74           H        LEU  74   1.696  -5.418  -6.684
  563    HA   LEU  74           HA       LEU  74  -1.105  -6.201  -7.142
  564   1HB   LEU  74          1HB       LEU  74   0.731  -6.825  -4.807
  565   2HB   LEU  74          2HB       LEU  74  -0.804  -7.617  -5.168
  566    HG   LEU  74           HG       LEU  74   1.844  -7.911  -6.503
  567   1HD1  LEU  74          1HD1      LEU  74  -0.533  -9.701  -5.930
  568   2HD1  LEU  74          2HD1      LEU  74   0.909 -10.238  -6.792
  569   3HD1  LEU  74          3HD1      LEU  74   1.029  -9.711  -5.113
  570   1HD2  LEU  74          1HD2      LEU  74  -0.821  -7.875  -7.933
  571   2HD2  LEU  74          2HD2      LEU  74   0.669  -7.045  -8.385
  572   3HD2  LEU  74          3HD2      LEU  74   0.551  -8.798  -8.546
  573    H    VAL  75           H        VAL  75  -1.451  -3.652  -6.945
  574    HA   VAL  75           HA       VAL  75  -1.734  -2.836  -4.106
  575    HB   VAL  75           HB       VAL  75  -2.330  -1.240  -6.614
  576   1HG1  VAL  75          1HG1      VAL  75  -2.852  -0.772  -3.877
  577   2HG1  VAL  75          2HG1      VAL  75  -1.467   0.240  -4.287
  578   3HG1  VAL  75          3HG1      VAL  75  -2.969   0.390  -5.199
  579   1HG2  VAL  75          1HG2      VAL  75   0.201  -1.946  -5.257
  580   2HG2  VAL  75          2HG2      VAL  75  -0.072  -1.383  -6.906
  581   3HG2  VAL  75          3HG2      VAL  75  -0.009  -0.224  -5.578
  582    H    GLN  76           H        GLN  76  -3.600  -3.513  -3.163
  583    HA   GLN  76           HA       GLN  76  -6.158  -2.877  -4.479
  584   1HB   GLN  76          1HB       GLN  76  -6.993  -5.245  -3.998
  585   2HB   GLN  76          2HB       GLN  76  -5.881  -5.084  -5.358
  586   1HG   GLN  76          1HG       GLN  76  -3.999  -5.653  -3.765
  587   2HG   GLN  76          2HG       GLN  76  -5.228  -6.041  -2.561
  588   1HE2  GLN  76          2HE2      GLN  76  -3.388  -7.382  -5.075
  589   2HE2  GLN  76          1HE2      GLN  76  -4.319  -8.775  -5.347
  590    H    ARG  77           H        ARG  77  -7.879  -4.162  -2.743
  591    HA   ARG  77           HA       ARG  77  -7.405  -2.654  -0.276
  592   1HB   ARG  77          1HB       ARG  77  -9.678  -4.299  -1.377
  593   2HB   ARG  77          2HB       ARG  77  -9.673  -3.789   0.309
  594   1HG   ARG  77          1HG       ARG  77  -9.906  -1.552  -0.217
  595   2HG   ARG  77          2HG       ARG  77  -9.086  -1.726  -1.769
  596   1HD   ARG  77          1HD       ARG  77 -11.370  -1.386  -2.327
  597   2HD   ARG  77          2HD       ARG  77 -11.117  -3.123  -2.498
  598    HE   ARG  77           HE       ARG  77 -11.982  -2.625   0.164
  599   1HH1  ARG  77          1HH1      ARG  77 -13.281  -4.634  -1.594
  600   2HH1  ARG  77          2HH1      ARG  77 -14.848  -3.947  -1.860
  601   1HH2  ARG  77          1HH2      ARG  77 -13.923  -0.770  -0.823
  602   2HH2  ARG  77          2HH2      ARG  77 -15.212  -1.758  -1.423
  603    H    ALA  78           H        ALA  78  -6.149  -3.544   1.284
  604    HA   ALA  78           HA       ALA  78  -5.903  -6.482   1.473
  605   1HB   ALA  78          1HB       ALA  78  -4.100  -4.447   1.847
  606   2HB   ALA  78          2HB       ALA  78  -4.562  -4.823   3.508
  607   3HB   ALA  78          3HB       ALA  78  -3.898  -6.085   2.470
  608    H    SER  79           H        SER  79  -8.231  -6.653   2.172
  609    HA   SER  79           HA       SER  79  -8.356  -6.760   5.091
  610   1HB   SER  79          1HB       SER  79  -9.100  -4.546   5.071
  611   2HB   SER  79          2HB       SER  79  -9.901  -4.722   3.511
  612    HG   SER  79           HG       SER  79 -11.620  -5.462   4.491
  613    H    VAL  80           H        VAL  80  -8.483  -9.005   3.976
  614    HA   VAL  80           HA       VAL  80 -11.309  -9.578   3.208
  615    HB   VAL  80           HB       VAL  80  -9.999 -10.346   1.435
  616   1HG1  VAL  80          1HG1      VAL  80  -7.973 -10.748   3.562
  617   2HG1  VAL  80          2HG1      VAL  80  -7.908 -11.885   2.216
  618   3HG1  VAL  80          3HG1      VAL  80  -7.777 -10.153   1.914
  619   1HG2  VAL  80          1HG2      VAL  80 -11.241 -12.228   3.052
  620   2HG2  VAL  80          2HG2      VAL  80 -10.670 -12.505   1.407
  621   3HG2  VAL  80          3HG2      VAL  80  -9.645 -12.927   2.777
  622    H    GLY  81           H        GLY  81  -9.077 -12.063   4.317
  623   1HA   GLY  81          1HA       GLY  81  -9.529 -13.696   5.981
  624   2HA   GLY  81          2HA       GLY  81  -9.339 -12.273   7.002
  625    H    ALA  82           H        ALA  82 -11.993 -12.733   4.720
  626    HA   ALA  82           HA       ALA  82 -13.823 -12.938   7.078
  627   1HB   ALA  82          1HB       ALA  82 -13.737 -10.781   5.534
  628   2HB   ALA  82          2HB       ALA  82 -14.750 -11.771   4.483
  629   3HB   ALA  82          3HB       ALA  82 -15.275 -11.407   6.127
  630    H    LYS  83           H        LYS  83 -15.553 -14.377   6.907
  631    HA   LYS  83           HA       LYS  83 -15.394 -16.274   4.607
  632   1HB   LYS  83          1HB       LYS  83 -16.789 -16.759   7.248
  633   2HB   LYS  83          2HB       LYS  83 -16.277 -17.954   6.055
  634   1HG   LYS  83          1HG       LYS  83 -14.183 -18.043   6.899
  635   2HG   LYS  83          2HG       LYS  83 -14.061 -16.285   6.974
  636   1HD   LYS  83          1HD       LYS  83 -15.633 -17.927   8.975
  637   2HD   LYS  83          2HD       LYS  83 -13.955 -17.445   9.223
  638   1HE   LYS  83          1HE       LYS  83 -15.933 -15.332   8.466
  639   2HE   LYS  83          2HE       LYS  83 -15.951 -15.937  10.122
  640   1HZ   LYS  83          1HZ       LYS  83 -13.330 -15.336   9.046
  641   2HZ   LYS  83          2HZ       LYS  83 -14.343 -13.990   9.267
  642   3HZ   LYS  83          3HZ       LYS  83 -13.977 -15.006  10.579
  643    H    ASN  84           H        ASN  84 -17.026 -13.604   5.328
  644    HA   ASN  84           HA       ASN  84 -19.767 -14.588   4.881
  645   1HB   ASN  84          1HB       ASN  84 -18.492 -11.982   5.569
  646   2HB   ASN  84          2HB       ASN  84 -20.025 -11.917   4.700
  647   1HD2  ASN  84          2HD2      ASN  84 -18.797 -14.145   7.266
  648   2HD2  ASN  84          1HD2      ASN  84 -20.120 -13.910   8.303
  649    H    ALA  85           H        ALA  85 -19.703 -15.446   2.758
  650    HA   ALA  85           HA       ALA  85 -19.807 -15.351   0.416
  651   1HB   ALA  85          1HB       ALA  85 -21.369 -13.421   1.090
  652   2HB   ALA  85          2HB       ALA  85 -20.014 -12.351   0.728
  653   3HB   ALA  85          3HB       ALA  85 -20.701 -13.365  -0.542