*HEADER    STRUCTURAL GENOMICS, UNKNOWN FUNCTION   28-JUN-07   2JRP              
*TITLE     NMR STRUCTURE OF PROTEIN YFGJ FROM SALMONELLA TYPHIMURIUM.            
*TITLE    2 NORTHEAST STRUCTURAL GENOMICS TARGET STR86.                          
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: PUTATIVE CYTOPLASMIC PROTEIN;                              
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: SALMONELLA TYPHIMURIUM;                         
*SOURCE   3 ORGANISM_COMMON: BACTERIA;                                           
*SOURCE   4 STRAIN: LT2, SGSC1412;                                               
*SOURCE   5 ATCC: 700720;                                                        
*SOURCE   6 GENE: YFGJ, STM2518;                                                 
*SOURCE   7 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   8 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE  10 EXPRESSION_SYSTEM_PLASMID: PET21                                     
*KEYWDS    TWO-ZINC BINDING PROTEIN, STRUCTURAL GENOMICS, PSI-2,                 
*KEYWDS   2 PROTEIN STRUCTURE INITIATIVE, NORTHEAST STRUCTURAL GENOMICS          
*KEYWDS   3 CONSORTIUM, NESG                                                     
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    K.DING, T.A.RAMELOT, J.R.CORT, H.WANG, C.NWOSU,                       
*AUTHOR   2 K.CUNNINGHAM, L.OWENS, L.MA, R.XIAO, J.LIU, M.C.BARAN,               
*AUTHOR   3 G.V.T.SWAPNA, T.B.ACTON, B.ROST, G.T.MONTELIONE,                     
*AUTHOR   4 M.A.KENNEDY, NORTHEAST STRUCTURAL GENOMICS CONSORTIUM (NESG)         
*REVDAT   1   10-JUL-07 2JRP    0                                                


remarks xplor zn restraints

assign (resid  150 and  name ZN   )(resid   5 and  name SG   ) 2.2 0.0 0.2
assign (resid  150 and  name ZN   )(resid   8 and  name SG   ) 2.2 0.0 0.2
assign (resid  150 and  name ZN   )(resid   21 and  name SG   ) 2.2 0.0 0.2
assign (resid  150 and  name ZN   )(resid   24 and  name SG   ) 2.2 0.0 0.2
assign (resid   5 and  name SG   )(resid   8 and  name SG   ) 3.6 0.0 0.4
assign (resid   5 and  name SG   )(resid   21 and  name SG   ) 3.6 0.0 0.4
assign (resid   5 and  name SG   )(resid   24 and  name SG   ) 3.6 0.0 0.4
assign (resid   8 and  name SG   )(resid   21 and  name SG   ) 3.6 0.0 0.4
assign (resid   8 and  name SG   )(resid   24 and  name SG   ) 3.6 0.0 0.4
assign (resid   21 and  name SG   )(resid   24 and  name SG   ) 3.6 0.0 0.4
assign (resid  200 and  name ZN   )(resid   34 and  name SG   ) 2.2 0.0 0.2
assign (resid  200 and  name ZN   )(resid   37 and  name SG   ) 2.2 0.0 0.2
assign (resid  200 and  name ZN   )(resid   54 and  name SG   ) 2.2 0.0 0.2
assign (resid  200 and  name ZN   )(resid   58 and  name ND1  ) 2.0 0.0 0.2
assign (resid   34 and  name SG   )(resid   37 and  name SG   ) 3.6 0.0 0.6
assign (resid   34 and  name SG   )(resid   54 and  name SG   ) 3.6 0.0 0.6
assign (resid   34 and  name SG   )(resid   58 and  name ND1  ) 3.1 0.0 0.9
assign (resid   37 and  name SG   )(resid   54 and  name SG   ) 3.6 0.0 0.6
assign (resid   37 and  name SG   )(resid   58 and  name ND1  ) 3.1 0.0 0.9
assign (resid   54 and  name SG   )(resid   58 and  name ND1  ) 3.1 0.0 0.9
assign (resid 150 and name "ZN+2" )(resid 22 and name OE1 ) 1.99 0.0 20.0
assign (resid 150 and name "ZN+2" )(resid 22 and name OE2 ) 1.99 0.0 20.0
assign (resid 150 and name "ZN+2" )(resid 23 and name O ) 1.99 0.0 20.0
assign (resid 200 and name "ZN+2" )(resid 36 and name OD1 ) 1.99 0.0 20.0
assign (resid 200 and name "ZN+2" )(resid 36 and name OD2 ) 1.99 0.0 20.0
assign (resid 200 and name "ZN+2" )(resid 59 and name O ) 1.99 0.0 20.0

remarks xplor hbond restraints

assign (resid   15  and name  HN )(resid   18  and name  O  )  1.7  0.0  0.6
assign (resid   15  and name  N )(resid   18  and name  O  )  2.7  0.0  0.6
assign (resid   20  and name  HN )(resid   13  and name  O  )  1.7  0.0  0.6
assign (resid   20  and name  N )(resid   13  and name  O  )  2.7  0.0  0.6
assign (resid   46  and name  HN )(resid   49  and name  O  )  1.7  0.0  0.6
assign (resid   46  and name  N )(resid   49  and name  O  )  2.7  0.0  0.6
assign (resid   19  and name  HN )(resid   28  and name  O  )  1.7  0.0  0.6
assign (resid   19  and name  N )(resid   28  and name  O  )  2.7  0.0  0.6
assign (resid   28  and name  HN )(resid   19  and name  O  )  1.7  0.0  0.6
assign (resid   28  and name  N )(resid   19  and name  O  )  2.7  0.0  0.6
assign (resid   31  and name  HN )(resid   69  and name  O  )  1.7  0.0  0.6
assign (resid   31  and name  N )(resid   69  and name  O  )  2.7  0.0  0.6
assign (resid   33  and name  HN )(resid   67  and name  O  )  1.7  0.0  0.6
assign (resid   33  and name  N )(resid   67  and name  O  )  2.7  0.0  0.6
assign (resid   67  and name  HN )(resid   33  and name  O  )  1.7  0.0  0.6
assign (resid   67  and name  N )(resid   33  and name  O  )  2.7  0.0  0.6
assign (resid   69  and name  HN )(resid   31  and name  O  )  1.7  0.0  0.6
assign (resid   69  and name  N )(resid   31  and name  O  )  2.7  0.0  0.6
assign (resid   44  and name  HN )(resid   51  and name  O  )  1.7  0.0  0.6
assign (resid   44  and name  N )(resid   51  and name  O  )  2.7  0.0  0.6
assign (resid   51  and name  HN )(resid   44  and name  O  )  1.7  0.0  0.6
assign (resid   51  and name  N )(resid   44  and name  O  )  2.7  0.0  0.6

remarks xplor NOE restraints 

assign (resid   2  and name  HB# )(resid   11  and name  HB#  )  1.8  0.0  3.2
assign (resid   2  and name  HB# )(resid   3  and name  HN  )  1.8  0.0  2.7
assign (resid   2  and name  HB# )(resid   4  and name  HG2#  )  1.8  0.0  3.2
assign (resid   2  and name  HG# )(resid   11  and name  HB#  )  1.8  0.0  3.2
assign (resid   2  and name  HG# )(resid   3  and name  HN  )  1.8  0.0  3.2
assign (resid   2  and name  HG# )(resid   4  and name  HG2#  )  1.8  0.0  3.2
assign (resid   3  and name  HA )(resid   4  and name  HN  )  1.8  0.0  1.7
assign (resid   3  and name  HB )(resid   12  and name  HB#  )  1.8  0.0  3.2
assign (resid   3  and name  HB )(resid   12  and name  HD1#  )  1.8  0.0  3.2
assign (resid   3  and name  HB )(resid   12  and name  HD2#  )  1.8  0.0  3.2
assign (resid   3  and name  HB )(resid   4  and name  HN  )  1.8  0.0  3.2
assign (resid   3  and name  HD1# )(resid   14  and name  HD#  )  1.8  0.0  3.2
assign (resid   3  and name  HD1# )(resid   19  and name  HB#  )  1.8  0.0  3.2
assign (resid   3  and name  HD1# )(resid   30  and name  HD1#  )  1.8  0.0  3.2
assign (resid   3  and name  HD1# )(resid   30  and name  HD2#  )  1.8  0.0  3.2
assign (resid   3  and name  HG1# )(resid   12  and name  HD##  )  1.8  0.0  3.2
assign (resid   3  and name  HG2# )(resid   12  and name  HD##  )  1.8  0.0  3.2
assign (resid   3  and name  HG2# )(resid   30  and name  HD1#  )  1.8  0.0  3.2
assign (resid   3  and name  HG2# )(resid   30  and name  HD2#  )  1.8  0.0  3.2
assign (resid   3  and name  HG2# )(resid   4  and name  HN  )  1.8  0.0  3.2
assign (resid   3  and name  HN )(resid   4  and name  HN  )  1.8  0.0  3.2
assign (resid   4  and name  HA )(resid   11  and name  HA  )  1.8  0.0  3.2
assign (resid   4  and name  HA )(resid   12  and name  HD##  )  1.8  0.0  3.2
assign (resid   4  and name  HA )(resid   12  and name  HG  )  1.8  0.0  3.2
assign (resid   4  and name  HA )(resid   12  and name  HN  )  1.8  0.0  3.2
assign (resid   4  and name  HA )(resid   5  and name  HN  )  1.8  0.0  1.7
assign (resid   4  and name  HB )(resid   5  and name  HN  )  1.8  0.0  3.2
assign (resid   4  and name  HB )(resid   9  and name  HA  )  1.8  0.0  3.2
assign (resid   4  and name  HG2# )(resid   10  and name  HA  )  1.8  0.0  3.2
assign (resid   4  and name  HG2# )(resid   11  and name  HA  )  1.8  0.0  3.2
assign (resid   4  and name  HG2# )(resid   11  and name  HB#  )  1.8  0.0  3.2
assign (resid   4  and name  HG2# )(resid   11  and name  HN  )  1.8  0.0  3.2
assign (resid   4  and name  HG2# )(resid   12  and name  HN  )  1.8  0.0  3.2
assign (resid   4  and name  HG2# )(resid   5  and name  HN  )  1.8  0.0  3.2
assign (resid   4  and name  HG2# )(resid   9  and name  HA  )  1.8  0.0  3.2
assign (resid   4  and name  HG2# )(resid   9  and name  HB#  )  1.8  0.0  3.2
assign (resid   4  and name  HG2# )(resid   9  and name  HD2  )  1.8  0.0  3.2
assign (resid   4  and name  HN )(resid   12  and name  HD##  )  1.8  0.0  3.2
assign (resid   5  and name  HA )(resid   12  and name  HD1#  )  1.8  0.0  3.2
assign (resid   5  and name  HA )(resid   12  and name  HD2#  )  1.8  0.0  3.2
assign (resid   5  and name  HA )(resid   12  and name  HG  )  1.8  0.0  3.2
assign (resid   5  and name  HA )(resid   6  and name  HD#  )  1.8  0.0  2.1
assign (resid   5  and name  HA )(resid   70  and name  HD1#  )  1.8  0.0  3.2
assign (resid   5  and name  HB# )(resid   12  and name  HD1#  )  1.8  0.0  3.2
assign (resid   5  and name  HB# )(resid   12  and name  HD2#  )  1.8  0.0  3.2
assign (resid   5  and name  HB# )(resid   28  and name  HE#  )  1.8  0.0  3.2
assign (resid   5  and name  HB# )(resid   7  and name  HN  )  1.8  0.0  3.2
assign (resid   5  and name  HB# )(resid   9  and name  HN  )  1.8  0.0  3.2
assign (resid   5  and name  HN )(resid   11  and name  HA  )  1.8  0.0  3.2
assign (resid   5  and name  HN )(resid   12  and name  HD1#  )  1.8  0.0  3.2
assign (resid   5  and name  HN )(resid   12  and name  HD2#  )  1.8  0.0  3.2
assign (resid   5  and name  HN )(resid   12  and name  HG  )  1.8  0.0  3.2
assign (resid   6  and name  HD# )(resid   12  and name  HD##  )  1.8  0.0  3.2
assign (resid   6  and name  HD# )(resid   28  and name  HZ  )  1.8  0.0  3.2
assign (resid   6  and name  HD# )(resid   70  and name  HD1#  )  1.8  0.0  3.2
assign (resid   6  and name  HD# )(resid   7  and name  HN  )  1.8  0.0  3.2
assign (resid   6  and name  HG# )(resid   28  and name  HZ  )  1.8  0.0  3.2
assign (resid   6  and name  HG# )(resid   70  and name  HD1#  )  1.8  0.0  3.2
assign (resid   6  and name  HG# )(resid   7  and name  HN  )  1.8  0.0  3.2
assign (resid   7  and name  HG## )(resid   24  and name  HB#  )  1.8  0.0  3.2
assign (resid   7  and name  HG## )(resid   28  and name  HZ  )  1.8  0.0  3.2
assign (resid   7  and name  HN )(resid   9  and name  HN  )  1.8  0.0  3.2
assign (resid   8  and name  HB# )(resid   12  and name  HD##  )  1.8  0.0  3.2
assign (resid   8  and name  HB# )(resid   23  and name  HG2#  )  1.8  0.0  3.2
assign (resid   8  and name  HB# )(resid   23  and name  HN  )  1.8  0.0  3.2
assign (resid   8  and name  HB# )(resid   9  and name  HN  )  1.8  0.0  2.7
assign (resid   10  and name  HA )(resid   11  and name  HN  )  1.8  0.0  1.7
assign (resid   10  and name  HB# )(resid   11  and name  HN  )  1.8  0.0  2.7
assign (resid   10  and name  HD2 )(resid   23  and name  HG2#  )  1.8  0.0  3.2
assign (resid   10  and name  HE1 )(resid   23  and name  HG2#  )  1.8  0.0  3.2
assign (resid   11  and name  HA )(resid   12  and name  HN  )  1.8  0.0  1.7
assign (resid   11  and name  HB# )(resid   12  and name  HN  )  1.8  0.0  2.7
assign (resid   12  and name  HA )(resid   13  and name  HN  )  1.8  0.0  1.7
assign (resid   12  and name  HB# )(resid   13  and name  HN  )  1.8  0.0  2.7
assign (resid   12  and name  HB# )(resid   19  and name  HB#  )  1.8  0.0  3.2
assign (resid   12  and name  HB# )(resid   21  and name  HA  )  1.8  0.0  3.2
assign (resid   12  and name  HD1# )(resid   19  and name  HB#  )  1.8  0.0  3.2
assign (resid   12  and name  HD1# )(resid   28  and name  HD#  )  1.8  0.0  3.2
assign (resid   12  and name  HD1# )(resid   28  and name  HE#  )  1.8  0.0  3.2
assign (resid   12  and name  HD1# )(resid   28  and name  HZ  )  1.8  0.0  3.2
assign (resid   12  and name  HD2# )(resid   19  and name  HB#  )  1.8  0.0  3.2
assign (resid   12  and name  HD2# )(resid   28  and name  HD#  )  1.8  0.0  3.2
assign (resid   12  and name  HD2# )(resid   28  and name  HE#  )  1.8  0.0  3.2
assign (resid   12  and name  HD## )(resid   13  and name  HN  )  1.8  0.0  3.2
assign (resid   12  and name  HD## )(resid   21  and name  HA  )  1.8  0.0  3.2
assign (resid   12  and name  HD## )(resid   21  and name  HN  )  1.8  0.0  3.2
assign (resid   12  and name  HD## )(resid   22  and name  HN  )  1.8  0.0  3.2
assign (resid   12  and name  HD## )(resid   28  and name  HB#  )  1.8  0.0  3.2
assign (resid   12  and name  HD## )(resid   28  and name  HZ  )  1.8  0.0  3.2
assign (resid   12  and name  HG )(resid   21  and name  HA  )  1.8  0.0  3.2
assign (resid   13  and name  HA )(resid   14  and name  HN  )  1.8  0.0  1.7
assign (resid   13  and name  HB# )(resid   20  and name  HB#  )  1.8  0.0  3.2
assign (resid   13  and name  HB# )(resid   20  and name  HD2  )  1.8  0.0  3.2
assign (resid   13  and name  HB# )(resid   20  and name  HN  )  1.8  0.0  3.2
assign (resid   13  and name  HG# )(resid   14  and name  HN  )  1.8  0.0  3.2
assign (resid   13  and name  HN )(resid   14  and name  HN  )  1.8  0.0  3.2
assign (resid   13  and name  HN )(resid   20  and name  HN  )  1.8  0.0  2.2
assign (resid   14  and name  HA )(resid   15  and name  HN  )  1.8  0.0  1.7
assign (resid   14  and name  HA )(resid   19  and name  HA  )  1.8  0.0  1.2
assign (resid   14  and name  HA )(resid   20  and name  HN  )  1.8  0.0  2.2
assign (resid   14  and name  HB# )(resid   15  and name  HN  )  1.8  0.0  2.7
assign (resid   14  and name  HG# )(resid   15  and name  HN  )  1.8  0.0  3.2
assign (resid   14  and name  HG# )(resid   16  and name  HN  )  1.8  0.0  3.2
assign (resid   15  and name  HB# )(resid   16  and name  HN  )  1.8  0.0  2.7
assign (resid   15  and name  HB# )(resid   18  and name  HG2#  )  1.8  0.0  3.2
assign (resid   15  and name  HB# )(resid   18  and name  HN  )  1.8  0.0  3.2
assign (resid   15  and name  HN )(resid   18  and name  HN  )  1.8  0.0  2.2
assign (resid   15  and name  HN )(resid   19  and name  HA  )  1.8  0.0  2.2
assign (resid   15  and name  HN )(resid   19  and name  HB#  )  1.8  0.0  3.2
assign (resid   17  and name  HA )(resid   30  and name  HD##  )  1.8  0.0  3.2
assign (resid   17  and name  HB# )(resid   18  and name  HN  )  1.8  0.0  2.7
assign (resid   17  and name  HN )(resid   18  and name  HN  )  1.8  0.0  3.2
assign (resid   18  and name  HA )(resid   19  and name  HN  )  1.8  0.0  1.7
assign (resid   18  and name  HA )(resid   29  and name  HA  )  1.8  0.0  2.2
assign (resid   18  and name  HA )(resid   30  and name  HD##  )  1.8  0.0  3.2
assign (resid   18  and name  HA )(resid   30  and name  HG  )  1.8  0.0  3.2
assign (resid   18  and name  HA )(resid   30  and name  HN  )  1.8  0.0  2.2
assign (resid   18  and name  HB )(resid   19  and name  HN  )  1.8  0.0  3.2
assign (resid   18  and name  HB )(resid   27  and name  HB#  )  1.8  0.0  3.2
assign (resid   18  and name  HG2# )(resid   19  and name  HN  )  1.8  0.0  3.2
assign (resid   18  and name  HG2# )(resid   27  and name  HB#  )  1.8  0.0  3.2
assign (resid   18  and name  HG2# )(resid   29  and name  HA  )  1.8  0.0  3.2
assign (resid   18  and name  HN )(resid   30  and name  HD##  )  1.8  0.0  3.2
assign (resid   19  and name  HA )(resid   20  and name  HN  )  1.8  0.0  1.7
assign (resid   19  and name  HA )(resid   30  and name  HD##  )  1.8  0.0  3.2
assign (resid   19  and name  HB# )(resid   20  and name  HN  )  1.8  0.0  2.7
assign (resid   19  and name  HB# )(resid   28  and name  HB#  )  1.8  0.0  3.2
assign (resid   19  and name  HB# )(resid   28  and name  HD#  )  1.8  0.0  3.2
assign (resid   19  and name  HB# )(resid   28  and name  HN  )  1.8  0.0  3.2
assign (resid   19  and name  HB# )(resid   30  and name  HD##  )  1.8  0.0  3.2
assign (resid   19  and name  HN )(resid   30  and name  HD##  )  1.8  0.0  3.2
assign (resid   20  and name  HA )(resid   21  and name  HN  )  1.8  0.0  1.7
assign (resid   20  and name  HA )(resid   27  and name  HA  )  1.8  0.0  1.2
assign (resid   20  and name  HA )(resid   28  and name  HD#  )  1.8  0.0  3.2
assign (resid   20  and name  HB# )(resid   21  and name  HN  )  1.8  0.0  2.7
assign (resid   20  and name  HB# )(resid   27  and name  HA  )  1.8  0.0  3.2
assign (resid   20  and name  HD2 )(resid   22  and name  HA  )  1.8  0.0  3.2
assign (resid   20  and name  HD2 )(resid   22  and name  HG#  )  1.8  0.0  3.2
assign (resid   20  and name  HE1 )(resid   25  and name  HA  )  1.8  0.0  3.2
assign (resid   20  and name  HE1 )(resid   25  and name  HB#  )  1.8  0.0  3.2
assign (resid   21  and name  HA )(resid   22  and name  HN  )  1.8  0.0  1.7
assign (resid   21  and name  HB# )(resid   22  and name  HN  )  1.8  0.0  2.7
assign (resid   21  and name  HB# )(resid   25  and name  HN  )  1.8  0.0  3.2
assign (resid   21  and name  HB# )(resid   26  and name  HB#  )  1.8  0.0  3.2
assign (resid   21  and name  HB# )(resid   26  and name  HN  )  1.8  0.0  3.2
assign (resid   21  and name  HB# )(resid   28  and name  HZ  )  1.8  0.0  3.2
assign (resid   21  and name  HN )(resid   26  and name  HN  )  1.8  0.0  2.2
assign (resid   21  and name  HN )(resid   27  and name  HA  )  1.8  0.0  2.2
assign (resid   22  and name  HB# )(resid   23  and name  HN  )  1.8  0.0  2.7
assign (resid   22  and name  HN )(resid   23  and name  HN  )  1.8  0.0  3.2
assign (resid   23  and name  HB )(resid   24  and name  HN  )  1.8  0.0  3.2
assign (resid   23  and name  HG2# )(resid   24  and name  HN  )  1.8  0.0  3.2
assign (resid   23  and name  HN )(resid   24  and name  HN  )  1.8  0.0  3.2
assign (resid   24  and name  HB# )(resid   25  and name  HN  )  1.8  0.0  2.7
assign (resid   24  and name  HB# )(resid   26  and name  HB#  )  1.8  0.0  3.2
assign (resid   24  and name  HB# )(resid   26  and name  HD#  )  1.8  0.0  3.2
assign (resid   24  and name  HB# )(resid   26  and name  HG#  )  1.8  0.0  3.2
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assign (resid   26  and name  HD# )(resid   28  and name  HZ  )  1.8  0.0  3.2
assign (resid   26  and name  HE# )(resid   28  and name  HZ  )  1.8  0.0  3.2
assign (resid   26  and name  HG# )(resid   28  and name  HZ  )  1.8  0.0  3.2
assign (resid   27  and name  HA )(resid   28  and name  HN  )  1.8  0.0  1.7
assign (resid   27  and name  HB# )(resid   28  and name  HN  )  1.8  0.0  2.7
assign (resid   28  and name  HA )(resid   29  and name  HN  )  1.8  0.0  1.7
assign (resid   28  and name  HA )(resid   70  and name  HG2#  )  1.8  0.0  3.2
assign (resid   28  and name  HB# )(resid   29  and name  HN  )  1.8  0.0  2.7
assign (resid   28  and name  HB# )(resid   30  and name  HD##  )  1.8  0.0  3.2
assign (resid   28  and name  HB# )(resid   70  and name  HD1#  )  1.8  0.0  3.2
assign (resid   28  and name  HB# )(resid   70  and name  HG2#  )  1.8  0.0  3.2
assign (resid   28  and name  HD# )(resid   70  and name  HD1#  )  1.8  0.0  3.2
assign (resid   28  and name  HD# )(resid   70  and name  HG2#  )  1.8  0.0  3.2
assign (resid   28  and name  HN )(resid   30  and name  HD##  )  1.8  0.0  3.2
assign (resid   28  and name  HZ )(resid   70  and name  HD1#  )  1.8  0.0  3.2
assign (resid   29  and name  HA )(resid   30  and name  HN  )  1.8  0.0  1.7
assign (resid   29  and name  HB# )(resid   30  and name  HN  )  1.8  0.0  2.7
assign (resid   29  and name  HB# )(resid   70  and name  HG2#  )  1.8  0.0  3.2
assign (resid   29  and name  HN )(resid   70  and name  HG2#  )  1.8  0.0  3.2
assign (resid   30  and name  HA )(resid   70  and name  HA  )  1.8  0.0  1.2
assign (resid   30  and name  HA )(resid   70  and name  HG2#  )  1.8  0.0  3.2
assign (resid   30  and name  HA )(resid   71  and name  HN  )  1.8  0.0  2.2
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assign (resid   30  and name  HB# )(resid   68  and name  HD#  )  1.8  0.0  3.2
assign (resid   30  and name  HD1# )(resid   70  and name  HD1#  )  1.8  0.0  3.2
assign (resid   30  and name  HD2# )(resid   68  and name  HD#  )  1.8  0.0  3.2
assign (resid   30  and name  HD2# )(resid   70  and name  HD1#  )  1.8  0.0  3.2
assign (resid   30  and name  HD## )(resid   68  and name  HB#  )  1.8  0.0  3.2
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assign (resid   30  and name  HD## )(resid   70  and name  HA  )  1.8  0.0  3.2
assign (resid   30  and name  HD## )(resid   70  and name  HB  )  1.8  0.0  3.2
assign (resid   30  and name  HD## )(resid   71  and name  HN  )  1.8  0.0  3.2
assign (resid   31  and name  HA )(resid   32  and name  HN  )  1.8  0.0  1.7
assign (resid   31  and name  HB# )(resid   32  and name  HN  )  1.8  0.0  2.7
assign (resid   31  and name  HB# )(resid   33  and name  HD1#  )  1.8  0.0  3.2
assign (resid   31  and name  HB# )(resid   33  and name  HD2#  )  1.8  0.0  3.2
assign (resid   31  and name  HB# )(resid   69  and name  HG##  )  1.8  0.0  3.2
assign (resid   31  and name  HB# )(resid   71  and name  HB#  )  1.8  0.0  3.2
assign (resid   31  and name  HG# )(resid   32  and name  HN  )  1.8  0.0  3.2
assign (resid   31  and name  HG# )(resid   33  and name  HD##  )  1.8  0.0  3.2
assign (resid   31  and name  HG# )(resid   52  and name  HE#  )  1.8  0.0  3.2
assign (resid   31  and name  HG# )(resid   69  and name  HG##  )  1.8  0.0  3.2
assign (resid   32  and name  HA )(resid   33  and name  HN  )  1.8  0.0  1.7
assign (resid   32  and name  HA )(resid   66  and name  HG##  )  1.8  0.0  3.2
assign (resid   32  and name  HA )(resid   68  and name  HA  )  1.8  0.0  1.2
assign (resid   32  and name  HA )(resid   68  and name  HD#  )  1.8  0.0  3.2
assign (resid   32  and name  HA )(resid   69  and name  HN  )  1.8  0.0  2.2
assign (resid   32  and name  HB# )(resid   33  and name  HN  )  1.8  0.0  2.7
assign (resid   32  and name  HB# )(resid   41  and name  HB#  )  1.8  0.0  3.2
assign (resid   32  and name  HB# )(resid   41  and name  HD##  )  1.8  0.0  3.2
assign (resid   32  and name  HB# )(resid   51  and name  HA  )  1.8  0.0  3.2
assign (resid   32  and name  HB# )(resid   51  and name  HB#  )  1.8  0.0  3.2
assign (resid   32  and name  HB# )(resid   52  and name  HA  )  1.8  0.0  3.2
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assign (resid   32  and name  HB# )(resid   52  and name  HD#  )  1.8  0.0  3.2
assign (resid   32  and name  HB# )(resid   52  and name  HN  )  1.8  0.0  3.2
assign (resid   32  and name  HB# )(resid   53  and name  HA  )  1.8  0.0  3.2
assign (resid   32  and name  HB# )(resid   53  and name  HB#  )  1.8  0.0  3.2
assign (resid   32  and name  HB# )(resid   53  and name  HD#  )  1.8  0.0  3.2
assign (resid   32  and name  HB# )(resid   66  and name  HG1#  )  1.8  0.0  3.2
assign (resid   32  and name  HB# )(resid   66  and name  HG2#  )  1.8  0.0  3.2
assign (resid   32  and name  HB# )(resid   68  and name  HD#  )  1.8  0.0  3.2
assign (resid   32  and name  HB# )(resid   68  and name  HE#  )  1.8  0.0  3.2
assign (resid   33  and name  HA )(resid   34  and name  HN  )  1.8  0.0  1.7
assign (resid   33  and name  HA )(resid   41  and name  HD1#  )  1.8  0.0  3.2
assign (resid   33  and name  HA )(resid   41  and name  HD2#  )  1.8  0.0  3.2
assign (resid   33  and name  HB# )(resid   34  and name  HN  )  1.8  0.0  2.7
assign (resid   33  and name  HB# )(resid   38  and name  HA  )  1.8  0.0  3.2
assign (resid   33  and name  HB# )(resid   38  and name  HB#  )  1.8  0.0  3.2
assign (resid   33  and name  HB# )(resid   38  and name  HG#  )  1.8  0.0  3.2
assign (resid   33  and name  HB# )(resid   67  and name  HB#  )  1.8  0.0  3.2
assign (resid   33  and name  HB# )(resid   67  and name  HN  )  1.8  0.0  3.2
assign (resid   33  and name  HB# )(resid   69  and name  HG##  )  1.8  0.0  3.2
assign (resid   33  and name  HD1# )(resid   38  and name  HA  )  1.8  0.0  3.2
assign (resid   33  and name  HD1# )(resid   38  and name  HG#  )  1.8  0.0  3.2
assign (resid   33  and name  HD2# )(resid   38  and name  HA  )  1.8  0.0  3.2
assign (resid   33  and name  HD## )(resid   38  and name  HB#  )  1.8  0.0  3.2
assign (resid   33  and name  HD## )(resid   38  and name  HG#  )  1.8  0.0  3.2
assign (resid   33  and name  HD## )(resid   52  and name  HD#  )  1.8  0.0  3.2
assign (resid   33  and name  HD## )(resid   69  and name  HG##  )  1.8  0.0  3.2
assign (resid   33  and name  HG )(resid   38  and name  HB#  )  1.8  0.0  3.2
assign (resid   33  and name  HG )(resid   38  and name  HD#  )  1.8  0.0  3.2
assign (resid   33  and name  HN )(resid   66  and name  HG##  )  1.8  0.0  3.2
assign (resid   33  and name  HN )(resid   67  and name  HN  )  1.8  0.0  2.2
assign (resid   33  and name  HN )(resid   68  and name  HA  )  1.8  0.0  2.2
assign (resid   34  and name  HA )(resid   67  and name  HN  )  1.8  0.0  2.2
assign (resid   34  and name  HB# )(resid   41  and name  HD##  )  1.8  0.0  3.2
assign (resid   34  and name  HB# )(resid   61  and name  HG1#  )  1.8  0.0  3.2
assign (resid   34  and name  HN )(resid   39  and name  HN  )  1.8  0.0  3.2
assign (resid   34  and name  HN )(resid   41  and name  HD1#  )  1.8  0.0  3.2
assign (resid   34  and name  HN )(resid   41  and name  HD##  )  1.8  0.0  3.2
assign (resid   35  and name  HD# )(resid   36  and name  HN  )  1.8  0.0  3.2
assign (resid   35  and name  HD# )(resid   41  and name  HD1#  )  1.8  0.0  3.2
assign (resid   35  and name  HD# )(resid   41  and name  HD2#  )  1.8  0.0  3.2
assign (resid   35  and name  HD# )(resid   61  and name  HD1#  )  1.8  0.0  3.2
assign (resid   35  and name  HD# )(resid   61  and name  HG1#  )  1.8  0.0  3.2
assign (resid   35  and name  HD# )(resid   61  and name  HG2#  )  1.8  0.0  3.2
assign (resid   35  and name  HD# )(resid   66  and name  HA  )  1.8  0.0  3.2
assign (resid   35  and name  HD# )(resid   67  and name  HN  )  1.8  0.0  3.2
assign (resid   36  and name  HB# )(resid   37  and name  HN  )  1.8  0.0  2.7
assign (resid   36  and name  HN )(resid   37  and name  HN  )  1.8  0.0  3.2
assign (resid   37  and name  HA )(resid   39  and name  HG#  )  1.8  0.0  3.2
assign (resid   37  and name  HB# )(resid   39  and name  HG#  )  1.8  0.0  3.2
assign (resid   39  and name  HA )(resid   40  and name  HD#  )  1.8  0.0  2.1
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assign (resid   39  and name  HB# )(resid   41  and name  HD##  )  1.8  0.0  3.2
assign (resid   40  and name  HB# )(resid   41  and name  HN  )  1.8  0.0  2.7
assign (resid   41  and name  HA )(resid   54  and name  HA  )  1.8  0.0  3.2
assign (resid   41  and name  HB# )(resid   42  and name  HN  )  1.8  0.0  2.7
assign (resid   41  and name  HB# )(resid   52  and name  HA  )  1.8  0.0  3.2
assign (resid   41  and name  HB# )(resid   52  and name  HB#  )  1.8  0.0  3.2
assign (resid   41  and name  HB# )(resid   52  and name  HD#  )  1.8  0.0  3.2
assign (resid   41  and name  HB# )(resid   53  and name  HN  )  1.8  0.0  3.2
assign (resid   41  and name  HD1# )(resid   52  and name  HB#  )  1.8  0.0  3.2
assign (resid   41  and name  HD1# )(resid   54  and name  HB#  )  1.8  0.0  3.2
assign (resid   41  and name  HD1# )(resid   61  and name  HG1#  )  1.8  0.0  3.2
assign (resid   41  and name  HD2# )(resid   52  and name  HB#  )  1.8  0.0  3.2
assign (resid   41  and name  HD2# )(resid   54  and name  HB#  )  1.8  0.0  3.2
assign (resid   41  and name  HD2# )(resid   61  and name  HG1#  )  1.8  0.0  3.2
assign (resid   41  and name  HD2# )(resid   66  and name  HG##  )  1.8  0.0  3.2
assign (resid   41  and name  HD## )(resid   42  and name  HN  )  1.8  0.0  3.2
assign (resid   41  and name  HD## )(resid   52  and name  HD#  )  1.8  0.0  3.2
assign (resid   41  and name  HD## )(resid   52  and name  HN  )  1.8  0.0  3.2
assign (resid   41  and name  HD## )(resid   53  and name  HA  )  1.8  0.0  3.2
assign (resid   41  and name  HD## )(resid   54  and name  HN  )  1.8  0.0  3.2
assign (resid   41  and name  HD## )(resid   66  and name  HA  )  1.8  0.0  3.2
assign (resid   41  and name  HD## )(resid   66  and name  HG1#  )  1.8  0.0  3.2
assign (resid   41  and name  HD## )(resid   66  and name  HG2#  )  1.8  0.0  3.2
assign (resid   41  and name  HD## )(resid   67  and name  HN  )  1.8  0.0  3.2
assign (resid   42  and name  HA )(resid   43  and name  HN  )  1.8  0.0  1.7
assign (resid   42  and name  HB# )(resid   43  and name  HN  )  1.8  0.0  2.7
assign (resid   42  and name  HB# )(resid   54  and name  HA  )  1.8  0.0  3.2
assign (resid   42  and name  HG# )(resid   43  and name  HN  )  1.8  0.0  3.2
assign (resid   42  and name  HG# )(resid   44  and name  HD##  )  1.8  0.0  3.2
assign (resid   42  and name  HN )(resid   44  and name  HD##  )  1.8  0.0  3.2
assign (resid   42  and name  HN )(resid   44  and name  HG  )  1.8  0.0  3.2
assign (resid   43  and name  HA )(resid   44  and name  HN  )  1.8  0.0  1.7
assign (resid   43  and name  HA )(resid   52  and name  HA  )  1.8  0.0  2.2
assign (resid   43  and name  HA )(resid   52  and name  HD#  )  1.8  0.0  3.2
assign (resid   43  and name  HA )(resid   52  and name  HE#  )  1.8  0.0  3.2
assign (resid   43  and name  HA )(resid   53  and name  HN  )  1.8  0.0  2.2
assign (resid   43  and name  HG1# )(resid   44  and name  HN  )  1.8  0.0  3.2
assign (resid   43  and name  HG1# )(resid   52  and name  HA  )  1.8  0.0  3.2
assign (resid   43  and name  HG1# )(resid   52  and name  HD#  )  1.8  0.0  3.2
assign (resid   43  and name  HG1# )(resid   52  and name  HE#  )  1.8  0.0  3.2
assign (resid   43  and name  HG2# )(resid   44  and name  HN  )  1.8  0.0  3.2
assign (resid   43  and name  HG2# )(resid   52  and name  HA  )  1.8  0.0  3.2
assign (resid   43  and name  HG2# )(resid   52  and name  HD#  )  1.8  0.0  3.2
assign (resid   43  and name  HG2# )(resid   52  and name  HE#  )  1.8  0.0  3.2
assign (resid   43  and name  HG## )(resid   45  and name  HE#  )  1.8  0.0  3.2
assign (resid   43  and name  HG## )(resid   45  and name  HG#  )  1.8  0.0  3.2
assign (resid   44  and name  HA )(resid   45  and name  HN  )  1.8  0.0  1.7
assign (resid   44  and name  HB# )(resid   51  and name  HB#  )  1.8  0.0  3.2
assign (resid   44  and name  HB# )(resid   52  and name  HA  )  1.8  0.0  3.2
assign (resid   44  and name  HD2# )(resid   51  and name  HB#  )  1.8  0.0  3.2
assign (resid   44  and name  HD## )(resid   45  and name  HN  )  1.8  0.0  3.2
assign (resid   44  and name  HD## )(resid   51  and name  HB#  )  1.8  0.0  3.2
assign (resid   44  and name  HD## )(resid   52  and name  HA  )  1.8  0.0  3.2
assign (resid   44  and name  HD## )(resid   53  and name  HA  )  1.8  0.0  3.2
assign (resid   44  and name  HD## )(resid   53  and name  HB#  )  1.8  0.0  3.2
assign (resid   44  and name  HD## )(resid   53  and name  HD#  )  1.8  0.0  3.2
assign (resid   44  and name  HD## )(resid   53  and name  HE#  )  1.8  0.0  3.2
assign (resid   44  and name  HD## )(resid   53  and name  HN  )  1.8  0.0  3.2
assign (resid   44  and name  HD## )(resid   54  and name  HA  )  1.8  0.0  3.2
assign (resid   44  and name  HD## )(resid   54  and name  HN  )  1.8  0.0  3.2
assign (resid   44  and name  HG )(resid   52  and name  HA  )  1.8  0.0  3.2
assign (resid   44  and name  HN )(resid   51  and name  HB#  )  1.8  0.0  3.2
assign (resid   44  and name  HN )(resid   51  and name  HN  )  1.8  0.0  2.2
assign (resid   44  and name  HN )(resid   52  and name  HA  )  1.8  0.0  2.2
assign (resid   45  and name  HA )(resid   46  and name  HN  )  1.8  0.0  1.7
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assign (resid   45  and name  HA )(resid   50  and name  HG1#  )  1.8  0.0  3.2
assign (resid   45  and name  HA )(resid   50  and name  HG2#  )  1.8  0.0  3.2
assign (resid   45  and name  HA )(resid   51  and name  HN  )  1.8  0.0  2.2
assign (resid   45  and name  HB# )(resid   46  and name  HN  )  1.8  0.0  2.7
assign (resid   45  and name  HB# )(resid   50  and name  HG##  )  1.8  0.0  3.2
assign (resid   45  and name  HG# )(resid   50  and name  HG##  )  1.8  0.0  3.2
assign (resid   46  and name  HB# )(resid   47  and name  HN  )  1.8  0.0  2.7
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assign (resid   46  and name  HN )(resid   49  and name  HN  )  1.8  0.0  2.2
assign (resid   47  and name  HB# )(resid   48  and name  HN  )  1.8  0.0  2.7
assign (resid   47  and name  HN )(resid   48  and name  HN  )  1.8  0.0  3.2
assign (resid   48  and name  HN )(resid   49  and name  HN  )  1.8  0.0  3.2
assign (resid   49  and name  HA )(resid   50  and name  HN  )  1.8  0.0  1.7
assign (resid   49  and name  HB# )(resid   50  and name  HN  )  1.8  0.0  2.7
assign (resid   50  and name  HA )(resid   51  and name  HN  )  1.8  0.0  1.7
assign (resid   50  and name  HB )(resid   51  and name  HN  )  1.8  0.0  3.2
assign (resid   50  and name  HG2# )(resid   51  and name  HN  )  1.8  0.0  3.2
assign (resid   50  and name  HG## )(resid   51  and name  HN  )  1.8  0.0  3.2
assign (resid   50  and name  HG## )(resid   52  and name  HD#  )  1.8  0.0  3.2
assign (resid   50  and name  HG## )(resid   52  and name  HE#  )  1.8  0.0  3.2
assign (resid   51  and name  HA )(resid   52  and name  HN  )  1.8  0.0  1.7
assign (resid   51  and name  HB# )(resid   52  and name  HN  )  1.8  0.0  2.7
assign (resid   52  and name  HA )(resid   53  and name  HN  )  1.8  0.0  1.7
assign (resid   52  and name  HB# )(resid   53  and name  HN  )  1.8  0.0  2.7
assign (resid   52  and name  HD# )(resid   53  and name  HN  )  1.8  0.0  3.2
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assign (resid   53  and name  HA )(resid   61  and name  HN  )  1.8  0.0  3.2
assign (resid   53  and name  HB# )(resid   54  and name  HN  )  1.8  0.0  2.7
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assign (resid   53  and name  HD# )(resid   66  and name  HG1#  )  1.8  0.0  3.2
assign (resid   53  and name  HD# )(resid   66  and name  HG2#  )  1.8  0.0  3.2
assign (resid   53  and name  HE# )(resid   55  and name  HA  )  1.8  0.0  3.2
assign (resid   53  and name  HE# )(resid   55  and name  HG#  )  1.8  0.0  3.2
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assign (resid   54  and name  HN )(resid   59  and name  HN  )  1.8  0.0  3.2
assign (resid   55  and name  HB# )(resid   56  and name  HN  )  1.8  0.0  2.7
assign (resid   56  and name  HB# )(resid   57  and name  HN  )  1.8  0.0  2.7
assign (resid   56  and name  HN )(resid   57  and name  HN  )  1.8  0.0  3.2
assign (resid   57  and name  HN )(resid   58  and name  HN  )  1.8  0.0  3.2
assign (resid   58  and name  HB# )(resid   61  and name  HD1#  )  1.8  0.0  3.2
assign (resid   58  and name  HN )(resid   59  and name  HN  )  1.8  0.0  3.2
assign (resid   60  and name  HB# )(resid   61  and name  HN  )  1.8  0.0  2.7
assign (resid   60  and name  HD## )(resid   61  and name  HN  )  1.8  0.0  3.2
assign (resid   61  and name  HB )(resid   66  and name  HG##  )  1.8  0.0  3.2
assign (resid   61  and name  HD1# )(resid   62  and name  HN  )  1.8  0.0  3.2
assign (resid   61  and name  HG2# )(resid   62  and name  HN  )  1.8  0.0  3.2
assign (resid   61  and name  HG2# )(resid   65  and name  HB#  )  1.8  0.0  3.2
assign (resid   61  and name  HG2# )(resid   65  and name  HD#  )  1.8  0.0  3.2
assign (resid   61  and name  HG2# )(resid   66  and name  HA  )  1.8  0.0  3.2
assign (resid   61  and name  HG2# )(resid   66  and name  HG1#  )  1.8  0.0  3.2
assign (resid   61  and name  HG2# )(resid   66  and name  HG2#  )  1.8  0.0  3.2
assign (resid   61  and name  HG2# )(resid   66  and name  HN  )  1.8  0.0  3.2
assign (resid   61  and name  HG2# )(resid   67  and name  HN  )  1.8  0.0  3.2
assign (resid   62  and name  HB# )(resid   63  and name  HN  )  1.8  0.0  2.7
assign (resid   62  and name  HB# )(resid   64  and name  HN  )  1.8  0.0  3.2
assign (resid   62  and name  HB# )(resid   65  and name  HB#  )  1.8  0.0  3.2
assign (resid   62  and name  HB# )(resid   65  and name  HG#  )  1.8  0.0  3.2
assign (resid   62  and name  HB# )(resid   65  and name  HN  )  1.8  0.0  3.2
assign (resid   63  and name  HA )(resid   66  and name  HB  )  1.8  0.0  3.2
assign (resid   63  and name  HA )(resid   66  and name  HG1#  )  1.8  0.0  3.2
assign (resid   63  and name  HA )(resid   66  and name  HG2#  )  1.8  0.0  3.2
assign (resid   63  and name  HA )(resid   66  and name  HN  )  1.8  0.0  3.2
assign (resid   63  and name  HB# )(resid   64  and name  HN  )  1.8  0.0  2.7
assign (resid   63  and name  HN )(resid   64  and name  HN  )  1.8  0.0  3.2
assign (resid   64  and name  HB# )(resid   66  and name  HN  )  1.8  0.0  3.2
assign (resid   65  and name  HB# )(resid   66  and name  HN  )  1.8  0.0  2.7
assign (resid   65  and name  HN )(resid   66  and name  HN  )  1.8  0.0  3.2
assign (resid   66  and name  HA )(resid   67  and name  HN  )  1.8  0.0  1.7
assign (resid   66  and name  HB )(resid   67  and name  HN  )  1.8  0.0  3.2
assign (resid   66  and name  HB )(resid   68  and name  HD#  )  1.8  0.0  3.2
assign (resid   66  and name  HB )(resid   68  and name  HE#  )  1.8  0.0  3.2
assign (resid   66  and name  HG1# )(resid   67  and name  HN  )  1.8  0.0  3.2
assign (resid   66  and name  HG1# )(resid   68  and name  HD#  )  1.8  0.0  3.2
assign (resid   66  and name  HG2# )(resid   67  and name  HN  )  1.8  0.0  3.2
assign (resid   66  and name  HG2# )(resid   68  and name  HD#  )  1.8  0.0  3.2
assign (resid   66  and name  HG## )(resid   68  and name  HA  )  1.8  0.0  3.2
assign (resid   66  and name  HG## )(resid   68  and name  HB#  )  1.8  0.0  3.2
assign (resid   66  and name  HG## )(resid   68  and name  HE#  )  1.8  0.0  3.2
assign (resid   66  and name  HG## )(resid   68  and name  HN  )  1.8  0.0  3.2
assign (resid   66  and name  HG## )(resid   68  and name  HZ  )  1.8  0.0  3.2
assign (resid   67  and name  HA )(resid   68  and name  HN  )  1.8  0.0  1.7
assign (resid   67  and name  HD2# )(resid   69  and name  HG##  )  1.8  0.0  3.2
assign (resid   68  and name  HA )(resid   69  and name  HN  )  1.8  0.0  1.7
assign (resid   69  and name  HA )(resid   70  and name  HN  )  1.8  0.0  1.7
assign (resid   69  and name  HB )(resid   70  and name  HN  )  1.8  0.0  3.2
assign (resid   69  and name  HG1# )(resid   70  and name  HN  )  1.8  0.0  3.2
assign (resid   69  and name  HG2# )(resid   70  and name  HN  )  1.8  0.0  3.2
assign (resid   69  and name  HG## )(resid   71  and name  HB#  )  1.8  0.0  3.2
assign (resid   70  and name  HA )(resid   71  and name  HN  )  1.8  0.0  1.7
assign (resid   70  and name  HB )(resid   71  and name  HN  )  1.8  0.0  3.2
assign (resid   70  and name  HG2# )(resid   71  and name  HN  )  1.8  0.0  3.2
assign (resid   71  and name  HA )(resid   72  and name  HN  )  1.8  0.0  1.7
assign (resid   71  and name  HB# )(resid   72  and name  HN  )  1.8  0.0  2.7
assign (resid   71  and name  HN )(resid   72  and name  HN  )  1.8  0.0  3.2

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    MET   1          HT1       MET   1  14.957   3.289   7.101
    2   2H    MET   1          HT2       MET   1  16.259   3.588   6.054
    3   3H    MET   1          HT3       MET   1  16.006   2.027   6.664
    4    HA   MET   1           HA       MET   1  15.297   2.154   4.391
    5   1HB   MET   1          HB2       MET   1  14.104   0.660   5.919
    6   2HB   MET   1          HB1       MET   1  13.015   1.964   6.369
    7   1HG   MET   1          HG2       MET   1  12.044   2.000   4.189
    8   2HG   MET   1          HG1       MET   1  13.264   0.885   3.572
    9   1HE   MET   1          HE1       MET   1  13.374  -1.683   4.154
   10   2HE   MET   1          HE2       MET   1  12.374  -2.442   5.394
   11   3HE   MET   1          HE3       MET   1  13.563  -1.221   5.846
   12    H    GLU   2           HN       GLU   2  13.025   4.110   6.342
   13    HA   GLU   2           HA       GLU   2  11.839   5.986   5.901
   14   1HB   GLU   2          HB2       GLU   2  14.252   6.488   4.176
   15   2HB   GLU   2          HB1       GLU   2  12.919   7.629   4.236
   16   1HG   GLU   2          HG2       GLU   2  14.563   8.399   5.744
   17   2HG   GLU   2          HG1       GLU   2  13.246   7.746   6.715
   18    H    ILE   3           HN       ILE   3  11.136   7.445   3.819
   19    HA   ILE   3           HA       ILE   3  10.309   5.621   1.669
   20    HB   ILE   3           HB       ILE   3   8.511   7.708   2.936
   21   1HG1  ILE   3          HG12      ILE   3   8.322   4.685   3.019
   22   2HG1  ILE   3          HG11      ILE   3   8.804   5.709   4.367
   23   1HG2  ILE   3          HG21      ILE   3   7.992   5.722   0.721
   24   2HG2  ILE   3          HG22      ILE   3   8.129   7.472   0.548
   25   3HG2  ILE   3          HG23      ILE   3   6.781   6.779   1.450
   26   1HD1  ILE   3          HD11      ILE   3   6.118   5.729   3.015
   27   2HD1  ILE   3          HD12      ILE   3   6.599   6.736   4.381
   28   3HD1  ILE   3          HD13      ILE   3   6.496   4.984   4.569
   29    H    THR   4           HN       THR   4  11.205   6.383  -0.140
   30    HA   THR   4           HA       THR   4  11.150   9.271  -0.633
   31    HB   THR   4           HB       THR   4  13.460   9.099  -1.637
   32    HG1  THR   4           HG1      THR   4  13.199   6.593  -1.333
   33   1HG2  THR   4          HG21      THR   4  13.122  10.183   0.513
   34   2HG2  THR   4          HG22      THR   4  14.634   9.273   0.522
   35   3HG2  THR   4          HG23      THR   4  13.209   8.624   1.334
   36    H    CYS   5           HN       CYS   5  11.248   9.852  -2.839
   37    HA   CYS   5           HA       CYS   5   9.936   8.119  -4.634
   38   1HB   CYS   5          HB2       CYS   5   9.706  10.525  -4.854
   39   2HB   CYS   5          HB1       CYS   5  11.441  10.713  -5.073
   40    HA   PRO   6           HA       PRO   6  13.425   5.771  -6.137
   41   1HB   PRO   6          HB2       PRO   6  11.797   5.370  -8.563
   42   2HB   PRO   6          HB1       PRO   6  12.423   4.177  -7.421
   43   1HG   PRO   6          HG2       PRO   6   9.815   4.776  -7.517
   44   2HG   PRO   6          HG1       PRO   6  10.630   4.415  -5.983
   45   1HD   PRO   6          HD2       PRO   6   9.868   7.076  -7.141
   46   2HD   PRO   6          HD1       PRO   6   9.722   6.492  -5.469
   47    H    VAL   7           HN       VAL   7  12.267   8.638  -7.387
   48    HA   VAL   7           HA       VAL   7  14.343   8.745  -9.469
   49    HB   VAL   7           HB       VAL   7  11.953  10.575  -9.156
   50   1HG1  VAL   7          HG11      VAL   7  12.547  11.307 -11.439
   51   2HG1  VAL   7          HG12      VAL   7  13.998  10.307 -11.355
   52   3HG1  VAL   7          HG13      VAL   7  13.801  11.670 -10.253
   53   1HG2  VAL   7          HG21      VAL   7  11.034   9.435 -11.127
   54   2HG2  VAL   7          HG22      VAL   7  11.208   8.344  -9.753
   55   3HG2  VAL   7          HG23      VAL   7  12.372   8.289 -11.077
   56    H    CYS   8           HN       CYS   8  12.656  10.913  -7.199
   57    HA   CYS   8           HA       CYS   8  15.215  12.273  -6.747
   58   1HB   CYS   8          HB2       CYS   8  13.825  14.162  -5.905
   59   2HB   CYS   8          HB1       CYS   8  13.530  13.767  -7.595
   60    H    HIS   9           HN       HIS   9  16.096  11.002  -5.182
   61    HA   HIS   9           HA       HIS   9  14.714  10.183  -2.836
   62   1HB   HIS   9          HB2       HIS   9  16.770   9.063  -3.683
   63   2HB   HIS   9          HB1       HIS   9  17.701  10.490  -3.253
   64    HD1  HIS   9           HD1      HIS   9  16.450   7.324  -1.892
   65    HD2  HIS   9           HD2      HIS   9  17.858  10.929  -0.376
   66    HE1  HIS   9           HE1      HIS   9  17.008   6.875   0.514
   67    HE2  HIS   9           HE2      HIS   9  17.983   9.034   1.378
   68    H    HIS  10           HN       HIS  10  13.683  12.161  -2.197
   69    HA   HIS  10           HA       HIS  10  15.488  13.853  -0.591
   70   1HB   HIS  10          HB2       HIS  10  12.769  14.529  -1.735
   71   2HB   HIS  10          HB1       HIS  10  13.627  15.541  -0.586
   72    HD1  HIS  10           HD1      HIS  10  16.442  14.925  -2.281
   73    HD2  HIS  10           HD2      HIS  10  12.887  16.658  -3.568
   74    HE1  HIS  10           HE1      HIS  10  17.039  16.293  -4.306
   75    HE2  HIS  10           HE2      HIS  10  14.921  17.510  -4.912
   76    H    ALA  11           HN       ALA  11  12.002  13.532  -0.401
   77    HA   ALA  11           HA       ALA  11  11.893  11.669   1.721
   78   1HB   ALA  11          HB1       ALA  11  11.518  14.562   2.506
   79   2HB   ALA  11          HB2       ALA  11  12.851  13.523   3.009
   80   3HB   ALA  11          HB3       ALA  11  11.206  13.162   3.533
   81    H    LEU  12           HN       LEU  12   9.943  10.764   1.507
   82    HA   LEU  12           HA       LEU  12   7.781  12.339   0.292
   83   1HB   LEU  12          HB2       LEU  12   8.476   9.451   0.348
   84   2HB   LEU  12          HB1       LEU  12   6.772   9.856   0.336
   85    HG   LEU  12           HG       LEU  12   6.975  10.971  -1.781
   86   1HD1  LEU  12          HD11      LEU  12   9.936  10.445  -1.599
   87   2HD1  LEU  12          HD12      LEU  12   9.150  12.019  -1.468
   88   3HD1  LEU  12          HD13      LEU  12   9.086  11.126  -2.988
   89   1HD2  LEU  12          HD21      LEU  12   7.700   9.115  -3.195
   90   2HD2  LEU  12          HD22      LEU  12   6.718   8.558  -1.841
   91   3HD2  LEU  12          HD23      LEU  12   8.470   8.356  -1.801
   92    H    GLU  13           HN       GLU  13   5.997  12.852   1.427
   93    HA   GLU  13           HA       GLU  13   6.011  12.101   4.251
   94   1HB   GLU  13          HB2       GLU  13   5.914  14.507   3.619
   95   2HB   GLU  13          HB1       GLU  13   4.357  14.212   2.859
   96   1HG   GLU  13          HG2       GLU  13   3.372  13.638   4.967
   97   2HG   GLU  13          HG1       GLU  13   4.939  13.726   5.768
   98    H    ARG  14           HN       ARG  14   4.456  10.935   5.194
   99    HA   ARG  14           HA       ARG  14   2.495   9.668   3.422
  100   1HB   ARG  14          HB2       ARG  14   4.154   8.328   4.816
  101   2HB   ARG  14          HB1       ARG  14   3.258   8.857   6.232
  102   1HG   ARG  14          HG2       ARG  14   2.455   6.715   5.726
  103   2HG   ARG  14          HG1       ARG  14   1.215   7.831   5.160
  104   1HD   ARG  14          HD2       ARG  14   2.172   7.666   2.883
  105   2HD   ARG  14          HD1       ARG  14   3.305   6.458   3.483
  106    HE   ARG  14           HE       ARG  14   0.542   6.072   2.829
  107   1HH1  ARG  14          HH11      ARG  14   3.138   4.904   4.885
  108   2HH1  ARG  14          HH12      ARG  14   2.520   3.284   4.948
  109   1HH2  ARG  14          HH21      ARG  14  -0.271   3.937   2.916
  110   2HH2  ARG  14          HH22      ARG  14   0.578   2.737   3.832
  111    H    ASN  15           HN       ASN  15   0.358  10.149   3.605
  112    HA   ASN  15           HA       ASN  15  -0.508  11.649   6.000
  113   1HB   ASN  15          HB2       ASN  15  -0.804  12.802   3.810
  114   2HB   ASN  15          HB1       ASN  15  -1.816  11.470   3.267
  115   1HD2  ASN  15          HD21      ASN  15  -3.629  12.682   2.946
  116   2HD2  ASN  15          HD22      ASN  15  -4.536  13.393   4.239
  117    H    GLY  16           HN       GLY  16  -0.375   8.638   4.934
  118   1HA   GLY  16          HA2       GLY  16  -1.578   6.777   5.794
  119   2HA   GLY  16          HA1       GLY  16  -2.959   7.843   6.061
  120    H    ASP  17           HN       ASP  17  -2.437   5.274   4.421
  121    HA   ASP  17           HA       ASP  17  -3.128   4.348   2.468
  122   1HB   ASP  17          HB2       ASP  17  -5.247   5.355   2.612
  123   2HB   ASP  17          HB1       ASP  17  -4.606   6.966   2.318
  124    H    THR  18           HN       THR  18  -2.310   7.774   1.778
  125    HA   THR  18           HA       THR  18  -0.622   6.781  -0.429
  126    HB   THR  18           HB       THR  18  -2.359   9.257  -0.337
  127    HG1  THR  18           HG1      THR  18  -3.447   7.304  -0.876
  128   1HG2  THR  18          HG21      THR  18  -0.419   8.383  -2.484
  129   2HG2  THR  18          HG22      THR  18  -0.272   9.813  -1.460
  130   3HG2  THR  18          HG23      THR  18  -1.584   9.700  -2.631
  131    H    ALA  19           HN       ALA  19   1.357   7.709  -0.722
  132    HA   ALA  19           HA       ALA  19   2.219   9.733   1.243
  133   1HB   ALA  19          HB1       ALA  19   3.459   7.618   1.381
  134   2HB   ALA  19          HB2       ALA  19   4.500   8.941   0.851
  135   3HB   ALA  19          HB3       ALA  19   3.898   7.767  -0.320
  136    H    HIS  20           HN       HIS  20   2.989  11.665   0.473
  137    HA   HIS  20           HA       HIS  20   2.510  12.094  -2.378
  138   1HB   HIS  20          HB2       HIS  20   1.404  13.565  -0.692
  139   2HB   HIS  20          HB1       HIS  20   2.993  14.159  -0.222
  140    HD1  HIS  20           HD1      HIS  20   0.620  14.148  -3.172
  141    HD2  HIS  20           HD2      HIS  20   4.013  16.155  -1.812
  142    HE1  HIS  20           HE1      HIS  20   0.926  16.106  -4.725
  143    HE2  HIS  20           HE2      HIS  20   2.878  17.398  -3.786
  144    H    CYS  21           HN       CYS  21   4.038  12.440  -3.798
  145    HA   CYS  21           HA       CYS  21   6.807  12.644  -2.944
  146   1HB   CYS  21          HB2       CYS  21   6.141  11.100  -4.771
  147   2HB   CYS  21          HB1       CYS  21   5.599  12.478  -5.718
  148    H    GLU  22           HN       GLU  22   7.676  14.532  -2.606
  149    HA   GLU  22           HA       GLU  22   6.560  17.027  -2.927
  150   1HB   GLU  22          HB2       GLU  22   9.191  17.642  -2.925
  151   2HB   GLU  22          HB1       GLU  22   8.300  17.171  -1.489
  152   1HG   GLU  22          HG2       GLU  22  10.436  15.999  -1.641
  153   2HG   GLU  22          HG1       GLU  22   9.076  14.886  -1.708
  154    H    THR  23           HN       THR  23   9.620  17.013  -4.558
  155    HA   THR  23           HA       THR  23   8.705  18.089  -6.994
  156    HB   THR  23           HB       THR  23  10.883  17.522  -7.895
  157    HG1  THR  23           HG1      THR  23  12.239  16.047  -6.863
  158   1HG2  THR  23          HG21      THR  23  10.919  19.353  -6.288
  159   2HG2  THR  23          HG22      THR  23  12.397  18.399  -6.145
  160   3HG2  THR  23          HG23      THR  23  11.106  18.208  -4.958
  161    H    CYS  24           HN       CYS  24   8.215  17.080  -8.938
  162    HA   CYS  24           HA       CYS  24   7.785  15.317 -10.406
  163   1HB   CYS  24          HB2       CYS  24   7.607  13.521  -7.968
  164   2HB   CYS  24          HB1       CYS  24   7.286  13.011  -9.619
  165    H    ALA  25           HN       ALA  25   6.114  16.046  -7.442
  166    HA   ALA  25           HA       ALA  25   3.931  16.455  -6.955
  167   1HB   ALA  25          HB1       ALA  25   3.669  16.757  -9.947
  168   2HB   ALA  25          HB2       ALA  25   4.114  18.030  -8.810
  169   3HB   ALA  25          HB3       ALA  25   2.504  17.313  -8.747
  170    H    LYS  26           HN       LYS  26   4.781  13.746  -7.320
  171    HA   LYS  26           HA       LYS  26   2.446  12.419  -8.495
  172   1HB   LYS  26          HB2       LYS  26   4.499  11.595  -9.386
  173   2HB   LYS  26          HB1       LYS  26   5.223  11.472  -7.792
  174   1HG   LYS  26          HG2       LYS  26   4.742   9.274  -8.522
  175   2HG   LYS  26          HG1       LYS  26   3.568   9.675  -7.271
  176   1HD   LYS  26          HD2       LYS  26   1.877  10.114  -8.951
  177   2HD   LYS  26          HD1       LYS  26   3.050   9.831 -10.240
  178   1HE   LYS  26          HE2       LYS  26   3.334   7.515  -9.424
  179   2HE   LYS  26          HE1       LYS  26   2.097   7.818  -8.206
  180   1HZ   LYS  26          HZ1       LYS  26   1.262   6.657 -10.196
  181   2HZ   LYS  26          HZ2       LYS  26   1.642   8.018 -11.135
  182   3HZ   LYS  26          HZ3       LYS  26   0.471   8.131  -9.909
  183    H    ASP  27           HN       ASP  27   1.123  11.108  -7.275
  184    HA   ASP  27           HA       ASP  27   1.719  10.970  -4.398
  185   1HB   ASP  27          HB2       ASP  27  -0.923  10.874  -5.862
  186   2HB   ASP  27          HB1       ASP  27  -0.751  10.471  -4.157
  187    H    PHE  28           HN       PHE  28   2.212   9.062  -3.582
  188    HA   PHE  28           HA       PHE  28   1.802   6.685  -5.265
  189   1HB   PHE  28          HB2       PHE  28   3.641   7.124  -2.901
  190   2HB   PHE  28          HB1       PHE  28   3.507   5.626  -3.811
  191    HD1  PHE  28           HD1      PHE  28   4.216   5.594  -6.214
  192    HD2  PHE  28           HD2      PHE  28   5.013   8.880  -3.630
  193    HE1  PHE  28           HE1      PHE  28   5.983   6.367  -7.744
  194    HE2  PHE  28           HE2      PHE  28   6.777   9.657  -5.155
  195    HZ   PHE  28           HZ       PHE  28   7.266   8.398  -7.208
  196    H    SER  29           HN       SER  29  -0.137   5.800  -4.775
  197    HA   SER  29           HA       SER  29  -1.062   5.699  -2.040
  198   1HB   SER  29          HB2       SER  29  -2.209   4.464  -4.556
  199   2HB   SER  29          HB1       SER  29  -3.018   4.544  -2.989
  200    HG   SER  29           HG       SER  29  -2.752   6.889  -3.171
  201    H    LEU  30           HN       LEU  30  -0.692   4.104  -0.648
  202    HA   LEU  30           HA       LEU  30   0.649   1.697  -1.668
  203   1HB   LEU  30          HB2       LEU  30   0.612   2.809   1.143
  204   2HB   LEU  30          HB1       LEU  30   1.472   1.373   0.625
  205    HG   LEU  30           HG       LEU  30   2.660   3.051  -1.020
  206   1HD1  LEU  30          HD11      LEU  30   1.260   4.973  -0.443
  207   2HD1  LEU  30          HD12      LEU  30   2.959   5.260  -0.069
  208   3HD1  LEU  30          HD13      LEU  30   1.825   4.875   1.226
  209   1HD2  LEU  30          HD21      LEU  30   4.408   3.376   0.653
  210   2HD2  LEU  30          HD22      LEU  30   3.764   1.735   0.710
  211   3HD2  LEU  30          HD23      LEU  30   3.279   2.917   1.928
  212    H    GLN  31           HN       GLN  31  -0.177  -0.299  -1.278
  213    HA   GLN  31           HA       GLN  31  -2.791  -0.344   0.079
  214   1HB   GLN  31          HB2       GLN  31  -1.748  -2.218  -2.054
  215   2HB   GLN  31          HB1       GLN  31  -3.336  -2.291  -1.306
  216   1HG   GLN  31          HG2       GLN  31  -3.798  -0.022  -2.218
  217   2HG   GLN  31          HG1       GLN  31  -2.265  -0.117  -3.083
  218   1HE2  GLN  31          HE21      GLN  31  -3.179  -0.043  -5.109
  219   2HE2  GLN  31          HE22      GLN  31  -4.120  -1.340  -5.761
  220    H    ALA  32           HN       ALA  32  -3.213  -1.922   1.570
  221    HA   ALA  32           HA       ALA  32  -0.865  -3.027   2.855
  222   1HB   ALA  32          HB1       ALA  32  -2.703  -3.752   4.544
  223   2HB   ALA  32          HB2       ALA  32  -3.729  -2.647   3.633
  224   3HB   ALA  32          HB3       ALA  32  -2.269  -2.052   4.414
  225    H    LEU  33           HN       LEU  33  -0.130  -4.869   2.059
  226    HA   LEU  33           HA       LEU  33  -2.040  -6.989   1.308
  227   1HB   LEU  33          HB2       LEU  33   0.631  -6.171   0.254
  228   2HB   LEU  33          HB1       LEU  33   0.216  -7.869   0.203
  229    HG   LEU  33           HG       LEU  33  -1.686  -7.413  -1.233
  230   1HD1  LEU  33          HD11      LEU  33  -0.887  -4.506  -1.063
  231   2HD1  LEU  33          HD12      LEU  33  -2.325  -5.219  -0.331
  232   3HD1  LEU  33          HD13      LEU  33  -2.156  -5.183  -2.086
  233   1HD2  LEU  33          HD21      LEU  33   0.483  -7.750  -2.275
  234   2HD2  LEU  33          HD22      LEU  33   0.808  -6.020  -2.180
  235   3HD2  LEU  33          HD23      LEU  33  -0.494  -6.617  -3.209
  236    H    CYS  34           HN       CYS  34  -1.477  -9.175   1.861
  237    HA   CYS  34           HA       CYS  34   0.248  -9.417   4.210
  238   1HB   CYS  34          HB2       CYS  34  -1.795 -11.264   2.972
  239   2HB   CYS  34          HB1       CYS  34  -0.674 -11.808   4.214
  240    HA   PRO  35           HA       PRO  35   3.487 -11.284   1.852
  241   1HB   PRO  35          HB2       PRO  35   4.171 -12.987   4.126
  242   2HB   PRO  35          HB1       PRO  35   5.072 -11.635   3.435
  243   1HG   PRO  35          HG2       PRO  35   3.876 -11.501   5.859
  244   2HG   PRO  35          HG1       PRO  35   4.055 -10.090   4.802
  245   1HD   PRO  35          HD2       PRO  35   1.656 -11.821   5.262
  246   2HD   PRO  35          HD1       PRO  35   1.757 -10.053   5.107
  247    H    ASP  36           HN       ASP  36   1.021 -13.200   3.358
  248    HA   ASP  36           HA       ASP  36   1.862 -15.537   1.803
  249   1HB   ASP  36          HB2       ASP  36   0.657 -16.926   3.307
  250   2HB   ASP  36          HB1       ASP  36   1.581 -15.797   4.286
  251    H    CYS  37           HN       CYS  37  -1.044 -13.598   2.577
  252    HA   CYS  37           HA       CYS  37  -2.156 -14.593   0.045
  253   1HB   CYS  37          HB2       CYS  37  -4.352 -13.739   0.837
  254   2HB   CYS  37          HB1       CYS  37  -3.683 -14.990   1.873
  255    H    ARG  38           HN       ARG  38  -1.323 -13.326  -1.491
  256    HA   ARG  38           HA       ARG  38  -0.938 -10.500  -1.026
  257   1HB   ARG  38          HB2       ARG  38   0.633 -12.055  -2.314
  258   2HB   ARG  38          HB1       ARG  38  -0.525 -11.938  -3.631
  259   1HG   ARG  38          HG2       ARG  38  -0.202  -9.554  -3.757
  260   2HG   ARG  38          HG1       ARG  38   0.868  -9.598  -2.352
  261   1HD   ARG  38          HD2       ARG  38   1.337 -10.780  -5.077
  262   2HD   ARG  38          HD1       ARG  38   2.253  -9.505  -4.272
  263    HE   ARG  38           HE       ARG  38   2.194 -12.117  -2.969
  264   1HH1  ARG  38          HH11      ARG  38   3.955  -9.901  -5.050
  265   2HH1  ARG  38          HH12      ARG  38   5.500 -10.633  -4.713
  266   1HH2  ARG  38          HH21      ARG  38   4.196 -13.091  -2.568
  267   2HH2  ARG  38          HH22      ARG  38   5.633 -12.466  -3.322
  268    H    GLN  39           HN       GLN  39  -3.103  -9.903  -0.744
  269    HA   GLN  39           HA       GLN  39  -4.467  -9.297  -3.257
  270   1HB   GLN  39          HB2       GLN  39  -5.763 -10.629  -0.863
  271   2HB   GLN  39          HB1       GLN  39  -6.664  -9.889  -2.175
  272   1HG   GLN  39          HG2       GLN  39  -5.653 -11.501  -3.736
  273   2HG   GLN  39          HG1       GLN  39  -4.833 -12.268  -2.375
  274   1HE2  GLN  39          HE21      GLN  39  -7.127 -11.816  -0.593
  275   2HE2  GLN  39          HE22      GLN  39  -8.318 -12.979  -1.055
  276    HA   PRO  40           HA       PRO  40  -5.528  -5.499  -0.970
  277   1HB   PRO  40          HB2       PRO  40  -8.390  -5.861  -1.595
  278   2HB   PRO  40          HB1       PRO  40  -7.311  -4.531  -2.019
  279   1HG   PRO  40          HG2       PRO  40  -8.167  -6.270  -3.865
  280   2HG   PRO  40          HG1       PRO  40  -6.529  -5.592  -3.920
  281   1HD   PRO  40          HD2       PRO  40  -7.433  -8.287  -2.976
  282   2HD   PRO  40          HD1       PRO  40  -6.008  -7.852  -3.943
  283    H    LEU  41           HN       LEU  41  -6.389  -8.516  -0.128
  284    HA   LEU  41           HA       LEU  41  -6.955  -9.558   1.782
  285   1HB   LEU  41          HB2       LEU  41  -6.676  -6.818   3.019
  286   2HB   LEU  41          HB1       LEU  41  -6.753  -8.332   3.900
  287    HG   LEU  41           HG       LEU  41  -4.551  -7.382   2.076
  288   1HD1  LEU  41          HD11      LEU  41  -4.535  -6.439   4.319
  289   2HD1  LEU  41          HD12      LEU  41  -3.184  -7.549   4.087
  290   3HD1  LEU  41          HD13      LEU  41  -4.597  -8.060   5.011
  291   1HD2  LEU  41          HD21      LEU  41  -4.920  -9.754   1.688
  292   2HD2  LEU  41          HD22      LEU  41  -4.855 -10.063   3.424
  293   3HD2  LEU  41          HD23      LEU  41  -3.418  -9.493   2.574
  294    H    GLN  42           HN       GLN  42  -8.457  -6.547   2.762
  295    HA   GLN  42           HA       GLN  42 -11.060  -7.249   1.851
  296   1HB   GLN  42          HB2       GLN  42 -10.451  -8.535   4.151
  297   2HB   GLN  42          HB1       GLN  42 -11.014  -7.007   4.812
  298   1HG   GLN  42          HG2       GLN  42 -12.566  -8.825   2.981
  299   2HG   GLN  42          HG1       GLN  42 -12.804  -8.643   4.717
  300   1HE2  GLN  42          HE21      GLN  42 -13.736  -6.763   5.511
  301   2HE2  GLN  42          HE22      GLN  42 -14.640  -5.688   4.497
  302    H    VAL  43           HN       VAL  43 -12.179  -5.393   1.608
  303    HA   VAL  43           HA       VAL  43 -10.660  -2.992   2.121
  304    HB   VAL  43           HB       VAL  43 -13.279  -3.334   0.651
  305   1HG1  VAL  43          HG11      VAL  43 -12.779  -1.164  -0.339
  306   2HG1  VAL  43          HG12      VAL  43 -11.325  -1.041   0.651
  307   3HG1  VAL  43          HG13      VAL  43 -12.915  -1.051   1.415
  308   1HG2  VAL  43          HG21      VAL  43 -10.452  -3.231  -0.399
  309   2HG2  VAL  43          HG22      VAL  43 -11.910  -3.214  -1.391
  310   3HG2  VAL  43          HG23      VAL  43 -11.527  -4.629  -0.411
  311    H    LEU  44           HN       LEU  44 -10.835  -2.319   4.174
  312    HA   LEU  44           HA       LEU  44 -13.483  -2.046   5.391
  313   1HB   LEU  44          HB2       LEU  44 -10.812  -1.270   6.570
  314   2HB   LEU  44          HB1       LEU  44 -12.330  -1.471   7.420
  315    HG   LEU  44           HG       LEU  44 -10.623  -3.651   6.215
  316   1HD1  LEU  44          HD11      LEU  44 -11.409  -2.991   9.048
  317   2HD1  LEU  44          HD12      LEU  44  -9.809  -2.806   8.329
  318   3HD1  LEU  44          HD13      LEU  44 -10.497  -4.415   8.546
  319   1HD2  LEU  44          HD21      LEU  44 -13.302  -3.885   7.579
  320   2HD2  LEU  44          HD22      LEU  44 -12.274  -5.223   7.066
  321   3HD2  LEU  44          HD23      LEU  44 -12.992  -4.150   5.863
  322    H    LYS  45           HN       LYS  45 -14.588  -0.201   5.108
  323    HA   LYS  45           HA       LYS  45 -13.028   2.230   4.553
  324   1HB   LYS  45          HB2       LYS  45 -15.697   1.430   3.383
  325   2HB   LYS  45          HB1       LYS  45 -14.953   3.010   3.177
  326   1HG   LYS  45          HG2       LYS  45 -13.060   1.979   2.033
  327   2HG   LYS  45          HG1       LYS  45 -13.792   0.389   2.252
  328   1HD   LYS  45          HD2       LYS  45 -14.274   1.108   0.030
  329   2HD   LYS  45          HD1       LYS  45 -15.768   1.213   0.961
  330   1HE   LYS  45          HE2       LYS  45 -15.585   3.177  -0.392
  331   2HE   LYS  45          HE1       LYS  45 -15.316   3.640   1.287
  332   1HZ   LYS  45          HZ1       LYS  45 -12.997   3.807   0.908
  333   2HZ   LYS  45          HZ2       LYS  45 -13.744   4.633  -0.367
  334   3HZ   LYS  45          HZ3       LYS  45 -13.109   3.081  -0.619
  335    H    ALA  46           HN       ALA  46 -13.504   4.019   5.648
  336    HA   ALA  46           HA       ALA  46 -15.947   4.153   7.247
  337   1HB   ALA  46          HB1       ALA  46 -14.716   4.847   9.245
  338   2HB   ALA  46          HB2       ALA  46 -13.190   4.573   8.403
  339   3HB   ALA  46          HB3       ALA  46 -14.260   3.215   8.752
  340    H    CYS  47           HN       CYS  47 -16.880   5.983   6.671
  341    HA   CYS  47           HA       CYS  47 -17.244   8.100   5.932
  342   1HB   CYS  47          HB2       CYS  47 -14.614   8.661   7.324
  343   2HB   CYS  47          HB1       CYS  47 -15.795   9.872   6.835
  344    HG   CYS  47           HG       CYS  47 -15.652   9.089   9.704
  345    H    GLY  48           HN       GLY  48 -15.763   6.234   4.226
  346   1HA   GLY  48          HA2       GLY  48 -15.207   6.661   1.941
  347   2HA   GLY  48          HA1       GLY  48 -14.563   8.224   2.424
  348    H    ALA  49           HN       ALA  49 -13.007   7.309   4.625
  349    HA   ALA  49           HA       ALA  49 -10.588   6.710   3.337
  350   1HB   ALA  49          HB1       ALA  49 -10.686   7.816   5.510
  351   2HB   ALA  49          HB2       ALA  49  -9.676   6.372   5.583
  352   3HB   ALA  49          HB3       ALA  49 -11.311   6.338   6.243
  353    H    VAL  50           HN       VAL  50  -9.303   4.798   3.364
  354    HA   VAL  50           HA       VAL  50 -10.852   2.335   3.724
  355    HB   VAL  50           HB       VAL  50 -10.978   2.900   1.364
  356   1HG1  VAL  50          HG11      VAL  50  -9.017   4.311   1.173
  357   2HG1  VAL  50          HG12      VAL  50  -8.958   3.022  -0.030
  358   3HG1  VAL  50          HG13      VAL  50  -7.965   2.919   1.424
  359   1HG2  VAL  50          HG21      VAL  50 -10.008   0.858   0.404
  360   2HG2  VAL  50          HG22      VAL  50 -10.827   0.543   1.936
  361   3HG2  VAL  50          HG23      VAL  50  -9.067   0.625   1.877
  362    H    ASP  51           HN       ASP  51  -9.779   0.654   4.538
  363    HA   ASP  51           HA       ASP  51  -6.848   0.624   4.449
  364   1HB   ASP  51          HB2       ASP  51  -7.585   1.400   6.714
  365   2HB   ASP  51          HB1       ASP  51  -8.470  -0.111   6.901
  366    H    TYR  52           HN       TYR  52  -5.998  -1.429   4.134
  367    HA   TYR  52           HA       TYR  52  -8.009  -3.430   3.395
  368   1HB   TYR  52          HB2       TYR  52  -5.083  -3.308   2.620
  369   2HB   TYR  52          HB1       TYR  52  -6.273  -4.450   2.013
  370    HD1  TYR  52           HD1      TYR  52  -8.227  -3.553   0.670
  371    HD2  TYR  52           HD2      TYR  52  -4.807  -1.201   1.599
  372    HE1  TYR  52           HE1      TYR  52  -8.815  -1.995  -1.137
  373    HE2  TYR  52           HE2      TYR  52  -5.387   0.363  -0.207
  374    HH   TYR  52           HH       TYR  52  -6.683   0.357  -2.302
  375    H    PHE  53           HN       PHE  53  -8.427  -4.872   4.871
  376    HA   PHE  53           HA       PHE  53  -6.283  -5.995   6.544
  377   1HB   PHE  53          HB2       PHE  53  -7.351  -3.853   7.536
  378   2HB   PHE  53          HB1       PHE  53  -8.776  -4.849   7.792
  379    HD1  PHE  53           HD2      PHE  53  -5.198  -4.499   8.640
  380    HD2  PHE  53           HD1      PHE  53  -8.937  -6.266   9.643
  381    HE1  PHE  53           HE2      PHE  53  -4.270  -5.235  10.794
  382    HE2  PHE  53           HE1      PHE  53  -8.016  -7.002  11.799
  383    HZ   PHE  53           HZ       PHE  53  -5.679  -6.486  12.377
  384    H    CYS  54           HN       CYS  54  -6.587  -8.117   6.105
  385    HA   CYS  54           HA       CYS  54  -9.190  -9.157   5.471
  386   1HB   CYS  54          HB2       CYS  54  -7.988 -11.337   5.247
  387   2HB   CYS  54          HB1       CYS  54  -7.312 -10.052   4.256
  388    H    GLN  55           HN       GLN  55 -10.465  -8.994   7.277
  389    HA   GLN  55           HA       GLN  55  -9.576  -9.700   9.878
  390   1HB   GLN  55          HB2       GLN  55 -12.386  -9.349   8.825
  391   2HB   GLN  55          HB1       GLN  55 -11.950  -9.475  10.523
  392   1HG   GLN  55          HG2       GLN  55 -10.615  -7.423  10.309
  393   2HG   GLN  55          HG1       GLN  55 -11.118  -7.293   8.624
  394   1HE2  GLN  55          HE21      GLN  55 -13.807  -8.308   9.242
  395   2HE2  GLN  55          HE22      GLN  55 -14.645  -6.992   9.992
  396    H    ASN  56           HN       ASN  56 -12.457 -11.161   8.434
  397    HA   ASN  56           HA       ASN  56 -11.720 -13.671   9.733
  398   1HB   ASN  56          HB2       ASN  56 -14.004 -12.611  10.027
  399   2HB   ASN  56          HB1       ASN  56 -14.321 -13.008   8.342
  400   1HD2  ASN  56          HD21      ASN  56 -13.854 -14.246  11.542
  401   2HD2  ASN  56          HD22      ASN  56 -14.417 -15.860  11.228
  402    H    GLY  57           HN       GLY  57 -11.763 -12.214   6.661
  403   1HA   GLY  57          HA2       GLY  57 -12.137 -14.555   5.073
  404   2HA   GLY  57          HA1       GLY  57 -11.501 -13.015   4.521
  405    H    HIS  58           HN       HIS  58  -9.603 -13.721   7.051
  406    HA   HIS  58           HA       HIS  58  -7.927 -15.759   5.986
  407   1HB   HIS  58          HB2       HIS  58  -7.277 -14.082   4.377
  408   2HB   HIS  58          HB1       HIS  58  -7.037 -12.888   5.648
  409    HD2  HIS  58           HD2      HIS  58  -5.331 -16.281   4.539
  410    HE1  HIS  58           HE1      HIS  58  -2.449 -13.836   6.454
  411    HE2  HIS  58           HE2      HIS  58  -2.825 -15.879   5.049
  412    H    GLY  59           HN       GLY  59  -7.578 -12.716   7.824
  413   1HA   GLY  59          HA2       GLY  59  -7.344 -13.421  10.355
  414   2HA   GLY  59          HA1       GLY  59  -5.856 -14.120   9.720
  415    H    LEU  60           HN       LEU  60  -6.508 -11.824  11.570
  416    HA   LEU  60           HA       LEU  60  -5.883  -9.411  10.177
  417   1HB   LEU  60          HB2       LEU  60  -6.010  -8.339  12.311
  418   2HB   LEU  60          HB1       LEU  60  -7.311  -9.503  12.200
  419    HG   LEU  60           HG       LEU  60  -4.741 -10.137  13.643
  420   1HD1  LEU  60          HD11      LEU  60  -7.242  -8.887  14.774
  421   2HD1  LEU  60          HD12      LEU  60  -5.654  -8.127  14.654
  422   3HD1  LEU  60          HD13      LEU  60  -5.890  -9.514  15.717
  423   1HD2  LEU  60          HD21      LEU  60  -6.146 -11.762  14.809
  424   2HD2  LEU  60          HD22      LEU  60  -6.176 -12.032  13.066
  425   3HD2  LEU  60          HD23      LEU  60  -7.540 -11.246  13.860
  426    H    ILE  61           HN       ILE  61  -4.067  -8.047  10.542
  427    HA   ILE  61           HA       ILE  61  -1.666  -9.390  11.619
  428    HB   ILE  61           HB       ILE  61  -1.331  -7.286   9.529
  429   1HG1  ILE  61          HG12      ILE  61  -1.150  -9.323   7.868
  430   2HG1  ILE  61          HG11      ILE  61  -2.307 -10.057   8.974
  431   1HG2  ILE  61          HG21      ILE  61   0.621  -8.091  10.685
  432   2HG2  ILE  61          HG22      ILE  61   0.684  -8.617   9.003
  433   3HG2  ILE  61          HG23      ILE  61   0.225  -9.759  10.266
  434   1HD1  ILE  61          HD11      ILE  61  -2.675  -7.459   7.497
  435   2HD1  ILE  61          HD12      ILE  61  -3.835  -8.181   8.612
  436   3HD1  ILE  61          HD13      ILE  61  -3.433  -9.001   7.103
  437    H    SER  62           HN       SER  62  -0.287  -8.018  12.825
  438    HA   SER  62           HA       SER  62  -1.265  -5.528  13.759
  439   1HB   SER  62          HB2       SER  62   0.444  -6.828  15.003
  440   2HB   SER  62          HB1       SER  62   1.590  -6.567  13.688
  441    HG   SER  62           HG       SER  62   0.778  -4.859  15.697
  442    H    LYS  63           HN       LYS  63  -1.005  -3.485  12.877
  443    HA   LYS  63           HA       LYS  63  -0.514  -3.383  10.087
  444   1HB   LYS  63          HB2       LYS  63  -0.808  -1.100  12.046
  445   2HB   LYS  63          HB1       LYS  63  -0.902  -0.966  10.294
  446   1HG   LYS  63          HG2       LYS  63  -2.845  -2.526  10.342
  447   2HG   LYS  63          HG1       LYS  63  -2.793  -2.451  12.103
  448   1HD   LYS  63          HD2       LYS  63  -4.442  -0.896  11.411
  449   2HD   LYS  63          HD1       LYS  63  -3.034   0.054  11.888
  450   1HE   LYS  63          HE2       LYS  63  -3.959   0.941   9.837
  451   2HE   LYS  63          HE1       LYS  63  -2.383   0.220   9.515
  452   1HZ   LYS  63          HZ1       LYS  63  -3.490  -1.740   8.653
  453   2HZ   LYS  63          HZ2       LYS  63  -4.027  -0.365   7.822
  454   3HZ   LYS  63          HZ3       LYS  63  -5.009  -1.079   8.996
  455    H    LYS  64           HN       LYS  64   1.552  -3.402  12.667
  456    HA   LYS  64           HA       LYS  64   3.691  -1.812  11.604
  457   1HB   LYS  64          HB2       LYS  64   3.276  -2.366  14.041
  458   2HB   LYS  64          HB1       LYS  64   3.808  -3.999  13.684
  459   1HG   LYS  64          HG2       LYS  64   5.991  -3.039  12.939
  460   2HG   LYS  64          HG1       LYS  64   5.434  -1.476  13.546
  461   1HD   LYS  64          HD2       LYS  64   5.018  -2.643  15.757
  462   2HD   LYS  64          HD1       LYS  64   5.913  -4.011  15.096
  463   1HE   LYS  64          HE2       LYS  64   7.404  -2.664  16.410
  464   2HE   LYS  64          HE1       LYS  64   7.841  -2.506  14.709
  465   1HZ   LYS  64          HZ1       LYS  64   7.003  -0.360  14.612
  466   2HZ   LYS  64          HZ2       LYS  64   7.718  -0.405  16.148
  467   3HZ   LYS  64          HZ3       LYS  64   6.035  -0.551  15.990
  468    H    ARG  65           HN       ARG  65   2.427  -4.918  10.985
  469    HA   ARG  65           HA       ARG  65   4.942  -5.752   9.692
  470   1HB   ARG  65          HB2       ARG  65   2.927  -7.386  11.205
  471   2HB   ARG  65          HB1       ARG  65   4.017  -8.121  10.036
  472   1HG   ARG  65          HG2       ARG  65   4.731  -6.696  12.581
  473   2HG   ARG  65          HG1       ARG  65   5.006  -8.390  12.165
  474   1HD   ARG  65          HD2       ARG  65   6.354  -5.955  11.033
  475   2HD   ARG  65          HD1       ARG  65   7.089  -7.284  11.926
  476    HE   ARG  65           HE       ARG  65   5.955  -8.388   9.659
  477   1HH1  ARG  65          HH11      ARG  65   8.468  -6.066  10.410
  478   2HH1  ARG  65          HH12      ARG  65   9.354  -6.369   8.942
  479   1HH2  ARG  65          HH21      ARG  65   7.081  -8.750   7.720
  480   2HH2  ARG  65          HH22      ARG  65   8.562  -7.890   7.415
  481    H    VAL  66           HN       VAL  66   2.168  -4.479   8.870
  482    HA   VAL  66           HA       VAL  66   1.336  -6.380   6.847
  483    HB   VAL  66           HB       VAL  66   0.415  -3.534   7.312
  484   1HG1  VAL  66          HG11      VAL  66  -1.510  -4.163   5.944
  485   2HG1  VAL  66          HG12      VAL  66  -0.785  -5.740   5.644
  486   3HG1  VAL  66          HG13      VAL  66  -0.005  -4.279   5.035
  487   1HG2  VAL  66          HG21      VAL  66  -0.860  -6.137   8.141
  488   2HG2  VAL  66          HG22      VAL  66  -1.535  -4.527   8.381
  489   3HG2  VAL  66          HG23      VAL  66  -0.054  -4.997   9.218
  490    H    ASN  67           HN       ASN  67   1.703  -6.187   4.648
  491    HA   ASN  67           HA       ASN  67   4.065  -4.637   3.985
  492   1HB   ASN  67          HB2       ASN  67   3.826  -7.028   3.288
  493   2HB   ASN  67          HB1       ASN  67   2.499  -6.548   2.237
  494   1HD2  ASN  67          HD21      ASN  67   3.490  -7.144   0.350
  495   2HD2  ASN  67          HD22      ASN  67   4.872  -6.330  -0.294
  496    H    PHE  68           HN       PHE  68   3.416  -2.520   3.828
  497    HA   PHE  68           HA       PHE  68   1.218  -1.801   2.084
  498   1HB   PHE  68          HB2       PHE  68   3.210  -0.110   3.610
  499   2HB   PHE  68          HB1       PHE  68   1.908   0.548   2.628
  500    HD1  PHE  68           HD1      PHE  68  -0.417   0.318   3.334
  501    HD2  PHE  68           HD2      PHE  68   2.789  -1.074   5.760
  502    HE1  PHE  68           HE1      PHE  68  -1.937   0.201   5.265
  503    HE2  PHE  68           HE2      PHE  68   1.275  -1.198   7.696
  504    HZ   PHE  68           HZ       PHE  68  -1.090  -0.562   7.452
  505    H    VAL  69           HN       VAL  69   1.663  -2.221  -0.002
  506    HA   VAL  69           HA       VAL  69   4.271  -1.381  -1.066
  507    HB   VAL  69           HB       VAL  69   3.720  -3.750  -1.384
  508   1HG1  VAL  69          HG11      VAL  69   1.383  -2.762  -3.014
  509   2HG1  VAL  69          HG12      VAL  69   1.287  -3.577  -1.454
  510   3HG1  VAL  69          HG13      VAL  69   1.903  -4.441  -2.863
  511   1HG2  VAL  69          HG21      VAL  69   3.719  -2.160  -3.945
  512   2HG2  VAL  69          HG22      VAL  69   4.097  -3.877  -3.814
  513   3HG2  VAL  69          HG23      VAL  69   5.137  -2.684  -3.034
  514    H    ILE  70           HN       ILE  70   4.423   0.018  -2.791
  515    HA   ILE  70           HA       ILE  70   2.133   1.679  -3.335
  516    HB   ILE  70           HB       ILE  70   4.871   1.754  -4.618
  517   1HG1  ILE  70          HG12      ILE  70   3.779   3.366  -2.299
  518   2HG1  ILE  70          HG11      ILE  70   4.969   2.076  -2.169
  519   1HG2  ILE  70          HG21      ILE  70   2.644   3.785  -4.536
  520   2HG2  ILE  70          HG22      ILE  70   3.189   2.881  -5.947
  521   3HG2  ILE  70          HG23      ILE  70   4.254   4.067  -5.197
  522   1HD1  ILE  70          HD11      ILE  70   5.345   4.669  -3.657
  523   2HD1  ILE  70          HD12      ILE  70   6.541   3.382  -3.494
  524   3HD1  ILE  70          HD13      ILE  70   6.007   4.276  -2.069
  525    H    SER  71           HN       SER  71   0.630   0.537  -4.490
  526    HA   SER  71           HA       SER  71   1.511  -0.467  -7.108
  527   1HB   SER  71          HB2       SER  71  -0.652  -1.889  -6.912
  528   2HB   SER  71          HB1       SER  71   0.762  -2.373  -5.974
  529    HG   SER  71           HG       SER  71  -1.661  -1.754  -5.087
  530    H    ASP  72           HN       ASP  72   1.230   1.488  -8.151
  531    HA   ASP  72           HA       ASP  72  -1.545   2.447  -8.364
  532   1HB   ASP  72          HB2       ASP  72  -0.694   4.577  -9.010
  533   2HB   ASP  72          HB1       ASP  72   0.275   4.071  -7.632
  534    H    GLN  73           HN       GLN  73   0.292   0.301  -9.749
  535    HA   GLN  73           HA       GLN  73   0.214   1.079 -12.508
  536   1HB   GLN  73          HB2       GLN  73   0.867  -1.451 -12.753
  537   2HB   GLN  73          HB1       GLN  73   2.026  -0.286 -12.133
  538   1HG   GLN  73          HG2       GLN  73   2.205  -2.173 -10.751
  539   2HG   GLN  73          HG1       GLN  73   1.311  -0.980  -9.817
  540   1HE2  GLN  73          HE21      GLN  73   0.012  -2.995 -12.405
  541   2HE2  GLN  73          HE22      GLN  73  -1.084  -3.873 -11.393
  542    H    LEU  74           HN       LEU  74  -0.869  -0.163 -14.173
  543    HA   LEU  74           HA       LEU  74  -3.635  -0.553 -13.554
  544   1HB   LEU  74          HB2       LEU  74  -2.678   0.402 -15.694
  545   2HB   LEU  74          HB1       LEU  74  -2.183  -1.223 -16.120
  546    HG   LEU  74           HG       LEU  74  -4.310  -0.363 -17.195
  547   1HD1  LEU  74          HD11      LEU  74  -3.740  -2.729 -17.185
  548   2HD1  LEU  74          HD12      LEU  74  -5.479  -2.494 -17.006
  549   3HD1  LEU  74          HD13      LEU  74  -4.497  -2.912 -15.602
  550   1HD2  LEU  74          HD21      LEU  74  -5.255   0.731 -15.233
  551   2HD2  LEU  74          HD22      LEU  74  -5.415  -0.831 -14.432
  552   3HD2  LEU  74          HD23      LEU  74  -6.357  -0.483 -15.881
  553    H    GLU  75           HN       GLU  75  -4.222  -2.290 -12.447
  554    HA   GLU  75           HA       GLU  75  -2.965  -4.872 -13.055
  555   1HB   GLU  75          HB2       GLU  75  -4.319  -5.466 -10.859
  556   2HB   GLU  75          HB1       GLU  75  -2.745  -4.691 -10.790
  557   1HG   GLU  75          HG2       GLU  75  -4.380  -3.704  -9.238
  558   2HG   GLU  75          HG1       GLU  75  -3.753  -2.545 -10.407
  559    H    HIS  76           HN       HIS  76  -5.629  -3.174 -13.920
  560    HA   HIS  76           HA       HIS  76  -7.683  -5.089 -13.551
  561   1HB   HIS  76          HB2       HIS  76  -7.427  -2.513 -14.995
  562   2HB   HIS  76          HB1       HIS  76  -8.719  -3.592 -15.509
  563    HD1  HIS  76           HD1      HIS  76  -7.435  -2.224 -12.165
  564    HD2  HIS  76           HD2      HIS  76 -10.992  -3.163 -14.123
  565    HE1  HIS  76           HE1      HIS  76  -9.282  -1.582 -10.585
  566    HE2  HIS  76           HE2      HIS  76 -11.404  -2.337 -11.707
  567    H    HIS  77           HN       HIS  77  -6.687  -3.958 -16.805
  568    HA   HIS  77           HA       HIS  77  -7.090  -6.756 -17.629
  569   1HB   HIS  77          HB2       HIS  77  -8.788  -5.101 -18.462
  570   2HB   HIS  77          HB1       HIS  77  -7.499  -4.324 -19.373
  571    HD1  HIS  77           HD1      HIS  77  -7.014  -5.254 -21.653
  572    HD2  HIS  77           HD2      HIS  77  -9.295  -7.841 -19.320
  573    HE1  HIS  77           HE1      HIS  77  -7.683  -7.144 -23.182
  574    HE2  HIS  77           HE2      HIS  77  -8.976  -8.751 -21.723
  575    H    HIS  78           HN       HIS  78  -4.811  -7.054 -17.119
  576    HA   HIS  78           HA       HIS  78  -3.414  -7.565 -19.428
  577   1HB   HIS  78          HB2       HIS  78  -3.108  -4.941 -19.242
  578   2HB   HIS  78          HB1       HIS  78  -1.877  -5.384 -18.063
  579    HD1  HIS  78           HD1      HIS  78  -2.598  -5.339 -21.698
  580    HD2  HIS  78           HD2      HIS  78   0.346  -6.807 -19.148
  581    HE1  HIS  78           HE1      HIS  78  -0.667  -5.970 -23.181
  582    HE2  HIS  78           HE2      HIS  78   0.995  -7.068 -21.645
  583    H    HIS  79           HN       HIS  79  -2.919  -6.479 -16.106
  584    HA   HIS  79           HA       HIS  79  -0.948  -8.436 -15.463
  585   1HB   HIS  79          HB2       HIS  79  -1.218  -6.336 -14.184
  586   2HB   HIS  79          HB1       HIS  79  -2.819  -6.849 -13.674
  587    HD1  HIS  79           HD1      HIS  79  -2.976  -8.457 -11.707
  588    HD2  HIS  79           HD2      HIS  79   0.933  -7.642 -12.886
  589    HE1  HIS  79           HE1      HIS  79  -1.510  -9.324  -9.856
  590    HE2  HIS  79           HE2      HIS  79   0.814  -8.571 -10.470
  591    H    HIS  80           HN       HIS  80  -1.831 -10.382 -16.257
  592    HA   HIS  80           HA       HIS  80  -4.438 -11.178 -15.200
  593   1HB   HIS  80          HB2       HIS  80  -4.472 -12.863 -16.978
  594   2HB   HIS  80          HB1       HIS  80  -4.222 -11.248 -17.622
  595    HD1  HIS  80           HD1      HIS  80  -1.890 -10.746 -18.689
  596    HD2  HIS  80           HD2      HIS  80  -2.411 -14.668 -17.412
  597    HE1  HIS  80           HE1      HIS  80  -0.024 -12.058 -19.751
  598    HE2  HIS  80           HE2      HIS  80  -0.520 -14.460 -19.157
  599    H    HIS  81           HN       HIS  81  -4.824 -13.283 -14.437
  600    HA   HIS  81           HA       HIS  81  -2.485 -14.683 -13.367
  601   1HB   HIS  81          HB2       HIS  81  -3.806 -14.900 -11.165
  602   2HB   HIS  81          HB1       HIS  81  -3.007 -13.368 -11.488
  603    HD1  HIS  81           HD1      HIS  81  -6.353 -14.896 -10.963
  604    HD2  HIS  81           HD2      HIS  81  -4.774 -11.217 -12.092
  605    HE1  HIS  81           HE1      HIS  81  -8.250 -13.260 -10.783
  606    HE2  HIS  81           HE2      HIS  81  -7.316 -11.076 -11.636
  Start of MODEL    2
    1   1H    MET   1          HT1       MET   1   9.712   2.219   9.187
    2   2H    MET   1          HT2       MET   1  11.212   2.968   8.939
    3   3H    MET   1          HT3       MET   1  11.141   1.358   9.466
    4    HA   MET   1           HA       MET   1  11.704   1.583   7.097
    5   1HB   MET   1          HB2       MET   1   9.056   0.243   7.696
    6   2HB   MET   1          HB1       MET   1  10.077  -0.093   6.306
    7   1HG   MET   1          HG2       MET   1  10.331  -1.799   8.008
    8   2HG   MET   1          HG1       MET   1  11.835  -0.910   7.779
    9   1HE   MET   1          HE1       MET   1  11.878  -1.816  11.597
   10   2HE   MET   1          HE2       MET   1  12.728  -1.953  10.058
   11   3HE   MET   1          HE3       MET   1  11.200  -2.798  10.301
   12    H    GLU   2           HN       GLU   2  11.584   3.387   5.886
   13    HA   GLU   2           HA       GLU   2   8.922   4.475   5.324
   14   1HB   GLU   2          HB2       GLU   2  10.359   6.384   4.283
   15   2HB   GLU   2          HB1       GLU   2  10.162   6.280   6.023
   16   1HG   GLU   2          HG2       GLU   2  12.425   6.804   5.583
   17   2HG   GLU   2          HG1       GLU   2  12.374   5.133   6.130
   18    H    ILE   3           HN       ILE   3   8.219   4.896   3.238
   19    HA   ILE   3           HA       ILE   3   9.273   3.153   1.197
   20    HB   ILE   3           HB       ILE   3   7.042   5.200   1.017
   21   1HG1  ILE   3          HG12      ILE   3   5.650   3.012   0.872
   22   2HG1  ILE   3          HG11      ILE   3   7.056   2.243   1.596
   23   1HG2  ILE   3          HG21      ILE   3   8.027   4.763  -1.157
   24   2HG2  ILE   3          HG22      ILE   3   6.418   4.048  -1.058
   25   3HG2  ILE   3          HG23      ILE   3   7.846   3.025  -0.911
   26   1HD1  ILE   3          HD11      ILE   3   5.393   2.794   3.270
   27   2HD1  ILE   3          HD12      ILE   3   5.455   4.492   2.796
   28   3HD1  ILE   3          HD13      ILE   3   6.867   3.727   3.527
   29    H    THR   4           HN       THR   4  11.158   3.794   0.385
   30    HA   THR   4           HA       THR   4  11.888   6.551   0.186
   31    HB   THR   4           HB       THR   4  13.389   4.281  -1.092
   32    HG1  THR   4           HG1      THR   4  13.138   4.951   1.671
   33   1HG2  THR   4          HG21      THR   4  14.220   6.548  -1.476
   34   2HG2  THR   4          HG22      THR   4  15.333   5.644  -0.447
   35   3HG2  THR   4          HG23      THR   4  14.249   6.842   0.263
   36    H    CYS   5           HN       CYS   5  11.360   7.856  -1.413
   37    HA   CYS   5           HA       CYS   5  10.286   7.017  -3.900
   38   1HB   CYS   5          HB2       CYS   5   9.780   9.220  -2.983
   39   2HB   CYS   5          HB1       CYS   5  11.479   9.669  -3.053
   40    HA   PRO   6           HA       PRO   6  14.149   5.867  -5.785
   41   1HB   PRO   6          HB2       PRO   6  13.201   5.597  -8.331
   42   2HB   PRO   6          HB1       PRO   6  12.980   4.377  -7.071
   43   1HG   PRO   6          HG2       PRO   6  11.074   6.469  -8.043
   44   2HG   PRO   6          HG1       PRO   6  10.762   4.773  -7.629
   45   1HD   PRO   6          HD2       PRO   6  10.168   6.803  -5.948
   46   2HD   PRO   6          HD1       PRO   6  10.686   5.209  -5.364
   47    H    VAL   7           HN       VAL   7  12.171   8.559  -6.754
   48    HA   VAL   7           HA       VAL   7  14.111   9.560  -8.652
   49    HB   VAL   7           HB       VAL   7  11.616  10.927  -7.638
   50   1HG1  VAL   7          HG11      VAL   7  11.797  12.237  -9.705
   51   2HG1  VAL   7          HG12      VAL   7  13.302  11.405 -10.095
   52   3HG1  VAL   7          HG13      VAL   7  13.212  12.447  -8.674
   53   1HG2  VAL   7          HG21      VAL   7  10.543  10.114  -9.688
   54   2HG2  VAL   7          HG22      VAL   7  11.053   8.783  -8.650
   55   3HG2  VAL   7          HG23      VAL   7  11.997   9.196 -10.081
   56    H    CYS   8           HN       CYS   8  12.586  11.029  -5.748
   57    HA   CYS   8           HA       CYS   8  14.776  12.913  -5.620
   58   1HB   CYS   8          HB2       CYS   8  13.534  14.013  -3.863
   59   2HB   CYS   8          HB1       CYS   8  12.446  13.631  -5.190
   60    H    HIS   9           HN       HIS   9  14.348   9.833  -4.515
   61    HA   HIS   9           HA       HIS   9  15.326   8.504  -2.951
   62   1HB   HIS   9          HB2       HIS   9  17.321   9.501  -4.217
   63   2HB   HIS   9          HB1       HIS   9  17.534  10.558  -2.826
   64    HD1  HIS   9           HD1      HIS   9  17.898   7.002  -3.926
   65    HD2  HIS   9           HD2      HIS   9  18.572   9.314  -0.532
   66    HE1  HIS   9           HE1      HIS   9  19.273   5.565  -2.383
   67    HE2  HIS   9           HE2      HIS   9  19.794   7.037  -0.404
   68    H    HIS  10           HN       HIS  10  13.393   9.861  -1.841
   69    HA   HIS  10           HA       HIS  10  14.397  10.523   0.830
   70   1HB   HIS  10          HB2       HIS  10  12.952  12.319  -1.008
   71   2HB   HIS  10          HB1       HIS  10  12.275  12.230   0.611
   72    HD1  HIS  10           HD1      HIS  10  13.070  14.118   1.949
   73    HD2  HIS  10           HD2      HIS  10  16.022  12.727  -0.630
   74    HE1  HIS  10           HE1      HIS  10  15.054  15.619   2.313
   75    HE2  HIS  10           HE2      HIS  10  16.905  14.582   0.947
   76    H    ALA  11           HN       ALA  11  12.731  10.344   2.471
   77    HA   ALA  11           HA       ALA  11  11.032   8.111   2.098
   78   1HB   ALA  11          HB1       ALA  11  11.065  10.151   4.321
   79   2HB   ALA  11          HB2       ALA  11  12.006   8.660   4.270
   80   3HB   ALA  11          HB3       ALA  11  10.247   8.590   4.364
   81    H    LEU  12           HN       LEU  12   9.070   8.051   1.218
   82    HA   LEU  12           HA       LEU  12   7.701  10.428   0.439
   83   1HB   LEU  12          HB2       LEU  12   6.881   7.527   0.431
   84   2HB   LEU  12          HB1       LEU  12   5.858   8.816  -0.178
   85    HG   LEU  12           HG       LEU  12   8.582   8.094  -1.260
   86   1HD1  LEU  12          HD11      LEU  12   6.909   6.392  -1.759
   87   2HD1  LEU  12          HD12      LEU  12   7.348   7.291  -3.212
   88   3HD1  LEU  12          HD13      LEU  12   5.825   7.632  -2.390
   89   1HD2  LEU  12          HD21      LEU  12   7.975   9.648  -3.079
   90   2HD2  LEU  12          HD22      LEU  12   8.131  10.456  -1.519
   91   3HD2  LEU  12          HD23      LEU  12   6.532  10.106  -2.174
   92    H    GLU  13           HN       GLU  13   5.638  11.120   1.117
   93    HA   GLU  13           HA       GLU  13   5.144  10.588   3.955
   94   1HB   GLU  13          HB2       GLU  13   5.585  12.916   3.352
   95   2HB   GLU  13          HB1       GLU  13   4.277  12.876   2.180
   96   1HG   GLU  13          HG2       GLU  13   2.645  12.671   3.909
   97   2HG   GLU  13          HG1       GLU  13   3.901  12.476   5.133
   98    H    ARG  14           HN       ARG  14   3.703   9.012   4.215
   99    HA   ARG  14           HA       ARG  14   1.761   8.511   2.129
  100   1HB   ARG  14          HB2       ARG  14   1.201   6.482   3.478
  101   2HB   ARG  14          HB1       ARG  14   2.870   6.571   2.946
  102   1HG   ARG  14          HG2       ARG  14   3.107   5.843   5.103
  103   2HG   ARG  14          HG1       ARG  14   3.284   7.584   5.308
  104   1HD   ARG  14          HD2       ARG  14   0.921   7.733   5.963
  105   2HD   ARG  14          HD1       ARG  14   0.767   5.986   5.777
  106    HE   ARG  14           HE       ARG  14   2.872   6.439   7.541
  107   1HH1  ARG  14          HH11      ARG  14  -0.584   7.051   7.445
  108   2HH1  ARG  14          HH12      ARG  14  -0.777   6.925   9.165
  109   1HH2  ARG  14          HH21      ARG  14   2.598   6.256   9.801
  110   2HH2  ARG  14          HH22      ARG  14   1.020   6.468  10.497
  111    H    ASN  15           HN       ASN  15  -0.341   8.839   2.187
  112    HA   ASN  15           HA       ASN  15  -1.493  10.137   4.552
  113   1HB   ASN  15          HB2       ASN  15  -2.812   9.686   1.867
  114   2HB   ASN  15          HB1       ASN  15  -3.305  10.812   3.127
  115   1HD2  ASN  15          HD21      ASN  15  -2.059  12.696   3.465
  116   2HD2  ASN  15          HD22      ASN  15  -1.049  13.324   2.205
  117    H    GLY  16           HN       GLY  16  -1.494   7.245   2.701
  118   1HA   GLY  16          HA2       GLY  16  -2.433   5.378   4.300
  119   2HA   GLY  16          HA1       GLY  16  -3.938   6.208   3.912
  120    H    ASP  17           HN       ASP  17  -4.607   6.311   1.699
  121    HA   ASP  17           HA       ASP  17  -3.905   3.968   0.149
  122   1HB   ASP  17          HB2       ASP  17  -5.793   6.268  -0.401
  123   2HB   ASP  17          HB1       ASP  17  -5.572   4.901  -1.487
  124    H    THR  18           HN       THR  18  -2.765   7.111   0.443
  125    HA   THR  18           HA       THR  18  -1.517   6.990  -2.214
  126    HB   THR  18           HB       THR  18  -2.540   9.521  -0.912
  127    HG1  THR  18           HG1      THR  18  -3.731   7.677  -2.676
  128   1HG2  THR  18          HG21      THR  18  -1.556   8.954  -3.715
  129   2HG2  THR  18          HG22      THR  18  -0.694   9.875  -2.480
  130   3HG2  THR  18          HG23      THR  18  -2.207  10.493  -3.147
  131    H    ALA  19           HN       ALA  19   0.575   7.634  -2.347
  132    HA   ALA  19           HA       ALA  19   1.884   8.560   0.129
  133   1HB   ALA  19          HB1       ALA  19   3.963   7.678  -0.779
  134   2HB   ALA  19          HB2       ALA  19   3.139   7.203  -2.264
  135   3HB   ALA  19          HB3       ALA  19   2.736   6.413  -0.741
  136    H    HIS  20           HN       HIS  20   2.055  10.706   0.073
  137    HA   HIS  20           HA       HIS  20   2.196  12.089  -2.478
  138   1HB   HIS  20          HB2       HIS  20   0.701  12.908  -0.673
  139   2HB   HIS  20          HB1       HIS  20   2.113  13.201   0.338
  140    HD1  HIS  20           HD1      HIS  20   0.611  14.357  -2.943
  141    HD2  HIS  20           HD2      HIS  20   3.253  15.655  -0.000
  142    HE1  HIS  20           HE1      HIS  20   1.149  16.751  -3.513
  143    HE2  HIS  20           HE2      HIS  20   2.546  17.579  -1.581
  144    H    CYS  21           HN       CYS  21   4.077  12.613  -3.398
  145    HA   CYS  21           HA       CYS  21   6.511  12.306  -1.908
  146   1HB   CYS  21          HB2       CYS  21   6.426  11.668  -4.282
  147   2HB   CYS  21          HB1       CYS  21   6.114  13.347  -4.719
  148    H    GLU  22           HN       GLU  22   7.564  13.720  -0.885
  149    HA   GLU  22           HA       GLU  22   6.586  16.359  -0.457
  150   1HB   GLU  22          HB2       GLU  22   9.058  16.250   0.747
  151   2HB   GLU  22          HB1       GLU  22   7.536  15.793   1.491
  152   1HG   GLU  22          HG2       GLU  22   9.268  14.098   1.822
  153   2HG   GLU  22          HG1       GLU  22   7.897  13.475   0.911
  154    H    THR  23           HN       THR  23   8.438  15.208  -2.960
  155    HA   THR  23           HA       THR  23   9.861  17.773  -3.206
  156    HB   THR  23           HB       THR  23  11.396  15.620  -4.386
  157    HG1  THR  23           HG1      THR  23  11.213  15.529  -1.543
  158   1HG2  THR  23          HG21      THR  23  11.981  17.586  -2.161
  159   2HG2  THR  23          HG22      THR  23  12.298  17.837  -3.879
  160   3HG2  THR  23          HG23      THR  23  13.180  16.593  -2.990
  161    H    CYS  24           HN       CYS  24   9.108  14.785  -5.016
  162    HA   CYS  24           HA       CYS  24   9.363  16.134  -7.537
  163   1HB   CYS  24          HB2       CYS  24   8.232  13.380  -7.029
  164   2HB   CYS  24          HB1       CYS  24   8.973  13.985  -8.509
  165    H    ALA  25           HN       ALA  25   6.979  16.120  -5.276
  166    HA   ALA  25           HA       ALA  25   4.827  16.828  -5.211
  167   1HB   ALA  25          HB1       ALA  25   5.732  18.674  -6.547
  168   2HB   ALA  25          HB2       ALA  25   4.057  18.316  -6.965
  169   3HB   ALA  25          HB3       ALA  25   5.364  17.780  -8.020
  170    H    LYS  26           HN       LYS  26   5.535  14.151  -6.369
  171    HA   LYS  26           HA       LYS  26   3.204  13.666  -8.084
  172   1HB   LYS  26          HB2       LYS  26   5.601  13.009  -8.760
  173   2HB   LYS  26          HB1       LYS  26   5.470  11.750  -7.544
  174   1HG   LYS  26          HG2       LYS  26   3.571  10.788  -8.728
  175   2HG   LYS  26          HG1       LYS  26   3.671  12.068  -9.938
  176   1HD   LYS  26          HD2       LYS  26   6.019  11.322 -10.401
  177   2HD   LYS  26          HD1       LYS  26   5.720   9.939  -9.351
  178   1HE   LYS  26          HE2       LYS  26   5.395   9.283 -11.646
  179   2HE   LYS  26          HE1       LYS  26   3.842   9.278 -10.814
  180   1HZ   LYS  26          HZ1       LYS  26   3.847  10.297 -13.084
  181   2HZ   LYS  26          HZ2       LYS  26   4.787  11.566 -12.454
  182   3HZ   LYS  26          HZ3       LYS  26   3.223  11.289 -11.858
  183    H    ASP  27           HN       ASP  27   1.693  12.093  -7.528
  184    HA   ASP  27           HA       ASP  27   1.851  11.142  -4.746
  185   1HB   ASP  27          HB2       ASP  27  -0.552  11.723  -6.488
  186   2HB   ASP  27          HB1       ASP  27  -0.662  10.884  -4.945
  187    H    PHE  28           HN       PHE  28   1.922   9.030  -4.362
  188    HA   PHE  28           HA       PHE  28   1.651   7.220  -6.671
  189   1HB   PHE  28          HB2       PHE  28   3.210   6.832  -4.102
  190   2HB   PHE  28          HB1       PHE  28   3.150   5.700  -5.448
  191    HD1  PHE  28           HD1      PHE  28   4.336   6.156  -7.514
  192    HD2  PHE  28           HD2      PHE  28   4.511   8.866  -4.236
  193    HE1  PHE  28           HE1      PHE  28   6.268   7.276  -8.546
  194    HE2  PHE  28           HE2      PHE  28   6.443   9.990  -5.265
  195    HZ   PHE  28           HZ       PHE  28   7.323   9.195  -7.423
  196    H    SER  29           HN       SER  29   0.661   5.149  -6.328
  197    HA   SER  29           HA       SER  29  -1.503   5.259  -4.402
  198   1HB   SER  29          HB2       SER  29  -0.884   3.126  -6.460
  199   2HB   SER  29          HB1       SER  29  -2.397   3.330  -5.578
  200    HG   SER  29           HG       SER  29  -2.000   4.261  -7.873
  201    H    LEU  30           HN       LEU  30  -1.533   4.208  -2.512
  202    HA   LEU  30           HA       LEU  30   0.531   2.154  -2.044
  203   1HB   LEU  30          HB2       LEU  30  -0.771   4.083  -0.133
  204   2HB   LEU  30          HB1       LEU  30   0.142   2.690   0.403
  205    HG   LEU  30           HG       LEU  30   1.200   5.041  -1.157
  206   1HD1  LEU  30          HD11      LEU  30   2.547   5.388   0.873
  207   2HD1  LEU  30          HD12      LEU  30   1.692   4.055   1.649
  208   3HD1  LEU  30          HD13      LEU  30   0.816   5.515   1.187
  209   1HD2  LEU  30          HD21      LEU  30   2.281   2.976  -1.890
  210   2HD2  LEU  30          HD22      LEU  30   2.627   2.555  -0.213
  211   3HD2  LEU  30          HD23      LEU  30   3.389   3.969  -0.943
  212    H    GLN  31           HN       GLN  31  -0.039   0.233  -1.166
  213    HA   GLN  31           HA       GLN  31  -2.820  -0.152  -0.321
  214   1HB   GLN  31          HB2       GLN  31  -1.266  -1.922  -2.216
  215   2HB   GLN  31          HB1       GLN  31  -2.739  -2.430  -1.404
  216   1HG   GLN  31          HG2       GLN  31  -3.986  -0.676  -2.527
  217   2HG   GLN  31          HG1       GLN  31  -2.509  -0.109  -3.306
  218   1HE2  GLN  31          HE21      GLN  31  -3.370  -0.445  -5.355
  219   2HE2  GLN  31          HE22      GLN  31  -3.565  -2.027  -6.022
  220    H    ALA  32           HN       ALA  32  -2.947  -1.169   1.597
  221    HA   ALA  32           HA       ALA  32  -0.567  -2.209   2.846
  222   1HB   ALA  32          HB1       ALA  32  -2.240  -1.040   4.198
  223   2HB   ALA  32          HB2       ALA  32  -2.034  -2.700   4.755
  224   3HB   ALA  32          HB3       ALA  32  -3.440  -2.262   3.788
  225    H    LEU  33           HN       LEU  33   0.149  -4.030   1.843
  226    HA   LEU  33           HA       LEU  33  -1.806  -6.116   1.212
  227   1HB   LEU  33          HB2       LEU  33   1.087  -5.803   0.411
  228   2HB   LEU  33          HB1       LEU  33   0.086  -7.175  -0.023
  229    HG   LEU  33           HG       LEU  33  -0.302  -4.317  -0.900
  230   1HD1  LEU  33          HD11      LEU  33   0.115  -5.228  -3.130
  231   2HD1  LEU  33          HD12      LEU  33   0.423  -6.813  -2.418
  232   3HD1  LEU  33          HD13      LEU  33   1.494  -5.460  -2.057
  233   1HD2  LEU  33          HD21      LEU  33  -2.170  -5.156  -2.233
  234   2HD2  LEU  33          HD22      LEU  33  -2.462  -5.379  -0.508
  235   3HD2  LEU  33          HD23      LEU  33  -1.975  -6.751  -1.504
  236    H    CYS  34           HN       CYS  34  -1.508  -8.256   1.847
  237    HA   CYS  34           HA       CYS  34   0.045  -8.593   4.300
  238   1HB   CYS  34          HB2       CYS  34  -2.366  -9.257   4.247
  239   2HB   CYS  34          HB1       CYS  34  -1.983 -10.440   3.003
  240    HA   PRO  35           HA       PRO  35   3.521 -10.234   2.220
  241   1HB   PRO  35          HB2       PRO  35   3.973 -12.360   4.040
  242   2HB   PRO  35          HB1       PRO  35   4.710 -10.757   4.064
  243   1HG   PRO  35          HG2       PRO  35   2.402 -11.801   5.611
  244   2HG   PRO  35          HG1       PRO  35   3.594 -10.567   6.057
  245   1HD   PRO  35          HD2       PRO  35   1.081  -9.907   5.385
  246   2HD   PRO  35          HD1       PRO  35   2.463  -8.889   4.918
  247    H    ASP  36           HN       ASP  36   1.239 -12.659   3.429
  248    HA   ASP  36           HA       ASP  36   1.895 -14.482   1.277
  249   1HB   ASP  36          HB2       ASP  36   0.171 -15.944   2.352
  250   2HB   ASP  36          HB1       ASP  36   1.453 -15.454   3.454
  251    H    CYS  37           HN       CYS  37  -1.424 -14.353   2.133
  252    HA   CYS  37           HA       CYS  37  -2.534 -13.869  -0.328
  253   1HB   CYS  37          HB2       CYS  37  -4.545 -13.111   1.040
  254   2HB   CYS  37          HB1       CYS  37  -3.895 -14.699   1.437
  255    H    ARG  38           HN       ARG  38  -2.046 -12.153  -1.612
  256    HA   ARG  38           HA       ARG  38  -1.969  -9.479  -0.388
  257   1HB   ARG  38          HB2       ARG  38  -1.050 -10.320  -3.143
  258   2HB   ARG  38          HB1       ARG  38  -0.812  -8.745  -2.401
  259   1HG   ARG  38          HG2       ARG  38   0.571  -9.828  -0.657
  260   2HG   ARG  38          HG1       ARG  38   0.410 -11.353  -1.532
  261   1HD   ARG  38          HD2       ARG  38   1.376 -10.185  -3.534
  262   2HD   ARG  38          HD1       ARG  38   1.720  -8.813  -2.479
  263    HE   ARG  38           HE       ARG  38   2.779 -11.278  -1.470
  264   1HH1  ARG  38          HH11      ARG  38   3.357  -8.610  -3.668
  265   2HH1  ARG  38          HH12      ARG  38   5.079  -8.857  -3.718
  266   1HH2  ARG  38          HH21      ARG  38   5.054 -11.603  -1.531
  267   2HH2  ARG  38          HH22      ARG  38   6.046 -10.533  -2.480
  268    H    GLN  39           HN       GLN  39  -4.371 -11.105  -1.117
  269    HA   GLN  39           HA       GLN  39  -5.596  -9.228  -3.014
  270   1HB   GLN  39          HB2       GLN  39  -6.005 -12.223  -3.003
  271   2HB   GLN  39          HB1       GLN  39  -6.877 -11.084  -4.016
  272   1HG   GLN  39          HG2       GLN  39  -4.816 -10.478  -5.146
  273   2HG   GLN  39          HG1       GLN  39  -3.907 -11.567  -4.100
  274   1HE2  GLN  39          HE21      GLN  39  -6.059 -13.576  -4.145
  275   2HE2  GLN  39          HE22      GLN  39  -5.951 -14.346  -5.691
  276    HA   PRO  40           HA       PRO  40  -9.296 -10.867  -0.603
  277   1HB   PRO  40          HB2       PRO  40  -9.179 -12.899   1.120
  278   2HB   PRO  40          HB1       PRO  40  -9.133 -13.169  -0.626
  279   1HG   PRO  40          HG2       PRO  40  -6.887 -13.149   1.345
  280   2HG   PRO  40          HG1       PRO  40  -7.181 -14.261  -0.004
  281   1HD   PRO  40          HD2       PRO  40  -5.449 -12.120  -0.098
  282   2HD   PRO  40          HD1       PRO  40  -6.208 -12.861  -1.519
  283    H    LEU  41           HN       LEU  41  -7.384  -8.983   0.535
  284    HA   LEU  41           HA       LEU  41  -7.797  -9.141   3.394
  285   1HB   LEU  41          HB2       LEU  41  -6.472  -7.186   1.567
  286   2HB   LEU  41          HB1       LEU  41  -6.957  -6.656   3.166
  287    HG   LEU  41           HG       LEU  41  -5.588  -8.556   4.101
  288   1HD1  LEU  41          HD11      LEU  41  -4.515  -8.664   1.290
  289   2HD1  LEU  41          HD12      LEU  41  -5.468  -9.919   2.081
  290   3HD1  LEU  41          HD13      LEU  41  -3.865  -9.516   2.691
  291   1HD2  LEU  41          HD21      LEU  41  -4.150  -6.456   2.494
  292   2HD2  LEU  41          HD22      LEU  41  -3.484  -7.356   3.856
  293   3HD2  LEU  41          HD23      LEU  41  -4.828  -6.242   4.107
  294    H    GLN  42           HN       GLN  42  -9.336  -8.123   4.551
  295    HA   GLN  42           HA       GLN  42 -11.673  -7.203   3.206
  296   1HB   GLN  42          HB2       GLN  42 -10.939  -6.947   6.126
  297   2HB   GLN  42          HB1       GLN  42 -12.541  -6.726   5.444
  298   1HG   GLN  42          HG2       GLN  42 -12.571  -9.079   4.774
  299   2HG   GLN  42          HG1       GLN  42 -10.973  -9.293   5.491
  300   1HE2  GLN  42          HE21      GLN  42 -11.640  -7.430   7.680
  301   2HE2  GLN  42          HE22      GLN  42 -12.656  -8.327   8.755
  302    H    VAL  43           HN       VAL  43 -12.357  -5.165   2.810
  303    HA   VAL  43           HA       VAL  43 -10.484  -2.993   3.374
  304    HB   VAL  43           HB       VAL  43 -13.029  -2.852   1.744
  305   1HG1  VAL  43          HG11      VAL  43 -12.004  -0.842   0.794
  306   2HG1  VAL  43          HG12      VAL  43 -10.612  -1.048   1.857
  307   3HG1  VAL  43          HG13      VAL  43 -12.200  -0.700   2.541
  308   1HG2  VAL  43          HG21      VAL  43 -11.608  -3.050  -0.244
  309   2HG2  VAL  43          HG22      VAL  43 -11.533  -4.503   0.753
  310   3HG2  VAL  43          HG23      VAL  43 -10.207  -3.340   0.788
  311    H    LEU  44           HN       LEU  44 -10.811  -2.690   5.553
  312    HA   LEU  44           HA       LEU  44 -13.467  -2.505   6.648
  313   1HB   LEU  44          HB2       LEU  44 -10.793  -1.922   7.928
  314   2HB   LEU  44          HB1       LEU  44 -12.321  -2.093   8.772
  315    HG   LEU  44           HG       LEU  44 -10.948  -4.294   7.222
  316   1HD1  LEU  44          HD11      LEU  44  -9.719  -3.675   9.242
  317   2HD1  LEU  44          HD12      LEU  44 -10.462  -5.268   9.393
  318   3HD1  LEU  44          HD13      LEU  44 -11.190  -3.875  10.196
  319   1HD2  LEU  44          HD21      LEU  44 -13.383  -4.337   9.002
  320   2HD2  LEU  44          HD22      LEU  44 -12.613  -5.746   8.273
  321   3HD2  LEU  44          HD23      LEU  44 -13.374  -4.528   7.249
  322    H    LYS  45           HN       LYS  45 -14.525  -0.781   5.856
  323    HA   LYS  45           HA       LYS  45 -13.247   1.840   5.808
  324   1HB   LYS  45          HB2       LYS  45 -16.029   1.003   4.950
  325   2HB   LYS  45          HB1       LYS  45 -15.272   2.559   4.635
  326   1HG   LYS  45          HG2       LYS  45 -13.731   1.628   3.126
  327   2HG   LYS  45          HG1       LYS  45 -14.090  -0.016   3.655
  328   1HD   LYS  45          HD2       LYS  45 -16.386   0.250   2.749
  329   2HD   LYS  45          HD1       LYS  45 -15.914   1.832   2.120
  330   1HE   LYS  45          HE2       LYS  45 -14.298   0.857   0.668
  331   2HE   LYS  45          HE1       LYS  45 -14.472  -0.719   1.435
  332   1HZ   LYS  45          HZ1       LYS  45 -15.633  -0.723  -0.633
  333   2HZ   LYS  45          HZ2       LYS  45 -16.492   0.680  -0.231
  334   3HZ   LYS  45          HZ3       LYS  45 -16.785  -0.765   0.614
  335    H    ALA  46           HN       ALA  46 -13.156   2.747   7.785
  336    HA   ALA  46           HA       ALA  46 -15.651   2.846   9.345
  337   1HB   ALA  46          HB1       ALA  46 -14.364   2.626  11.398
  338   2HB   ALA  46          HB2       ALA  46 -12.877   2.481  10.463
  339   3HB   ALA  46          HB3       ALA  46 -14.113   1.229  10.350
  340    H    CYS  47           HN       CYS  47 -15.057   4.505  11.314
  341    HA   CYS  47           HA       CYS  47 -14.994   7.038  10.039
  342   1HB   CYS  47          HB2       CYS  47 -14.775   6.396  12.986
  343   2HB   CYS  47          HB1       CYS  47 -15.193   7.960  12.293
  344    HG   CYS  47           HG       CYS  47 -17.671   7.274  11.398
  345    H    GLY  48           HN       GLY  48 -12.605   5.157  11.826
  346   1HA   GLY  48          HA2       GLY  48 -10.651   7.189  12.067
  347   2HA   GLY  48          HA1       GLY  48 -10.348   5.457  12.116
  348    H    ALA  49           HN       ALA  49 -10.542   4.388   9.876
  349    HA   ALA  49           HA       ALA  49  -9.937   6.037   7.597
  350   1HB   ALA  49          HB1       ALA  49  -7.722   5.088   7.161
  351   2HB   ALA  49          HB2       ALA  49  -7.784   4.229   8.701
  352   3HB   ALA  49          HB3       ALA  49  -7.743   5.994   8.675
  353    H    VAL  50           HN       VAL  50  -9.009   4.312   5.816
  354    HA   VAL  50           HA       VAL  50 -10.864   2.043   5.908
  355    HB   VAL  50           HB       VAL  50 -10.333   1.855   3.423
  356   1HG1  VAL  50          HG11      VAL  50 -12.435   2.761   4.246
  357   2HG1  VAL  50          HG12      VAL  50 -11.897   3.646   2.818
  358   3HG1  VAL  50          HG13      VAL  50 -11.697   4.353   4.422
  359   1HG2  VAL  50          HG21      VAL  50  -9.511   3.881   2.318
  360   2HG2  VAL  50          HG22      VAL  50  -8.296   3.199   3.398
  361   3HG2  VAL  50          HG23      VAL  50  -9.215   4.620   3.891
  362    H    ASP  51           HN       ASP  51  -9.891   0.384   6.849
  363    HA   ASP  51           HA       ASP  51  -7.015   0.023   6.481
  364   1HB   ASP  51          HB2       ASP  51  -8.927  -1.281   8.431
  365   2HB   ASP  51          HB1       ASP  51  -7.193  -1.569   8.372
  366    H    TYR  52           HN       TYR  52  -6.309  -1.362   5.025
  367    HA   TYR  52           HA       TYR  52  -7.948  -3.594   4.155
  368   1HB   TYR  52          HB2       TYR  52  -5.098  -2.888   3.389
  369   2HB   TYR  52          HB1       TYR  52  -6.137  -4.056   2.578
  370    HD1  TYR  52           HD1      TYR  52  -5.658  -0.454   3.271
  371    HD2  TYR  52           HD2      TYR  52  -7.738  -3.360   0.959
  372    HE1  TYR  52           HE1      TYR  52  -6.534   1.330   1.830
  373    HE2  TYR  52           HE2      TYR  52  -8.616  -1.579  -0.493
  374    HH   TYR  52           HH       TYR  52  -7.505   1.738  -0.206
  375    H    PHE  53           HN       PHE  53  -8.107  -5.146   5.651
  376    HA   PHE  53           HA       PHE  53  -5.768  -5.884   7.274
  377   1HB   PHE  53          HB2       PHE  53  -7.200  -3.820   8.075
  378   2HB   PHE  53          HB1       PHE  53  -8.314  -5.065   8.623
  379    HD1  PHE  53           HD1      PHE  53  -4.956  -3.647   9.017
  380    HD2  PHE  53           HD2      PHE  53  -7.855  -6.344  10.569
  381    HE1  PHE  53           HE1      PHE  53  -3.677  -3.807  11.111
  382    HE2  PHE  53           HE2      PHE  53  -6.577  -6.518  12.662
  383    HZ   PHE  53           HZ       PHE  53  -4.486  -5.244  12.938
  384    H    CYS  54           HN       CYS  54  -5.769  -8.032   7.425
  385    HA   CYS  54           HA       CYS  54  -8.054  -9.645   6.866
  386   1HB   CYS  54          HB2       CYS  54  -5.470 -10.444   8.234
  387   2HB   CYS  54          HB1       CYS  54  -6.648 -11.538   7.528
  388    H    GLN  55           HN       GLN  55  -9.652  -8.892   8.427
  389    HA   GLN  55           HA       GLN  55  -9.004  -9.390  11.217
  390   1HB   GLN  55          HB2       GLN  55 -10.441  -7.444  10.485
  391   2HB   GLN  55          HB1       GLN  55 -11.697  -8.614  10.099
  392   1HG   GLN  55          HG2       GLN  55 -11.773  -9.345  12.402
  393   2HG   GLN  55          HG1       GLN  55 -10.453  -8.252  12.814
  394   1HE2  GLN  55          HE21      GLN  55 -11.642  -7.152  14.320
  395   2HE2  GLN  55          HE22      GLN  55 -12.921  -6.068  13.887
  396    H    ASN  56           HN       ASN  56 -10.462 -10.942   8.556
  397    HA   ASN  56           HA       ASN  56 -10.925 -13.301  10.220
  398   1HB   ASN  56          HB2       ASN  56 -12.809 -12.171   8.146
  399   2HB   ASN  56          HB1       ASN  56 -12.881 -13.849   8.675
  400   1HD2  ASN  56          HD21      ASN  56 -13.487 -14.312  10.790
  401   2HD2  ASN  56          HD22      ASN  56 -14.330 -13.166  11.778
  402    H    GLY  57           HN       GLY  57 -11.123 -15.295   8.737
  403   1HA   GLY  57          HA2       GLY  57 -10.315 -16.573   6.979
  404   2HA   GLY  57          HA1       GLY  57  -9.800 -15.097   6.179
  405    H    HIS  58           HN       HIS  58  -7.883 -13.992   7.293
  406    HA   HIS  58           HA       HIS  58  -5.860 -16.059   7.736
  407   1HB   HIS  58          HB2       HIS  58  -5.407 -14.350   5.996
  408   2HB   HIS  58          HB1       HIS  58  -5.496 -13.090   7.220
  409    HD2  HIS  58           HD2      HIS  58  -3.555 -15.770   8.879
  410    HE1  HIS  58           HE1      HIS  58  -0.633 -13.536   6.785
  411    HE2  HIS  58           HE2      HIS  58  -1.047 -15.440   8.374
  412    H    GLY  59           HN       GLY  59  -6.161 -12.756   9.025
  413   1HA   GLY  59          HA2       GLY  59  -6.612 -13.029  11.640
  414   2HA   GLY  59          HA1       GLY  59  -4.973 -13.660  11.516
  415    H    LEU  60           HN       LEU  60  -6.043 -11.214  12.823
  416    HA   LEU  60           HA       LEU  60  -5.538  -8.935  11.256
  417   1HB   LEU  60          HB2       LEU  60  -5.560  -7.679  13.352
  418   2HB   LEU  60          HB1       LEU  60  -6.893  -8.808  13.261
  419    HG   LEU  60           HG       LEU  60  -4.388  -9.445  14.811
  420   1HD1  LEU  60          HD11      LEU  60  -6.875  -8.067  15.816
  421   2HD1  LEU  60          HD12      LEU  60  -5.280  -7.333  15.655
  422   3HD1  LEU  60          HD13      LEU  60  -5.536  -8.641  16.808
  423   1HD2  LEU  60          HD21      LEU  60  -5.883 -10.945  16.030
  424   2HD2  LEU  60          HD22      LEU  60  -5.888 -11.316  14.305
  425   3HD2  LEU  60          HD23      LEU  60  -7.235 -10.429  15.021
  426    H    ILE  61           HN       ILE  61  -3.687  -8.616  10.299
  427    HA   ILE  61           HA       ILE  61  -1.148  -9.164  11.579
  428    HB   ILE  61           HB       ILE  61  -1.675  -7.789   8.934
  429   1HG1  ILE  61          HG12      ILE  61  -2.659 -10.040   8.937
  430   2HG1  ILE  61          HG11      ILE  61  -1.260  -9.962   7.873
  431   1HG2  ILE  61          HG21      ILE  61   0.553  -7.383   9.808
  432   2HG2  ILE  61          HG22      ILE  61   0.625  -8.439   8.398
  433   3HG2  ILE  61          HG23      ILE  61   0.805  -9.117  10.016
  434   1HD1  ILE  61          HD11      ILE  61  -1.295 -12.033   9.139
  435   2HD1  ILE  61          HD12      ILE  61  -1.301 -11.122  10.650
  436   3HD1  ILE  61          HD13      ILE  61   0.101 -11.050   9.583
  437    H    SER  62           HN       SER  62   0.070  -7.665  12.628
  438    HA   SER  62           HA       SER  62  -0.944  -5.229  13.470
  439   1HB   SER  62          HB2       SER  62   0.919  -6.309  14.613
  440   2HB   SER  62          HB1       SER  62   1.953  -6.075  13.205
  441    HG   SER  62           HG       SER  62   1.594  -4.426  15.226
  442    H    LYS  63           HN       LYS  63  -0.690  -3.099  12.810
  443    HA   LYS  63           HA       LYS  63  -0.467  -2.709  10.000
  444   1HB   LYS  63          HB2       LYS  63  -0.629  -0.666  12.224
  445   2HB   LYS  63          HB1       LYS  63  -0.811  -0.317  10.508
  446   1HG   LYS  63          HG2       LYS  63  -2.747  -1.912  10.493
  447   2HG   LYS  63          HG1       LYS  63  -2.621  -1.965  12.252
  448   1HD   LYS  63          HD2       LYS  63  -2.898   0.513  12.277
  449   2HD   LYS  63          HD1       LYS  63  -3.190   0.451  10.536
  450   1HE   LYS  63          HE2       LYS  63  -5.072  -1.115  10.976
  451   2HE   LYS  63          HE1       LYS  63  -4.825  -0.863  12.702
  452   1HZ   LYS  63          HZ1       LYS  63  -5.140   1.597  12.155
  453   2HZ   LYS  63          HZ2       LYS  63  -6.510   0.598  12.138
  454   3HZ   LYS  63          HZ3       LYS  63  -5.790   1.060  10.674
  455    H    LYS  64           HN       LYS  64   1.827  -3.024  12.361
  456    HA   LYS  64           HA       LYS  64   3.828  -1.362  11.054
  457   1HB   LYS  64          HB2       LYS  64   4.038  -3.304  13.367
  458   2HB   LYS  64          HB1       LYS  64   5.335  -2.261  12.799
  459   1HG   LYS  64          HG2       LYS  64   2.703  -1.190  13.770
  460   2HG   LYS  64          HG1       LYS  64   4.074  -1.482  14.840
  461   1HD   LYS  64          HD2       LYS  64   4.136   0.305  12.411
  462   2HD   LYS  64          HD1       LYS  64   3.923   0.866  14.071
  463   1HE   LYS  64          HE2       LYS  64   6.321  -0.575  12.942
  464   2HE   LYS  64          HE1       LYS  64   6.235   1.122  13.414
  465   1HZ   LYS  64          HZ1       LYS  64   5.788   0.382  15.707
  466   2HZ   LYS  64          HZ2       LYS  64   7.300  -0.135  15.141
  467   3HZ   LYS  64          HZ3       LYS  64   6.006  -1.228  15.221
  468    H    ARG  65           HN       ARG  65   2.519  -4.482  10.842
  469    HA   ARG  65           HA       ARG  65   4.935  -5.555   9.567
  470   1HB   ARG  65          HB2       ARG  65   2.712  -6.809  11.088
  471   2HB   ARG  65          HB1       ARG  65   3.447  -7.746   9.796
  472   1HG   ARG  65          HG2       ARG  65   4.886  -6.545  12.152
  473   2HG   ARG  65          HG1       ARG  65   4.489  -8.251  11.922
  474   1HD   ARG  65          HD2       ARG  65   6.362  -6.564  10.264
  475   2HD   ARG  65          HD1       ARG  65   6.787  -7.921  11.309
  476    HE   ARG  65           HE       ARG  65   5.202  -9.171   9.632
  477   1HH1  ARG  65          HH11      ARG  65   7.706  -6.812   8.951
  478   2HH1  ARG  65          HH12      ARG  65   7.929  -7.328   7.306
  479   1HH2  ARG  65          HH21      ARG  65   5.507  -9.862   7.474
  480   2HH2  ARG  65          HH22      ARG  65   6.669  -9.062   6.460
  481    H    VAL  66           HN       VAL  66   1.657  -4.615   8.946
  482    HA   VAL  66           HA       VAL  66   1.316  -6.010   6.510
  483    HB   VAL  66           HB       VAL  66  -0.359  -4.286   5.925
  484   1HG1  VAL  66          HG11      VAL  66  -1.014  -6.179   7.305
  485   2HG1  VAL  66          HG12      VAL  66  -1.904  -4.729   7.767
  486   3HG1  VAL  66          HG13      VAL  66  -0.559  -5.290   8.759
  487   1HG2  VAL  66          HG21      VAL  66   0.693  -2.322   6.844
  488   2HG2  VAL  66          HG22      VAL  66   0.559  -2.972   8.476
  489   3HG2  VAL  66          HG23      VAL  66  -0.896  -2.533   7.581
  490    H    ASN  67           HN       ASN  67   1.800  -5.438   4.402
  491    HA   ASN  67           HA       ASN  67   4.081  -3.626   4.267
  492   1HB   ASN  67          HB2       ASN  67   3.077  -5.734   2.352
  493   2HB   ASN  67          HB1       ASN  67   4.428  -4.662   1.994
  494   1HD2  ASN  67          HD21      ASN  67   4.417  -7.552   2.224
  495   2HD2  ASN  67          HD22      ASN  67   5.529  -7.944   3.498
  496    H    PHE  68           HN       PHE  68   3.099  -1.627   4.251
  497    HA   PHE  68           HA       PHE  68   1.282  -0.857   2.173
  498   1HB   PHE  68          HB2       PHE  68   2.970   0.657   4.152
  499   2HB   PHE  68          HB1       PHE  68   2.159   1.502   2.842
  500    HD1  PHE  68           HD2      PHE  68   1.669  -0.421   5.936
  501    HD2  PHE  68           HD1      PHE  68  -0.196   1.832   2.845
  502    HE1  PHE  68           HE2      PHE  68  -0.384  -0.270   7.286
  503    HE2  PHE  68           HE1      PHE  68  -2.248   1.988   4.191
  504    HZ   PHE  68           HZ       PHE  68  -2.345   0.937   6.414
  505    H    VAL  69           HN       VAL  69   2.051  -1.320   0.178
  506    HA   VAL  69           HA       VAL  69   4.611  -0.079  -0.572
  507    HB   VAL  69           HB       VAL  69   5.054  -1.974  -2.093
  508   1HG1  VAL  69          HG11      VAL  69   5.720  -3.597  -0.376
  509   2HG1  VAL  69          HG12      VAL  69   4.710  -2.756   0.800
  510   3HG1  VAL  69          HG13      VAL  69   6.108  -1.943   0.095
  511   1HG2  VAL  69          HG21      VAL  69   2.765  -2.755  -2.405
  512   2HG2  VAL  69          HG22      VAL  69   2.700  -3.271  -0.718
  513   3HG2  VAL  69          HG23      VAL  69   3.804  -4.065  -1.843
  514    H    ILE  70           HN       ILE  70   4.835   0.281  -2.900
  515    HA   ILE  70           HA       ILE  70   2.356   1.216  -4.065
  516    HB   ILE  70           HB       ILE  70   5.130   1.318  -5.270
  517   1HG1  ILE  70          HG12      ILE  70   3.695   3.450  -3.665
  518   2HG1  ILE  70          HG11      ILE  70   5.016   2.458  -3.055
  519   1HG2  ILE  70          HG21      ILE  70   4.197   3.138  -6.625
  520   2HG2  ILE  70          HG22      ILE  70   2.626   2.898  -5.864
  521   3HG2  ILE  70          HG23      ILE  70   3.319   1.630  -6.875
  522   1HD1  ILE  70          HD11      ILE  70   5.820   4.641  -3.703
  523   2HD1  ILE  70          HD12      ILE  70   5.169   4.427  -5.328
  524   3HD1  ILE  70          HD13      ILE  70   6.494   3.408  -4.766
  525    H    SER  71           HN       SER  71   1.413  -0.890  -4.266
  526    HA   SER  71           HA       SER  71   2.586  -2.735  -6.167
  527   1HB   SER  71          HB2       SER  71   0.396  -3.993  -5.674
  528   2HB   SER  71          HB1       SER  71   1.535  -3.803  -4.339
  529    HG   SER  71           HG       SER  71  -0.954  -3.130  -4.299
  530    H    ASP  72           HN       ASP  72   0.377  -0.138  -6.125
  531    HA   ASP  72           HA       ASP  72  -0.880  -0.903  -8.645
  532   1HB   ASP  72          HB2       ASP  72  -2.257   0.063  -6.805
  533   2HB   ASP  72          HB1       ASP  72  -1.321   1.548  -6.921
  534    H    GLN  73           HN       GLN  73   0.489  -0.588 -10.314
  535    HA   GLN  73           HA       GLN  73   1.564   2.100 -10.692
  536   1HB   GLN  73          HB2       GLN  73   3.778   1.200 -11.336
  537   2HB   GLN  73          HB1       GLN  73   3.401   0.921  -9.644
  538   1HG   GLN  73          HG2       GLN  73   2.848  -1.383 -10.107
  539   2HG   GLN  73          HG1       GLN  73   3.104  -1.121 -11.832
  540   1HE2  GLN  73          HE21      GLN  73   5.190  -0.906 -12.616
  541   2HE2  GLN  73          HE22      GLN  73   6.581  -1.370 -11.696
  542    H    LEU  74           HN       LEU  74   2.613   2.238 -12.943
  543    HA   LEU  74           HA       LEU  74   0.904   0.771 -14.837
  544   1HB   LEU  74          HB2       LEU  74   2.114   3.530 -15.083
  545   2HB   LEU  74          HB1       LEU  74   1.258   2.708 -16.369
  546    HG   LEU  74           HG       LEU  74  -0.748   2.660 -14.764
  547   1HD1  LEU  74          HD11      LEU  74   0.459   3.253 -12.724
  548   2HD1  LEU  74          HD12      LEU  74  -0.805   4.428 -13.088
  549   3HD1  LEU  74          HD13      LEU  74   0.882   4.814 -13.425
  550   1HD2  LEU  74          HD21      LEU  74  -0.634   4.053 -16.754
  551   2HD2  LEU  74          HD22      LEU  74   0.259   5.281 -15.859
  552   3HD2  LEU  74          HD23      LEU  74  -1.414   4.917 -15.430
  553    H    GLU  75           HN       GLU  75   2.043  -0.796 -15.777
  554    HA   GLU  75           HA       GLU  75   4.886  -0.319 -16.327
  555   1HB   GLU  75          HB2       GLU  75   3.356  -2.651 -15.485
  556   2HB   GLU  75          HB1       GLU  75   4.406  -2.990 -16.855
  557   1HG   GLU  75          HG2       GLU  75   5.243  -1.825 -14.210
  558   2HG   GLU  75          HG1       GLU  75   5.539  -3.470 -14.777
  559    H    HIS  76           HN       HIS  76   5.697  -1.561 -18.254
  560    HA   HIS  76           HA       HIS  76   4.192  -2.189 -20.490
  561   1HB   HIS  76          HB2       HIS  76   4.495  -0.215 -21.952
  562   2HB   HIS  76          HB1       HIS  76   3.445   0.134 -20.588
  563    HD1  HIS  76           HD1      HIS  76   4.223   1.909 -18.917
  564    HD2  HIS  76           HD2      HIS  76   6.962   1.159 -21.956
  565    HE1  HIS  76           HE1      HIS  76   5.936   3.741 -18.753
  566    HE2  HIS  76           HE2      HIS  76   7.434   3.403 -20.752
  567    H    HIS  77           HN       HIS  77   7.068  -0.851 -19.124
  568    HA   HIS  77           HA       HIS  77   8.840  -2.750 -20.060
  569   1HB   HIS  77          HB2       HIS  77   8.304  -1.570 -22.295
  570   2HB   HIS  77          HB1       HIS  77   9.202  -0.200 -21.650
  571    HD1  HIS  77           HD1      HIS  77   9.668  -3.769 -22.752
  572    HD2  HIS  77           HD2      HIS  77  11.959  -0.456 -21.725
  573    HE1  HIS  77           HE1      HIS  77  12.036  -4.365 -23.358
  574    HE2  HIS  77           HE2      HIS  77  13.419  -2.458 -22.458
  575    H    HIS  78           HN       HIS  78   8.194  -1.396 -17.749
  576    HA   HIS  78           HA       HIS  78   8.985  -0.252 -15.982
  577   1HB   HIS  78          HB2       HIS  78  11.014  -1.726 -16.589
  578   2HB   HIS  78          HB1       HIS  78  11.720  -0.253 -17.245
  579    HD1  HIS  78           HD1      HIS  78  13.556   0.040 -15.544
  580    HD2  HIS  78           HD2      HIS  78   9.793  -0.380 -13.816
  581    HE1  HIS  78           HE1      HIS  78  13.867   0.556 -13.099
  582    HE2  HIS  78           HE2      HIS  78  11.641   0.011 -12.046
  583    H    HIS  79           HN       HIS  79  11.560   1.248 -17.742
  584    HA   HIS  79           HA       HIS  79  10.260   3.408 -18.918
  585   1HB   HIS  79          HB2       HIS  79   9.709   3.872 -16.450
  586   2HB   HIS  79          HB1       HIS  79  11.422   4.225 -16.247
  587    HD1  HIS  79           HD1      HIS  79  11.975   6.633 -16.479
  588    HD2  HIS  79           HD2      HIS  79   8.578   5.595 -18.652
  589    HE1  HIS  79           HE1      HIS  79  11.108   8.782 -17.463
  590    HE2  HIS  79           HE2      HIS  79   8.977   8.150 -18.653
  591    H    HIS  80           HN       HIS  80  13.006   3.542 -16.679
  592    HA   HIS  80           HA       HIS  80  14.980   3.023 -18.667
  593   1HB   HIS  80          HB2       HIS  80  14.241   5.359 -19.283
  594   2HB   HIS  80          HB1       HIS  80  14.804   5.889 -17.702
  595    HD1  HIS  80           HD1      HIS  80  17.347   6.092 -17.349
  596    HD2  HIS  80           HD2      HIS  80  16.262   4.749 -21.136
  597    HE1  HIS  80           HE1      HIS  80  19.434   6.229 -18.745
  598    HE2  HIS  80           HE2      HIS  80  18.803   5.201 -20.956
  599    H    HIS  81           HN       HIS  81  16.658   2.177 -17.572
  600    HA   HIS  81           HA       HIS  81  16.967   2.978 -14.753
  601   1HB   HIS  81          HB2       HIS  81  16.444   0.535 -15.284
  602   2HB   HIS  81          HB1       HIS  81  18.056   0.448 -15.988
  603    HD1  HIS  81           HD1      HIS  81  20.083   0.626 -14.331
  604    HD2  HIS  81           HD2      HIS  81  16.343   0.509 -12.521
  605    HE1  HIS  81           HE1      HIS  81  20.522   0.141 -11.904
  606    HE2  HIS  81           HE2      HIS  81  18.231  -0.167 -10.891
  Start of MODEL    3
    1   1H    MET   1          HT1       MET   1  17.306   2.619   3.589
    2   2H    MET   1          HT2       MET   1  15.737   2.929   3.029
    3   3H    MET   1          HT3       MET   1  15.964   2.054   4.460
    4    HA   MET   1           HA       MET   1  16.827   3.937   5.582
    5   1HB   MET   1          HB2       MET   1  18.016   4.963   3.724
    6   2HB   MET   1          HB1       MET   1  16.501   5.319   2.911
    7   1HG   MET   1          HG2       MET   1  17.363   7.320   3.902
    8   2HG   MET   1          HG1       MET   1  15.899   6.837   4.756
    9   1HE   MET   1          HE1       MET   1  18.137   8.521   7.519
   10   2HE   MET   1          HE2       MET   1  16.592   8.571   6.671
   11   3HE   MET   1          HE3       MET   1  18.081   8.961   5.812
   12    H    GLU   2           HN       GLU   2  14.437   4.646   3.035
   13    HA   GLU   2           HA       GLU   2  12.326   4.737   5.068
   14   1HB   GLU   2          HB2       GLU   2  12.805   6.919   3.023
   15   2HB   GLU   2          HB1       GLU   2  11.435   6.826   4.116
   16   1HG   GLU   2          HG2       GLU   2  13.025   7.010   6.018
   17   2HG   GLU   2          HG1       GLU   2  14.313   7.286   4.843
   18    H    ILE   3           HN       ILE   3  10.287   5.618   3.368
   19    HA   ILE   3           HA       ILE   3   9.862   3.462   1.554
   20    HB   ILE   3           HB       ILE   3   8.477   6.155   1.579
   21   1HG1  ILE   3          HG12      ILE   3   7.688   3.590   2.986
   22   2HG1  ILE   3          HG11      ILE   3   8.346   5.020   3.777
   23   1HG2  ILE   3          HG21      ILE   3   7.627   3.484   0.455
   24   2HG2  ILE   3          HG22      ILE   3   8.121   4.899  -0.474
   25   3HG2  ILE   3          HG23      ILE   3   6.641   4.945   0.482
   26   1HD1  ILE   3          HD11      ILE   3   5.729   4.853   2.299
   27   2HD1  ILE   3          HD12      ILE   3   6.387   6.300   3.062
   28   3HD1  ILE   3          HD13      ILE   3   5.943   4.908   4.049
   29    H    THR   4           HN       THR   4  10.270   6.910   1.027
   30    HA   THR   4           HA       THR   4  11.656   8.126  -0.272
   31    HB   THR   4           HB       THR   4  13.024   5.537  -1.000
   32    HG1  THR   4           HG1      THR   4  14.014   5.635   0.902
   33   1HG2  THR   4          HG21      THR   4  13.991   8.395  -0.936
   34   2HG2  THR   4          HG22      THR   4  13.649   7.453  -2.388
   35   3HG2  THR   4          HG23      THR   4  14.976   6.983  -1.323
   36    H    CYS   5           HN       CYS   5  11.077   9.064  -2.089
   37    HA   CYS   5           HA       CYS   5   9.773   7.636  -4.218
   38   1HB   CYS   5          HB2       CYS   5   9.312  10.045  -3.560
   39   2HB   CYS   5          HB1       CYS   5  10.859  10.462  -4.280
   40    HA   PRO   6           HA       PRO   6  13.522   5.946  -5.855
   41   1HB   PRO   6          HB2       PRO   6  11.926   5.987  -8.380
   42   2HB   PRO   6          HB1       PRO   6  12.846   4.666  -7.649
   43   1HG   PRO   6          HG2       PRO   6  10.202   4.701  -7.455
   44   2HG   PRO   6          HG1       PRO   6  11.198   4.217  -6.069
   45   1HD   PRO   6          HD2       PRO   6   9.752   6.783  -6.558
   46   2HD   PRO   6          HD1       PRO   6   9.998   5.895  -5.040
   47    H    VAL   7           HN       VAL   7  11.852   8.336  -7.908
   48    HA   VAL   7           HA       VAL   7  14.361   9.048  -9.176
   49    HB   VAL   7           HB       VAL   7  12.986  10.597 -10.537
   50   1HG1  VAL   7          HG11      VAL   7  11.788   8.864 -11.770
   51   2HG1  VAL   7          HG12      VAL   7  11.944   7.769 -10.398
   52   3HG1  VAL   7          HG13      VAL   7  13.382   8.299 -11.269
   53   1HG2  VAL   7          HG21      VAL   7  10.680   9.454  -8.957
   54   2HG2  VAL   7          HG22      VAL   7  10.545  10.492 -10.377
   55   3HG2  VAL   7          HG23      VAL   7  11.262  11.118  -8.891
   56    H    CYS   8           HN       CYS   8  13.507   9.727  -6.276
   57    HA   CYS   8           HA       CYS   8  14.364  12.540  -6.438
   58   1HB   CYS   8          HB2       CYS   8  12.371  11.355  -4.504
   59   2HB   CYS   8          HB1       CYS   8  13.022  12.985  -4.399
   60    H    HIS   9           HN       HIS   9  14.474   9.489  -4.710
   61    HA   HIS   9           HA       HIS   9  15.801   8.665  -3.064
   62   1HB   HIS   9          HB2       HIS   9  17.572  10.867  -4.101
   63   2HB   HIS   9          HB1       HIS   9  18.045   9.931  -2.687
   64    HD1  HIS   9           HD1      HIS   9  20.070   8.956  -4.007
   65    HD2  HIS   9           HD2      HIS   9  16.342   8.013  -5.604
   66    HE1  HIS   9           HE1      HIS   9  20.481   7.092  -5.646
   67    HE2  HIS   9           HE2      HIS   9  18.238   6.644  -6.711
   68    H    HIS  10           HN       HIS  10  13.755  10.696  -2.602
   69    HA   HIS  10           HA       HIS  10  14.659  11.650   0.023
   70   1HB   HIS  10          HB2       HIS  10  14.164  13.340  -2.086
   71   2HB   HIS  10          HB1       HIS  10  12.601  13.308  -1.274
   72    HD1  HIS  10           HD1      HIS  10  12.412  15.243   0.270
   73    HD2  HIS  10           HD2      HIS  10  16.287  13.741   0.108
   74    HE1  HIS  10           HE1      HIS  10  13.746  16.617   1.906
   75    HE2  HIS  10           HE2      HIS  10  16.014  15.515   1.973
   76    H    ALA  11           HN       ALA  11  12.825  12.072   1.504
   77    HA   ALA  11           HA       ALA  11  11.407   9.743   1.917
   78   1HB   ALA  11          HB1       ALA  11  10.257  10.941   3.696
   79   2HB   ALA  11          HB2       ALA  11  10.806  12.476   3.024
   80   3HB   ALA  11          HB3       ALA  11  11.978  11.328   3.668
   81    H    LEU  12           HN       LEU  12   9.300   9.120   1.798
   82    HA   LEU  12           HA       LEU  12   7.489  10.735   0.128
   83   1HB   LEU  12          HB2       LEU  12   7.748   7.772   0.526
   84   2HB   LEU  12          HB1       LEU  12   6.226   8.466   0.001
   85    HG   LEU  12           HG       LEU  12   8.855   8.691  -1.456
   86   1HD1  LEU  12          HD11      LEU  12   6.353   7.138  -2.104
   87   2HD1  LEU  12          HD12      LEU  12   7.878   6.450  -1.545
   88   3HD1  LEU  12          HD13      LEU  12   7.795   7.253  -3.114
   89   1HD2  LEU  12          HD21      LEU  12   7.530   9.720  -3.234
   90   2HD2  LEU  12          HD22      LEU  12   7.456  10.675  -1.752
   91   3HD2  LEU  12          HD23      LEU  12   6.096   9.650  -2.210
   92    H    GLU  13           HN       GLU  13   6.034  11.796   1.278
   93    HA   GLU  13           HA       GLU  13   5.548  11.191   4.019
   94   1HB   GLU  13          HB2       GLU  13   4.082  13.116   2.208
   95   2HB   GLU  13          HB1       GLU  13   4.036  13.103   3.965
   96   1HG   GLU  13          HG2       GLU  13   6.482  13.622   2.290
   97   2HG   GLU  13          HG1       GLU  13   5.498  14.852   3.083
   98    H    ARG  14           HN       ARG  14   4.428   9.470   4.562
   99    HA   ARG  14           HA       ARG  14   2.423   8.324   2.863
  100   1HB   ARG  14          HB2       ARG  14   3.966   6.966   4.261
  101   2HB   ARG  14          HB1       ARG  14   3.182   7.602   5.701
  102   1HG   ARG  14          HG2       ARG  14   1.089   6.553   5.048
  103   2HG   ARG  14          HG1       ARG  14   1.837   5.957   3.563
  104   1HD   ARG  14          HD2       ARG  14   1.813   4.163   5.137
  105   2HD   ARG  14          HD1       ARG  14   3.477   4.716   4.981
  106    HE   ARG  14           HE       ARG  14   1.702   5.202   7.280
  107   1HH1  ARG  14          HH11      ARG  14   4.906   5.229   5.860
  108   2HH1  ARG  14          HH12      ARG  14   5.714   5.470   7.378
  109   1HH2  ARG  14          HH21      ARG  14   2.748   5.480   9.259
  110   2HH2  ARG  14          HH22      ARG  14   4.487   5.584   9.327
  111    H    ASN  15           HN       ASN  15   0.451   9.130   2.718
  112    HA   ASN  15           HA       ASN  15  -0.782  10.355   5.097
  113   1HB   ASN  15          HB2       ASN  15  -1.305  10.635   2.143
  114   2HB   ASN  15          HB1       ASN  15  -2.531  11.085   3.319
  115   1HD2  ASN  15          HD21      ASN  15   0.908  11.484   3.855
  116   2HD2  ASN  15          HD22      ASN  15   0.901  13.214   3.832
  117    H    GLY  16           HN       GLY  16  -0.482   7.424   4.212
  118   1HA   GLY  16          HA2       GLY  16  -1.796   5.639   5.014
  119   2HA   GLY  16          HA1       GLY  16  -3.203   6.693   4.978
  120    H    ASP  17           HN       ASP  17  -4.163   7.176   2.933
  121    HA   ASP  17           HA       ASP  17  -4.473   4.886   1.299
  122   1HB   ASP  17          HB2       ASP  17  -6.248   6.578   1.687
  123   2HB   ASP  17          HB1       ASP  17  -5.323   7.742   0.748
  124    H    THR  18           HN       THR  18  -2.465   7.696   1.108
  125    HA   THR  18           HA       THR  18  -1.165   6.627  -1.262
  126    HB   THR  18           HB       THR  18  -2.825   8.177  -2.171
  127    HG1  THR  18           HG1      THR  18  -0.951   9.846  -2.831
  128   1HG2  THR  18          HG21      THR  18  -3.100   9.624  -0.211
  129   2HG2  THR  18          HG22      THR  18  -2.755  10.566  -1.661
  130   3HG2  THR  18          HG23      THR  18  -1.486  10.282  -0.470
  131    H    ALA  19           HN       ALA  19   0.933   7.513  -1.622
  132    HA   ALA  19           HA       ALA  19   2.093   8.908   0.699
  133   1HB   ALA  19          HB1       ALA  19   3.480   7.208  -1.376
  134   2HB   ALA  19          HB2       ALA  19   3.082   6.703   0.266
  135   3HB   ALA  19          HB3       ALA  19   4.248   8.000  -0.001
  136    H    HIS  20           HN       HIS  20   2.426  10.986   0.351
  137    HA   HIS  20           HA       HIS  20   2.368  11.952  -2.411
  138   1HB   HIS  20          HB2       HIS  20   0.719  12.819  -0.742
  139   2HB   HIS  20          HB1       HIS  20   2.060  13.508   0.164
  140    HD1  HIS  20           HD1      HIS  20   0.147  13.913  -3.045
  141    HD2  HIS  20           HD2      HIS  20   3.052  15.899  -0.816
  142    HE1  HIS  20           HE1      HIS  20   0.350  16.206  -4.071
  143    HE2  HIS  20           HE2      HIS  20   1.925  17.456  -2.545
  144    H    CYS  21           HN       CYS  21   4.208  12.492  -3.360
  145    HA   CYS  21           HA       CYS  21   6.615  12.844  -1.824
  146   1HB   CYS  21          HB2       CYS  21   6.471  11.744  -4.125
  147   2HB   CYS  21          HB1       CYS  21   6.276  13.366  -4.787
  148    H    GLU  22           HN       GLU  22   7.780  14.687  -1.548
  149    HA   GLU  22           HA       GLU  22   6.328  17.198  -1.792
  150   1HB   GLU  22          HB2       GLU  22   8.778  17.822  -0.723
  151   2HB   GLU  22          HB1       GLU  22   7.348  17.411   0.212
  152   1HG   GLU  22          HG2       GLU  22   9.179  16.145   1.056
  153   2HG   GLU  22          HG1       GLU  22   8.097  15.040   0.215
  154    H    THR  23           HN       THR  23   9.103  15.550  -2.992
  155    HA   THR  23           HA       THR  23   9.877  17.689  -4.823
  156    HB   THR  23           HB       THR  23  11.656  15.958  -5.428
  157    HG1  THR  23           HG1      THR  23  10.878  14.656  -3.011
  158   1HG2  THR  23          HG21      THR  23  11.472  16.814  -2.529
  159   2HG2  THR  23          HG22      THR  23  12.146  17.770  -3.849
  160   3HG2  THR  23          HG23      THR  23  12.941  16.276  -3.346
  161    H    CYS  24           HN       CYS  24   8.081  17.648  -6.271
  162    HA   CYS  24           HA       CYS  24   7.049  16.991  -8.224
  163   1HB   CYS  24          HB2       CYS  24   7.147  14.859  -9.244
  164   2HB   CYS  24          HB1       CYS  24   8.771  15.139  -8.640
  165    H    ALA  25           HN       ALA  25   4.947  17.017  -8.169
  166    HA   ALA  25           HA       ALA  25   3.575  16.309  -5.750
  167   1HB   ALA  25          HB1       ALA  25   3.043  18.368  -6.961
  168   2HB   ALA  25          HB2       ALA  25   1.627  17.327  -6.820
  169   3HB   ALA  25          HB3       ALA  25   2.505  17.419  -8.347
  170    H    LYS  26           HN       LYS  26   4.642  14.058  -6.911
  171    HA   LYS  26           HA       LYS  26   2.513  12.676  -8.336
  172   1HB   LYS  26          HB2       LYS  26   4.875  12.489  -9.082
  173   2HB   LYS  26          HB1       LYS  26   5.281  11.746  -7.544
  174   1HG   LYS  26          HG2       LYS  26   3.866   9.855  -8.047
  175   2HG   LYS  26          HG1       LYS  26   3.356  10.616  -9.555
  176   1HD   LYS  26          HD2       LYS  26   5.617  10.519 -10.411
  177   2HD   LYS  26          HD1       LYS  26   6.194   9.863  -8.879
  178   1HE   LYS  26          HE2       LYS  26   5.917   8.140 -10.620
  179   2HE   LYS  26          HE1       LYS  26   4.911   7.852  -9.202
  180   1HZ   LYS  26          HZ1       LYS  26   3.010   8.682 -10.376
  181   2HZ   LYS  26          HZ2       LYS  26   3.741   7.481 -11.318
  182   3HZ   LYS  26          HZ3       LYS  26   3.954   9.115 -11.720
  183    H    ASP  27           HN       ASP  27   1.089  11.438  -7.323
  184    HA   ASP  27           HA       ASP  27   1.574  10.792  -4.501
  185   1HB   ASP  27          HB2       ASP  27  -0.943  11.027  -6.135
  186   2HB   ASP  27          HB1       ASP  27  -0.937  10.187  -4.587
  187    H    PHE  28           HN       PHE  28   1.743   8.784  -3.790
  188    HA   PHE  28           HA       PHE  28   1.624   6.629  -5.788
  189   1HB   PHE  28          HB2       PHE  28   3.238   6.836  -3.236
  190   2HB   PHE  28          HB1       PHE  28   3.224   5.441  -4.307
  191    HD1  PHE  28           HD1      PHE  28   4.343   5.509  -6.451
  192    HD2  PHE  28           HD2      PHE  28   4.376   8.873  -3.846
  193    HE1  PHE  28           HE1      PHE  28   6.180   6.494  -7.755
  194    HE2  PHE  28           HE2      PHE  28   6.211   9.866  -5.147
  195    HZ   PHE  28           HZ       PHE  28   7.116   8.675  -7.103
  196    H    SER  29           HN       SER  29  -0.390   5.775  -5.578
  197    HA   SER  29           HA       SER  29  -1.872   5.497  -3.245
  198   1HB   SER  29          HB2       SER  29  -1.890   3.698  -5.681
  199   2HB   SER  29          HB1       SER  29  -3.169   3.812  -4.471
  200    HG   SER  29           HG       SER  29  -3.438   6.001  -5.065
  201    H    LEU  30           HN       LEU  30  -1.668   4.252  -1.514
  202    HA   LEU  30           HA       LEU  30   0.350   2.123  -1.588
  203   1HB   LEU  30          HB2       LEU  30  -0.869   3.584   0.756
  204   2HB   LEU  30          HB1       LEU  30   0.337   2.317   0.877
  205    HG   LEU  30           HG       LEU  30   0.745   4.996  -0.450
  206   1HD1  LEU  30          HD11      LEU  30   2.216   5.461   1.439
  207   2HD1  LEU  30          HD12      LEU  30   1.766   3.917   2.166
  208   3HD1  LEU  30          HD13      LEU  30   0.554   5.182   1.964
  209   1HD2  LEU  30          HD21      LEU  30   3.095   4.335  -0.561
  210   2HD2  LEU  30          HD22      LEU  30   2.071   3.239  -1.488
  211   3HD2  LEU  30          HD23      LEU  30   2.680   2.749   0.092
  212    H    GLN  31           HN       GLN  31  -0.228   0.075  -1.413
  213    HA   GLN  31           HA       GLN  31  -2.961  -0.502  -0.488
  214   1HB   GLN  31          HB2       GLN  31  -1.378  -1.992  -2.592
  215   2HB   GLN  31          HB1       GLN  31  -2.976  -2.441  -2.005
  216   1HG   GLN  31          HG2       GLN  31  -3.816  -0.244  -2.799
  217   2HG   GLN  31          HG1       GLN  31  -2.236   0.052  -3.517
  218   1HE2  GLN  31          HE21      GLN  31  -4.853  -0.143  -4.756
  219   2HE2  GLN  31          HE22      GLN  31  -4.735  -1.407  -5.934
  220    H    ALA  32           HN       ALA  32  -3.132  -1.790   1.193
  221    HA   ALA  32           HA       ALA  32  -0.723  -2.822   2.403
  222   1HB   ALA  32          HB1       ALA  32  -2.279  -3.384   4.292
  223   2HB   ALA  32          HB2       ALA  32  -3.581  -2.664   3.349
  224   3HB   ALA  32          HB3       ALA  32  -2.216  -1.678   3.860
  225    H    LEU  33           HN       LEU  33   0.017  -4.761   1.925
  226    HA   LEU  33           HA       LEU  33  -1.898  -6.927   1.348
  227   1HB   LEU  33          HB2       LEU  33   0.891  -6.423   0.337
  228   2HB   LEU  33          HB1       LEU  33   0.216  -8.038   0.336
  229    HG   LEU  33           HG       LEU  33  -0.048  -7.145  -1.849
  230   1HD1  LEU  33          HD11      LEU  33  -2.677  -7.019  -0.390
  231   2HD1  LEU  33          HD12      LEU  33  -1.908  -8.466  -1.048
  232   3HD1  LEU  33          HD13      LEU  33  -2.473  -7.194  -2.134
  233   1HD2  LEU  33          HD21      LEU  33  -1.268  -5.078  -2.314
  234   2HD2  LEU  33          HD22      LEU  33   0.182  -4.781  -1.356
  235   3HD2  LEU  33          HD23      LEU  33  -1.403  -4.770  -0.583
  236    H    CYS  34           HN       CYS  34  -1.181  -9.095   2.069
  237    HA   CYS  34           HA       CYS  34   0.171  -8.920   4.662
  238   1HB   CYS  34          HB2       CYS  34  -1.591 -11.037   3.432
  239   2HB   CYS  34          HB1       CYS  34  -0.713 -11.279   4.939
  240    HA   PRO  35           HA       PRO  35   3.802 -11.147   3.402
  241   1HB   PRO  35          HB2       PRO  35   3.333 -13.012   5.657
  242   2HB   PRO  35          HB1       PRO  35   4.738 -11.999   5.313
  243   1HG   PRO  35          HG2       PRO  35   3.044 -11.388   7.285
  244   2HG   PRO  35          HG1       PRO  35   3.798 -10.127   6.292
  245   1HD   PRO  35          HD2       PRO  35   1.018 -11.227   6.176
  246   2HD   PRO  35          HD1       PRO  35   1.580  -9.556   5.961
  247    H    ASP  36           HN       ASP  36   0.964 -13.042   4.335
  248    HA   ASP  36           HA       ASP  36   1.783 -15.210   2.541
  249   1HB   ASP  36          HB2       ASP  36   0.289 -16.615   3.664
  250   2HB   ASP  36          HB1       ASP  36   0.860 -15.562   4.954
  251    H    CYS  37           HN       CYS  37  -0.478 -12.603   2.820
  252    HA   CYS  37           HA       CYS  37  -2.075 -13.645   0.597
  253   1HB   CYS  37          HB2       CYS  37  -2.679 -11.223   2.304
  254   2HB   CYS  37          HB1       CYS  37  -3.774 -12.060   1.213
  255    H    ARG  38           HN       ARG  38  -0.961 -13.149  -1.238
  256    HA   ARG  38           HA       ARG  38  -0.030 -10.423  -1.679
  257   1HB   ARG  38          HB2       ARG  38  -0.104 -12.837  -3.503
  258   2HB   ARG  38          HB1       ARG  38   0.561 -11.272  -3.954
  259   1HG   ARG  38          HG2       ARG  38   1.560 -12.999  -1.700
  260   2HG   ARG  38          HG1       ARG  38   2.286 -12.890  -3.304
  261   1HD   ARG  38          HD2       ARG  38   2.625 -10.458  -2.927
  262   2HD   ARG  38          HD1       ARG  38   2.016 -10.665  -1.285
  263    HE   ARG  38           HE       ARG  38   4.262 -12.354  -2.021
  264   1HH1  ARG  38          HH11      ARG  38   3.213  -9.360  -0.533
  265   2HH1  ARG  38          HH12      ARG  38   4.680  -9.144   0.369
  266   1HH2  ARG  38          HH21      ARG  38   6.208 -12.053  -0.838
  267   2HH2  ARG  38          HH22      ARG  38   6.368 -10.667   0.201
  268    H    GLN  39           HN       GLN  39  -2.881 -11.970  -1.655
  269    HA   GLN  39           HA       GLN  39  -4.117 -10.608  -3.896
  270   1HB   GLN  39          HB2       GLN  39  -5.272 -12.384  -1.741
  271   2HB   GLN  39          HB1       GLN  39  -6.194 -11.716  -3.080
  272   1HG   GLN  39          HG2       GLN  39  -4.896 -12.980  -4.663
  273   2HG   GLN  39          HG1       GLN  39  -3.838 -13.565  -3.380
  274   1HE2  GLN  39          HE21      GLN  39  -7.277 -13.236  -2.937
  275   2HE2  GLN  39          HE22      GLN  39  -7.632 -14.928  -2.885
  276    HA   PRO  40           HA       PRO  40  -5.245  -6.900  -1.764
  277   1HB   PRO  40          HB2       PRO  40  -7.893  -7.364  -3.072
  278   2HB   PRO  40          HB1       PRO  40  -6.895  -5.904  -3.043
  279   1HG   PRO  40          HG2       PRO  40  -6.988  -7.426  -5.220
  280   2HG   PRO  40          HG1       PRO  40  -5.461  -6.695  -4.691
  281   1HD   PRO  40          HD2       PRO  40  -6.391  -9.520  -4.462
  282   2HD   PRO  40          HD1       PRO  40  -4.755  -8.888  -4.738
  283    H    LEU  41           HN       LEU  41  -5.705  -6.878   0.326
  284    HA   LEU  41           HA       LEU  41  -7.233  -8.912   1.590
  285   1HB   LEU  41          HB2       LEU  41  -6.522  -6.299   2.887
  286   2HB   LEU  41          HB1       LEU  41  -6.674  -7.879   3.624
  287    HG   LEU  41           HG       LEU  41  -4.431  -6.946   1.831
  288   1HD1  LEU  41          HD11      LEU  41  -3.067  -7.236   3.848
  289   2HD1  LEU  41          HD12      LEU  41  -4.523  -7.626   4.764
  290   3HD1  LEU  41          HD13      LEU  41  -4.326  -6.019   4.063
  291   1HD2  LEU  41          HD21      LEU  41  -3.378  -9.118   2.388
  292   2HD2  LEU  41          HD22      LEU  41  -4.825  -9.285   1.390
  293   3HD2  LEU  41          HD23      LEU  41  -4.898  -9.634   3.121
  294    H    GLN  42           HN       GLN  42  -8.808  -7.713   3.488
  295    HA   GLN  42           HA       GLN  42 -11.099  -7.118   1.873
  296   1HB   GLN  42          HB2       GLN  42 -11.271  -8.496   3.922
  297   2HB   GLN  42          HB1       GLN  42 -10.829  -7.093   4.885
  298   1HG   GLN  42          HG2       GLN  42 -13.232  -7.491   4.921
  299   2HG   GLN  42          HG1       GLN  42 -12.844  -5.940   4.177
  300   1HE2  GLN  42          HE21      GLN  42 -14.041  -9.156   3.655
  301   2HE2  GLN  42          HE22      GLN  42 -14.673  -8.888   2.070
  302    H    VAL  43           HN       VAL  43 -12.027  -5.206   1.504
  303    HA   VAL  43           HA       VAL  43 -10.414  -2.876   1.956
  304    HB   VAL  43           HB       VAL  43 -13.140  -3.131   0.665
  305   1HG1  VAL  43          HG11      VAL  43 -12.681  -0.935  -0.307
  306   2HG1  VAL  43          HG12      VAL  43 -11.177  -0.840   0.609
  307   3HG1  VAL  43          HG13      VAL  43 -12.726  -0.861   1.454
  308   1HG2  VAL  43          HG21      VAL  43 -11.421  -4.399  -0.514
  309   2HG2  VAL  43          HG22      VAL  43 -10.392  -2.968  -0.567
  310   3HG2  VAL  43          HG23      VAL  43 -11.916  -2.989  -1.453
  311    H    LEU  44           HN       LEU  44 -10.401  -2.127   3.978
  312    HA   LEU  44           HA       LEU  44 -12.980  -1.627   5.291
  313   1HB   LEU  44          HB2       LEU  44 -10.187  -1.580   6.445
  314   2HB   LEU  44          HB1       LEU  44 -11.665  -1.300   7.344
  315    HG   LEU  44           HG       LEU  44 -10.720  -3.900   6.120
  316   1HD1  LEU  44          HD11      LEU  44 -11.450  -3.162   8.955
  317   2HD1  LEU  44          HD12      LEU  44  -9.805  -3.224   8.323
  318   3HD1  LEU  44          HD13      LEU  44 -10.778  -4.694   8.394
  319   1HD2  LEU  44          HD21      LEU  44 -13.392  -3.272   7.378
  320   2HD2  LEU  44          HD22      LEU  44 -12.815  -4.879   6.935
  321   3HD2  LEU  44          HD23      LEU  44 -13.104  -3.669   5.684
  322    H    LYS  45           HN       LYS  45 -13.302   0.476   6.278
  323    HA   LYS  45           HA       LYS  45 -11.996   2.546   4.647
  324   1HB   LYS  45          HB2       LYS  45 -14.724   2.566   5.945
  325   2HB   LYS  45          HB1       LYS  45 -14.041   3.876   4.989
  326   1HG   LYS  45          HG2       LYS  45 -13.963   2.411   3.037
  327   2HG   LYS  45          HG1       LYS  45 -14.654   1.101   3.996
  328   1HD   LYS  45          HD2       LYS  45 -16.656   2.499   4.396
  329   2HD   LYS  45          HD1       LYS  45 -15.965   3.739   3.345
  330   1HE   LYS  45          HE2       LYS  45 -17.542   2.424   2.084
  331   2HE   LYS  45          HE1       LYS  45 -15.913   2.095   1.501
  332   1HZ   LYS  45          HZ1       LYS  45 -17.587   0.371   3.240
  333   2HZ   LYS  45          HZ2       LYS  45 -15.938   0.095   2.987
  334   3HZ   LYS  45          HZ3       LYS  45 -17.017   0.026   1.679
  335    H    ALA  46           HN       ALA  46 -10.700   3.895   5.620
  336    HA   ALA  46           HA       ALA  46 -11.194   4.566   8.448
  337   1HB   ALA  46          HB1       ALA  46  -8.562   4.643   6.971
  338   2HB   ALA  46          HB2       ALA  46  -9.060   3.390   8.108
  339   3HB   ALA  46          HB3       ALA  46  -8.817   5.045   8.669
  340    H    CYS  47           HN       CYS  47 -12.462   6.325   8.213
  341    HA   CYS  47           HA       CYS  47 -13.181   8.404   7.709
  342   1HB   CYS  47          HB2       CYS  47 -10.298   8.937   6.950
  343   2HB   CYS  47          HB1       CYS  47 -11.536  10.162   7.208
  344    HG   CYS  47           HG       CYS  47  -9.723   8.427   9.445
  345    H    GLY  48           HN       GLY  48 -10.704   8.570   5.209
  346   1HA   GLY  48          HA2       GLY  48 -12.732   7.891   3.183
  347   2HA   GLY  48          HA1       GLY  48 -11.766   9.353   3.021
  348    H    ALA  49           HN       ALA  49  -9.967   6.986   4.500
  349    HA   ALA  49           HA       ALA  49  -8.505   6.468   2.015
  350   1HB   ALA  49          HB1       ALA  49  -7.679   6.003   4.880
  351   2HB   ALA  49          HB2       ALA  49  -7.254   7.411   3.905
  352   3HB   ALA  49          HB3       ALA  49  -6.657   5.814   3.455
  353    H    VAL  50           HN       VAL  50  -7.998   4.395   1.331
  354    HA   VAL  50           HA       VAL  50  -9.831   2.331   2.271
  355    HB   VAL  50           HB       VAL  50  -7.940   2.326  -0.095
  356   1HG1  VAL  50          HG11      VAL  50  -8.394   0.068   0.688
  357   2HG1  VAL  50          HG12      VAL  50  -9.214   0.368  -0.843
  358   3HG1  VAL  50          HG13      VAL  50 -10.128   0.391   0.665
  359   1HG2  VAL  50          HG21      VAL  50  -9.723   3.983  -0.312
  360   2HG2  VAL  50          HG22      VAL  50 -10.928   2.740   0.026
  361   3HG2  VAL  50          HG23      VAL  50  -9.954   2.649  -1.442
  362    H    ASP  51           HN       ASP  51  -9.193   1.072   3.869
  363    HA   ASP  51           HA       ASP  51  -6.330   0.451   4.156
  364   1HB   ASP  51          HB2       ASP  51  -7.419   1.571   6.080
  365   2HB   ASP  51          HB1       ASP  51  -8.559   0.235   6.192
  366    H    TYR  52           HN       TYR  52  -5.740  -1.508   3.487
  367    HA   TYR  52           HA       TYR  52  -7.766  -3.552   3.116
  368   1HB   TYR  52          HB2       TYR  52  -4.832  -3.556   2.387
  369   2HB   TYR  52          HB1       TYR  52  -5.969  -4.828   1.987
  370    HD1  TYR  52           HD1      TYR  52  -4.975  -1.357   1.282
  371    HD2  TYR  52           HD2      TYR  52  -7.536  -4.572   0.183
  372    HE1  TYR  52           HE1      TYR  52  -5.543  -0.184  -0.802
  373    HE2  TYR  52           HE2      TYR  52  -8.113  -3.407  -1.905
  374    HH   TYR  52           HH       TYR  52  -8.107  -1.242  -2.869
  375    H    PHE  53           HN       PHE  53  -8.243  -4.863   4.666
  376    HA   PHE  53           HA       PHE  53  -6.227  -5.983   6.470
  377   1HB   PHE  53          HB2       PHE  53  -7.104  -3.722   7.335
  378   2HB   PHE  53          HB1       PHE  53  -8.643  -4.534   7.551
  379    HD1  PHE  53           HD2      PHE  53  -5.143  -4.366   8.687
  380    HD2  PHE  53           HD1      PHE  53  -9.022  -5.989   9.381
  381    HE1  PHE  53           HE2      PHE  53  -4.449  -5.068  10.935
  382    HE2  PHE  53           HE1      PHE  53  -8.329  -6.684  11.635
  383    HZ   PHE  53           HZ       PHE  53  -6.039  -6.222  12.413
  384    H    CYS  54           HN       CYS  54  -6.709  -8.069   5.879
  385    HA   CYS  54           HA       CYS  54  -9.400  -8.754   5.140
  386   1HB   CYS  54          HB2       CYS  54  -8.322 -11.065   4.785
  387   2HB   CYS  54          HB1       CYS  54  -7.812  -9.737   3.749
  388    H    GLN  55           HN       GLN  55 -10.540  -8.520   7.066
  389    HA   GLN  55           HA       GLN  55 -10.078 -10.106   9.373
  390   1HB   GLN  55          HB2       GLN  55 -12.672  -8.933   8.346
  391   2HB   GLN  55          HB1       GLN  55 -12.388  -9.520   9.976
  392   1HG   GLN  55          HG2       GLN  55 -10.639  -7.369   8.897
  393   2HG   GLN  55          HG1       GLN  55 -12.274  -6.966   9.407
  394   1HE2  GLN  55          HE21      GLN  55 -10.407  -9.481  10.961
  395   2HE2  GLN  55          HE22      GLN  55 -10.161  -8.636  12.444
  396    H    ASN  56           HN       ASN  56 -11.427 -10.701   6.285
  397    HA   ASN  56           HA       ASN  56 -12.388 -13.349   7.122
  398   1HB   ASN  56          HB2       ASN  56 -14.166 -12.200   6.039
  399   2HB   ASN  56          HB1       ASN  56 -13.106 -11.591   4.774
  400   1HD2  ASN  56          HD21      ASN  56 -14.890 -14.339   5.945
  401   2HD2  ASN  56          HD22      ASN  56 -14.766 -15.281   4.497
  402    H    GLY  57           HN       GLY  57 -11.199 -15.055   6.582
  403   1HA   GLY  57          HA2       GLY  57  -9.986 -16.445   5.145
  404   2HA   GLY  57          HA1       GLY  57  -9.761 -15.088   4.049
  405    H    HIS  58           HN       HIS  58  -9.079 -14.439   7.319
  406    HA   HIS  58           HA       HIS  58  -6.375 -15.275   7.420
  407   1HB   HIS  58          HB2       HIS  58  -6.153 -13.536   5.670
  408   2HB   HIS  58          HB1       HIS  58  -6.823 -12.347   6.780
  409    HD2  HIS  58           HD2      HIS  58  -5.083 -11.829   9.064
  410    HE1  HIS  58           HE1      HIS  58  -1.620 -13.125   6.992
  411    HE2  HIS  58           HE2      HIS  58  -2.512 -12.084   9.100
  412    H    GLY  59           HN       GLY  59  -7.954 -12.221   8.376
  413   1HA   GLY  59          HA2       GLY  59  -9.021 -12.422  10.705
  414   2HA   GLY  59          HA1       GLY  59  -7.414 -12.957  11.179
  415    H    LEU  60           HN       LEU  60  -5.778 -11.470  11.426
  416    HA   LEU  60           HA       LEU  60  -6.225  -8.702  10.692
  417   1HB   LEU  60          HB2       LEU  60  -5.915  -7.926  13.072
  418   2HB   LEU  60          HB1       LEU  60  -7.461  -8.664  12.716
  419    HG   LEU  60           HG       LEU  60  -6.336 -10.824  13.688
  420   1HD1  LEU  60          HD11      LEU  60  -4.095  -9.931  13.919
  421   2HD1  LEU  60          HD12      LEU  60  -4.765 -10.328  15.501
  422   3HD1  LEU  60          HD13      LEU  60  -4.695  -8.649  14.971
  423   1HD2  LEU  60          HD21      LEU  60  -7.252  -8.520  15.400
  424   2HD2  LEU  60          HD22      LEU  60  -7.165 -10.206  15.912
  425   3HD2  LEU  60          HD23      LEU  60  -8.282  -9.730  14.632
  426    H    ILE  61           HN       ILE  61  -4.367  -7.427  10.842
  427    HA   ILE  61           HA       ILE  61  -1.873  -8.881  11.421
  428    HB   ILE  61           HB       ILE  61  -2.104  -6.898   9.158
  429   1HG1  ILE  61          HG12      ILE  61  -1.914  -9.100   7.730
  430   2HG1  ILE  61          HG11      ILE  61  -2.683  -9.838   9.130
  431   1HG2  ILE  61          HG21      ILE  61   0.125  -7.302  10.034
  432   2HG2  ILE  61          HG22      ILE  61  -0.030  -7.941   8.397
  433   3HG2  ILE  61          HG23      ILE  61  -0.075  -9.037   9.778
  434   1HD1  ILE  61          HD11      ILE  61  -4.560  -8.295   8.912
  435   2HD1  ILE  61          HD12      ILE  61  -4.318  -9.238   7.441
  436   3HD1  ILE  61          HD13      ILE  61  -3.789  -7.558   7.508
  437    H    SER  62           HN       SER  62  -0.369  -7.708  12.558
  438    HA   SER  62           HA       SER  62  -0.993  -5.229  13.725
  439   1HB   SER  62          HB2       SER  62   0.708  -6.757  14.666
  440   2HB   SER  62          HB1       SER  62   1.736  -6.475  13.263
  441    HG   SER  62           HG       SER  62   1.093  -4.751  15.392
  442    H    LYS  63           HN       LYS  63  -0.856  -3.196  12.943
  443    HA   LYS  63           HA       LYS  63  -0.565  -2.870  10.153
  444   1HB   LYS  63          HB2       LYS  63  -1.024  -0.989  12.434
  445   2HB   LYS  63          HB1       LYS  63  -0.669  -0.352  10.832
  446   1HG   LYS  63          HG2       LYS  63  -2.926  -2.232  11.504
  447   2HG   LYS  63          HG1       LYS  63  -3.070  -0.491  11.237
  448   1HD   LYS  63          HD2       LYS  63  -2.375  -0.715   8.959
  449   2HD   LYS  63          HD1       LYS  63  -1.961  -2.413   9.198
  450   1HE   LYS  63          HE2       LYS  63  -4.069  -2.176   8.003
  451   2HE   LYS  63          HE1       LYS  63  -4.307  -2.941   9.572
  452   1HZ   LYS  63          HZ1       LYS  63  -4.686  -0.037   9.194
  453   2HZ   LYS  63          HZ2       LYS  63  -5.284  -1.027  10.439
  454   3HZ   LYS  63          HZ3       LYS  63  -5.929  -1.139   8.869
  455    H    LYS  64           HN       LYS  64   1.805  -2.964  12.554
  456    HA   LYS  64           HA       LYS  64   3.675  -1.235  11.167
  457   1HB   LYS  64          HB2       LYS  64   3.714  -1.469  13.643
  458   2HB   LYS  64          HB1       LYS  64   4.175  -3.155  13.452
  459   1HG   LYS  64          HG2       LYS  64   6.207  -2.373  12.224
  460   2HG   LYS  64          HG1       LYS  64   5.758  -0.725  12.657
  461   1HD   LYS  64          HD2       LYS  64   6.325  -2.958  14.606
  462   2HD   LYS  64          HD1       LYS  64   7.436  -1.653  14.187
  463   1HE   LYS  64          HE2       LYS  64   4.732  -1.338  15.494
  464   2HE   LYS  64          HE1       LYS  64   6.294  -1.214  16.305
  465   1HZ   LYS  64          HZ1       LYS  64   5.257   0.588  14.182
  466   2HZ   LYS  64          HZ2       LYS  64   6.817   0.675  14.838
  467   3HZ   LYS  64          HZ3       LYS  64   5.464   0.964  15.823
  468    H    ARG  65           HN       ARG  65   2.658  -4.489  11.056
  469    HA   ARG  65           HA       ARG  65   5.124  -5.299   9.661
  470   1HB   ARG  65          HB2       ARG  65   3.106  -6.984  11.154
  471   2HB   ARG  65          HB1       ARG  65   4.473  -7.626  10.252
  472   1HG   ARG  65          HG2       ARG  65   6.008  -6.438  11.742
  473   2HG   ARG  65          HG1       ARG  65   4.630  -5.814  12.652
  474   1HD   ARG  65          HD2       ARG  65   5.626  -7.758  13.751
  475   2HD   ARG  65          HD1       ARG  65   3.970  -8.080  13.239
  476    HE   ARG  65           HE       ARG  65   5.927  -8.891  11.297
  477   1HH1  ARG  65          HH11      ARG  65   4.234  -9.831  14.215
  478   2HH1  ARG  65          HH12      ARG  65   4.458 -11.535  13.946
  479   1HH2  ARG  65          HH21      ARG  65   6.206 -11.119  10.926
  480   2HH2  ARG  65          HH22      ARG  65   5.556 -12.273  12.056
  481    H    VAL  66           HN       VAL  66   2.351  -4.091   8.852
  482    HA   VAL  66           HA       VAL  66   1.344  -6.035   6.990
  483    HB   VAL  66           HB       VAL  66   0.764  -3.072   7.247
  484   1HG1  VAL  66          HG11      VAL  66   0.343  -3.884   4.970
  485   2HG1  VAL  66          HG12      VAL  66  -1.155  -3.481   5.810
  486   3HG1  VAL  66          HG13      VAL  66  -0.678  -5.168   5.622
  487   1HG2  VAL  66          HG21      VAL  66  -1.336  -3.803   8.261
  488   2HG2  VAL  66          HG22      VAL  66   0.054  -4.386   9.179
  489   3HG2  VAL  66          HG23      VAL  66  -0.824  -5.486   8.117
  490    H    ASN  67           HN       ASN  67   1.765  -6.180   4.828
  491    HA   ASN  67           HA       ASN  67   4.150  -4.794   3.914
  492   1HB   ASN  67          HB2       ASN  67   3.810  -7.285   3.621
  493   2HB   ASN  67          HB1       ASN  67   2.553  -6.906   2.450
  494   1HD2  ASN  67          HD21      ASN  67   3.125  -6.076   0.450
  495   2HD2  ASN  67          HD22      ASN  67   4.754  -6.120  -0.145
  496    H    PHE  68           HN       PHE  68   2.702  -2.789   4.037
  497    HA   PHE  68           HA       PHE  68   1.037  -2.420   1.703
  498   1HB   PHE  68          HB2       PHE  68   1.020   0.027   2.567
  499   2HB   PHE  68          HB1       PHE  68   0.162  -1.201   3.485
  500    HD1  PHE  68           HD2      PHE  68   3.159   0.942   3.401
  501    HD2  PHE  68           HD1      PHE  68   0.825  -1.783   5.689
  502    HE1  PHE  68           HE2      PHE  68   4.396   1.585   5.428
  503    HE2  PHE  68           HE1      PHE  68   2.054  -1.139   7.718
  504    HZ   PHE  68           HZ       PHE  68   3.842   0.543   7.591
  505    H    VAL  69           HN       VAL  69   1.771  -1.895  -0.201
  506    HA   VAL  69           HA       VAL  69   4.392  -0.567  -0.390
  507    HB   VAL  69           HB       VAL  69   4.798  -1.867  -2.479
  508   1HG1  VAL  69          HG11      VAL  69   5.423  -3.960  -1.355
  509   2HG1  VAL  69          HG12      VAL  69   4.434  -3.503   0.032
  510   3HG1  VAL  69          HG13      VAL  69   5.851  -2.543  -0.396
  511   1HG2  VAL  69          HG21      VAL  69   2.393  -3.441  -1.561
  512   2HG2  VAL  69          HG22      VAL  69   3.495  -3.926  -2.849
  513   3HG2  VAL  69          HG23      VAL  69   2.511  -2.473  -3.030
  514    H    ILE  70           HN       ILE  70   4.724   0.200  -2.760
  515    HA   ILE  70           HA       ILE  70   2.562   2.033  -3.300
  516    HB   ILE  70           HB       ILE  70   5.247   1.680  -4.633
  517   1HG1  ILE  70          HG12      ILE  70   4.237   3.822  -2.752
  518   2HG1  ILE  70          HG11      ILE  70   5.313   2.505  -2.303
  519   1HG2  ILE  70          HG21      ILE  70   3.722   2.585  -6.248
  520   2HG2  ILE  70          HG22      ILE  70   4.785   3.875  -5.686
  521   3HG2  ILE  70          HG23      ILE  70   3.131   3.770  -5.087
  522   1HD1  ILE  70          HD11      ILE  70   5.925   4.694  -4.271
  523   2HD1  ILE  70          HD12      ILE  70   7.003   3.364  -3.844
  524   3HD1  ILE  70          HD13      ILE  70   6.548   4.559  -2.627
  525    H    SER  71           HN       SER  71   0.892   1.364  -4.426
  526    HA   SER  71           HA       SER  71   1.372   0.089  -7.014
  527   1HB   SER  71          HB2       SER  71   0.731  -1.698  -5.383
  528   2HB   SER  71          HB1       SER  71  -0.772  -0.832  -5.074
  529    HG   SER  71           HG       SER  71  -1.484  -1.993  -6.669
  530    H    ASP  72           HN       ASP  72   1.051   2.198  -7.799
  531    HA   ASP  72           HA       ASP  72  -1.474   3.515  -7.174
  532   1HB   ASP  72          HB2       ASP  72  -0.491   5.485  -8.212
  533   2HB   ASP  72          HB1       ASP  72   0.628   4.806  -7.038
  534    H    GLN  73           HN       GLN  73  -0.128   1.574  -9.624
  535    HA   GLN  73           HA       GLN  73  -2.260   2.432 -11.455
  536   1HB   GLN  73          HB2       GLN  73   0.565   1.635 -12.143
  537   2HB   GLN  73          HB1       GLN  73  -0.728   1.713 -13.333
  538   1HG   GLN  73          HG2       GLN  73   0.260   4.007 -11.650
  539   2HG   GLN  73          HG1       GLN  73   0.637   3.728 -13.351
  540   1HE2  GLN  73          HE21      GLN  73  -0.690   5.982 -12.045
  541   2HE2  GLN  73          HE22      GLN  73  -2.233   6.144 -12.809
  542    H    LEU  74           HN       LEU  74  -3.647   0.820 -10.711
  543    HA   LEU  74           HA       LEU  74  -2.927  -1.940 -11.289
  544   1HB   LEU  74          HB2       LEU  74  -5.521  -0.695 -10.361
  545   2HB   LEU  74          HB1       LEU  74  -5.294  -2.410 -10.634
  546    HG   LEU  74           HG       LEU  74  -3.896  -0.740  -8.544
  547   1HD1  LEU  74          HD11      LEU  74  -6.233  -1.189  -8.040
  548   2HD1  LEU  74          HD12      LEU  74  -5.174  -2.113  -6.975
  549   3HD1  LEU  74          HD13      LEU  74  -5.977  -2.910  -8.329
  550   1HD2  LEU  74          HD21      LEU  74  -2.435  -2.502  -9.417
  551   2HD2  LEU  74          HD22      LEU  74  -3.693  -3.698  -9.109
  552   3HD2  LEU  74          HD23      LEU  74  -2.941  -2.841  -7.763
  553    H    GLU  75           HN       GLU  75  -5.131  -2.994 -12.414
  554    HA   GLU  75           HA       GLU  75  -4.966  -2.276 -15.133
  555   1HB   GLU  75          HB2       GLU  75  -7.242  -3.754 -13.800
  556   2HB   GLU  75          HB1       GLU  75  -6.775  -3.832 -15.493
  557   1HG   GLU  75          HG2       GLU  75  -4.726  -4.965 -14.917
  558   2HG   GLU  75          HG1       GLU  75  -5.079  -4.790 -13.198
  559    H    HIS  76           HN       HIS  76  -7.114  -1.371 -12.524
  560    HA   HIS  76           HA       HIS  76  -8.540   0.373 -12.244
  561   1HB   HIS  76          HB2       HIS  76  -7.184   1.252 -14.770
  562   2HB   HIS  76          HB1       HIS  76  -8.593   2.127 -14.185
  563    HD1  HIS  76           HD1      HIS  76  -4.971   1.645 -13.582
  564    HD2  HIS  76           HD2      HIS  76  -8.202   3.478 -11.711
  565    HE1  HIS  76           HE1      HIS  76  -3.975   3.195 -11.864
  566    HE2  HIS  76           HE2      HIS  76  -5.948   4.343 -10.788
  567    H    HIS  77           HN       HIS  77  -9.008  -2.083 -14.121
  568    HA   HIS  77           HA       HIS  77 -10.586  -2.945 -15.499
  569   1HB   HIS  77          HB2       HIS  77 -11.943  -2.654 -13.461
  570   2HB   HIS  77          HB1       HIS  77 -12.379  -1.030 -13.981
  571    HD1  HIS  77           HD1      HIS  77 -14.565  -0.891 -15.116
  572    HD2  HIS  77           HD2      HIS  77 -12.856  -4.662 -15.517
  573    HE1  HIS  77           HE1      HIS  77 -16.250  -2.268 -16.377
  574    HE2  HIS  77           HE2      HIS  77 -15.242  -4.573 -16.521
  575    H    HIS  78           HN       HIS  78  -9.531  -1.983 -17.327
  576    HA   HIS  78           HA       HIS  78 -10.224   0.605 -18.265
  577   1HB   HIS  78          HB2       HIS  78  -8.857  -1.730 -19.588
  578   2HB   HIS  78          HB1       HIS  78  -9.201  -0.238 -20.458
  579    HD1  HIS  78           HD1      HIS  78  -6.293  -1.251 -19.930
  580    HD2  HIS  78           HD2      HIS  78  -8.323   1.551 -17.617
  581    HE1  HIS  78           HE1      HIS  78  -4.513   0.100 -18.769
  582    HE2  HIS  78           HE2      HIS  78  -5.766   1.647 -17.228
  583    H    HIS  79           HN       HIS  79 -12.363   0.878 -18.435
  584    HA   HIS  79           HA       HIS  79 -13.908  -0.971 -20.078
  585   1HB   HIS  79          HB2       HIS  79 -15.893   0.138 -19.196
  586   2HB   HIS  79          HB1       HIS  79 -14.839  -0.341 -17.871
  587    HD1  HIS  79           HD1      HIS  79 -16.493   2.586 -19.393
  588    HD2  HIS  79           HD2      HIS  79 -13.483   1.871 -16.612
  589    HE1  HIS  79           HE1      HIS  79 -16.153   4.760 -18.187
  590    HE2  HIS  79           HE2      HIS  79 -14.234   4.347 -16.606
  591    H    HIS  80           HN       HIS  80 -14.151  -0.549 -22.156
  592    HA   HIS  80           HA       HIS  80 -13.849   2.173 -23.133
  593   1HB   HIS  80          HB2       HIS  80 -14.258  -0.483 -24.513
  594   2HB   HIS  80          HB1       HIS  80 -14.327   1.046 -25.383
  595    HD1  HIS  80           HD1      HIS  80 -12.223   0.559 -26.773
  596    HD2  HIS  80           HD2      HIS  80 -11.572   0.486 -22.665
  597    HE1  HIS  80           HE1      HIS  80  -9.727   0.563 -26.479
  598    HE2  HIS  80           HE2      HIS  80  -9.359   0.706 -23.988
  599    H    HIS  81           HN       HIS  81 -15.486   3.503 -23.309
  600    HA   HIS  81           HA       HIS  81 -17.574   4.371 -23.182
  601   1HB   HIS  81          HB2       HIS  81 -18.378   1.667 -24.271
  602   2HB   HIS  81          HB1       HIS  81 -19.515   2.978 -23.992
  603    HD1  HIS  81           HD1      HIS  81 -19.817   4.603 -25.847
  604    HD2  HIS  81           HD2      HIS  81 -16.361   2.333 -26.287
  605    HE1  HIS  81           HE1      HIS  81 -18.913   5.180 -28.121
  606    HE2  HIS  81           HE2      HIS  81 -16.885   3.717 -28.416
  Start of MODEL    4
    1   1H    MET   1          HT1       MET   1  11.141  -1.318   5.742
    2   2H    MET   1          HT2       MET   1   9.793  -0.290   5.676
    3   3H    MET   1          HT3       MET   1  11.103   0.092   6.679
    4    HA   MET   1           HA       MET   1  12.520   0.530   4.878
    5   1HB   MET   1          HB2       MET   1  10.237  -0.448   3.147
    6   2HB   MET   1          HB1       MET   1  11.678   0.350   2.532
    7   1HG   MET   1          HG2       MET   1  13.045  -1.470   3.486
    8   2HG   MET   1          HG1       MET   1  11.563  -2.282   3.983
    9   1HE   MET   1          HE1       MET   1  12.732  -4.543   1.036
   10   2HE   MET   1          HE2       MET   1  12.246  -4.475   2.730
   11   3HE   MET   1          HE3       MET   1  13.762  -3.735   2.217
   12    H    GLU   2           HN       GLU   2  12.696   2.643   4.443
   13    HA   GLU   2           HA       GLU   2  10.443   4.323   5.108
   14   1HB   GLU   2          HB2       GLU   2  12.721   4.813   5.923
   15   2HB   GLU   2          HB1       GLU   2  13.252   5.061   4.267
   16   1HG   GLU   2          HG2       GLU   2  12.024   7.037   4.049
   17   2HG   GLU   2          HG1       GLU   2  11.032   6.677   5.463
   18    H    ILE   3           HN       ILE   3   9.306   5.634   3.764
   19    HA   ILE   3           HA       ILE   3   9.023   4.737   1.090
   20    HB   ILE   3           HB       ILE   3   7.827   7.261   2.233
   21   1HG1  ILE   3          HG12      ILE   3   6.748   4.433   2.424
   22   2HG1  ILE   3          HG11      ILE   3   7.454   5.331   3.763
   23   1HG2  ILE   3          HG21      ILE   3   7.573   6.949  -0.173
   24   2HG2  ILE   3          HG22      ILE   3   6.021   6.785   0.649
   25   3HG2  ILE   3          HG23      ILE   3   6.884   5.348   0.097
   26   1HD1  ILE   3          HD11      ILE   3   4.963   6.086   2.255
   27   2HD1  ILE   3          HD12      ILE   3   5.667   6.981   3.603
   28   3HD1  ILE   3          HD13      ILE   3   5.029   5.357   3.858
   29    H    THR   4           HN       THR   4  10.447   5.201  -0.434
   30    HA   THR   4           HA       THR   4  11.324   7.984  -0.756
   31    HB   THR   4           HB       THR   4  13.494   6.881  -1.701
   32    HG1  THR   4           HG1      THR   4  12.695   4.874   0.166
   33   1HG2  THR   4          HG21      THR   4  13.419   8.319   0.288
   34   2HG2  THR   4          HG22      THR   4  14.546   6.979   0.505
   35   3HG2  THR   4          HG23      THR   4  12.960   6.930   1.273
   36    H    CYS   5           HN       CYS   5  11.489   8.707  -2.870
   37    HA   CYS   5           HA       CYS   5  10.010   7.209  -4.837
   38   1HB   CYS   5          HB2       CYS   5   9.814   9.689  -4.564
   39   2HB   CYS   5          HB1       CYS   5  11.460   9.847  -5.161
   40    HA   PRO   6           HA       PRO   6  13.486   5.118  -6.525
   41   1HB   PRO   6          HB2       PRO   6  12.430   4.344  -8.898
   42   2HB   PRO   6          HB1       PRO   6  11.966   3.619  -7.354
   43   1HG   PRO   6          HG2       PRO   6  10.565   5.729  -8.954
   44   2HG   PRO   6          HG1       PRO   6   9.884   4.315  -8.129
   45   1HD   PRO   6          HD2       PRO   6   9.790   6.802  -7.067
   46   2HD   PRO   6          HD1       PRO   6   9.919   5.341  -6.067
   47    H    VAL   7           HN       VAL   7  12.399   8.051  -7.796
   48    HA   VAL   7           HA       VAL   7  14.612   8.066  -9.731
   49    HB   VAL   7           HB       VAL   7  12.533   8.313 -10.936
   50   1HG1  VAL   7          HG11      VAL   7  11.956  10.685  -9.170
   51   2HG1  VAL   7          HG12      VAL   7  11.095   9.146  -9.167
   52   3HG1  VAL   7          HG13      VAL   7  11.018  10.199 -10.580
   53   1HG2  VAL   7          HG21      VAL   7  14.423   9.562 -11.779
   54   2HG2  VAL   7          HG22      VAL   7  14.023  10.925 -10.733
   55   3HG2  VAL   7          HG23      VAL   7  12.937  10.474 -12.048
   56    H    CYS   8           HN       CYS   8  12.752  10.175  -7.532
   57    HA   CYS   8           HA       CYS   8  15.228  11.680  -7.097
   58   1HB   CYS   8          HB2       CYS   8  13.787  13.407  -6.048
   59   2HB   CYS   8          HB1       CYS   8  13.373  13.105  -7.730
   60    H    HIS   9           HN       HIS   9  16.297  10.395  -5.693
   61    HA   HIS   9           HA       HIS   9  15.209   8.979  -3.545
   62   1HB   HIS   9          HB2       HIS   9  17.455   8.559  -4.496
   63   2HB   HIS   9          HB1       HIS   9  18.023  10.066  -3.791
   64    HD1  HIS   9           HD1      HIS   9  16.643   6.705  -2.694
   65    HD2  HIS   9           HD2      HIS   9  18.984   9.823  -1.247
   66    HE1  HIS   9           HE1      HIS   9  17.528   5.915  -0.475
   67    HE2  HIS   9           HE2      HIS   9  18.771   7.896   0.469
   68    H    HIS  10           HN       HIS  10  13.769  10.323  -2.491
   69    HA   HIS  10           HA       HIS  10  14.965  11.845  -0.313
   70   1HB   HIS  10          HB2       HIS  10  12.675  12.941  -1.978
   71   2HB   HIS  10          HB1       HIS  10  13.330  13.670  -0.521
   72    HD1  HIS  10           HD1      HIS  10  14.056  13.175  -4.154
   73    HD2  HIS  10           HD2      HIS  10  15.601  15.222  -0.898
   74    HE1  HIS  10           HE1      HIS  10  15.761  14.754  -5.106
   75    HE2  HIS  10           HE2      HIS  10  16.517  16.130  -3.140
   76    H    ALA  11           HN       ALA  11  13.518  11.944   1.525
   77    HA   ALA  11           HA       ALA  11  11.721   9.742   1.760
   78   1HB   ALA  11          HB1       ALA  11  12.034  12.156   3.549
   79   2HB   ALA  11          HB2       ALA  11  12.925  10.641   3.695
   80   3HB   ALA  11          HB3       ALA  11  11.181  10.668   3.959
   81    H    LEU  12           HN       LEU  12   9.563   9.645   1.421
   82    HA   LEU  12           HA       LEU  12   8.392  11.933   0.067
   83   1HB   LEU  12          HB2       LEU  12   7.287   9.152   0.443
   84   2HB   LEU  12          HB1       LEU  12   6.603  10.400  -0.583
   85    HG   LEU  12           HG       LEU  12   9.177   8.890  -0.977
   86   1HD1  LEU  12          HD11      LEU  12   6.723   9.240  -2.688
   87   2HD1  LEU  12          HD12      LEU  12   7.159   7.797  -1.772
   88   3HD1  LEU  12          HD13      LEU  12   8.164   8.320  -3.124
   89   1HD2  LEU  12          HD21      LEU  12   8.215  11.264  -2.559
   90   2HD2  LEU  12          HD22      LEU  12   9.673  10.316  -2.846
   91   3HD2  LEU  12          HD23      LEU  12   9.534  11.298  -1.391
   92    H    GLU  13           HN       GLU  13   6.244  12.655   0.501
   93    HA   GLU  13           HA       GLU  13   5.821  12.949   3.366
   94   1HB   GLU  13          HB2       GLU  13   4.456  14.316   1.036
   95   2HB   GLU  13          HB1       GLU  13   4.330  14.775   2.729
   96   1HG   GLU  13          HG2       GLU  13   6.579  15.501   2.794
   97   2HG   GLU  13          HG1       GLU  13   6.932  14.768   1.230
   98    H    ARG  14           HN       ARG  14   4.782  11.087   4.056
   99    HA   ARG  14           HA       ARG  14   2.659   9.913   2.552
  100   1HB   ARG  14          HB2       ARG  14   4.034   8.567   4.097
  101   2HB   ARG  14          HB1       ARG  14   3.382   9.477   5.457
  102   1HG   ARG  14          HG2       ARG  14   1.110   8.703   4.801
  103   2HG   ARG  14          HG1       ARG  14   1.867   7.669   3.591
  104   1HD   ARG  14          HD2       ARG  14   3.004   6.414   5.283
  105   2HD   ARG  14          HD1       ARG  14   2.479   7.541   6.537
  106    HE   ARG  14           HE       ARG  14   0.739   5.656   5.091
  107   1HH1  ARG  14          HH11      ARG  14   1.364   7.800   7.779
  108   2HH1  ARG  14          HH12      ARG  14  -0.072   7.349   8.650
  109   1HH2  ARG  14          HH21      ARG  14  -1.179   5.077   6.205
  110   2HH2  ARG  14          HH22      ARG  14  -1.538   5.807   7.738
  111    H    ASN  15           HN       ASN  15   0.523  10.207   2.681
  112    HA   ASN  15           HA       ASN  15  -0.581  11.830   4.851
  113   1HB   ASN  15          HB2       ASN  15  -0.150  13.335   2.908
  114   2HB   ASN  15          HB1       ASN  15  -1.199  12.317   1.925
  115   1HD2  ASN  15          HD21      ASN  15  -1.034  14.611   4.520
  116   2HD2  ASN  15          HD22      ASN  15  -2.725  14.983   4.571
  117    H    GLY  16           HN       GLY  16  -1.499   9.986   5.694
  118   1HA   GLY  16          HA2       GLY  16  -3.153   8.441   6.020
  119   2HA   GLY  16          HA1       GLY  16  -4.065   9.299   4.789
  120    H    ASP  17           HN       ASP  17  -4.563   8.207   3.048
  121    HA   ASP  17           HA       ASP  17  -3.619   5.521   2.657
  122   1HB   ASP  17          HB2       ASP  17  -5.962   6.109   2.259
  123   2HB   ASP  17          HB1       ASP  17  -5.484   7.264   1.022
  124    H    THR  18           HN       THR  18  -2.779   8.620   1.462
  125    HA   THR  18           HA       THR  18  -1.464   7.458  -0.897
  126    HB   THR  18           HB       THR  18  -1.436   9.850  -1.724
  127    HG1  THR  18           HG1      THR  18  -2.354  10.280   0.755
  128   1HG2  THR  18          HG21      THR  18  -3.068   8.205  -2.527
  129   2HG2  THR  18          HG22      THR  18  -3.781   9.814  -2.420
  130   3HG2  THR  18          HG23      THR  18  -4.137   8.607  -1.184
  131    H    ALA  19           HN       ALA  19   0.643   8.008  -1.412
  132    HA   ALA  19           HA       ALA  19   2.183   9.427   0.659
  133   1HB   ALA  19          HB1       ALA  19   3.158   7.455  -1.407
  134   2HB   ALA  19          HB2       ALA  19   2.899   7.112   0.303
  135   3HB   ALA  19          HB3       ALA  19   4.150   8.254  -0.188
  136    H    HIS  20           HN       HIS  20   2.453  11.475   0.100
  137    HA   HIS  20           HA       HIS  20   2.341  12.314  -2.667
  138   1HB   HIS  20          HB2       HIS  20   1.166  13.660  -1.053
  139   2HB   HIS  20          HB1       HIS  20   2.600  13.807  -0.048
  140    HD1  HIS  20           HD1      HIS  20   0.922  15.272  -3.044
  141    HD2  HIS  20           HD2      HIS  20   4.494  15.700  -0.939
  142    HE1  HIS  20           HE1      HIS  20   1.940  17.434  -3.845
  143    HE2  HIS  20           HE2      HIS  20   4.024  17.734  -2.457
  144    H    CYS  21           HN       CYS  21   4.080  12.375  -3.922
  145    HA   CYS  21           HA       CYS  21   6.730  12.296  -2.825
  146   1HB   CYS  21          HB2       CYS  21   6.026  11.164  -4.973
  147   2HB   CYS  21          HB1       CYS  21   5.938  12.761  -5.707
  148    H    GLU  22           HN       GLU  22   8.150  13.910  -2.597
  149    HA   GLU  22           HA       GLU  22   7.267  16.576  -2.448
  150   1HB   GLU  22          HB2       GLU  22   9.969  16.825  -2.386
  151   2HB   GLU  22          HB1       GLU  22   8.986  16.366  -1.004
  152   1HG   GLU  22          HG2       GLU  22  10.841  14.869  -1.131
  153   2HG   GLU  22          HG1       GLU  22   9.385  13.982  -1.578
  154    H    THR  23           HN       THR  23  10.282  16.105  -4.160
  155    HA   THR  23           HA       THR  23   9.572  17.739  -6.364
  156    HB   THR  23           HB       THR  23  11.655  16.845  -7.401
  157    HG1  THR  23           HG1      THR  23  12.096  15.359  -5.024
  158   1HG2  THR  23          HG21      THR  23  11.790  18.712  -5.793
  159   2HG2  THR  23          HG22      THR  23  13.225  17.687  -5.733
  160   3HG2  THR  23          HG23      THR  23  11.992  17.552  -4.480
  161    H    CYS  24           HN       CYS  24   9.115  17.068  -8.520
  162    HA   CYS  24           HA       CYS  24   7.647  16.098  -9.905
  163   1HB   CYS  24          HB2       CYS  24   8.020  13.833 -10.589
  164   2HB   CYS  24          HB1       CYS  24   9.575  14.569 -10.252
  165    H    ALA  25           HN       ALA  25   5.726  16.578  -9.148
  166    HA   ALA  25           HA       ALA  25   4.651  15.589  -6.732
  167   1HB   ALA  25          HB1       ALA  25   4.057  17.776  -7.648
  168   2HB   ALA  25          HB2       ALA  25   2.627  16.786  -7.351
  169   3HB   ALA  25          HB3       ALA  25   3.234  16.988  -8.994
  170    H    LYS  26           HN       LYS  26   4.393  13.455  -6.620
  171    HA   LYS  26           HA       LYS  26   2.180  12.331  -8.164
  172   1HB   LYS  26          HB2       LYS  26   4.857  10.976  -7.752
  173   2HB   LYS  26          HB1       LYS  26   3.416  10.154  -8.324
  174   1HG   LYS  26          HG2       LYS  26   3.394  11.591 -10.309
  175   2HG   LYS  26          HG1       LYS  26   4.857  12.393  -9.732
  176   1HD   LYS  26          HD2       LYS  26   6.084  10.305  -9.850
  177   2HD   LYS  26          HD1       LYS  26   4.622   9.443 -10.326
  178   1HE   LYS  26          HE2       LYS  26   5.967   9.845 -12.277
  179   2HE   LYS  26          HE1       LYS  26   4.515  10.837 -12.368
  180   1HZ   LYS  26          HZ1       LYS  26   5.791  12.743 -11.646
  181   2HZ   LYS  26          HZ2       LYS  26   6.508  12.054 -13.022
  182   3HZ   LYS  26          HZ3       LYS  26   7.186  11.792 -11.496
  183    H    ASP  27           HN       ASP  27   0.706  11.729  -6.653
  184    HA   ASP  27           HA       ASP  27   1.750  10.678  -4.121
  185   1HB   ASP  27          HB2       ASP  27  -0.560  10.969  -3.235
  186   2HB   ASP  27          HB1       ASP  27   0.204  12.474  -3.725
  187    H    PHE  28           HN       PHE  28   1.625   8.633  -3.662
  188    HA   PHE  28           HA       PHE  28   0.259   6.883  -5.591
  189   1HB   PHE  28          HB2       PHE  28   2.479   6.159  -3.671
  190   2HB   PHE  28          HB1       PHE  28   1.876   5.195  -5.012
  191    HD1  PHE  28           HD2      PHE  28   2.329   5.934  -7.352
  192    HD2  PHE  28           HD1      PHE  28   4.137   7.800  -3.982
  193    HE1  PHE  28           HE2      PHE  28   4.048   6.911  -8.819
  194    HE2  PHE  28           HE1      PHE  28   5.857   8.779  -5.440
  195    HZ   PHE  28           HZ       PHE  28   5.817   8.333  -7.862
  196    H    SER  29           HN       SER  29  -1.307   5.512  -4.914
  197    HA   SER  29           HA       SER  29  -2.255   5.637  -2.217
  198   1HB   SER  29          HB2       SER  29  -3.750   5.298  -4.198
  199   2HB   SER  29          HB1       SER  29  -3.040   3.700  -4.415
  200    HG   SER  29           HG       SER  29  -4.254   4.487  -1.968
  201    H    LEU  30           HN       LEU  30  -1.649   4.411  -0.549
  202    HA   LEU  30           HA       LEU  30   0.261   2.249  -1.089
  203   1HB   LEU  30          HB2       LEU  30  -0.324   3.741   1.472
  204   2HB   LEU  30          HB1       LEU  30   0.885   2.486   1.288
  205    HG   LEU  30           HG       LEU  30   0.908   5.192  -0.049
  206   1HD1  LEU  30          HD11      LEU  30   2.596   3.991   2.140
  207   2HD1  LEU  30          HD12      LEU  30   1.462   5.335   2.290
  208   3HD1  LEU  30          HD13      LEU  30   2.931   5.522   1.332
  209   1HD2  LEU  30          HD21      LEU  30   1.852   3.488  -1.514
  210   2HD2  LEU  30          HD22      LEU  30   2.902   2.934  -0.211
  211   3HD2  LEU  30          HD23      LEU  30   3.112   4.549  -0.888
  212    H    GLN  31           HN       GLN  31  -0.403   0.243  -0.951
  213    HA   GLN  31           HA       GLN  31  -2.754  -0.360   0.719
  214   1HB   GLN  31          HB2       GLN  31  -1.688  -1.877  -1.670
  215   2HB   GLN  31          HB1       GLN  31  -3.095  -2.328  -0.720
  216   1HG   GLN  31          HG2       GLN  31  -4.170  -0.202  -1.388
  217   2HG   GLN  31          HG1       GLN  31  -2.787   0.125  -2.433
  218   1HE2  GLN  31          HE21      GLN  31  -3.988   0.100  -4.308
  219   2HE2  GLN  31          HE22      GLN  31  -4.671  -1.344  -4.961
  220    H    ALA  32           HN       ALA  32  -2.673  -2.139   2.086
  221    HA   ALA  32           HA       ALA  32   0.006  -2.939   2.868
  222   1HB   ALA  32          HB1       ALA  32  -2.609  -3.708   4.155
  223   2HB   ALA  32          HB2       ALA  32  -1.702  -2.251   4.556
  224   3HB   ALA  32          HB3       ALA  32  -0.994  -3.839   4.849
  225    H    LEU  33           HN       LEU  33   0.915  -4.701   2.089
  226    HA   LEU  33           HA       LEU  33  -0.810  -6.845   1.051
  227   1HB   LEU  33          HB2       LEU  33   1.988  -5.976   0.400
  228   2HB   LEU  33          HB1       LEU  33   1.474  -7.614   0.053
  229    HG   LEU  33           HG       LEU  33   1.294  -6.285  -1.943
  230   1HD1  LEU  33          HD11      LEU  33  -1.424  -6.834  -0.768
  231   2HD1  LEU  33          HD12      LEU  33  -0.395  -7.995  -1.609
  232   3HD1  LEU  33          HD13      LEU  33  -1.064  -6.615  -2.481
  233   1HD2  LEU  33          HD21      LEU  33  -0.517  -4.462  -0.366
  234   2HD2  LEU  33          HD22      LEU  33  -0.199  -4.354  -2.098
  235   3HD2  LEU  33          HD23      LEU  33   1.105  -4.075  -0.942
  236    H    CYS  34           HN       CYS  34  -0.682  -8.891   1.851
  237    HA   CYS  34           HA       CYS  34   1.179  -9.330   4.059
  238   1HB   CYS  34          HB2       CYS  34  -0.212 -11.267   4.665
  239   2HB   CYS  34          HB1       CYS  34  -1.164  -9.791   4.604
  240    HA   PRO  35           HA       PRO  35   4.010 -11.415   1.597
  241   1HB   PRO  35          HB2       PRO  35   4.894 -13.325   3.392
  242   2HB   PRO  35          HB1       PRO  35   5.421 -11.639   3.357
  243   1HG   PRO  35          HG2       PRO  35   3.366 -12.950   5.086
  244   2HG   PRO  35          HG1       PRO  35   4.569 -11.716   5.509
  245   1HD   PRO  35          HD2       PRO  35   1.986 -11.086   5.106
  246   2HD   PRO  35          HD1       PRO  35   3.295  -9.994   4.607
  247    H    ASP  36           HN       ASP  36   1.485 -13.377   3.050
  248    HA   ASP  36           HA       ASP  36   2.259 -15.739   1.583
  249   1HB   ASP  36          HB2       ASP  36   0.972 -16.821   3.072
  250   2HB   ASP  36          HB1       ASP  36   0.716 -15.268   3.857
  251    H    CYS  37           HN       CYS  37  -0.118 -13.155   1.214
  252    HA   CYS  37           HA       CYS  37  -1.372 -14.584  -0.990
  253   1HB   CYS  37          HB2       CYS  37  -2.050 -11.975   0.370
  254   2HB   CYS  37          HB1       CYS  37  -2.914 -12.585  -1.038
  255    H    ARG  38           HN       ARG  38   0.307 -11.491  -0.456
  256    HA   ARG  38           HA       ARG  38   1.340 -10.038  -1.864
  257   1HB   ARG  38          HB2       ARG  38   1.602 -12.487  -3.620
  258   2HB   ARG  38          HB1       ARG  38   2.450 -10.967  -3.879
  259   1HG   ARG  38          HG2       ARG  38   2.743 -12.797  -1.507
  260   2HG   ARG  38          HG1       ARG  38   3.907 -12.570  -2.813
  261   1HD   ARG  38          HD2       ARG  38   3.014 -10.484  -0.828
  262   2HD   ARG  38          HD1       ARG  38   4.568 -11.316  -0.836
  263    HE   ARG  38           HE       ARG  38   3.814  -9.732  -3.185
  264   1HH1  ARG  38          HH11      ARG  38   5.870 -10.211  -0.396
  265   2HH1  ARG  38          HH12      ARG  38   6.978  -8.939  -0.826
  266   1HH2  ARG  38          HH21      ARG  38   5.259  -8.079  -3.771
  267   2HH2  ARG  38          HH22      ARG  38   6.634  -7.723  -2.765
  268    H    GLN  39           HN       GLN  39  -1.565 -10.665  -2.084
  269    HA   GLN  39           HA       GLN  39  -2.061  -9.317  -4.641
  270   1HB   GLN  39          HB2       GLN  39  -3.527 -11.689  -3.471
  271   2HB   GLN  39          HB1       GLN  39  -4.231 -10.662  -4.712
  272   1HG   GLN  39          HG2       GLN  39  -2.559 -11.275  -6.284
  273   2HG   GLN  39          HG1       GLN  39  -1.606 -12.088  -5.043
  274   1HE2  GLN  39          HE21      GLN  39  -2.191 -14.102  -4.356
  275   2HE2  GLN  39          HE22      GLN  39  -3.373 -15.076  -5.171
  276    HA   PRO  40           HA       PRO  40  -4.234  -6.150  -2.625
  277   1HB   PRO  40          HB2       PRO  40  -6.881  -6.603  -3.565
  278   2HB   PRO  40          HB1       PRO  40  -5.685  -5.474  -4.209
  279   1HG   PRO  40          HG2       PRO  40  -6.397  -8.207  -5.120
  280   2HG   PRO  40          HG1       PRO  40  -5.797  -6.828  -6.058
  281   1HD   PRO  40          HD2       PRO  40  -4.220  -8.912  -5.502
  282   2HD   PRO  40          HD1       PRO  40  -3.581  -7.253  -5.492
  283    H    LEU  41           HN       LEU  41  -4.301  -6.512  -0.490
  284    HA   LEU  41           HA       LEU  41  -6.094  -8.337   0.779
  285   1HB   LEU  41          HB2       LEU  41  -4.244  -6.173   1.683
  286   2HB   LEU  41          HB1       LEU  41  -5.505  -6.685   2.785
  287    HG   LEU  41           HG       LEU  41  -4.630  -8.965   2.780
  288   1HD1  LEU  41          HD11      LEU  41  -2.489  -7.911   0.942
  289   2HD1  LEU  41          HD12      LEU  41  -3.758  -9.055   0.507
  290   3HD1  LEU  41          HD13      LEU  41  -2.523  -9.512   1.684
  291   1HD2  LEU  41          HD21      LEU  41  -3.726  -7.309   4.379
  292   2HD2  LEU  41          HD22      LEU  41  -2.415  -6.977   3.251
  293   3HD2  LEU  41          HD23      LEU  41  -2.575  -8.578   3.972
  294    H    GLN  42           HN       GLN  42  -7.993  -7.785   1.976
  295    HA   GLN  42           HA       GLN  42  -9.735  -6.128   0.542
  296   1HB   GLN  42          HB2       GLN  42 -10.041  -7.224   3.342
  297   2HB   GLN  42          HB1       GLN  42 -11.339  -6.531   2.379
  298   1HG   GLN  42          HG2       GLN  42 -11.086  -8.303   0.737
  299   2HG   GLN  42          HG1       GLN  42  -9.748  -8.984   1.659
  300   1HE2  GLN  42          HE21      GLN  42 -12.288 -10.192   0.903
  301   2HE2  GLN  42          HE22      GLN  42 -13.037 -10.692   2.385
  302    H    VAL  43           HN       VAL  43  -9.767  -4.010   0.466
  303    HA   VAL  43           HA       VAL  43  -8.564  -2.337   2.425
  304    HB   VAL  43           HB       VAL  43  -8.551  -1.533   0.186
  305   1HG1  VAL  43          HG11      VAL  43 -10.454  -2.767  -0.680
  306   2HG1  VAL  43          HG12      VAL  43 -10.580  -1.057  -1.094
  307   3HG1  VAL  43          HG13      VAL  43 -11.558  -1.724   0.214
  308   1HG2  VAL  43          HG21      VAL  43 -10.554   0.066   1.777
  309   2HG2  VAL  43          HG22      VAL  43  -9.642   0.657   0.388
  310   3HG2  VAL  43          HG23      VAL  43  -8.798   0.201   1.869
  311    H    LEU  44           HN       LEU  44  -9.378  -2.021   4.346
  312    HA   LEU  44           HA       LEU  44 -12.304  -1.893   4.665
  313   1HB   LEU  44          HB2       LEU  44 -10.276  -3.011   6.605
  314   2HB   LEU  44          HB1       LEU  44 -12.011  -2.943   6.858
  315    HG   LEU  44           HG       LEU  44 -10.691  -4.532   4.653
  316   1HD1  LEU  44          HD11      LEU  44 -11.197  -6.502   6.014
  317   2HD1  LEU  44          HD12      LEU  44 -11.726  -5.450   7.329
  318   3HD1  LEU  44          HD13      LEU  44 -10.041  -5.433   6.810
  319   1HD2  LEU  44          HD21      LEU  44 -13.506  -4.521   5.732
  320   2HD2  LEU  44          HD22      LEU  44 -12.881  -5.611   4.496
  321   3HD2  LEU  44          HD23      LEU  44 -12.984  -3.881   4.173
  322    H    LYS  45           HN       LYS  45 -12.806   0.177   5.062
  323    HA   LYS  45           HA       LYS  45 -10.946   1.820   6.591
  324   1HB   LYS  45          HB2       LYS  45 -13.548   2.618   5.267
  325   2HB   LYS  45          HB1       LYS  45 -12.347   3.708   5.953
  326   1HG   LYS  45          HG2       LYS  45 -10.716   2.864   4.272
  327   2HG   LYS  45          HG1       LYS  45 -12.028   1.941   3.537
  328   1HD   LYS  45          HD2       LYS  45 -13.267   4.057   3.193
  329   2HD   LYS  45          HD1       LYS  45 -11.879   4.940   3.833
  330   1HE   LYS  45          HE2       LYS  45 -11.733   5.011   1.458
  331   2HE   LYS  45          HE1       LYS  45 -10.492   3.896   2.031
  332   1HZ   LYS  45          HZ1       LYS  45 -11.565   2.918   0.162
  333   2HZ   LYS  45          HZ2       LYS  45 -13.106   3.202   0.807
  334   3HZ   LYS  45          HZ3       LYS  45 -12.084   2.061   1.531
  335    H    ALA  46           HN       ALA  46 -11.135   1.021   8.631
  336    HA   ALA  46           HA       ALA  46 -13.714   0.489   9.797
  337   1HB   ALA  46          HB1       ALA  46 -11.810  -0.959  10.283
  338   2HB   ALA  46          HB2       ALA  46 -12.453  -0.231  11.755
  339   3HB   ALA  46          HB3       ALA  46 -10.968   0.394  11.037
  340    H    CYS  47           HN       CYS  47 -14.636   2.561   9.698
  341    HA   CYS  47           HA       CYS  47 -15.481   4.389  10.722
  342   1HB   CYS  47          HB2       CYS  47 -13.666   3.710  13.041
  343   2HB   CYS  47          HB1       CYS  47 -15.092   4.742  13.084
  344    HG   CYS  47           HG       CYS  47 -16.932   2.846  13.124
  345    H    GLY  48           HN       GLY  48 -12.306   4.655  12.275
  346   1HA   GLY  48          HA2       GLY  48 -11.875   7.115  10.692
  347   2HA   GLY  48          HA1       GLY  48 -11.458   6.984  12.395
  348    H    ALA  49           HN       ALA  49 -10.840   4.097  10.829
  349    HA   ALA  49           HA       ALA  49  -8.024   4.847  10.385
  350   1HB   ALA  49          HB1       ALA  49  -7.363   2.642  11.205
  351   2HB   ALA  49          HB2       ALA  49  -9.052   2.252  11.533
  352   3HB   ALA  49          HB3       ALA  49  -8.252   3.537  12.437
  353    H    VAL  50           HN       VAL  50  -7.069   4.115   8.543
  354    HA   VAL  50           HA       VAL  50  -8.787   2.653   6.667
  355    HB   VAL  50           HB       VAL  50  -6.268   4.249   6.152
  356   1HG1  VAL  50          HG11      VAL  50  -8.122   2.875   4.208
  357   2HG1  VAL  50          HG12      VAL  50  -6.466   2.399   4.580
  358   3HG1  VAL  50          HG13      VAL  50  -6.782   3.936   3.774
  359   1HG2  VAL  50          HG21      VAL  50  -7.765   5.819   5.022
  360   2HG2  VAL  50          HG22      VAL  50  -8.192   5.637   6.724
  361   3HG2  VAL  50          HG23      VAL  50  -9.152   4.831   5.482
  362    H    ASP  51           HN       ASP  51  -8.480   0.548   6.570
  363    HA   ASP  51           HA       ASP  51  -5.780  -0.517   7.071
  364   1HB   ASP  51          HB2       ASP  51  -8.471  -1.572   7.946
  365   2HB   ASP  51          HB1       ASP  51  -7.033  -2.587   7.904
  366    H    TYR  52           HN       TYR  52  -5.319  -2.554   6.075
  367    HA   TYR  52           HA       TYR  52  -7.010  -3.363   3.822
  368   1HB   TYR  52          HB2       TYR  52  -4.075  -2.648   3.681
  369   2HB   TYR  52          HB1       TYR  52  -4.827  -3.712   2.507
  370    HD1  TYR  52           HD1      TYR  52  -4.934  -0.252   3.881
  371    HD2  TYR  52           HD2      TYR  52  -5.951  -2.837   0.659
  372    HE1  TYR  52           HE1      TYR  52  -5.539   1.700   2.513
  373    HE2  TYR  52           HE2      TYR  52  -6.564  -0.895  -0.715
  374    HH   TYR  52           HH       TYR  52  -5.841   2.357   0.251
  375    H    PHE  53           HN       PHE  53  -7.553  -5.319   4.825
  376    HA   PHE  53           HA       PHE  53  -5.467  -7.295   4.852
  377   1HB   PHE  53          HB2       PHE  53  -5.818  -8.068   7.160
  378   2HB   PHE  53          HB1       PHE  53  -5.140  -6.449   7.094
  379    HD1  PHE  53           HD2      PHE  53  -8.154  -8.419   7.845
  380    HD2  PHE  53           HD1      PHE  53  -6.317  -4.581   7.975
  381    HE1  PHE  53           HE2      PHE  53  -9.931  -7.626   9.349
  382    HE2  PHE  53           HE1      PHE  53  -8.092  -3.782   9.480
  383    HZ   PHE  53           HZ       PHE  53  -9.901  -5.305  10.168
  384    H    CYS  54           HN       CYS  54  -6.174  -9.419   4.901
  385    HA   CYS  54           HA       CYS  54  -8.720  -9.830   3.702
  386   1HB   CYS  54          HB2       CYS  54  -6.918 -11.972   4.836
  387   2HB   CYS  54          HB1       CYS  54  -8.056 -12.107   3.501
  388    H    GLN  55           HN       GLN  55 -10.268  -9.151   5.202
  389    HA   GLN  55           HA       GLN  55 -10.311  -9.835   7.923
  390   1HB   GLN  55          HB2       GLN  55 -11.609  -7.986   6.875
  391   2HB   GLN  55          HB1       GLN  55 -12.671  -9.182   6.149
  392   1HG   GLN  55          HG2       GLN  55 -13.398  -9.911   8.344
  393   2HG   GLN  55          HG1       GLN  55 -12.281  -8.778   9.106
  394   1HE2  GLN  55          HE21      GLN  55 -13.941  -7.693  10.170
  395   2HE2  GLN  55          HE22      GLN  55 -15.034  -6.648   9.335
  396    H    ASN  56           HN       ASN  56 -11.953 -11.313   5.141
  397    HA   ASN  56           HA       ASN  56 -12.225 -13.748   6.767
  398   1HB   ASN  56          HB2       ASN  56 -14.277 -14.324   5.633
  399   2HB   ASN  56          HB1       ASN  56 -14.444 -12.714   6.316
  400   1HD2  ASN  56          HD21      ASN  56 -15.781 -14.134   4.074
  401   2HD2  ASN  56          HD22      ASN  56 -15.644 -13.062   2.721
  402    H    GLY  57           HN       GLY  57 -11.878 -15.723   5.701
  403   1HA   GLY  57          HA2       GLY  57 -11.338 -17.016   3.765
  404   2HA   GLY  57          HA1       GLY  57 -10.782 -15.546   2.977
  405    H    HIS  58           HN       HIS  58  -9.374 -14.761   5.491
  406    HA   HIS  58           HA       HIS  58  -7.199 -16.720   5.556
  407   1HB   HIS  58          HB2       HIS  58  -6.496 -15.125   3.860
  408   2HB   HIS  58          HB1       HIS  58  -6.870 -13.774   4.917
  409    HD2  HIS  58           HD2      HIS  58  -4.938 -16.262   6.975
  410    HE1  HIS  58           HE1      HIS  58  -2.036 -13.659   5.312
  411    HE2  HIS  58           HE2      HIS  58  -2.554 -15.298   7.161
  412    H    GLY  59           HN       GLY  59  -8.016 -13.477   6.783
  413   1HA   GLY  59          HA2       GLY  59  -8.631 -13.499   9.252
  414   2HA   GLY  59          HA1       GLY  59  -7.105 -14.361   9.440
  415    H    LEU  60           HN       LEU  60  -7.804 -11.817  10.610
  416    HA   LEU  60           HA       LEU  60  -6.706  -9.708   9.059
  417   1HB   LEU  60          HB2       LEU  60  -6.845  -8.386  11.125
  418   2HB   LEU  60          HB1       LEU  60  -8.338  -9.227  10.767
  419    HG   LEU  60           HG       LEU  60  -7.260 -11.012  12.453
  420   1HD1  LEU  60          HD11      LEU  60  -5.222  -9.713  12.819
  421   2HD1  LEU  60          HD12      LEU  60  -6.162  -9.870  14.304
  422   3HD1  LEU  60          HD13      LEU  60  -6.187  -8.356  13.400
  423   1HD2  LEU  60          HD21      LEU  60  -9.462 -10.008  12.659
  424   2HD2  LEU  60          HD22      LEU  60  -8.743  -8.510  13.252
  425   3HD2  LEU  60          HD23      LEU  60  -8.625  -9.985  14.211
  426    H    ILE  61           HN       ILE  61  -4.710  -8.933   8.920
  427    HA   ILE  61           HA       ILE  61  -2.599 -10.262  10.463
  428    HB   ILE  61           HB       ILE  61  -2.372  -8.593   7.944
  429   1HG1  ILE  61          HG12      ILE  61  -3.453 -10.756   7.531
  430   2HG1  ILE  61          HG11      ILE  61  -1.844 -10.717   6.822
  431   1HG2  ILE  61          HG21      ILE  61  -0.272 -10.172   9.431
  432   2HG2  ILE  61          HG22      ILE  61  -0.370  -8.415   9.310
  433   3HG2  ILE  61          HG23      ILE  61  -0.044  -9.382   7.870
  434   1HD1  ILE  61          HD11      ILE  61  -2.619 -12.066   9.398
  435   2HD1  ILE  61          HD12      ILE  61  -0.991 -12.005   8.723
  436   3HD1  ILE  61          HD13      ILE  61  -2.272 -12.856   7.860
  437    H    SER  62           HN       SER  62  -1.249  -9.071  11.764
  438    HA   SER  62           HA       SER  62  -2.138  -6.807  13.024
  439   1HB   SER  62          HB2       SER  62   0.782  -7.500  12.657
  440   2HB   SER  62          HB1       SER  62   0.038  -6.670  14.024
  441    HG   SER  62           HG       SER  62  -0.184  -8.578  14.867
  442    H    LYS  63           HN       LYS  63  -2.263  -4.732  12.516
  443    HA   LYS  63           HA       LYS  63  -1.716  -3.820   9.907
  444   1HB   LYS  63          HB2       LYS  63  -3.523  -2.982  11.407
  445   2HB   LYS  63          HB1       LYS  63  -2.297  -2.186  12.381
  446   1HG   LYS  63          HG2       LYS  63  -1.710  -0.743  10.545
  447   2HG   LYS  63          HG1       LYS  63  -2.824  -1.601   9.475
  448   1HD   LYS  63          HD2       LYS  63  -4.689  -0.948  10.958
  449   2HD   LYS  63          HD1       LYS  63  -3.554  -0.019  11.937
  450   1HE   LYS  63          HE2       LYS  63  -3.084   1.452  10.106
  451   2HE   LYS  63          HE1       LYS  63  -4.025   0.450   9.001
  452   1HZ   LYS  63          HZ1       LYS  63  -5.166   1.844  11.362
  453   2HZ   LYS  63          HZ2       LYS  63  -6.025   1.016  10.149
  454   3HZ   LYS  63          HZ3       LYS  63  -5.206   2.459   9.779
  455    H    LYS  64           HN       LYS  64   0.117  -3.773  12.848
  456    HA   LYS  64           HA       LYS  64   2.073  -1.891  11.828
  457   1HB   LYS  64          HB2       LYS  64   1.984  -3.564  14.338
  458   2HB   LYS  64          HB1       LYS  64   3.280  -2.441  13.949
  459   1HG   LYS  64          HG2       LYS  64   1.744  -0.585  13.989
  460   2HG   LYS  64          HG1       LYS  64   0.383  -1.679  14.243
  461   1HD   LYS  64          HD2       LYS  64   1.249  -2.321  16.402
  462   2HD   LYS  64          HD1       LYS  64   2.709  -1.363  16.137
  463   1HE   LYS  64          HE2       LYS  64  -0.088  -0.245  16.243
  464   2HE   LYS  64          HE1       LYS  64   1.043  -0.244  17.595
  465   1HZ   LYS  64          HZ1       LYS  64   1.546   1.066  14.975
  466   2HZ   LYS  64          HZ2       LYS  64   2.540   1.136  16.344
  467   3HZ   LYS  64          HZ3       LYS  64   1.011   1.869  16.367
  468    H    ARG  65           HN       ARG  65   1.418  -4.969  11.076
  469    HA   ARG  65           HA       ARG  65   4.252  -5.702  10.746
  470   1HB   ARG  65          HB2       ARG  65   3.129  -7.246  12.231
  471   2HB   ARG  65          HB1       ARG  65   1.820  -7.464  11.080
  472   1HG   ARG  65          HG2       ARG  65   3.354  -8.549   9.529
  473   2HG   ARG  65          HG1       ARG  65   4.681  -8.316  10.671
  474   1HD   ARG  65          HD2       ARG  65   3.669  -9.760  12.263
  475   2HD   ARG  65          HD1       ARG  65   2.163  -9.815  11.350
  476    HE   ARG  65           HE       ARG  65   4.302 -10.786   9.768
  477   1HH1  ARG  65          HH11      ARG  65   2.390 -11.673  12.567
  478   2HH1  ARG  65          HH12      ARG  65   2.434 -13.379  12.218
  479   1HH2  ARG  65          HH21      ARG  65   4.348 -13.023   9.294
  480   2HH2  ARG  65          HH22      ARG  65   3.520 -14.142  10.337
  481    H    VAL  66           HN       VAL  66   1.214  -5.155   9.199
  482    HA   VAL  66           HA       VAL  66   1.695  -6.480   6.751
  483    HB   VAL  66           HB       VAL  66  -0.000  -4.973   5.773
  484   1HG1  VAL  66          HG11      VAL  66  -0.739  -6.063   8.482
  485   2HG1  VAL  66          HG12      VAL  66  -0.734  -6.957   6.962
  486   3HG1  VAL  66          HG13      VAL  66  -1.874  -5.633   7.203
  487   1HG2  VAL  66          HG21      VAL  66  -1.111  -3.303   7.159
  488   2HG2  VAL  66          HG22      VAL  66   0.601  -2.929   6.961
  489   3HG2  VAL  66          HG23      VAL  66   0.021  -3.631   8.471
  490    H    ASN  67           HN       ASN  67   2.222  -5.514   4.673
  491    HA   ASN  67           HA       ASN  67   4.190  -3.352   5.015
  492   1HB   ASN  67          HB2       ASN  67   5.027  -5.582   4.211
  493   2HB   ASN  67          HB1       ASN  67   4.060  -5.355   2.756
  494   1HD2  ASN  67          HD21      ASN  67   5.890  -5.378   1.450
  495   2HD2  ASN  67          HD22      ASN  67   6.983  -4.044   1.384
  496    H    PHE  68           HN       PHE  68   3.225  -1.484   4.563
  497    HA   PHE  68           HA       PHE  68   1.268  -1.226   2.459
  498   1HB   PHE  68          HB2       PHE  68   2.470   0.625   4.480
  499   2HB   PHE  68          HB1       PHE  68   1.674   1.309   3.071
  500    HD1  PHE  68           HD2      PHE  68   1.168  -0.773   6.081
  501    HD2  PHE  68           HD1      PHE  68  -0.670   1.345   2.881
  502    HE1  PHE  68           HE2      PHE  68  -1.011  -0.974   7.201
  503    HE2  PHE  68           HE1      PHE  68  -2.852   1.150   3.998
  504    HZ   PHE  68           HZ       PHE  68  -3.024  -0.011   6.160
  505    H    VAL  69           HN       VAL  69   1.916  -1.252   0.420
  506    HA   VAL  69           HA       VAL  69   4.265   0.368  -0.306
  507    HB   VAL  69           HB       VAL  69   4.757  -1.251  -2.131
  508   1HG1  VAL  69          HG11      VAL  69   6.054  -1.278  -0.080
  509   2HG1  VAL  69          HG12      VAL  69   5.850  -2.915  -0.702
  510   3HG1  VAL  69          HG13      VAL  69   4.885  -2.364   0.669
  511   1HG2  VAL  69          HG21      VAL  69   3.837  -3.516  -1.994
  512   2HG2  VAL  69          HG22      VAL  69   2.574  -2.319  -2.283
  513   3HG2  VAL  69          HG23      VAL  69   2.783  -3.009  -0.673
  514    H    ILE  70           HN       ILE  70   4.273   0.661  -2.801
  515    HA   ILE  70           HA       ILE  70   1.825   2.004  -3.472
  516    HB   ILE  70           HB       ILE  70   4.312   1.546  -5.133
  517   1HG1  ILE  70          HG12      ILE  70   3.481   3.988  -3.554
  518   2HG1  ILE  70          HG11      ILE  70   4.658   2.804  -2.997
  519   1HG2  ILE  70          HG21      ILE  70   1.999   3.438  -5.531
  520   2HG2  ILE  70          HG22      ILE  70   2.416   2.057  -6.543
  521   3HG2  ILE  70          HG23      ILE  70   3.493   3.453  -6.471
  522   1HD1  ILE  70          HD11      ILE  70   4.911   4.543  -5.437
  523   2HD1  ILE  70          HD12      ILE  70   6.092   3.348  -4.901
  524   3HD1  ILE  70          HD13      ILE  70   5.751   4.763  -3.903
  525    H    SER  71           HN       SER  71   0.114   0.948  -4.277
  526    HA   SER  71           HA       SER  71   0.600  -1.184  -6.226
  527   1HB   SER  71          HB2       SER  71  -1.256  -1.438  -3.851
  528   2HB   SER  71          HB1       SER  71  -1.068  -2.628  -5.140
  529    HG   SER  71           HG       SER  71   1.318  -1.922  -4.049
  530    H    ASP  72           HN       ASP  72  -0.526  -0.876  -7.982
  531    HA   ASP  72           HA       ASP  72  -3.326  -0.303  -7.916
  532   1HB   ASP  72          HB2       ASP  72  -2.181   2.004  -7.843
  533   2HB   ASP  72          HB1       ASP  72  -1.635   1.659  -9.480
  534    H    GLN  73           HN       GLN  73  -3.861   0.084 -10.541
  535    HA   GLN  73           HA       GLN  73  -2.349  -2.028 -11.929
  536   1HB   GLN  73          HB2       GLN  73  -4.471  -2.881 -10.800
  537   2HB   GLN  73          HB1       GLN  73  -5.366  -1.884 -11.938
  538   1HG   GLN  73          HG2       GLN  73  -5.325  -4.119 -12.757
  539   2HG   GLN  73          HG1       GLN  73  -4.290  -3.137 -13.791
  540   1HE2  GLN  73          HE21      GLN  73  -3.115  -4.910 -14.506
  541   2HE2  GLN  73          HE22      GLN  73  -1.993  -5.760 -13.489
  542    H    LEU  74           HN       LEU  74  -3.248   1.065 -11.961
  543    HA   LEU  74           HA       LEU  74  -3.564   2.698 -13.499
  544   1HB   LEU  74          HB2       LEU  74  -2.617   0.585 -15.441
  545   2HB   LEU  74          HB1       LEU  74  -2.851   2.274 -15.848
  546    HG   LEU  74           HG       LEU  74  -0.840   1.183 -13.877
  547   1HD1  LEU  74          HD11      LEU  74  -0.491   2.461 -16.586
  548   2HD1  LEU  74          HD12      LEU  74  -0.244   0.758 -16.201
  549   3HD1  LEU  74          HD13      LEU  74   0.811   1.983 -15.495
  550   1HD2  LEU  74          HD21      LEU  74  -1.692   3.355 -13.160
  551   2HD2  LEU  74          HD22      LEU  74  -1.353   4.022 -14.758
  552   3HD2  LEU  74          HD23      LEU  74  -0.027   3.484 -13.728
  553    H    GLU  75           HN       GLU  75  -5.620   0.790 -12.750
  554    HA   GLU  75           HA       GLU  75  -7.389   0.824 -15.086
  555   1HB   GLU  75          HB2       GLU  75  -6.871  -1.265 -13.555
  556   2HB   GLU  75          HB1       GLU  75  -8.051  -0.522 -12.486
  557   1HG   GLU  75          HG2       GLU  75  -8.579  -1.241 -15.358
  558   2HG   GLU  75          HG1       GLU  75  -8.969  -2.270 -13.983
  559    H    HIS  76           HN       HIS  76  -8.512   2.669 -15.190
  560    HA   HIS  76           HA       HIS  76  -8.811   4.259 -12.778
  561   1HB   HIS  76          HB2       HIS  76  -9.323   4.899 -15.681
  562   2HB   HIS  76          HB1       HIS  76  -9.567   6.042 -14.365
  563    HD1  HIS  76           HD1      HIS  76  -7.447   7.009 -13.217
  564    HD2  HIS  76           HD2      HIS  76  -6.660   4.430 -16.385
  565    HE1  HIS  76           HE1      HIS  76  -5.008   7.321 -13.761
  566    HE2  HIS  76           HE2      HIS  76  -4.620   5.905 -15.812
  567    H    HIS  77           HN       HIS  77 -10.550   1.842 -13.582
  568    HA   HIS  77           HA       HIS  77 -12.552   1.170 -12.756
  569   1HB   HIS  77          HB2       HIS  77 -12.312   2.874 -10.987
  570   2HB   HIS  77          HB1       HIS  77 -13.052   4.068 -12.047
  571    HD1  HIS  77           HD1      HIS  77 -13.833   1.224  -9.798
  572    HD2  HIS  77           HD2      HIS  77 -15.846   3.770 -12.400
  573    HE1  HIS  77           HE1      HIS  77 -16.282   0.883  -9.326
  574    HE2  HIS  77           HE2      HIS  77 -17.459   2.593 -10.761
  575    H    HIS  78           HN       HIS  78 -14.497   0.751 -13.639
  576    HA   HIS  78           HA       HIS  78 -16.126   0.652 -15.207
  577   1HB   HIS  78          HB2       HIS  78 -16.658   2.995 -14.531
  578   2HB   HIS  78          HB1       HIS  78 -15.538   3.575 -15.759
  579    HD1  HIS  78           HD1      HIS  78 -18.949   2.183 -15.293
  580    HD2  HIS  78           HD2      HIS  78 -16.474   3.345 -18.423
  581    HE1  HIS  78           HE1      HIS  78 -20.429   2.297 -17.321
  582    HE2  HIS  78           HE2      HIS  78 -18.961   3.261 -19.127
  583    H    HIS  79           HN       HIS  79 -14.964  -0.800 -16.427
  584    HA   HIS  79           HA       HIS  79 -13.409   0.379 -18.632
  585   1HB   HIS  79          HB2       HIS  79 -12.305  -0.937 -16.492
  586   2HB   HIS  79          HB1       HIS  79 -12.445  -2.219 -17.692
  587    HD1  HIS  79           HD1      HIS  79 -10.210   0.327 -16.604
  588    HD2  HIS  79           HD2      HIS  79 -11.245  -1.289 -20.300
  589    HE1  HIS  79           HE1      HIS  79  -8.339   0.951 -18.174
  590    HE2  HIS  79           HE2      HIS  79  -9.071   0.110 -20.438
  591    H    HIS  80           HN       HIS  80 -15.318   0.031 -19.930
  592    HA   HIS  80           HA       HIS  80 -15.402  -2.756 -20.892
  593   1HB   HIS  80          HB2       HIS  80 -17.602  -1.670 -20.245
  594   2HB   HIS  80          HB1       HIS  80 -17.354  -0.546 -21.577
  595    HD1  HIS  80           HD1      HIS  80 -17.914  -4.227 -20.917
  596    HD2  HIS  80           HD2      HIS  80 -18.107  -1.496 -24.052
  597    HE1  HIS  80           HE1      HIS  80 -19.000  -5.456 -22.825
  598    HE2  HIS  80           HE2      HIS  80 -19.272  -3.734 -24.642
  599    H    HIS  81           HN       HIS  81 -14.706   0.559 -21.596
  600    HA   HIS  81           HA       HIS  81 -13.577  -0.218 -24.200
  601   1HB   HIS  81          HB2       HIS  81 -14.014   2.552 -23.044
  602   2HB   HIS  81          HB1       HIS  81 -13.333   2.206 -24.628
  603    HD1  HIS  81           HD1      HIS  81 -16.309   3.364 -23.259
  604    HD2  HIS  81           HD2      HIS  81 -15.435   0.451 -26.098
  605    HE1  HIS  81           HE1      HIS  81 -18.422   3.055 -24.590
  606    HE2  HIS  81           HE2      HIS  81 -17.926   1.162 -26.177
  Start of MODEL    5
    1   1H    MET   1          HT1       MET   1  13.845   1.469   7.621
    2   2H    MET   1          HT2       MET   1  13.727   3.106   8.031
    3   3H    MET   1          HT3       MET   1  13.810   2.643   6.398
    4    HA   MET   1           HA       MET   1  11.694   1.495   6.603
    5   1HB   MET   1          HB2       MET   1  11.945   1.081   9.059
    6   2HB   MET   1          HB1       MET   1  11.598   2.779   9.343
    7   1HG   MET   1          HG2       MET   1   9.380   2.500   8.382
    8   2HG   MET   1          HG1       MET   1   9.728   0.803   8.053
    9   1HE   MET   1          HE1       MET   1   7.108   0.636  10.974
   10   2HE   MET   1          HE2       MET   1   7.485   0.137   9.326
   11   3HE   MET   1          HE3       MET   1   7.157   1.833   9.679
   12    H    GLU   2           HN       GLU   2  13.157   4.441   6.608
   13    HA   GLU   2           HA       GLU   2  11.005   6.267   6.634
   14   1HB   GLU   2          HB2       GLU   2  13.635   6.412   5.146
   15   2HB   GLU   2          HB1       GLU   2  12.503   7.742   5.287
   16   1HG   GLU   2          HG2       GLU   2  14.259   8.093   6.831
   17   2HG   GLU   2          HG1       GLU   2  12.815   7.666   7.748
   18    H    ILE   3           HN       ILE   3   9.352   6.422   5.241
   19    HA   ILE   3           HA       ILE   3   9.355   5.195   2.679
   20    HB   ILE   3           HB       ILE   3   7.322   6.643   2.249
   21   1HG1  ILE   3          HG12      ILE   3   7.702   7.382   5.164
   22   2HG1  ILE   3          HG11      ILE   3   7.925   8.481   3.807
   23   1HG2  ILE   3          HG21      ILE   3   5.907   5.370   3.804
   24   2HG2  ILE   3          HG22      ILE   3   7.345   4.901   4.709
   25   3HG2  ILE   3          HG23      ILE   3   7.138   4.364   3.042
   26   1HD1  ILE   3          HD11      ILE   3   5.568   8.237   3.225
   27   2HD1  ILE   3          HD12      ILE   3   5.776   8.827   4.875
   28   3HD1  ILE   3          HD13      ILE   3   5.347   7.140   4.589
   29    H    THR   4           HN       THR   4  10.663   5.823   1.108
   30    HA   THR   4           HA       THR   4  11.186   8.702   0.775
   31    HB   THR   4           HB       THR   4  13.315   6.661   0.203
   32    HG1  THR   4           HG1      THR   4  12.414   6.591   2.493
   33   1HG2  THR   4          HG21      THR   4  14.799   8.539   0.649
   34   2HG2  THR   4          HG22      THR   4  13.423   9.538   1.114
   35   3HG2  THR   4          HG23      THR   4  13.593   8.993  -0.557
   36    H    CYS   5           HN       CYS   5  10.978   9.426  -1.299
   37    HA   CYS   5           HA       CYS   5  10.209   7.663  -3.378
   38   1HB   CYS   5          HB2       CYS   5  10.826   9.899  -4.739
   39   2HB   CYS   5          HB1       CYS   5   9.320   9.695  -3.858
   40    HA   PRO   6           HA       PRO   6  14.117   6.030  -4.436
   41   1HB   PRO   6          HB2       PRO   6  13.089   5.734  -7.193
   42   2HB   PRO   6          HB1       PRO   6  13.652   4.501  -6.059
   43   1HG   PRO   6          HG2       PRO   6  11.054   4.782  -6.621
   44   2HG   PRO   6          HG1       PRO   6  11.608   4.361  -4.990
   45   1HD   PRO   6          HD2       PRO   6  10.677   6.999  -6.054
   46   2HD   PRO   6          HD1       PRO   6  10.348   6.233  -4.487
   47    H    VAL   7           HN       VAL   7  13.104   7.511  -7.503
   48    HA   VAL   7           HA       VAL   7  15.766   8.395  -8.022
   49    HB   VAL   7           HB       VAL   7  14.810   9.448 -10.056
   50   1HG1  VAL   7          HG11      VAL   7  14.110   7.359 -11.135
   51   2HG1  VAL   7          HG12      VAL   7  13.924   6.609  -9.548
   52   3HG1  VAL   7          HG13      VAL   7  15.519   7.121 -10.100
   53   1HG2  VAL   7          HG21      VAL   7  12.447   9.089 -10.605
   54   2HG2  VAL   7          HG22      VAL   7  12.633  10.103  -9.174
   55   3HG2  VAL   7          HG23      VAL   7  12.180   8.408  -9.000
   56    H    CYS   8           HN       CYS   8  12.926   9.828  -6.688
   57    HA   CYS   8           HA       CYS   8  14.052  12.514  -6.792
   58   1HB   CYS   8          HB2       CYS   8  11.620  12.690  -5.527
   59   2HB   CYS   8          HB1       CYS   8  11.881  12.881  -7.259
   60    H    HIS   9           HN       HIS   9  15.398  10.684  -5.221
   61    HA   HIS   9           HA       HIS   9  14.759  10.099  -2.667
   62   1HB   HIS   9          HB2       HIS   9  16.818   9.405  -3.844
   63   2HB   HIS   9          HB1       HIS   9  17.482  11.014  -3.601
   64    HD1  HIS   9           HD1      HIS   9  18.271  11.625  -1.180
   65    HD2  HIS   9           HD2      HIS   9  16.920   7.714  -1.643
   66    HE1  HIS   9           HE1      HIS   9  19.072  10.382   0.851
   67    HE2  HIS   9           HE2      HIS   9  18.412   7.981   0.456
   68    H    HIS  10           HN       HIS  10  13.580  11.633  -1.551
   69    HA   HIS  10           HA       HIS  10  15.091  13.103   0.293
   70   1HB   HIS  10          HB2       HIS  10  15.184  14.657  -1.766
   71   2HB   HIS  10          HB1       HIS  10  13.476  14.956  -1.463
   72    HD1  HIS  10           HD1      HIS  10  13.013  16.902   0.033
   73    HD2  HIS  10           HD2      HIS  10  16.819  15.332   0.638
   74    HE1  HIS  10           HE1      HIS  10  14.114  18.417   1.708
   75    HE2  HIS  10           HE2      HIS  10  16.340  17.345   2.194
   76    H    ALA  11           HN       ALA  11  13.501  11.363   1.049
   77    HA   ALA  11           HA       ALA  11  11.718  10.788   2.325
   78   1HB   ALA  11          HB1       ALA  11  11.425  13.756   2.723
   79   2HB   ALA  11          HB2       ALA  11  12.515  12.703   3.626
   80   3HB   ALA  11          HB3       ALA  11  10.768  12.485   3.755
   81    H    LEU  12           HN       LEU  12   9.469  10.548   2.438
   82    HA   LEU  12           HA       LEU  12   7.950  11.769   0.226
   83   1HB   LEU  12          HB2       LEU  12   7.624   9.154   1.684
   84   2HB   LEU  12          HB1       LEU  12   6.325   9.850   0.736
   85    HG   LEU  12           HG       LEU  12   9.035   9.089  -0.355
   86   1HD1  LEU  12          HD11      LEU  12   7.848   7.243  -1.428
   87   2HD1  LEU  12          HD12      LEU  12   6.362   7.713  -0.602
   88   3HD1  LEU  12          HD13      LEU  12   7.743   7.131   0.328
   89   1HD2  LEU  12          HD21      LEU  12   7.977  10.924  -1.562
   90   2HD2  LEU  12          HD22      LEU  12   6.497   9.977  -1.717
   91   3HD2  LEU  12          HD23      LEU  12   7.972   9.448  -2.526
   92    H    GLU  13           HN       GLU  13   5.642  12.150   0.697
   93    HA   GLU  13           HA       GLU  13   5.190  12.900   3.513
   94   1HB   GLU  13          HB2       GLU  13   5.370  14.853   2.009
   95   2HB   GLU  13          HB1       GLU  13   4.082  14.199   1.011
   96   1HG   GLU  13          HG2       GLU  13   2.540  14.386   2.917
   97   2HG   GLU  13          HG1       GLU  13   3.839  15.104   3.870
   98    H    ARG  14           HN       ARG  14   3.841  11.443   4.389
   99    HA   ARG  14           HA       ARG  14   2.119   9.873   2.707
  100   1HB   ARG  14          HB2       ARG  14   1.417   8.747   4.781
  101   2HB   ARG  14          HB1       ARG  14   3.162   8.784   4.595
  102   1HG   ARG  14          HG2       ARG  14   3.368  10.507   6.242
  103   2HG   ARG  14          HG1       ARG  14   1.616  10.705   6.321
  104   1HD   ARG  14          HD2       ARG  14   1.383   8.447   7.201
  105   2HD   ARG  14          HD1       ARG  14   3.123   8.201   7.072
  106    HE   ARG  14           HE       ARG  14   3.384   9.946   8.781
  107   1HH1  ARG  14          HH11      ARG  14   0.246   8.397   8.456
  108   2HH1  ARG  14          HH12      ARG  14  -0.240   8.744  10.086
  109   1HH2  ARG  14          HH21      ARG  14   2.764  10.355  10.939
  110   2HH2  ARG  14          HH22      ARG  14   1.196   9.863  11.496
  111    H    ASN  15           HN       ASN  15   0.097  10.225   2.187
  112    HA   ASN  15           HA       ASN  15  -1.366  12.452   3.331
  113   1HB   ASN  15          HB2       ASN  15  -1.432  11.946   0.887
  114   2HB   ASN  15          HB1       ASN  15  -2.218  10.417   1.247
  115   1HD2  ASN  15          HD21      ASN  15  -2.877  13.484   2.866
  116   2HD2  ASN  15          HD22      ASN  15  -4.491  13.644   2.266
  117    H    GLY  16           HN       GLY  16  -0.968   9.137   3.839
  118   1HA   GLY  16          HA2       GLY  16  -1.849   8.415   6.063
  119   2HA   GLY  16          HA1       GLY  16  -3.404   9.018   5.502
  120    H    ASP  17           HN       ASP  17  -4.257   8.021   3.513
  121    HA   ASP  17           HA       ASP  17  -3.909   5.139   3.602
  122   1HB   ASP  17          HB2       ASP  17  -5.890   5.082   2.144
  123   2HB   ASP  17          HB1       ASP  17  -6.184   6.059   3.578
  124    H    THR  18           HN       THR  18  -3.001   7.834   1.691
  125    HA   THR  18           HA       THR  18  -1.757   6.022  -0.257
  126    HB   THR  18           HB       THR  18  -1.965   8.049  -1.858
  127    HG1  THR  18           HG1      THR  18  -4.162   8.608  -0.125
  128   1HG2  THR  18          HG21      THR  18  -4.176   7.299  -2.618
  129   2HG2  THR  18          HG22      THR  18  -4.412   6.455  -1.087
  130   3HG2  THR  18          HG23      THR  18  -3.142   5.933  -2.194
  131    H    ALA  19           HN       ALA  19   0.153   7.058  -1.362
  132    HA   ALA  19           HA       ALA  19   1.634   8.694   0.593
  133   1HB   ALA  19          HB1       ALA  19   2.700   6.738  -1.439
  134   2HB   ALA  19          HB2       ALA  19   2.614   6.491   0.303
  135   3HB   ALA  19          HB3       ALA  19   3.683   7.726  -0.361
  136    H    HIS  20           HN       HIS  20   3.059  10.316  -0.242
  137    HA   HIS  20           HA       HIS  20   2.484  11.211  -2.962
  138   1HB   HIS  20          HB2       HIS  20   0.755  12.308  -1.764
  139   2HB   HIS  20          HB1       HIS  20   1.818  12.687  -0.416
  140    HD1  HIS  20           HD1      HIS  20   1.053  13.762  -3.955
  141    HD2  HIS  20           HD2      HIS  20   3.124  15.088  -0.593
  142    HE1  HIS  20           HE1      HIS  20   1.774  16.123  -4.476
  143    HE2  HIS  20           HE2      HIS  20   2.793  16.969  -2.326
  144    H    CYS  21           HN       CYS  21   4.221  12.096  -3.929
  145    HA   CYS  21           HA       CYS  21   6.660  12.506  -2.456
  146   1HB   CYS  21          HB2       CYS  21   5.859  12.881  -5.334
  147   2HB   CYS  21          HB1       CYS  21   7.411  13.460  -4.743
  148    H    GLU  22           HN       GLU  22   6.922  14.234  -1.221
  149    HA   GLU  22           HA       GLU  22   5.506  16.711  -1.774
  150   1HB   GLU  22          HB2       GLU  22   5.912  17.266   0.414
  151   2HB   GLU  22          HB1       GLU  22   6.030  15.522   0.546
  152   1HG   GLU  22          HG2       GLU  22   8.348  17.426   0.302
  153   2HG   GLU  22          HG1       GLU  22   7.779  16.693   1.792
  154    H    THR  23           HN       THR  23   8.379  15.253  -2.543
  155    HA   THR  23           HA       THR  23   9.991  17.671  -2.753
  156    HB   THR  23           HB       THR  23  10.720  14.825  -3.499
  157    HG1  THR  23           HG1      THR  23  10.972  16.195  -0.989
  158   1HG2  THR  23          HG21      THR  23  12.412  17.197  -2.693
  159   2HG2  THR  23          HG22      THR  23  12.253  16.549  -4.325
  160   3HG2  THR  23          HG23      THR  23  13.014  15.581  -3.063
  161    H    CYS  24           HN       CYS  24   7.729  16.061  -4.523
  162    HA   CYS  24           HA       CYS  24   8.661  16.949  -7.108
  163   1HB   CYS  24          HB2       CYS  24   8.086  14.198  -7.465
  164   2HB   CYS  24          HB1       CYS  24   9.643  15.003  -7.657
  165    H    ALA  25           HN       ALA  25   6.971  15.611  -8.754
  166    HA   ALA  25           HA       ALA  25   4.322  16.088  -7.562
  167   1HB   ALA  25          HB1       ALA  25   3.512  16.652  -9.780
  168   2HB   ALA  25          HB2       ALA  25   5.103  16.323 -10.466
  169   3HB   ALA  25          HB3       ALA  25   4.886  17.670  -9.348
  170    H    LYS  26           HN       LYS  26   4.702  13.821  -6.803
  171    HA   LYS  26           HA       LYS  26   3.593  11.956  -8.772
  172   1HB   LYS  26          HB2       LYS  26   5.893  11.284  -6.922
  173   2HB   LYS  26          HB1       LYS  26   5.109  10.181  -8.042
  174   1HG   LYS  26          HG2       LYS  26   5.910  11.504  -9.926
  175   2HG   LYS  26          HG1       LYS  26   6.680  12.633  -8.810
  176   1HD   LYS  26          HD2       LYS  26   8.348  11.120  -9.640
  177   2HD   LYS  26          HD1       LYS  26   8.048  10.749  -7.942
  178   1HE   LYS  26          HE2       LYS  26   8.218   8.707  -9.240
  179   2HE   LYS  26          HE1       LYS  26   6.584   8.904  -8.608
  180   1HZ   LYS  26          HZ1       LYS  26   6.621   8.169 -10.932
  181   2HZ   LYS  26          HZ2       LYS  26   7.427   9.595 -11.374
  182   3HZ   LYS  26          HZ3       LYS  26   5.848   9.669 -10.756
  183    H    ASP  27           HN       ASP  27   1.983  10.734  -7.965
  184    HA   ASP  27           HA       ASP  27   1.716  10.596  -5.033
  185   1HB   ASP  27          HB2       ASP  27  -0.472  10.763  -7.117
  186   2HB   ASP  27          HB1       ASP  27  -0.755  10.396  -5.419
  187    H    PHE  28           HN       PHE  28   1.333   8.620  -4.132
  188    HA   PHE  28           HA       PHE  28   1.508   6.356  -6.013
  189   1HB   PHE  28          HB2       PHE  28   2.715   6.590  -3.254
  190   2HB   PHE  28          HB1       PHE  28   2.799   5.170  -4.283
  191    HD1  PHE  28           HD2      PHE  28   3.747   5.717  -6.731
  192    HD2  PHE  28           HD1      PHE  28   4.547   7.949  -3.198
  193    HE1  PHE  28           HE2      PHE  28   5.812   6.579  -7.750
  194    HE2  PHE  28           HE1      PHE  28   6.614   8.815  -4.211
  195    HZ   PHE  28           HZ       PHE  28   7.250   8.129  -6.489
  196    H    SER  29           HN       SER  29  -0.107   4.996  -5.966
  197    HA   SER  29           HA       SER  29  -2.092   5.000  -3.902
  198   1HB   SER  29          HB2       SER  29  -1.685   2.971  -6.115
  199   2HB   SER  29          HB1       SER  29  -3.174   3.289  -5.223
  200    HG   SER  29           HG       SER  29  -1.838   5.058  -7.008
  201    H    LEU  30           HN       LEU  30  -2.012   3.880  -2.039
  202    HA   LEU  30           HA       LEU  30   0.145   1.923  -1.728
  203   1HB   LEU  30          HB2       LEU  30  -1.464   3.453   0.311
  204   2HB   LEU  30          HB1       LEU  30  -0.297   2.214   0.723
  205    HG   LEU  30           HG       LEU  30   0.303   4.832  -0.654
  206   1HD1  LEU  30          HD11      LEU  30   0.952   3.824   2.112
  207   2HD1  LEU  30          HD12      LEU  30  -0.225   5.075   1.711
  208   3HD1  LEU  30          HD13      LEU  30   1.492   5.353   1.420
  209   1HD2  LEU  30          HD21      LEU  30   1.783   3.062  -1.450
  210   2HD2  LEU  30          HD22      LEU  30   2.157   2.614   0.214
  211   3HD2  LEU  30          HD23      LEU  30   2.655   4.188  -0.408
  212    H    GLN  31           HN       GLN  31  -0.293  -0.144  -1.651
  213    HA   GLN  31           HA       GLN  31  -2.997  -0.990  -0.853
  214   1HB   GLN  31          HB2       GLN  31  -0.933  -2.471  -2.500
  215   2HB   GLN  31          HB1       GLN  31  -2.494  -3.116  -2.024
  216   1HG   GLN  31          HG2       GLN  31  -2.029  -0.752  -3.827
  217   2HG   GLN  31          HG1       GLN  31  -2.508  -2.371  -4.333
  218   1HE2  GLN  31          HE21      GLN  31  -4.609  -3.101  -3.826
  219   2HE2  GLN  31          HE22      GLN  31  -5.880  -1.989  -3.461
  220    H    ALA  32           HN       ALA  32  -2.787  -1.196   1.321
  221    HA   ALA  32           HA       ALA  32  -0.518  -2.319   2.608
  222   1HB   ALA  32          HB1       ALA  32  -1.974  -0.816   3.816
  223   2HB   ALA  32          HB2       ALA  32  -1.985  -2.392   4.610
  224   3HB   ALA  32          HB3       ALA  32  -3.341  -1.903   3.596
  225    H    LEU  33           HN       LEU  33   0.042  -4.328   1.968
  226    HA   LEU  33           HA       LEU  33  -2.081  -6.346   1.766
  227   1HB   LEU  33          HB2       LEU  33   0.042  -5.673   0.060
  228   2HB   LEU  33          HB1       LEU  33   0.491  -7.207   0.780
  229    HG   LEU  33           HG       LEU  33  -1.626  -8.192   0.001
  230   1HD1  LEU  33          HD11      LEU  33  -2.050  -5.513  -1.318
  231   2HD1  LEU  33          HD12      LEU  33  -2.998  -6.177   0.011
  232   3HD1  LEU  33          HD13      LEU  33  -3.034  -6.952  -1.572
  233   1HD2  LEU  33          HD21      LEU  33   0.363  -8.369  -1.388
  234   2HD2  LEU  33          HD22      LEU  33  -0.016  -6.825  -2.150
  235   3HD2  LEU  33          HD23      LEU  33  -1.082  -8.209  -2.386
  236    H    CYS  34           HN       CYS  34  -1.869  -8.333   2.752
  237    HA   CYS  34           HA       CYS  34   0.015  -8.422   4.979
  238   1HB   CYS  34          HB2       CYS  34  -1.403 -10.362   5.726
  239   2HB   CYS  34          HB1       CYS  34  -2.247  -8.820   5.643
  240    HA   PRO  35           HA       PRO  35   2.683 -10.743   2.270
  241   1HB   PRO  35          HB2       PRO  35   4.028 -11.261   4.873
  242   2HB   PRO  35          HB1       PRO  35   4.700 -10.643   3.361
  243   1HG   PRO  35          HG2       PRO  35   4.260  -9.008   5.411
  244   2HG   PRO  35          HG1       PRO  35   3.929  -8.487   3.747
  245   1HD   PRO  35          HD2       PRO  35   2.019  -9.348   5.880
  246   2HD   PRO  35          HD1       PRO  35   1.840  -8.075   4.655
  247    H    ASP  36           HN       ASP  36   1.531 -12.070   5.349
  248    HA   ASP  36           HA       ASP  36   2.263 -14.746   4.838
  249   1HB   ASP  36          HB2       ASP  36   1.740 -13.884   7.094
  250   2HB   ASP  36          HB1       ASP  36   0.051 -13.710   6.627
  251    H    CYS  37           HN       CYS  37  -1.148 -13.997   5.308
  252    HA   CYS  37           HA       CYS  37  -1.851 -15.717   3.095
  253   1HB   CYS  37          HB2       CYS  37  -4.178 -15.296   3.803
  254   2HB   CYS  37          HB1       CYS  37  -3.176 -15.796   5.161
  255    H    ARG  38           HN       ARG  38  -1.044 -14.585   1.304
  256    HA   ARG  38           HA       ARG  38  -1.709 -11.794   0.951
  257   1HB   ARG  38          HB2       ARG  38   0.521 -12.590   0.329
  258   2HB   ARG  38          HB1       ARG  38  -0.188 -13.672  -0.864
  259   1HG   ARG  38          HG2       ARG  38  -1.010 -11.782  -2.137
  260   2HG   ARG  38          HG1       ARG  38  -0.401 -10.666  -0.914
  261   1HD   ARG  38          HD2       ARG  38   1.124 -10.737  -2.785
  262   2HD   ARG  38          HD1       ARG  38   1.886 -11.457  -1.368
  263    HE   ARG  38           HE       ARG  38   0.594 -13.268  -3.265
  264   1HH1  ARG  38          HH11      ARG  38   3.534 -11.863  -2.000
  265   2HH1  ARG  38          HH12      ARG  38   4.577 -13.073  -2.682
  266   1HH2  ARG  38          HH21      ARG  38   1.960 -14.857  -4.213
  267   2HH2  ARG  38          HH22      ARG  38   3.675 -14.775  -3.944
  268    H    GLN  39           HN       GLN  39  -3.860 -11.773   0.736
  269    HA   GLN  39           HA       GLN  39  -4.865 -12.262  -1.940
  270   1HB   GLN  39          HB2       GLN  39  -6.366 -13.192   0.533
  271   2HB   GLN  39          HB1       GLN  39  -6.946 -13.278  -1.121
  272   1HG   GLN  39          HG2       GLN  39  -5.341 -14.951  -1.673
  273   2HG   GLN  39          HG1       GLN  39  -4.526 -14.754  -0.123
  274   1HE2  GLN  39          HE21      GLN  39  -8.006 -14.766  -0.477
  275   2HE2  GLN  39          HE22      GLN  39  -8.271 -16.279   0.315
  276    HA   PRO  40           HA       PRO  40  -6.670  -8.230  -1.447
  277   1HB   PRO  40          HB2       PRO  40  -9.340  -9.528  -1.805
  278   2HB   PRO  40          HB1       PRO  40  -8.676  -8.091  -2.590
  279   1HG   PRO  40          HG2       PRO  40  -8.762 -10.415  -3.882
  280   2HG   PRO  40          HG1       PRO  40  -7.372  -9.328  -4.055
  281   1HD   PRO  40          HD2       PRO  40  -7.600 -11.886  -2.556
  282   2HD   PRO  40          HD1       PRO  40  -6.191 -11.166  -3.358
  283    H    LEU  41           HN       LEU  41  -6.676  -7.371   0.529
  284    HA   LEU  41           HA       LEU  41  -7.894  -8.657   2.783
  285   1HB   LEU  41          HB2       LEU  41  -6.431  -6.060   2.402
  286   2HB   LEU  41          HB1       LEU  41  -7.283  -6.390   3.896
  287    HG   LEU  41           HG       LEU  41  -5.858  -8.497   4.080
  288   1HD1  LEU  41          HD11      LEU  41  -4.281  -7.064   1.954
  289   2HD1  LEU  41          HD12      LEU  41  -5.060  -8.641   1.809
  290   3HD1  LEU  41          HD13      LEU  41  -3.702  -8.424   2.918
  291   1HD2  LEU  41          HD21      LEU  41  -5.499  -6.529   5.459
  292   2HD2  LEU  41          HD22      LEU  41  -4.508  -5.806   4.192
  293   3HD2  LEU  41          HD23      LEU  41  -3.964  -7.272   5.011
  294    H    GLN  42           HN       GLN  42  -9.198  -7.108   4.298
  295    HA   GLN  42           HA       GLN  42 -11.550  -6.325   2.799
  296   1HB   GLN  42          HB2       GLN  42 -11.052  -6.372   5.785
  297   2HB   GLN  42          HB1       GLN  42 -12.604  -6.086   5.009
  298   1HG   GLN  42          HG2       GLN  42 -12.528  -8.337   4.044
  299   2HG   GLN  42          HG1       GLN  42 -10.987  -8.621   4.851
  300   1HE2  GLN  42          HE21      GLN  42 -14.413  -8.306   5.240
  301   2HE2  GLN  42          HE22      GLN  42 -14.491  -8.888   6.867
  302    H    VAL  43           HN       VAL  43 -11.948  -4.307   2.219
  303    HA   VAL  43           HA       VAL  43 -10.039  -2.262   2.869
  304    HB   VAL  43           HB       VAL  43 -12.581  -1.991   1.252
  305   1HG1  VAL  43          HG11      VAL  43 -10.074  -0.314   1.327
  306   2HG1  VAL  43          HG12      VAL  43 -11.651   0.138   1.976
  307   3HG1  VAL  43          HG13      VAL  43 -11.440  -0.073   0.238
  308   1HG2  VAL  43          HG21      VAL  43 -11.177  -3.747   0.320
  309   2HG2  VAL  43          HG22      VAL  43  -9.789  -2.659   0.326
  310   3HG2  VAL  43          HG23      VAL  43 -11.168  -2.324  -0.722
  311    H    LEU  44           HN       LEU  44 -10.202  -1.567   4.907
  312    HA   LEU  44           HA       LEU  44 -12.794  -0.925   6.055
  313   1HB   LEU  44          HB2       LEU  44 -10.024  -0.644   7.229
  314   2HB   LEU  44          HB1       LEU  44 -11.535  -0.461   8.099
  315    HG   LEU  44           HG       LEU  44 -10.516  -3.018   6.858
  316   1HD1  LEU  44          HD11      LEU  44 -10.777  -2.174   9.742
  317   2HD1  LEU  44          HD12      LEU  44  -9.269  -2.369   8.847
  318   3HD1  LEU  44          HD13      LEU  44 -10.289  -3.771   9.173
  319   1HD2  LEU  44          HD21      LEU  44 -12.985  -2.480   8.499
  320   2HD2  LEU  44          HD22      LEU  44 -12.419  -4.066   7.978
  321   3HD2  LEU  44          HD23      LEU  44 -12.944  -2.880   6.783
  322    H    LYS  45           HN       LYS  45 -13.435   0.828   4.795
  323    HA   LYS  45           HA       LYS  45 -11.766   3.193   4.748
  324   1HB   LYS  45          HB2       LYS  45 -13.991   4.111   3.639
  325   2HB   LYS  45          HB1       LYS  45 -12.853   3.119   2.742
  326   1HG   LYS  45          HG2       LYS  45 -14.302   1.134   3.481
  327   2HG   LYS  45          HG1       LYS  45 -15.512   2.356   3.884
  328   1HD   LYS  45          HD2       LYS  45 -15.590   3.131   1.631
  329   2HD   LYS  45          HD1       LYS  45 -14.180   2.168   1.188
  330   1HE   LYS  45          HE2       LYS  45 -15.539   0.124   1.752
  331   2HE   LYS  45          HE1       LYS  45 -16.940   1.186   1.891
  332   1HZ   LYS  45          HZ1       LYS  45 -15.256   0.943  -0.545
  333   2HZ   LYS  45          HZ2       LYS  45 -16.701   1.818  -0.398
  334   3HZ   LYS  45          HZ3       LYS  45 -16.722   0.123  -0.313
  335    H    ALA  46           HN       ALA  46 -11.591   4.176   6.625
  336    HA   ALA  46           HA       ALA  46 -13.790   4.156   8.513
  337   1HB   ALA  46          HB1       ALA  46 -11.519   3.687   9.295
  338   2HB   ALA  46          HB2       ALA  46 -12.194   5.112  10.086
  339   3HB   ALA  46          HB3       ALA  46 -11.012   5.298   8.790
  340    H    CYS  47           HN       CYS  47 -15.224   5.471   7.312
  341    HA   CYS  47           HA       CYS  47 -16.387   7.399   7.048
  342   1HB   CYS  47          HB2       CYS  47 -14.318   8.644   8.868
  343   2HB   CYS  47          HB1       CYS  47 -15.938   9.251   8.540
  344    HG   CYS  47           HG       CYS  47 -15.112   7.585  11.063
  345    H    GLY  48           HN       GLY  48 -13.971   6.742   5.356
  346   1HA   GLY  48          HA2       GLY  48 -14.132   8.485   3.366
  347   2HA   GLY  48          HA1       GLY  48 -13.134   9.396   4.487
  348    H    ALA  49           HN       ALA  49 -11.240   7.971   5.392
  349    HA   ALA  49           HA       ALA  49  -9.703   7.300   3.038
  350   1HB   ALA  49          HB1       ALA  49  -7.799   7.196   4.544
  351   2HB   ALA  49          HB2       ALA  49  -8.874   7.309   5.938
  352   3HB   ALA  49          HB3       ALA  49  -8.727   8.670   4.825
  353    H    VAL  50           HN       VAL  50  -8.696   5.324   2.624
  354    HA   VAL  50           HA       VAL  50 -10.158   3.052   3.746
  355    HB   VAL  50           HB       VAL  50  -9.311   1.772   1.820
  356   1HG1  VAL  50          HG11      VAL  50 -10.577   2.959   0.067
  357   2HG1  VAL  50          HG12      VAL  50 -10.637   4.385   1.104
  358   3HG1  VAL  50          HG13      VAL  50 -11.440   2.896   1.604
  359   1HG2  VAL  50          HG21      VAL  50  -8.044   4.379   0.976
  360   2HG2  VAL  50          HG22      VAL  50  -8.140   2.918  -0.006
  361   3HG2  VAL  50          HG23      VAL  50  -7.190   2.920   1.479
  362    H    ASP  51           HN       ASP  51  -9.146   1.240   4.567
  363    HA   ASP  51           HA       ASP  51  -6.227   1.167   4.693
  364   1HB   ASP  51          HB2       ASP  51  -7.326   2.206   6.830
  365   2HB   ASP  51          HB1       ASP  51  -7.815   0.549   7.173
  366    H    TYR  52           HN       TYR  52  -5.515  -0.887   4.322
  367    HA   TYR  52           HA       TYR  52  -7.577  -2.933   4.017
  368   1HB   TYR  52          HB2       TYR  52  -4.678  -3.057   3.170
  369   2HB   TYR  52          HB1       TYR  52  -5.951  -4.181   2.723
  370    HD1  TYR  52           HD2      TYR  52  -4.539  -0.848   2.148
  371    HD2  TYR  52           HD1      TYR  52  -7.574  -3.608   1.019
  372    HE1  TYR  52           HE2      TYR  52  -5.001   0.491   0.140
  373    HE2  TYR  52           HE1      TYR  52  -8.041  -2.276  -0.995
  374    HH   TYR  52           HH       TYR  52  -5.958   0.218  -2.064
  375    H    PHE  53           HN       PHE  53  -7.938  -4.238   5.651
  376    HA   PHE  53           HA       PHE  53  -5.721  -5.332   7.219
  377   1HB   PHE  53          HB2       PHE  53  -6.561  -3.122   8.245
  378   2HB   PHE  53          HB1       PHE  53  -8.040  -3.997   8.618
  379    HD1  PHE  53           HD2      PHE  53  -4.405  -3.873   9.244
  380    HD2  PHE  53           HD1      PHE  53  -8.167  -5.432  10.484
  381    HE1  PHE  53           HE2      PHE  53  -3.380  -4.676  11.331
  382    HE2  PHE  53           HE1      PHE  53  -7.148  -6.234  12.573
  383    HZ   PHE  53           HZ       PHE  53  -4.752  -5.859  12.999
  384    H    CYS  54           HN       CYS  54  -6.092  -7.426   7.599
  385    HA   CYS  54           HA       CYS  54  -8.564  -8.650   6.914
  386   1HB   CYS  54          HB2       CYS  54  -6.222  -9.783   8.466
  387   2HB   CYS  54          HB1       CYS  54  -7.497 -10.710   7.689
  388    H    GLN  55           HN       GLN  55 -10.140  -7.694   8.199
  389    HA   GLN  55           HA       GLN  55  -9.804  -7.499  11.055
  390   1HB   GLN  55          HB2       GLN  55 -10.971  -5.738   9.817
  391   2HB   GLN  55          HB1       GLN  55 -12.184  -6.896   9.289
  392   1HG   GLN  55          HG2       GLN  55 -12.854  -7.228  11.632
  393   2HG   GLN  55          HG1       GLN  55 -11.678  -6.008  12.120
  394   1HE2  GLN  55          HE21      GLN  55 -12.087  -3.844  11.689
  395   2HE2  GLN  55          HE22      GLN  55 -13.649  -3.279  11.197
  396    H    ASN  56           HN       ASN  56 -11.954  -9.261   8.861
  397    HA   ASN  56           HA       ASN  56 -12.753 -10.980  11.115
  398   1HB   ASN  56          HB2       ASN  56 -14.130 -10.529   8.455
  399   2HB   ASN  56          HB1       ASN  56 -14.716 -11.574   9.742
  400   1HD2  ASN  56          HD21      ASN  56 -13.929  -9.739  11.867
  401   2HD2  ASN  56          HD22      ASN  56 -15.058  -8.428  11.811
  402    H    GLY  57           HN       GLY  57 -12.027 -11.099   7.642
  403   1HA   GLY  57          HA2       GLY  57 -11.513 -13.966   7.838
  404   2HA   GLY  57          HA1       GLY  57 -11.601 -13.022   6.357
  405    H    HIS  58           HN       HIS  58  -9.615 -14.803   6.609
  406    HA   HIS  58           HA       HIS  58  -7.379 -14.998   6.223
  407   1HB   HIS  58          HB2       HIS  58  -7.372 -11.996   6.533
  408   2HB   HIS  58          HB1       HIS  58  -5.937 -12.936   6.161
  409    HD2  HIS  58           HD2      HIS  58  -9.424 -13.293   4.334
  410    HE1  HIS  58           HE1      HIS  58  -6.483 -12.028   1.554
  411    HE2  HIS  58           HE2      HIS  58  -8.918 -12.547   1.908
  412    H    GLY  59           HN       GLY  59  -7.229 -12.242   8.427
  413   1HA   GLY  59          HA2       GLY  59  -6.897 -13.129  10.882
  414   2HA   GLY  59          HA1       GLY  59  -5.436 -13.780  10.142
  415    H    LEU  60           HN       LEU  60  -6.548 -11.294  11.896
  416    HA   LEU  60           HA       LEU  60  -5.558  -8.990  10.650
  417   1HB   LEU  60          HB2       LEU  60  -5.580  -7.973  12.899
  418   2HB   LEU  60          HB1       LEU  60  -7.072  -8.797  12.505
  419    HG   LEU  60           HG       LEU  60  -4.970 -10.148  14.179
  420   1HD1  LEU  60          HD11      LEU  60  -6.128  -9.322  16.169
  421   2HD1  LEU  60          HD12      LEU  60  -7.160  -8.314  15.153
  422   3HD1  LEU  60          HD13      LEU  60  -5.426  -7.998  15.237
  423   1HD2  LEU  60          HD21      LEU  60  -6.799 -11.520  13.292
  424   2HD2  LEU  60          HD22      LEU  60  -7.975 -10.427  14.024
  425   3HD2  LEU  60          HD23      LEU  60  -6.894 -11.374  15.046
  426    H    ILE  61           HN       ILE  61  -3.572  -8.991   9.866
  427    HA   ILE  61           HA       ILE  61  -1.308  -9.932  11.396
  428    HB   ILE  61           HB       ILE  61  -1.370  -8.403   8.783
  429   1HG1  ILE  61          HG12      ILE  61  -2.520 -10.553   8.575
  430   2HG1  ILE  61          HG11      ILE  61  -0.990 -10.582   7.706
  431   1HG2  ILE  61          HG21      ILE  61   0.858  -9.969  10.075
  432   2HG2  ILE  61          HG22      ILE  61   0.771  -8.215   9.922
  433   3HG2  ILE  61          HG23      ILE  61   0.916  -9.221   8.480
  434   1HD1  ILE  61          HD11      ILE  61  -1.381 -12.665   8.892
  435   2HD1  ILE  61          HD12      ILE  61  -1.493 -11.787  10.418
  436   3HD1  ILE  61          HD13      ILE  61   0.032 -11.826   9.533
  437    H    SER  62           HN       SER  62  -0.032  -8.695  12.648
  438    HA   SER  62           HA       SER  62  -0.750  -6.230  13.629
  439   1HB   SER  62          HB2       SER  62   2.068  -7.304  13.338
  440   2HB   SER  62          HB1       SER  62   1.554  -6.041  14.455
  441    HG   SER  62           HG       SER  62   0.273  -8.552  14.512
  442    H    LYS  63           HN       LYS  63  -0.368  -4.107  13.084
  443    HA   LYS  63           HA       LYS  63  -0.239  -3.623  10.315
  444   1HB   LYS  63          HB2       LYS  63  -1.408  -2.267  12.188
  445   2HB   LYS  63          HB1       LYS  63   0.138  -1.440  12.333
  446   1HG   LYS  63          HG2       LYS  63   0.021  -0.716  10.037
  447   2HG   LYS  63          HG1       LYS  63  -1.452  -1.656   9.783
  448   1HD   LYS  63          HD2       LYS  63  -2.572  -0.269  11.506
  449   2HD   LYS  63          HD1       LYS  63  -1.113   0.715  11.619
  450   1HE   LYS  63          HE2       LYS  63  -2.699   1.822  10.187
  451   2HE   LYS  63          HE1       LYS  63  -1.346   1.256   9.212
  452   1HZ   LYS  63          HZ1       LYS  63  -3.549   0.848   8.189
  453   2HZ   LYS  63          HZ2       LYS  63  -3.933  -0.183   9.472
  454   3HZ   LYS  63          HZ3       LYS  63  -2.662  -0.574   8.435
  455    H    LYS  64           HN       LYS  64   2.269  -3.769  12.686
  456    HA   LYS  64           HA       LYS  64   4.195  -2.299  11.144
  457   1HB   LYS  64          HB2       LYS  64   4.522  -4.255  13.417
  458   2HB   LYS  64          HB1       LYS  64   5.874  -3.449  12.637
  459   1HG   LYS  64          HG2       LYS  64   4.647  -1.270  13.237
  460   2HG   LYS  64          HG1       LYS  64   3.722  -2.281  14.353
  461   1HD   LYS  64          HD2       LYS  64   5.825  -3.042  15.379
  462   2HD   LYS  64          HD1       LYS  64   6.724  -1.990  14.286
  463   1HE   LYS  64          HE2       LYS  64   6.565  -0.820  16.325
  464   2HE   LYS  64          HE1       LYS  64   5.390  -0.072  15.245
  465   1HZ   LYS  64          HZ1       LYS  64   4.517  -0.442  17.487
  466   2HZ   LYS  64          HZ2       LYS  64   4.745  -2.115  17.304
  467   3HZ   LYS  64          HZ3       LYS  64   3.633  -1.296  16.320
  468    H    ARG  65           HN       ARG  65   2.832  -5.391  10.903
  469    HA   ARG  65           HA       ARG  65   5.075  -6.396   9.293
  470   1HB   ARG  65          HB2       ARG  65   2.839  -7.720  10.776
  471   2HB   ARG  65          HB1       ARG  65   3.574  -8.546   9.410
  472   1HG   ARG  65          HG2       ARG  65   5.705  -8.570  10.475
  473   2HG   ARG  65          HG1       ARG  65   5.131  -7.511  11.766
  474   1HD   ARG  65          HD2       ARG  65   3.810  -9.188  12.713
  475   2HD   ARG  65          HD1       ARG  65   3.833 -10.162  11.245
  476    HE   ARG  65           HE       ARG  65   5.958 -10.952  11.806
  477   1HH1  ARG  65          HH11      ARG  65   4.850  -8.592  14.161
  478   2HH1  ARG  65          HH12      ARG  65   5.970  -9.114  15.386
  479   1HH2  ARG  65          HH21      ARG  65   7.401 -11.639  13.409
  480   2HH2  ARG  65          HH22      ARG  65   7.412 -10.863  14.964
  481    H    VAL  66           HN       VAL  66   2.218  -4.783   8.953
  482    HA   VAL  66           HA       VAL  66   1.258  -6.042   6.559
  483    HB   VAL  66           HB       VAL  66   0.635  -3.302   7.687
  484   1HG1  VAL  66          HG11      VAL  66  -0.761  -4.886   5.533
  485   2HG1  VAL  66          HG12      VAL  66   0.184  -3.417   5.294
  486   3HG1  VAL  66          HG13      VAL  66  -1.320  -3.359   6.214
  487   1HG2  VAL  66          HG21      VAL  66  -0.030  -5.108   9.181
  488   2HG2  VAL  66          HG22      VAL  66  -0.890  -5.896   7.861
  489   3HG2  VAL  66          HG23      VAL  66  -1.443  -4.333   8.462
  490    H    ASN  67           HN       ASN  67   1.961  -5.725   4.547
  491    HA   ASN  67           HA       ASN  67   4.160  -3.834   4.204
  492   1HB   ASN  67          HB2       ASN  67   4.450  -6.233   3.550
  493   2HB   ASN  67          HB1       ASN  67   3.220  -6.000   2.313
  494   1HD2  ASN  67          HD21      ASN  67   5.589  -3.570   3.185
  495   2HD2  ASN  67          HD22      ASN  67   6.464  -3.627   1.698
  496    H    PHE  68           HN       PHE  68   3.296  -1.875   3.829
  497    HA   PHE  68           HA       PHE  68   1.111  -1.424   2.050
  498   1HB   PHE  68          HB2       PHE  68   3.167   0.418   3.279
  499   2HB   PHE  68          HB1       PHE  68   1.905   0.993   2.197
  500    HD1  PHE  68           HD2      PHE  68   2.332  -0.965   5.356
  501    HD2  PHE  68           HD1      PHE  68  -0.097   1.687   3.074
  502    HE1  PHE  68           HE2      PHE  68   0.782  -0.757   7.251
  503    HE2  PHE  68           HE1      PHE  68  -1.652   1.896   4.969
  504    HZ   PHE  68           HZ       PHE  68  -1.213   0.673   7.060
  505    H    VAL  69           HN       VAL  69   1.400  -2.109   0.019
  506    HA   VAL  69           HA       VAL  69   3.982  -1.700  -1.288
  507    HB   VAL  69           HB       VAL  69   1.561  -3.210  -2.295
  508   1HG1  VAL  69          HG11      VAL  69   4.428  -3.221  -3.234
  509   2HG1  VAL  69          HG12      VAL  69   3.058  -2.502  -4.080
  510   3HG1  VAL  69          HG13      VAL  69   3.137  -4.249  -3.854
  511   1HG2  VAL  69          HG21      VAL  69   2.408  -4.217  -0.245
  512   2HG2  VAL  69          HG22      VAL  69   4.032  -4.267  -0.930
  513   3HG2  VAL  69          HG23      VAL  69   2.745  -5.242  -1.640
  514    H    ILE  70           HN       ILE  70   4.306  -0.074  -2.647
  515    HA   ILE  70           HA       ILE  70   2.199   1.603  -3.609
  516    HB   ILE  70           HB       ILE  70   5.086   1.420  -4.505
  517   1HG1  ILE  70          HG12      ILE  70   3.742   3.356  -2.603
  518   2HG1  ILE  70          HG11      ILE  70   4.804   2.037  -2.124
  519   1HG2  ILE  70          HG21      ILE  70   4.700   3.676  -5.439
  520   2HG2  ILE  70          HG22      ILE  70   2.986   3.512  -5.056
  521   3HG2  ILE  70          HG23      ILE  70   3.735   2.429  -6.228
  522   1HD1  ILE  70          HD11      ILE  70   5.968   4.165  -2.097
  523   2HD1  ILE  70          HD12      ILE  70   5.586   4.410  -3.803
  524   3HD1  ILE  70          HD13      ILE  70   6.651   3.090  -3.317
  525    H    SER  71           HN       SER  71   0.758   0.510  -4.852
  526    HA   SER  71           HA       SER  71   1.716  -0.570  -7.378
  527   1HB   SER  71          HB2       SER  71   1.735  -2.486  -5.804
  528   2HB   SER  71          HB1       SER  71   0.027  -2.210  -5.471
  529    HG   SER  71           HG       SER  71  -0.483  -2.845  -7.504
  530    H    ASP  72           HN       ASP  72   0.592   0.670  -8.723
  531    HA   ASP  72           HA       ASP  72  -2.198   1.258  -8.287
  532   1HB   ASP  72          HB2       ASP  72  -2.014   2.239 -10.633
  533   2HB   ASP  72          HB1       ASP  72  -0.992   2.977  -9.407
  534    H    GLN  73           HN       GLN  73  -3.572  -0.372  -8.449
  535    HA   GLN  73           HA       GLN  73  -3.077  -2.430 -10.493
  536   1HB   GLN  73          HB2       GLN  73  -4.564  -3.839  -8.897
  537   2HB   GLN  73          HB1       GLN  73  -2.887  -3.542  -8.467
  538   1HG   GLN  73          HG2       GLN  73  -4.003  -3.177  -6.481
  539   2HG   GLN  73          HG1       GLN  73  -3.801  -1.551  -7.121
  540   1HE2  GLN  73          HE21      GLN  73  -5.504  -0.652  -6.052
  541   2HE2  GLN  73          HE22      GLN  73  -7.160  -1.064  -6.361
  542    H    LEU  74           HN       LEU  74  -4.587   0.100 -10.775
  543    HA   LEU  74           HA       LEU  74  -7.365  -0.410 -10.748
  544   1HB   LEU  74          HB2       LEU  74  -6.350   1.850 -10.809
  545   2HB   LEU  74          HB1       LEU  74  -5.836   1.552 -12.458
  546    HG   LEU  74           HG       LEU  74  -8.219   1.333 -13.126
  547   1HD1  LEU  74          HD11      LEU  74  -9.953   2.098 -11.581
  548   2HD1  LEU  74          HD12      LEU  74  -8.751   2.242 -10.299
  549   3HD1  LEU  74          HD13      LEU  74  -9.139   0.658 -10.970
  550   1HD2  LEU  74          HD21      LEU  74  -8.734   3.723 -12.971
  551   2HD2  LEU  74          HD22      LEU  74  -7.048   3.443 -13.406
  552   3HD2  LEU  74          HD23      LEU  74  -7.467   3.912 -11.758
  553    H    GLU  75           HN       GLU  75  -4.843  -1.076 -13.064
  554    HA   GLU  75           HA       GLU  75  -6.827  -1.940 -15.059
  555   1HB   GLU  75          HB2       GLU  75  -5.146  -1.750 -16.701
  556   2HB   GLU  75          HB1       GLU  75  -4.888  -0.360 -15.658
  557   1HG   GLU  75          HG2       GLU  75  -3.337  -2.934 -15.465
  558   2HG   GLU  75          HG1       GLU  75  -2.809  -1.520 -16.370
  559    H    HIS  76           HN       HIS  76  -5.551  -3.207 -12.481
  560    HA   HIS  76           HA       HIS  76  -4.729  -5.169 -11.709
  561   1HB   HIS  76          HB2       HIS  76  -5.515  -6.281 -14.418
  562   2HB   HIS  76          HB1       HIS  76  -5.011  -7.241 -13.034
  563    HD1  HIS  76           HD1      HIS  76  -7.839  -7.214 -14.602
  564    HD2  HIS  76           HD2      HIS  76  -6.999  -5.671 -10.835
  565    HE1  HIS  76           HE1      HIS  76 -10.043  -7.149 -13.392
  566    HE2  HIS  76           HE2      HIS  76  -9.534  -6.053 -11.175
  567    H    HIS  77           HN       HIS  77  -2.682  -4.305 -11.587
  568    HA   HIS  77           HA       HIS  77  -0.912  -3.975 -13.719
  569   1HB   HIS  77          HB2       HIS  77  -0.877  -3.380 -11.036
  570   2HB   HIS  77          HB1       HIS  77   0.362  -4.626 -11.155
  571    HD1  HIS  77           HD1      HIS  77  -0.529  -1.264 -12.668
  572    HD2  HIS  77           HD2      HIS  77   2.760  -3.759 -12.130
  573    HE1  HIS  77           HE1      HIS  77   1.461   0.055 -13.454
  574    HE2  HIS  77           HE2      HIS  77   3.403  -1.544 -13.301
  575    H    HIS  78           HN       HIS  78  -0.258  -5.502 -15.022
  576    HA   HIS  78           HA       HIS  78   0.236  -8.205 -13.984
  577   1HB   HIS  78          HB2       HIS  78  -2.062  -8.044 -14.864
  578   2HB   HIS  78          HB1       HIS  78  -1.437  -7.451 -16.394
  579    HD1  HIS  78           HD1      HIS  78  -1.733  -9.202 -18.064
  580    HD2  HIS  78           HD2      HIS  78  -0.580 -10.776 -14.394
  581    HE1  HIS  78           HE1      HIS  78  -1.547 -11.685 -18.421
  582    HE2  HIS  78           HE2      HIS  78  -1.131 -12.623 -16.122
  583    H    HIS  79           HN       HIS  79   2.238  -8.773 -14.525
  584    HA   HIS  79           HA       HIS  79   3.805  -7.229 -16.331
  585   1HB   HIS  79          HB2       HIS  79   4.373  -9.885 -14.997
  586   2HB   HIS  79          HB1       HIS  79   5.558  -8.969 -15.920
  587    HD1  HIS  79           HD1      HIS  79   6.789  -7.134 -14.721
  588    HD2  HIS  79           HD2      HIS  79   3.566  -8.610 -12.539
  589    HE1  HIS  79           HE1      HIS  79   6.981  -6.099 -12.432
  590    HE2  HIS  79           HE2      HIS  79   4.941  -6.889 -11.178
  591    H    HIS  80           HN       HIS  80   2.948 -10.675 -16.433
  592    HA   HIS  80           HA       HIS  80   2.304 -10.516 -19.232
  593   1HB   HIS  80          HB2       HIS  80   4.855 -10.753 -19.105
  594   2HB   HIS  80          HB1       HIS  80   4.563 -12.371 -18.472
  595    HD1  HIS  80           HD1      HIS  80   4.250 -14.182 -20.162
  596    HD2  HIS  80           HD2      HIS  80   3.731 -10.385 -21.788
  597    HE1  HIS  80           HE1      HIS  80   4.017 -14.527 -22.642
  598    HE2  HIS  80           HE2      HIS  80   3.588 -12.232 -23.591
  599    H    HIS  81           HN       HIS  81   2.944 -12.462 -16.385
  600    HA   HIS  81           HA       HIS  81   0.452 -13.897 -16.892
  601   1HB   HIS  81          HB2       HIS  81   1.378 -16.028 -16.242
  602   2HB   HIS  81          HB1       HIS  81   2.368 -15.389 -17.547
  603    HD1  HIS  81           HD1      HIS  81   2.449 -16.207 -13.900
  604    HD2  HIS  81           HD2      HIS  81   5.008 -14.768 -16.845
  605    HE1  HIS  81           HE1      HIS  81   4.758 -16.316 -12.907
  606    HE2  HIS  81           HE2      HIS  81   6.263 -15.265 -14.636
  Start of MODEL    6
    1   1H    MET   1          HT1       MET   1  12.100   3.035   8.905
    2   2H    MET   1          HT2       MET   1  13.326   3.944   8.168
    3   3H    MET   1          HT3       MET   1  13.628   2.342   8.638
    4    HA   MET   1           HA       MET   1  13.331   2.411   6.286
    5   1HB   MET   1          HB2       MET   1  10.903   1.286   7.701
    6   2HB   MET   1          HB1       MET   1  11.373   0.896   6.053
    7   1HG   MET   1          HG2       MET   1  12.045  -0.864   7.550
    8   2HG   MET   1          HG1       MET   1  13.465  -0.061   6.885
    9   1HE   MET   1          HE1       MET   1  13.506  -2.005   9.419
   10   2HE   MET   1          HE2       MET   1  14.589  -1.125  10.497
   11   3HE   MET   1          HE3       MET   1  14.954  -1.227   8.776
   12    H    GLU   2           HN       GLU   2  13.003   4.183   5.094
   13    HA   GLU   2           HA       GLU   2  10.449   5.606   5.420
   14   1HB   GLU   2          HB2       GLU   2  13.095   6.591   4.340
   15   2HB   GLU   2          HB1       GLU   2  11.621   7.545   4.405
   16   1HG   GLU   2          HG2       GLU   2  12.838   8.244   6.255
   17   2HG   GLU   2          HG1       GLU   2  11.660   7.116   6.920
   18    H    ILE   3           HN       ILE   3   9.100   5.865   3.750
   19    HA   ILE   3           HA       ILE   3   9.498   4.415   1.320
   20    HB   ILE   3           HB       ILE   3   7.395   6.510   1.896
   21   1HG1  ILE   3          HG12      ILE   3   7.222   3.520   2.350
   22   2HG1  ILE   3          HG11      ILE   3   7.473   4.706   3.627
   23   1HG2  ILE   3          HG21      ILE   3   7.443   4.206  -0.052
   24   2HG2  ILE   3          HG22      ILE   3   7.593   5.917  -0.456
   25   3HG2  ILE   3          HG23      ILE   3   6.084   5.297   0.215
   26   1HD1  ILE   3          HD11      ILE   3   5.313   5.714   3.116
   27   2HD1  ILE   3          HD12      ILE   3   5.155   4.004   3.517
   28   3HD1  ILE   3          HD13      ILE   3   5.064   4.528   1.836
   29    H    THR   4           HN       THR   4  10.788   5.122  -0.272
   30    HA   THR   4           HA       THR   4  11.185   8.027  -0.546
   31    HB   THR   4           HB       THR   4  13.440   7.471  -1.436
   32    HG1  THR   4           HG1      THR   4  12.588   5.150  -1.820
   33   1HG2  THR   4          HG21      THR   4  13.163   8.064   0.928
   34   2HG2  THR   4          HG22      THR   4  14.452   6.878   0.718
   35   3HG2  THR   4          HG23      THR   4  12.875   6.369   1.323
   36    H    CYS   5           HN       CYS   5  10.871   8.941  -2.501
   37    HA   CYS   5           HA       CYS   5   9.937   7.498  -4.755
   38   1HB   CYS   5          HB2       CYS   5   9.427   9.876  -4.469
   39   2HB   CYS   5          HB1       CYS   5  11.137  10.279  -4.551
   40    HA   PRO   6           HA       PRO   6  13.676   5.594  -6.034
   41   1HB   PRO   6          HB2       PRO   6  13.122   5.378  -8.731
   42   2HB   PRO   6          HB1       PRO   6  12.539   4.271  -7.485
   43   1HG   PRO   6          HG2       PRO   6  11.145   6.582  -8.772
   44   2HG   PRO   6          HG1       PRO   6  10.507   4.981  -8.350
   45   1HD   PRO   6          HD2       PRO   6   9.987   7.123  -6.833
   46   2HD   PRO   6          HD1       PRO   6  10.278   5.528  -6.104
   47    H    VAL   7           HN       VAL   7  12.613   8.537  -7.614
   48    HA   VAL   7           HA       VAL   7  15.304   8.924  -8.725
   49    HB   VAL   7           HB       VAL   7  13.297   9.208 -10.208
   50   1HG1  VAL   7          HG11      VAL   7  11.772  10.236  -8.643
   51   2HG1  VAL   7          HG12      VAL   7  12.012  11.293 -10.034
   52   3HG1  VAL   7          HG13      VAL   7  12.820  11.648  -8.507
   53   1HG2  VAL   7          HG21      VAL   7  15.446  10.210 -10.782
   54   2HG2  VAL   7          HG22      VAL   7  15.021  11.657  -9.869
   55   3HG2  VAL   7          HG23      VAL   7  14.106  11.225 -11.313
   56    H    CYS   8           HN       CYS   8  13.751   9.553  -5.923
   57    HA   CYS   8           HA       CYS   8  14.951  12.222  -5.615
   58   1HB   CYS   8          HB2       CYS   8  12.548  10.962  -4.323
   59   2HB   CYS   8          HB1       CYS   8  13.332  12.380  -3.636
   60    H    HIS   9           HN       HIS   9  14.636   9.049  -4.092
   61    HA   HIS   9           HA       HIS   9  15.561   8.128  -2.225
   62   1HB   HIS   9          HB2       HIS   9  17.712  10.111  -2.955
   63   2HB   HIS   9          HB1       HIS   9  17.854   9.096  -1.523
   64    HD1  HIS   9           HD1      HIS   9  19.224   9.127  -4.665
   65    HD2  HIS   9           HD2      HIS   9  17.082   6.220  -2.596
   66    HE1  HIS   9           HE1      HIS   9  19.789   6.942  -5.776
   67    HE2  HIS   9           HE2      HIS   9  18.335   5.233  -4.628
   68    H    HIS  10           HN       HIS  10  13.830  10.550  -2.175
   69    HA   HIS  10           HA       HIS  10  14.437  11.591   0.504
   70   1HB   HIS  10          HB2       HIS  10  12.924  12.677  -1.849
   71   2HB   HIS  10          HB1       HIS  10  12.485  13.207  -0.233
   72    HD1  HIS  10           HD1      HIS  10  15.613  13.087  -2.431
   73    HD2  HIS  10           HD2      HIS  10  13.897  15.340   0.618
   74    HE1  HIS  10           HE1      HIS  10  17.076  15.111  -2.174
   75    HE2  HIS  10           HE2      HIS  10  16.011  16.476  -0.348
   76    H    ALA  11           HN       ALA  11  12.842  11.472   2.103
   77    HA   ALA  11           HA       ALA  11  11.025   9.275   1.874
   78   1HB   ALA  11          HB1       ALA  11  12.160   9.779   3.984
   79   2HB   ALA  11          HB2       ALA  11  10.407   9.806   4.174
   80   3HB   ALA  11          HB3       ALA  11  11.308  11.320   4.076
   81    H    LEU  12           HN       LEU  12   8.930   9.294   1.407
   82    HA   LEU  12           HA       LEU  12   7.781  11.755   0.403
   83   1HB   LEU  12          HB2       LEU  12   6.507   9.026   0.523
   84   2HB   LEU  12          HB1       LEU  12   6.078  10.360  -0.533
   85    HG   LEU  12           HG       LEU  12   8.640   8.766  -0.669
   86   1HD1  LEU  12          HD11      LEU  12   6.235   8.793  -2.485
   87   2HD1  LEU  12          HD12      LEU  12   6.701   7.485  -1.397
   88   3HD1  LEU  12          HD13      LEU  12   7.734   7.905  -2.764
   89   1HD2  LEU  12          HD21      LEU  12   9.162  10.002  -2.633
   90   2HD2  LEU  12          HD22      LEU  12   8.819  11.162  -1.349
   91   3HD2  LEU  12          HD23      LEU  12   7.610  10.832  -2.588
   92    H    GLU  13           HN       GLU  13   5.998  12.802   1.224
   93    HA   GLU  13           HA       GLU  13   5.436  12.415   4.001
   94   1HB   GLU  13          HB2       GLU  13   4.603  14.347   1.912
   95   2HB   GLU  13          HB1       GLU  13   3.508  14.135   3.271
   96   1HG   GLU  13          HG2       GLU  13   5.008  15.985   3.668
   97   2HG   GLU  13          HG1       GLU  13   5.309  14.687   4.819
   98    H    ARG  14           HN       ARG  14   3.943  11.240   4.925
   99    HA   ARG  14           HA       ARG  14   2.126   9.724   3.174
  100   1HB   ARG  14          HB2       ARG  14   3.891   8.511   4.475
  101   2HB   ARG  14          HB1       ARG  14   3.120   9.060   5.952
  102   1HG   ARG  14          HG2       ARG  14   1.133   7.779   5.430
  103   2HG   ARG  14          HG1       ARG  14   1.838   7.285   3.884
  104   1HD   ARG  14          HD2       ARG  14   3.641   6.148   5.036
  105   2HD   ARG  14          HD1       ARG  14   3.033   6.707   6.591
  106    HE   ARG  14           HE       ARG  14   1.309   4.996   4.937
  107   1HH1  ARG  14          HH11      ARG  14   3.351   5.389   7.773
  108   2HH1  ARG  14          HH12      ARG  14   2.733   3.962   8.562
  109   1HH2  ARG  14          HH21      ARG  14   0.518   3.132   5.952
  110   2HH2  ARG  14          HH22      ARG  14   1.121   2.685   7.524
  111    H    ASN  15           HN       ASN  15   0.273  10.890   3.124
  112    HA   ASN  15           HA       ASN  15  -0.743  12.190   5.512
  113   1HB   ASN  15          HB2       ASN  15  -0.944  13.298   3.325
  114   2HB   ASN  15          HB1       ASN  15  -1.951  11.976   2.742
  115   1HD2  ASN  15          HD21      ASN  15  -1.795  14.775   4.791
  116   2HD2  ASN  15          HD22      ASN  15  -3.492  14.906   5.086
  117    H    GLY  16           HN       GLY  16  -2.872  10.510   3.275
  118   1HA   GLY  16          HA2       GLY  16  -3.950   8.957   5.523
  119   2HA   GLY  16          HA1       GLY  16  -4.747   9.229   3.976
  120    H    ASP  17           HN       ASP  17  -1.690   7.902   5.142
  121    HA   ASP  17           HA       ASP  17  -0.391   6.171   4.507
  122   1HB   ASP  17          HB2       ASP  17  -2.819   5.044   4.974
  123   2HB   ASP  17          HB1       ASP  17  -2.550   4.558   3.300
  124    H    THR  18           HN       THR  18  -1.427   8.272   2.577
  125    HA   THR  18           HA       THR  18  -0.529   6.992   0.090
  126    HB   THR  18           HB       THR  18  -1.819   9.714   0.344
  127    HG1  THR  18           HG1      THR  18  -2.945   7.297   0.757
  128   1HG2  THR  18          HG21      THR  18  -0.658   9.241  -1.765
  129   2HG2  THR  18          HG22      THR  18  -2.403   9.345  -2.005
  130   3HG2  THR  18          HG23      THR  18  -1.612   7.769  -1.958
  131    H    ALA  19           HN       ALA  19   1.272   7.907  -0.989
  132    HA   ALA  19           HA       ALA  19   2.916   9.521   0.850
  133   1HB   ALA  19          HB1       ALA  19   4.847   8.376  -0.078
  134   2HB   ALA  19          HB2       ALA  19   3.802   7.483  -1.182
  135   3HB   ALA  19          HB3       ALA  19   3.675   7.224   0.558
  136    H    HIS  20           HN       HIS  20   2.905  11.544   0.194
  137    HA   HIS  20           HA       HIS  20   2.820  12.270  -2.608
  138   1HB   HIS  20          HB2       HIS  20   1.540  13.608  -1.040
  139   2HB   HIS  20          HB1       HIS  20   2.974  13.919  -0.071
  140    HD1  HIS  20           HD1      HIS  20   1.172  15.043  -3.127
  141    HD2  HIS  20           HD2      HIS  20   4.719  15.880  -1.121
  142    HE1  HIS  20           HE1      HIS  20   2.044  17.169  -4.147
  143    HE2  HIS  20           HE2      HIS  20   4.272  17.561  -3.039
  144    H    CYS  21           HN       CYS  21   4.554  12.595  -3.847
  145    HA   CYS  21           HA       CYS  21   7.194  12.621  -2.713
  146   1HB   CYS  21          HB2       CYS  21   6.867  11.510  -4.837
  147   2HB   CYS  21          HB1       CYS  21   6.236  12.991  -5.554
  148    H    GLU  22           HN       GLU  22   8.512  14.273  -2.382
  149    HA   GLU  22           HA       GLU  22   7.355  16.801  -1.944
  150   1HB   GLU  22          HB2       GLU  22   9.994  17.317  -1.687
  151   2HB   GLU  22          HB1       GLU  22   9.006  16.582  -0.437
  152   1HG   GLU  22          HG2       GLU  22  11.023  15.340  -0.607
  153   2HG   GLU  22          HG1       GLU  22   9.723  14.349  -1.258
  154    H    THR  23           HN       THR  23   9.388  15.599  -4.562
  155    HA   THR  23           HA       THR  23   9.570  18.356  -5.576
  156    HB   THR  23           HB       THR  23  11.497  17.421  -6.960
  157    HG1  THR  23           HG1      THR  23  11.265  15.239  -6.772
  158   1HG2  THR  23          HG21      THR  23  11.725  17.466  -3.946
  159   2HG2  THR  23          HG22      THR  23  11.871  18.854  -5.026
  160   3HG2  THR  23          HG23      THR  23  13.082  17.570  -5.068
  161    H    CYS  24           HN       CYS  24   8.622  15.083  -6.472
  162    HA   CYS  24           HA       CYS  24   8.352  15.803  -9.255
  163   1HB   CYS  24          HB2       CYS  24   7.594  13.267  -7.794
  164   2HB   CYS  24          HB1       CYS  24   7.536  13.483  -9.540
  165    H    ALA  25           HN       ALA  25   6.465  16.231  -6.533
  166    HA   ALA  25           HA       ALA  25   4.297  16.801  -6.139
  167   1HB   ALA  25          HB1       ALA  25   3.112  18.011  -7.886
  168   2HB   ALA  25          HB2       ALA  25   4.261  17.430  -9.092
  169   3HB   ALA  25          HB3       ALA  25   4.798  18.524  -7.818
  170    H    LYS  26           HN       LYS  26   4.906  14.088  -6.742
  171    HA   LYS  26           HA       LYS  26   2.374  13.156  -7.910
  172   1HB   LYS  26          HB2       LYS  26   4.162  12.748  -9.495
  173   2HB   LYS  26          HB1       LYS  26   5.164  12.033  -8.244
  174   1HG   LYS  26          HG2       LYS  26   3.547  10.181  -8.051
  175   2HG   LYS  26          HG1       LYS  26   2.619  10.891  -9.377
  176   1HD   LYS  26          HD2       LYS  26   4.480  10.631 -10.884
  177   2HD   LYS  26          HD1       LYS  26   5.520  10.082  -9.568
  178   1HE   LYS  26          HE2       LYS  26   4.050   8.126  -9.269
  179   2HE   LYS  26          HE1       LYS  26   3.087   8.665 -10.645
  180   1HZ   LYS  26          HZ1       LYS  26   5.975   7.969 -10.747
  181   2HZ   LYS  26          HZ2       LYS  26   5.008   8.426 -12.065
  182   3HZ   LYS  26          HZ3       LYS  26   4.706   6.966 -11.262
  183    H    ASP  27           HN       ASP  27   1.203  12.132  -6.381
  184    HA   ASP  27           HA       ASP  27   2.653  10.923  -4.148
  185   1HB   ASP  27          HB2       ASP  27   0.463  10.857  -2.988
  186   2HB   ASP  27          HB1       ASP  27   0.948  12.482  -3.449
  187    H    PHE  28           HN       PHE  28   2.381   8.828  -3.534
  188    HA   PHE  28           HA       PHE  28   1.399   7.067  -5.672
  189   1HB   PHE  28          HB2       PHE  28   3.397   6.519  -3.464
  190   2HB   PHE  28          HB1       PHE  28   2.905   5.367  -4.699
  191    HD1  PHE  28           HD1      PHE  28   4.814   8.425  -4.025
  192    HD2  PHE  28           HD2      PHE  28   3.738   5.520  -6.942
  193    HE1  PHE  28           HE1      PHE  28   6.609   9.244  -5.496
  194    HE2  PHE  28           HE2      PHE  28   5.530   6.332  -8.417
  195    HZ   PHE  28           HZ       PHE  28   6.970   8.196  -7.695
  196    H    SER  29           HN       SER  29  -0.320   5.842  -5.313
  197    HA   SER  29           HA       SER  29  -1.501   5.714  -2.681
  198   1HB   SER  29          HB2       SER  29  -2.881   5.984  -4.755
  199   2HB   SER  29          HB1       SER  29  -2.391   4.362  -5.246
  200    HG   SER  29           HG       SER  29  -3.735   4.967  -2.817
  201    H    LEU  30           HN       LEU  30  -1.033   4.194  -1.249
  202    HA   LEU  30           HA       LEU  30   0.429   1.826  -2.155
  203   1HB   LEU  30          HB2       LEU  30   0.109   2.967   0.627
  204   2HB   LEU  30          HB1       LEU  30   1.102   1.587   0.195
  205    HG   LEU  30           HG       LEU  30   1.546   4.427  -0.734
  206   1HD1  LEU  30          HD11      LEU  30   2.042   4.100   1.636
  207   2HD1  LEU  30          HD12      LEU  30   3.514   4.353   0.698
  208   3HD1  LEU  30          HD13      LEU  30   3.077   2.731   1.233
  209   1HD2  LEU  30          HD21      LEU  30   2.253   2.798  -2.403
  210   2HD2  LEU  30          HD22      LEU  30   3.180   1.929  -1.179
  211   3HD2  LEU  30          HD23      LEU  30   3.649   3.564  -1.645
  212    H    GLN  31           HN       GLN  31  -0.180  -0.234  -1.529
  213    HA   GLN  31           HA       GLN  31  -2.946  -0.439  -0.542
  214   1HB   GLN  31          HB2       GLN  31  -2.785  -1.099  -2.886
  215   2HB   GLN  31          HB1       GLN  31  -1.496  -2.230  -2.503
  216   1HG   GLN  31          HG2       GLN  31  -2.983  -3.619  -1.265
  217   2HG   GLN  31          HG1       GLN  31  -4.276  -2.425  -1.374
  218   1HE2  GLN  31          HE21      GLN  31  -5.664  -3.895  -2.333
  219   2HE2  GLN  31          HE22      GLN  31  -5.483  -4.410  -3.971
  220    H    ALA  32           HN       ALA  32  -3.174  -1.408   1.317
  221    HA   ALA  32           HA       ALA  32  -1.014  -2.675   2.681
  222   1HB   ALA  32          HB1       ALA  32  -3.930  -2.268   3.288
  223   2HB   ALA  32          HB2       ALA  32  -2.531  -1.521   4.055
  224   3HB   ALA  32          HB3       ALA  32  -2.894  -3.223   4.346
  225    H    LEU  33           HN       LEU  33  -0.336  -4.685   2.286
  226    HA   LEU  33           HA       LEU  33  -2.364  -6.750   1.745
  227   1HB   LEU  33          HB2       LEU  33  -0.805  -6.050  -0.220
  228   2HB   LEU  33          HB1       LEU  33   0.426  -6.942   0.654
  229    HG   LEU  33           HG       LEU  33  -0.979  -8.971   0.537
  230   1HD1  LEU  33          HD11      LEU  33  -2.763  -7.269  -1.200
  231   2HD1  LEU  33          HD12      LEU  33  -3.162  -7.885   0.403
  232   3HD1  LEU  33          HD13      LEU  33  -2.922  -9.005  -0.938
  233   1HD2  LEU  33          HD21      LEU  33  -0.408  -7.659  -2.117
  234   2HD2  LEU  33          HD22      LEU  33  -0.658  -9.384  -1.856
  235   3HD2  LEU  33          HD23      LEU  33   0.739  -8.578  -1.143
  236    H    CYS  34           HN       CYS  34  -1.551  -8.970   2.336
  237    HA   CYS  34           HA       CYS  34  -0.351  -8.741   4.987
  238   1HB   CYS  34          HB2       CYS  34  -1.992 -10.871   3.642
  239   2HB   CYS  34          HB1       CYS  34  -1.189 -11.138   5.182
  240    HA   PRO  35           HA       PRO  35   3.323 -10.887   3.481
  241   1HB   PRO  35          HB2       PRO  35   4.611 -10.885   5.872
  242   2HB   PRO  35          HB1       PRO  35   4.583  -9.476   4.805
  243   1HG   PRO  35          HG2       PRO  35   2.934 -10.052   7.233
  244   2HG   PRO  35          HG1       PRO  35   3.694  -8.530   6.732
  245   1HD   PRO  35          HD2       PRO  35   1.053  -9.059   6.365
  246   2HD   PRO  35          HD1       PRO  35   1.988  -8.014   5.276
  247    H    ASP  36           HN       ASP  36   1.054 -11.620   5.951
  248    HA   ASP  36           HA       ASP  36   2.084 -14.301   6.440
  249   1HB   ASP  36          HB2       ASP  36   0.442 -14.461   8.168
  250   2HB   ASP  36          HB1       ASP  36   1.110 -12.835   8.273
  251    H    CYS  37           HN       CYS  37  -0.094 -12.726   4.367
  252    HA   CYS  37           HA       CYS  37  -0.879 -15.136   3.090
  253   1HB   CYS  37          HB2       CYS  37  -3.401 -14.656   3.415
  254   2HB   CYS  37          HB1       CYS  37  -2.538 -15.469   4.712
  255    H    ARG  38           HN       ARG  38  -0.101 -14.195   1.218
  256    HA   ARG  38           HA       ARG  38  -0.904 -11.507   0.526
  257   1HB   ARG  38          HB2       ARG  38   0.935 -13.502  -0.745
  258   2HB   ARG  38          HB1       ARG  38   0.410 -12.078  -1.631
  259   1HG   ARG  38          HG2       ARG  38   1.333 -10.641   0.103
  260   2HG   ARG  38          HG1       ARG  38   1.850 -12.063   1.010
  261   1HD   ARG  38          HD2       ARG  38   3.493 -12.605  -0.538
  262   2HD   ARG  38          HD1       ARG  38   2.730 -11.664  -1.821
  263    HE   ARG  38           HE       ARG  38   3.449  -9.653  -0.619
  264   1HH1  ARG  38          HH11      ARG  38   5.038 -12.673   0.185
  265   2HH1  ARG  38          HH12      ARG  38   6.499 -11.896   0.718
  266   1HH2  ARG  38          HH21      ARG  38   5.341  -8.641   0.100
  267   2HH2  ARG  38          HH22      ARG  38   6.676  -9.600   0.681
  268    H    GLN  39           HN       GLN  39  -3.147 -12.063   0.530
  269    HA   GLN  39           HA       GLN  39  -4.021 -12.402  -2.239
  270   1HB   GLN  39          HB2       GLN  39  -5.284 -13.764   0.165
  271   2HB   GLN  39          HB1       GLN  39  -6.099 -13.575  -1.378
  272   1HG   GLN  39          HG2       GLN  39  -3.557 -15.113  -0.912
  273   2HG   GLN  39          HG1       GLN  39  -5.167 -15.807  -1.092
  274   1HE2  GLN  39          HE21      GLN  39  -2.835 -16.326  -2.670
  275   2HE2  GLN  39          HE22      GLN  39  -3.201 -15.862  -4.299
  276    HA   PRO  40           HA       PRO  40  -6.436  -8.712  -1.508
  277   1HB   PRO  40          HB2       PRO  40  -8.926 -10.332  -1.820
  278   2HB   PRO  40          HB1       PRO  40  -8.476  -8.805  -2.585
  279   1HG   PRO  40          HG2       PRO  40  -8.346 -11.096  -3.939
  280   2HG   PRO  40          HG1       PRO  40  -7.117  -9.837  -4.153
  281   1HD   PRO  40          HD2       PRO  40  -6.940 -12.432  -2.706
  282   2HD   PRO  40          HD1       PRO  40  -5.681 -11.531  -3.574
  283    H    LEU  41           HN       LEU  41  -6.670  -7.858   0.469
  284    HA   LEU  41           HA       LEU  41  -7.449  -9.494   2.714
  285   1HB   LEU  41          HB2       LEU  41  -7.013  -6.512   2.764
  286   2HB   LEU  41          HB1       LEU  41  -6.882  -7.642   4.095
  287    HG   LEU  41           HG       LEU  41  -4.945  -7.174   1.845
  288   1HD1  LEU  41          HD11      LEU  41  -3.370  -6.898   3.703
  289   2HD1  LEU  41          HD12      LEU  41  -4.674  -7.211   4.847
  290   3HD1  LEU  41          HD13      LEU  41  -4.727  -5.777   3.822
  291   1HD2  LEU  41          HD21      LEU  41  -4.980  -9.504   3.753
  292   2HD2  LEU  41          HD22      LEU  41  -3.662  -9.090   2.656
  293   3HD2  LEU  41          HD23      LEU  41  -5.229  -9.580   2.009
  294    H    GLN  42           HN       GLN  42  -8.956  -8.178   4.376
  295    HA   GLN  42           HA       GLN  42 -11.487  -7.855   3.000
  296   1HB   GLN  42          HB2       GLN  42 -10.878  -8.896   5.438
  297   2HB   GLN  42          HB1       GLN  42 -11.318  -7.257   5.896
  298   1HG   GLN  42          HG2       GLN  42 -13.020  -9.253   4.427
  299   2HG   GLN  42          HG1       GLN  42 -13.245  -8.662   6.070
  300   1HE2  GLN  42          HE21      GLN  42 -14.092  -6.602   6.393
  301   2HE2  GLN  42          HE22      GLN  42 -14.888  -5.720   5.134
  302    H    VAL  43           HN       VAL  43 -12.088  -5.958   2.241
  303    HA   VAL  43           HA       VAL  43 -10.508  -3.625   2.784
  304    HB   VAL  43           HB       VAL  43 -13.050  -3.819   1.152
  305   1HG1  VAL  43          HG11      VAL  43 -10.794  -1.822   1.084
  306   2HG1  VAL  43          HG12      VAL  43 -12.420  -1.541   1.708
  307   3HG1  VAL  43          HG13      VAL  43 -12.176  -1.853  -0.011
  308   1HG2  VAL  43          HG21      VAL  43 -11.420  -5.439   0.348
  309   2HG2  VAL  43          HG22      VAL  43 -10.192  -4.176   0.258
  310   3HG2  VAL  43          HG23      VAL  43 -11.602  -4.113  -0.799
  311    H    LEU  44           HN       LEU  44 -10.794  -2.655   4.669
  312    HA   LEU  44           HA       LEU  44 -13.444  -2.567   5.883
  313   1HB   LEU  44          HB2       LEU  44 -10.743  -1.787   6.981
  314   2HB   LEU  44          HB1       LEU  44 -12.243  -1.768   7.887
  315    HG   LEU  44           HG       LEU  44 -10.874  -4.215   6.758
  316   1HD1  LEU  44          HD11      LEU  44  -9.749  -3.310   8.709
  317   2HD1  LEU  44          HD12      LEU  44 -10.583  -4.808   9.122
  318   3HD1  LEU  44          HD13      LEU  44 -11.275  -3.254   9.589
  319   1HD2  LEU  44          HD21      LEU  44 -13.415  -3.971   8.365
  320   2HD2  LEU  44          HD22      LEU  44 -12.612  -5.478   7.928
  321   3HD2  LEU  44          HD23      LEU  44 -13.297  -4.449   6.671
  322    H    LYS  45           HN       LYS  45 -14.619  -0.966   5.074
  323    HA   LYS  45           HA       LYS  45 -13.456   1.662   4.608
  324   1HB   LYS  45          HB2       LYS  45 -15.094   0.624   3.005
  325   2HB   LYS  45          HB1       LYS  45 -16.320   0.748   4.257
  326   1HG   LYS  45          HG2       LYS  45 -15.887   3.229   4.275
  327   2HG   LYS  45          HG1       LYS  45 -14.910   2.984   2.829
  328   1HD   LYS  45          HD2       LYS  45 -17.825   2.251   3.109
  329   2HD   LYS  45          HD1       LYS  45 -17.215   3.701   2.317
  330   1HE   LYS  45          HE2       LYS  45 -17.624   2.245   0.549
  331   2HE   LYS  45          HE1       LYS  45 -15.893   2.083   0.821
  332   1HZ   LYS  45          HZ1       LYS  45 -17.918   0.216   1.940
  333   2HZ   LYS  45          HZ2       LYS  45 -16.234   0.019   1.937
  334   3HZ   LYS  45          HZ3       LYS  45 -17.095  -0.048   0.480
  335    H    ALA  46           HN       ALA  46 -13.413   3.140   6.199
  336    HA   ALA  46           HA       ALA  46 -15.052   2.679   8.565
  337   1HB   ALA  46          HB1       ALA  46 -12.699   3.104   8.930
  338   2HB   ALA  46          HB2       ALA  46 -13.663   4.412   9.618
  339   3HB   ALA  46          HB3       ALA  46 -12.820   4.646   8.086
  340    H    CYS  47           HN       CYS  47 -14.107   5.912   7.673
  341    HA   CYS  47           HA       CYS  47 -16.896   6.556   6.995
  342   1HB   CYS  47          HB2       CYS  47 -15.058   8.265   8.689
  343   2HB   CYS  47          HB1       CYS  47 -16.720   8.641   8.250
  344    HG   CYS  47           HG       CYS  47 -17.177   7.946  10.750
  345    H    GLY  48           HN       GLY  48 -13.789   8.285   7.196
  346   1HA   GLY  48          HA2       GLY  48 -14.128   9.006   4.345
  347   2HA   GLY  48          HA1       GLY  48 -13.397  10.074   5.539
  348    H    ALA  49           HN       ALA  49 -12.844   6.651   5.464
  349    HA   ALA  49           HA       ALA  49 -10.383   6.773   4.005
  350   1HB   ALA  49          HB1       ALA  49  -9.635   7.731   6.131
  351   2HB   ALA  49          HB2       ALA  49  -8.911   6.146   5.859
  352   3HB   ALA  49          HB3       ALA  49 -10.254   6.321   6.989
  353    H    VAL  50           HN       VAL  50  -9.335   4.626   3.933
  354    HA   VAL  50           HA       VAL  50 -11.091   2.417   4.697
  355    HB   VAL  50           HB       VAL  50 -11.662   2.980   2.372
  356   1HG1  VAL  50          HG11      VAL  50 -10.035   2.692   0.572
  357   2HG1  VAL  50          HG12      VAL  50  -8.767   2.408   1.763
  358   3HG1  VAL  50          HG13      VAL  50  -9.559   3.981   1.675
  359   1HG2  VAL  50          HG21      VAL  50 -10.132   0.398   2.647
  360   2HG2  VAL  50          HG22      VAL  50 -11.300   0.764   1.377
  361   3HG2  VAL  50          HG23      VAL  50 -11.826   0.666   3.058
  362    H    ASP  51           HN       ASP  51 -10.022   0.508   5.145
  363    HA   ASP  51           HA       ASP  51  -7.086   0.502   4.873
  364   1HB   ASP  51          HB2       ASP  51  -7.994   1.104   7.225
  365   2HB   ASP  51          HB1       ASP  51  -8.499  -0.576   7.318
  366    H    TYR  52           HN       TYR  52  -6.233  -1.779   5.235
  367    HA   TYR  52           HA       TYR  52  -8.174  -3.780   4.259
  368   1HB   TYR  52          HB2       TYR  52  -5.256  -3.543   3.487
  369   2HB   TYR  52          HB1       TYR  52  -6.327  -4.849   3.007
  370    HD1  TYR  52           HD2      TYR  52  -8.084  -4.466   1.348
  371    HD2  TYR  52           HD1      TYR  52  -5.366  -1.381   2.428
  372    HE1  TYR  52           HE2      TYR  52  -8.745  -3.195  -0.650
  373    HE2  TYR  52           HE1      TYR  52  -6.014  -0.102   0.431
  374    HH   TYR  52           HH       TYR  52  -8.746  -0.824  -1.416
  375    H    PHE  53           HN       PHE  53  -8.531  -5.101   5.951
  376    HA   PHE  53           HA       PHE  53  -6.234  -6.171   7.406
  377   1HB   PHE  53          HB2       PHE  53  -6.947  -3.968   8.476
  378   2HB   PHE  53          HB1       PHE  53  -8.430  -4.791   8.946
  379    HD1  PHE  53           HD1      PHE  53  -4.758  -4.829   9.305
  380    HD2  PHE  53           HD2      PHE  53  -8.492  -6.189  10.835
  381    HE1  PHE  53           HE1      PHE  53  -3.624  -5.686  11.316
  382    HE2  PHE  53           HE2      PHE  53  -7.362  -7.049  12.844
  383    HZ   PHE  53           HZ       PHE  53  -4.928  -6.796  13.088
  384    H    CYS  54           HN       CYS  54  -6.563  -8.193   8.107
  385    HA   CYS  54           HA       CYS  54  -9.016  -9.526   7.465
  386   1HB   CYS  54          HB2       CYS  54  -6.690 -10.617   9.047
  387   2HB   CYS  54          HB1       CYS  54  -7.897 -11.529   8.152
  388    H    GLN  55           HN       GLN  55 -10.725  -9.019   8.814
  389    HA   GLN  55           HA       GLN  55 -10.369  -9.157  11.676
  390   1HB   GLN  55          HB2       GLN  55 -12.878  -9.000   9.995
  391   2HB   GLN  55          HB1       GLN  55 -12.869  -9.017  11.753
  392   1HG   GLN  55          HG2       GLN  55 -11.387  -6.972  11.634
  393   2HG   GLN  55          HG1       GLN  55 -11.777  -6.909   9.917
  394   1HE2  GLN  55          HE21      GLN  55 -14.043  -7.957  12.366
  395   2HE2  GLN  55          HE22      GLN  55 -15.099  -6.588  12.251
  396    H    ASN  56           HN       ASN  56 -12.031 -11.113   9.217
  397    HA   ASN  56           HA       ASN  56 -11.191 -13.520  10.615
  398   1HB   ASN  56          HB2       ASN  56 -14.091 -12.868  10.048
  399   2HB   ASN  56          HB1       ASN  56 -13.519 -14.500  10.365
  400   1HD2  ASN  56          HD21      ASN  56 -12.844 -15.048  12.439
  401   2HD2  ASN  56          HD22      ASN  56 -13.223 -14.069  13.817
  402    H    GLY  57           HN       GLY  57 -10.892 -15.257   9.266
  403   1HA   GLY  57          HA2       GLY  57 -11.124 -16.571   7.368
  404   2HA   GLY  57          HA1       GLY  57 -12.154 -15.335   6.671
  405    H    HIS  58           HN       HIS  58  -8.802 -15.051   7.841
  406    HA   HIS  58           HA       HIS  58  -7.637 -15.297   5.265
  407   1HB   HIS  58          HB2       HIS  58  -8.819 -12.923   5.331
  408   2HB   HIS  58          HB1       HIS  58  -7.371 -12.476   6.231
  409    HD2  HIS  58           HD2      HIS  58  -8.135 -14.095   2.702
  410    HE1  HIS  58           HE1      HIS  58  -4.595 -11.778   2.462
  411    HE2  HIS  58           HE2      HIS  58  -6.365 -13.012   1.168
  412    H    GLY  59           HN       GLY  59  -7.006 -13.183   8.075
  413   1HA   GLY  59          HA2       GLY  59  -5.518 -14.519   9.752
  414   2HA   GLY  59          HA1       GLY  59  -4.403 -14.500   8.392
  415    H    LEU  60           HN       LEU  60  -5.652 -12.791  11.051
  416    HA   LEU  60           HA       LEU  60  -5.198 -10.125  10.289
  417   1HB   LEU  60          HB2       LEU  60  -5.494  -9.537  12.543
  418   2HB   LEU  60          HB1       LEU  60  -6.514 -10.938  12.288
  419    HG   LEU  60           HG       LEU  60  -3.777 -11.123  13.544
  420   1HD1  LEU  60          HD11      LEU  60  -4.937 -11.220  15.699
  421   2HD1  LEU  60          HD12      LEU  60  -6.458 -10.840  14.890
  422   3HD1  LEU  60          HD13      LEU  60  -5.147  -9.659  14.907
  423   1HD2  LEU  60          HD21      LEU  60  -4.638 -13.212  12.647
  424   2HD2  LEU  60          HD22      LEU  60  -6.148 -12.986  13.530
  425   3HD2  LEU  60          HD23      LEU  60  -4.641 -13.248  14.410
  426    H    ILE  61           HN       ILE  61  -3.547  -8.685  10.806
  427    HA   ILE  61           HA       ILE  61  -0.937  -9.902  11.425
  428    HB   ILE  61           HB       ILE  61  -0.797  -7.537   9.699
  429   1HG1  ILE  61          HG12      ILE  61  -1.227  -9.019   7.612
  430   2HG1  ILE  61          HG11      ILE  61  -2.182 -10.019   8.701
  431   1HG2  ILE  61          HG21      ILE  61   0.890  -8.888   8.550
  432   2HG2  ILE  61          HG22      ILE  61   0.435 -10.282   9.531
  433   3HG2  ILE  61          HG23      ILE  61   1.140  -8.857  10.295
  434   1HD1  ILE  61          HD11      ILE  61  -3.612  -8.489   7.506
  435   2HD1  ILE  61          HD12      ILE  61  -2.654  -7.113   8.061
  436   3HD1  ILE  61          HD13      ILE  61  -3.586  -8.062   9.218
  437    H    SER  62           HN       SER  62   0.615  -8.374  12.363
  438    HA   SER  62           HA       SER  62  -0.479  -6.240  13.913
  439   1HB   SER  62          HB2       SER  62   2.417  -6.593  13.082
  440   2HB   SER  62          HB1       SER  62   1.806  -5.737  14.499
  441    HG   SER  62           HG       SER  62   1.794  -8.531  13.994
  442    H    LYS  63           HN       LYS  63  -1.147  -4.308  13.081
  443    HA   LYS  63           HA       LYS  63  -0.845  -3.989  10.261
  444   1HB   LYS  63          HB2       LYS  63  -2.518  -2.374  10.347
  445   2HB   LYS  63          HB1       LYS  63  -2.932  -3.505  11.623
  446   1HG   LYS  63          HG2       LYS  63  -1.812  -1.901  13.224
  447   2HG   LYS  63          HG1       LYS  63  -1.786  -0.743  11.891
  448   1HD   LYS  63          HD2       LYS  63  -4.165  -1.968  13.263
  449   2HD   LYS  63          HD1       LYS  63  -3.754  -0.262  13.098
  450   1HE   LYS  63          HE2       LYS  63  -4.470  -2.060  10.783
  451   2HE   LYS  63          HE1       LYS  63  -5.635  -1.053  11.636
  452   1HZ   LYS  63          HZ1       LYS  63  -4.805  -0.032   9.584
  453   2HZ   LYS  63          HZ2       LYS  63  -3.227  -0.028  10.220
  454   3HZ   LYS  63          HZ3       LYS  63  -4.442   0.899  10.952
  455    H    LYS  64           HN       LYS  64   1.190  -3.133  12.677
  456    HA   LYS  64           HA       LYS  64   2.254  -0.739  11.478
  457   1HB   LYS  64          HB2       LYS  64   3.515  -2.696  13.411
  458   2HB   LYS  64          HB1       LYS  64   4.209  -1.153  12.944
  459   1HG   LYS  64          HG2       LYS  64   2.330   0.013  13.967
  460   2HG   LYS  64          HG1       LYS  64   1.619  -1.540  14.426
  461   1HD   LYS  64          HD2       LYS  64   3.619  -2.043  15.763
  462   2HD   LYS  64          HD1       LYS  64   4.297  -0.474  15.326
  463   1HE   LYS  64          HE2       LYS  64   2.468   0.656  16.443
  464   2HE   LYS  64          HE1       LYS  64   1.710  -0.892  16.815
  465   1HZ   LYS  64          HZ1       LYS  64   3.709  -1.460  18.121
  466   2HZ   LYS  64          HZ2       LYS  64   2.881  -0.111  18.732
  467   3HZ   LYS  64          HZ3       LYS  64   4.310   0.102  17.851
  468    H    ARG  65           HN       ARG  65   2.452  -4.121  10.937
  469    HA   ARG  65           HA       ARG  65   4.894  -3.804   9.317
  470   1HB   ARG  65          HB2       ARG  65   5.072  -5.216  11.404
  471   2HB   ARG  65          HB1       ARG  65   3.935  -6.332  10.664
  472   1HG   ARG  65          HG2       ARG  65   5.519  -6.680   8.812
  473   2HG   ARG  65          HG1       ARG  65   6.669  -5.614   9.624
  474   1HD   ARG  65          HD2       ARG  65   6.791  -7.109  11.509
  475   2HD   ARG  65          HD1       ARG  65   5.528  -8.132  10.824
  476    HE   ARG  65           HE       ARG  65   7.689  -7.904   9.010
  477   1HH1  ARG  65          HH11      ARG  65   6.836  -9.427  12.049
  478   2HH1  ARG  65          HH12      ARG  65   7.905 -10.775  11.815
  479   1HH2  ARG  65          HH21      ARG  65   9.090  -9.660   8.707
  480   2HH2  ARG  65          HH22      ARG  65   9.192 -10.901   9.921
  481    H    VAL  66           HN       VAL  66   2.061  -3.464   8.532
  482    HA   VAL  66           HA       VAL  66   1.278  -5.640   6.878
  483    HB   VAL  66           HB       VAL  66   0.647  -2.707   6.473
  484   1HG1  VAL  66          HG11      VAL  66  -0.808  -5.186   5.569
  485   2HG1  VAL  66          HG12      VAL  66   0.133  -4.100   4.543
  486   3HG1  VAL  66          HG13      VAL  66  -1.338  -3.524   5.324
  487   1HG2  VAL  66          HG21      VAL  66   0.015  -3.318   8.702
  488   2HG2  VAL  66          HG22      VAL  66  -0.777  -4.785   8.124
  489   3HG2  VAL  66          HG23      VAL  66  -1.439  -3.200   7.711
  490    H    ASN  67           HN       ASN  67   1.683  -6.005   4.686
  491    HA   ASN  67           HA       ASN  67   4.152  -4.869   3.713
  492   1HB   ASN  67          HB2       ASN  67   3.583  -7.292   3.417
  493   2HB   ASN  67          HB1       ASN  67   2.299  -6.813   2.313
  494   1HD2  ASN  67          HD21      ASN  67   5.402  -5.194   2.481
  495   2HD2  ASN  67          HD22      ASN  67   5.964  -5.712   0.933
  496    H    PHE  68           HN       PHE  68   3.487  -2.698   3.532
  497    HA   PHE  68           HA       PHE  68   1.380  -1.942   1.747
  498   1HB   PHE  68          HB2       PHE  68   3.593  -0.318   3.016
  499   2HB   PHE  68          HB1       PHE  68   2.281   0.367   2.064
  500    HD1  PHE  68           HD1      PHE  68  -0.113  -0.103   2.884
  501    HD2  PHE  68           HD2      PHE  68   3.355  -0.589   5.300
  502    HE1  PHE  68           HE1      PHE  68  -1.502   0.061   4.906
  503    HE2  PHE  68           HE2      PHE  68   1.972  -0.430   7.328
  504    HZ   PHE  68           HZ       PHE  68  -0.462  -0.103   7.133
  505    H    VAL  69           HN       VAL  69   1.636  -2.494  -0.313
  506    HA   VAL  69           HA       VAL  69   4.211  -1.895  -1.602
  507    HB   VAL  69           HB       VAL  69   3.440  -3.355  -3.451
  508   1HG1  VAL  69          HG11      VAL  69   3.409  -4.656  -0.730
  509   2HG1  VAL  69          HG12      VAL  69   4.839  -4.278  -1.689
  510   3HG1  VAL  69          HG13      VAL  69   3.688  -5.486  -2.262
  511   1HG2  VAL  69          HG21      VAL  69   1.486  -4.811  -3.111
  512   2HG2  VAL  69          HG22      VAL  69   1.037  -3.108  -3.187
  513   3HG2  VAL  69          HG23      VAL  69   1.100  -3.932  -1.630
  514    H    ILE  70           HN       ILE  70   4.219  -0.783  -3.615
  515    HA   ILE  70           HA       ILE  70   2.257   1.262  -3.875
  516    HB   ILE  70           HB       ILE  70   4.362   0.374  -5.864
  517   1HG1  ILE  70          HG12      ILE  70   4.362   2.601  -3.813
  518   2HG1  ILE  70          HG11      ILE  70   5.312   1.122  -3.729
  519   1HG2  ILE  70          HG21      ILE  70   2.735   2.912  -5.762
  520   2HG2  ILE  70          HG22      ILE  70   2.556   1.614  -6.940
  521   3HG2  ILE  70          HG23      ILE  70   4.037   2.569  -6.899
  522   1HD1  ILE  70          HD11      ILE  70   6.558   1.808  -5.706
  523   2HD1  ILE  70          HD12      ILE  70   6.662   3.020  -4.427
  524   3HD1  ILE  70          HD13      ILE  70   5.594   3.280  -5.806
  525    H    SER  71           HN       SER  71   0.355   1.183  -4.883
  526    HA   SER  71           HA       SER  71  -0.596  -1.339  -5.779
  527   1HB   SER  71          HB2       SER  71  -1.923   0.458  -4.551
  528   2HB   SER  71          HB1       SER  71  -2.016   1.309  -6.090
  529    HG   SER  71           HG       SER  71  -2.974  -1.310  -5.545
  530    H    ASP  72           HN       ASP  72   0.422  -2.011  -7.615
  531    HA   ASP  72           HA       ASP  72   0.502  -0.366  -9.983
  532   1HB   ASP  72          HB2       ASP  72   1.043  -3.327  -9.616
  533   2HB   ASP  72          HB1       ASP  72   1.298  -2.442 -11.113
  534    H    GLN  73           HN       GLN  73  -0.722  -0.724 -11.885
  535    HA   GLN  73           HA       GLN  73  -3.328  -1.933 -11.364
  536   1HB   GLN  73          HB2       GLN  73  -2.333  -0.247 -13.668
  537   2HB   GLN  73          HB1       GLN  73  -3.971  -0.873 -13.530
  538   1HG   GLN  73          HG2       GLN  73  -4.221   0.370 -11.405
  539   2HG   GLN  73          HG1       GLN  73  -2.623   1.065 -11.664
  540   1HE2  GLN  73          HE21      GLN  73  -2.344   2.608 -13.259
  541   2HE2  GLN  73          HE22      GLN  73  -3.676   3.429 -14.000
  542    H    LEU  74           HN       LEU  74  -0.471  -3.038 -12.311
  543    HA   LEU  74           HA       LEU  74  -1.320  -4.735 -14.496
  544   1HB   LEU  74          HB2       LEU  74   1.220  -4.779 -12.857
  545   2HB   LEU  74          HB1       LEU  74   0.925  -5.731 -14.300
  546    HG   LEU  74           HG       LEU  74   1.081  -2.715 -14.193
  547   1HD1  LEU  74          HD11      LEU  74   3.168  -3.012 -15.437
  548   2HD1  LEU  74          HD12      LEU  74   3.013  -4.761 -15.274
  549   3HD1  LEU  74          HD13      LEU  74   3.247  -3.760 -13.840
  550   1HD2  LEU  74          HD21      LEU  74   0.797  -4.590 -16.540
  551   2HD2  LEU  74          HD22      LEU  74   1.025  -2.844 -16.635
  552   3HD2  LEU  74          HD23      LEU  74  -0.449  -3.504 -15.925
  553    H    GLU  75           HN       GLU  75  -3.137  -5.561 -13.244
  554    HA   GLU  75           HA       GLU  75  -2.741  -7.178 -10.926
  555   1HB   GLU  75          HB2       GLU  75  -5.091  -7.248 -12.821
  556   2HB   GLU  75          HB1       GLU  75  -5.072  -7.709 -11.124
  557   1HG   GLU  75          HG2       GLU  75  -4.946  -5.483 -10.408
  558   2HG   GLU  75          HG1       GLU  75  -4.487  -4.905 -12.012
  559    H    HIS  76           HN       HIS  76  -3.664  -7.953 -14.262
  560    HA   HIS  76           HA       HIS  76  -3.174 -10.764 -13.827
  561   1HB   HIS  76          HB2       HIS  76  -4.033  -9.222 -16.283
  562   2HB   HIS  76          HB1       HIS  76  -3.835 -10.972 -16.239
  563    HD1  HIS  76           HD1      HIS  76  -6.096  -8.217 -15.097
  564    HD2  HIS  76           HD2      HIS  76  -5.841 -12.367 -14.845
  565    HE1  HIS  76           HE1      HIS  76  -8.331  -8.988 -14.241
  566    HE2  HIS  76           HE2      HIS  76  -8.213 -11.504 -14.257
  567    H    HIS  77           HN       HIS  77  -1.178 -11.425 -13.748
  568    HA   HIS  77           HA       HIS  77   0.962  -9.968 -15.022
  569   1HB   HIS  77          HB2       HIS  77   0.978 -11.075 -12.696
  570   2HB   HIS  77          HB1       HIS  77   1.214 -12.591 -13.556
  571    HD1  HIS  77           HD1      HIS  77   2.949  -9.403 -12.646
  572    HD2  HIS  77           HD2      HIS  77   3.762 -12.959 -14.648
  573    HE1  HIS  77           HE1      HIS  77   5.448  -9.459 -12.947
  574    HE2  HIS  77           HE2      HIS  77   5.903 -11.563 -14.263
  575    H    HIS  78           HN       HIS  78  -1.063 -12.571 -15.827
  576    HA   HIS  78           HA       HIS  78   0.752 -13.394 -17.999
  577   1HB   HIS  78          HB2       HIS  78   0.099 -15.268 -16.581
  578   2HB   HIS  78          HB1       HIS  78  -1.601 -14.853 -16.761
  579    HD1  HIS  78           HD1      HIS  78   1.213 -16.605 -18.462
  580    HD2  HIS  78           HD2      HIS  78  -2.740 -15.565 -19.259
  581    HE1  HIS  78           HE1      HIS  78   0.549 -17.943 -20.489
  582    HE2  HIS  78           HE2      HIS  78  -1.820 -17.244 -21.004
  583    H    HIS  79           HN       HIS  79   0.195 -12.912 -20.050
  584    HA   HIS  79           HA       HIS  79  -2.565 -11.982 -20.503
  585   1HB   HIS  79          HB2       HIS  79   0.031 -10.955 -21.629
  586   2HB   HIS  79          HB1       HIS  79  -1.507 -10.647 -22.425
  587    HD1  HIS  79           HD1      HIS  79   0.703  -9.327 -19.867
  588    HD2  HIS  79           HD2      HIS  79  -3.367  -9.173 -20.710
  589    HE1  HIS  79           HE1      HIS  79  -0.194  -7.388 -18.540
  590    HE2  HIS  79           HE2      HIS  79  -2.585  -7.152 -19.298
  591    H    HIS  80           HN       HIS  80   0.127 -12.797 -22.685
  592    HA   HIS  80           HA       HIS  80  -1.287 -15.083 -23.739
  593   1HB   HIS  80          HB2       HIS  80  -2.413 -13.108 -24.809
  594   2HB   HIS  80          HB1       HIS  80  -0.862 -12.663 -25.510
  595    HD1  HIS  80           HD1      HIS  80   0.091 -14.291 -27.384
  596    HD2  HIS  80           HD2      HIS  80  -3.808 -15.061 -26.146
  597    HE1  HIS  80           HE1      HIS  80  -0.900 -15.787 -29.144
  598    HE2  HIS  80           HE2      HIS  80  -3.301 -16.122 -28.452
  599    H    HIS  81           HN       HIS  81   0.121 -16.477 -24.728
  600    HA   HIS  81           HA       HIS  81   2.874 -15.532 -25.104
  601   1HB   HIS  81          HB2       HIS  81   2.464 -17.617 -23.753
  602   2HB   HIS  81          HB1       HIS  81   1.833 -18.377 -25.208
  603    HD1  HIS  81           HD1      HIS  81   4.974 -17.585 -23.441
  604    HD2  HIS  81           HD2      HIS  81   3.830 -18.870 -27.228
  605    HE1  HIS  81           HE1      HIS  81   7.069 -18.455 -24.525
  606    HE2  HIS  81           HE2      HIS  81   6.328 -19.361 -26.758
  Start of MODEL    7
    1   1H    MET   1          HT1       MET   1  10.765   0.042   8.335
    2   2H    MET   1          HT2       MET   1  12.402  -0.330   8.547
    3   3H    MET   1          HT3       MET   1  11.624  -0.740   7.100
    4    HA   MET   1           HA       MET   1  12.283   1.962   8.104
    5   1HB   MET   1          HB2       MET   1  13.082   0.461   5.599
    6   2HB   MET   1          HB1       MET   1  13.503   2.132   5.947
    7   1HG   MET   1          HG2       MET   1  14.745   1.382   7.933
    8   2HG   MET   1          HG1       MET   1  14.361  -0.288   7.517
    9   1HE   MET   1          HE1       MET   1  14.578  -0.159   4.306
   10   2HE   MET   1          HE2       MET   1  15.205  -1.482   5.289
   11   3HE   MET   1          HE3       MET   1  16.242  -0.707   4.092
   12    H    GLU   2           HN       GLU   2  11.958   3.511   6.067
   13    HA   GLU   2           HA       GLU   2   9.086   3.378   5.571
   14   1HB   GLU   2          HB2       GLU   2  10.330   5.399   6.591
   15   2HB   GLU   2          HB1       GLU   2  10.887   5.712   4.953
   16   1HG   GLU   2          HG2       GLU   2   8.909   7.035   5.572
   17   2HG   GLU   2          HG1       GLU   2   8.626   5.984   4.183
   18    H    ILE   3           HN       ILE   3   8.246   4.001   3.456
   19    HA   ILE   3           HA       ILE   3   9.555   2.594   1.345
   20    HB   ILE   3           HB       ILE   3   7.142   4.427   1.191
   21   1HG1  ILE   3          HG12      ILE   3   5.981   2.102   0.957
   22   2HG1  ILE   3          HG11      ILE   3   7.436   1.479   1.723
   23   1HG2  ILE   3          HG21      ILE   3   6.648   3.285  -0.917
   24   2HG2  ILE   3          HG22      ILE   3   8.146   2.368  -0.771
   25   3HG2  ILE   3          HG23      ILE   3   8.202   4.118  -0.983
   26   1HD1  ILE   3          HD11      ILE   3   7.019   2.945   3.649
   27   2HD1  ILE   3          HD12      ILE   3   5.698   1.814   3.357
   28   3HD1  ILE   3          HD13      ILE   3   5.534   3.503   2.880
   29    H    THR   4           HN       THR   4  10.589   3.401  -0.468
   30    HA   THR   4           HA       THR   4  11.189   6.279  -0.432
   31    HB   THR   4           HB       THR   4  13.412   5.501  -1.535
   32    HG1  THR   4           HG1      THR   4  13.151   3.208   0.056
   33   1HG2  THR   4          HG21      THR   4  13.263   6.586   0.657
   34   2HG2  THR   4          HG22      THR   4  14.477   5.307   0.658
   35   3HG2  THR   4          HG23      THR   4  12.904   5.028   1.405
   36    H    CYS   5           HN       CYS   5  11.038   7.364  -2.310
   37    HA   CYS   5           HA       CYS   5   9.586   6.288  -4.469
   38   1HB   CYS   5          HB2       CYS   5   9.531   8.669  -3.845
   39   2HB   CYS   5          HB1       CYS   5  11.219   8.834  -4.303
   40    HA   PRO   6           HA       PRO   6  12.662   4.199  -6.860
   41   1HB   PRO   6          HB2       PRO   6  11.178   5.255  -9.209
   42   2HB   PRO   6          HB1       PRO   6  11.599   3.590  -8.794
   43   1HG   PRO   6          HG2       PRO   6   9.105   4.464  -8.509
   44   2HG   PRO   6          HG1       PRO   6   9.829   3.369  -7.315
   45   1HD   PRO   6          HD2       PRO   6   9.367   6.319  -7.149
   46   2HD   PRO   6          HD1       PRO   6   9.197   5.079  -5.890
   47    H    VAL   7           HN       VAL   7  11.835   7.524  -7.663
   48    HA   VAL   7           HA       VAL   7  14.278   7.880  -9.200
   49    HB   VAL   7           HB       VAL   7  12.171   9.922  -8.451
   50   1HG1  VAL   7          HG11      VAL   7  13.153  11.278 -10.237
   51   2HG1  VAL   7          HG12      VAL   7  14.397  10.054 -10.482
   52   3HG1  VAL   7          HG13      VAL   7  14.323  10.943  -8.961
   53   1HG2  VAL   7          HG21      VAL   7  12.542   8.371 -11.013
   54   2HG2  VAL   7          HG22      VAL   7  11.363   9.657 -10.749
   55   3HG2  VAL   7          HG23      VAL   7  11.241   8.148  -9.842
   56    H    CYS   8           HN       CYS   8  12.763   9.367  -6.363
   57    HA   CYS   8           HA       CYS   8  15.426  10.120  -5.388
   58   1HB   CYS   8          HB2       CYS   8  13.780  11.494  -3.760
   59   2HB   CYS   8          HB1       CYS   8  14.288  12.116  -5.331
   60    H    HIS   9           HN       HIS   9  15.808   7.951  -4.642
   61    HA   HIS   9           HA       HIS   9  14.268   6.843  -2.517
   62   1HB   HIS   9          HB2       HIS   9  17.115   6.343  -3.401
   63   2HB   HIS   9          HB1       HIS   9  16.364   5.482  -2.063
   64    HD1  HIS   9           HD1      HIS   9  16.894   5.274  -5.619
   65    HD2  HIS   9           HD2      HIS   9  13.961   3.996  -2.960
   66    HE1  HIS   9           HE1      HIS   9  15.614   3.471  -6.829
   67    HE2  HIS   9           HE2      HIS   9  13.783   2.785  -5.236
   68    H    HIS  10           HN       HIS  10  13.953   8.750  -1.314
   69    HA   HIS  10           HA       HIS  10  16.222   9.510   0.396
   70   1HB   HIS  10          HB2       HIS  10  15.439  11.224  -1.332
   71   2HB   HIS  10          HB1       HIS  10  13.949  11.328  -0.410
   72    HD1  HIS  10           HD1      HIS  10  13.946  12.831   1.622
   73    HD2  HIS  10           HD2      HIS  10  17.739  12.227   0.023
   74    HE1  HIS  10           HE1      HIS  10  15.451  14.470   2.795
   75    HE2  HIS  10           HE2      HIS  10  17.717  14.171   1.728
   76    H    ALA  11           HN       ALA  11  12.775  10.179   0.330
   77    HA   ALA  11           HA       ALA  11  12.002   8.386   2.345
   78   1HB   ALA  11          HB1       ALA  11  13.274   9.865   3.828
   79   2HB   ALA  11          HB2       ALA  11  11.547   9.946   4.179
   80   3HB   ALA  11          HB3       ALA  11  12.325  11.245   3.274
   81    H    LEU  12           HN       LEU  12   9.781   8.278   2.435
   82    HA   LEU  12           HA       LEU  12   8.332  10.284   0.847
   83   1HB   LEU  12          HB2       LEU  12   7.861   7.345   1.250
   84   2HB   LEU  12          HB1       LEU  12   6.580   8.406   0.698
   85    HG   LEU  12           HG       LEU  12   9.217   8.047  -0.723
   86   1HD1  LEU  12          HD11      LEU  12   6.507   6.874  -1.336
   87   2HD1  LEU  12          HD12      LEU  12   7.923   5.983  -0.778
   88   3HD1  LEU  12          HD13      LEU  12   7.936   6.757  -2.362
   89   1HD2  LEU  12          HD21      LEU  12   6.661   9.409  -1.543
   90   2HD2  LEU  12          HD22      LEU  12   8.089   9.192  -2.558
   91   3HD2  LEU  12          HD23      LEU  12   8.177  10.206  -1.117
   92    H    GLU  13           HN       GLU  13   6.419  11.107   1.597
   93    HA   GLU  13           HA       GLU  13   6.080  11.025   4.479
   94   1HB   GLU  13          HB2       GLU  13   4.612  12.618   2.366
   95   2HB   GLU  13          HB1       GLU  13   4.496  12.859   4.104
   96   1HG   GLU  13          HG2       GLU  13   6.595  13.802   4.248
   97   2HG   GLU  13          HG1       GLU  13   7.150  13.048   2.753
   98    H    ARG  14           HN       ARG  14   5.268   8.914   4.752
   99    HA   ARG  14           HA       ARG  14   2.827   8.180   3.385
  100   1HB   ARG  14          HB2       ARG  14   4.479   6.438   3.813
  101   2HB   ARG  14          HB1       ARG  14   4.391   6.750   5.542
  102   1HG   ARG  14          HG2       ARG  14   2.133   5.947   5.635
  103   2HG   ARG  14          HG1       ARG  14   2.069   5.800   3.878
  104   1HD   ARG  14          HD2       ARG  14   2.404   3.636   5.042
  105   2HD   ARG  14          HD1       ARG  14   3.697   4.033   3.912
  106    HE   ARG  14           HE       ARG  14   5.115   4.544   5.772
  107   1HH1  ARG  14          HH11      ARG  14   2.062   3.021   6.619
  108   2HH1  ARG  14          HH12      ARG  14   2.625   2.453   8.155
  109   1HH2  ARG  14          HH21      ARG  14   5.841   3.810   7.798
  110   2HH2  ARG  14          HH22      ARG  14   4.766   2.937   8.846
  111    H    ASN  15           HN       ASN  15   1.090   9.251   4.004
  112    HA   ASN  15           HA       ASN  15   0.662   9.971   6.790
  113   1HB   ASN  15          HB2       ASN  15  -0.890  10.518   4.252
  114   2HB   ASN  15          HB1       ASN  15  -1.461  11.009   5.842
  115   1HD2  ASN  15          HD21      ASN  15  -0.447  12.687   6.908
  116   2HD2  ASN  15          HD22      ASN  15   0.677  13.746   6.120
  117    H    GLY  16           HN       GLY  16   0.662   7.163   5.851
  118   1HA   GLY  16          HA2       GLY  16  -0.673   5.564   7.205
  119   2HA   GLY  16          HA1       GLY  16  -2.090   6.423   6.613
  120    H    ASP  17           HN       ASP  17  -2.884   5.993   4.602
  121    HA   ASP  17           HA       ASP  17  -1.668   3.681   3.244
  122   1HB   ASP  17          HB2       ASP  17  -4.502   4.746   3.181
  123   2HB   ASP  17          HB1       ASP  17  -3.928   3.396   2.205
  124    H    THR  18           HN       THR  18  -1.252   6.748   3.025
  125    HA   THR  18           HA       THR  18  -1.025   6.708   0.108
  126    HB   THR  18           HB       THR  18  -2.080   9.123   1.595
  127    HG1  THR  18           HG1      THR  18  -3.362   6.882   0.598
  128   1HG2  THR  18          HG21      THR  18  -2.636   9.927  -0.660
  129   2HG2  THR  18          HG22      THR  18  -1.912   8.477  -1.353
  130   3HG2  THR  18          HG23      THR  18  -0.906   9.639  -0.487
  131    H    ALA  19           HN       ALA  19   0.897   7.534  -0.594
  132    HA   ALA  19           HA       ALA  19   2.621   8.787   1.452
  133   1HB   ALA  19          HB1       ALA  19   3.364   6.540   0.811
  134   2HB   ALA  19          HB2       ALA  19   4.531   7.773   0.333
  135   3HB   ALA  19          HB3       ALA  19   3.461   7.056  -0.873
  136    H    HIS  20           HN       HIS  20   3.264  10.790   1.058
  137    HA   HIS  20           HA       HIS  20   2.937  11.870  -1.656
  138   1HB   HIS  20          HB2       HIS  20   1.717  13.097   0.034
  139   2HB   HIS  20          HB1       HIS  20   3.153  13.234   1.038
  140    HD1  HIS  20           HD1      HIS  20   1.482  14.738  -1.965
  141    HD2  HIS  20           HD2      HIS  20   4.947  15.258   0.288
  142    HE1  HIS  20           HE1      HIS  20   2.456  16.939  -2.699
  143    HE2  HIS  20           HE2      HIS  20   4.462  17.307  -1.210
  144    H    CYS  21           HN       CYS  21   4.614  12.734  -2.782
  145    HA   CYS  21           HA       CYS  21   7.279  12.594  -1.524
  146   1HB   CYS  21          HB2       CYS  21   6.570  11.193  -3.660
  147   2HB   CYS  21          HB1       CYS  21   6.892  12.714  -4.495
  148    H    GLU  22           HN       GLU  22   7.869  14.649  -0.903
  149    HA   GLU  22           HA       GLU  22   7.024  16.992  -2.260
  150   1HB   GLU  22          HB2       GLU  22   8.966  16.386  -0.103
  151   2HB   GLU  22          HB1       GLU  22   9.204  17.890  -0.984
  152   1HG   GLU  22          HG2       GLU  22   6.709  17.046   0.473
  153   2HG   GLU  22          HG1       GLU  22   7.867  18.273   0.988
  154    H    THR  23           HN       THR  23  10.113  15.188  -2.327
  155    HA   THR  23           HA       THR  23  11.192  16.547  -4.571
  156    HB   THR  23           HB       THR  23  12.475  14.399  -4.876
  157    HG1  THR  23           HG1      THR  23  11.321  13.453  -2.467
  158   1HG2  THR  23          HG21      THR  23  13.350  16.103  -3.345
  159   2HG2  THR  23          HG22      THR  23  13.684  14.484  -2.726
  160   3HG2  THR  23          HG23      THR  23  12.373  15.439  -2.033
  161    H    CYS  24           HN       CYS  24  10.321  16.527  -6.627
  162    HA   CYS  24           HA       CYS  24   8.752  16.183  -8.222
  163   1HB   CYS  24          HB2       CYS  24   8.657  13.991  -9.240
  164   2HB   CYS  24          HB1       CYS  24  10.311  14.350  -8.783
  165    H    ALA  25           HN       ALA  25   6.929  16.954  -7.414
  166    HA   ALA  25           HA       ALA  25   5.393  15.956  -5.343
  167   1HB   ALA  25          HB1       ALA  25   3.634  17.430  -6.106
  168   2HB   ALA  25          HB2       ALA  25   4.410  17.580  -7.682
  169   3HB   ALA  25          HB3       ALA  25   5.200  18.230  -6.244
  170    H    LYS  26           HN       LYS  26   5.016  13.810  -5.449
  171    HA   LYS  26           HA       LYS  26   2.859  12.976  -7.237
  172   1HB   LYS  26          HB2       LYS  26   5.366  11.347  -6.727
  173   2HB   LYS  26          HB1       LYS  26   3.953  10.793  -7.614
  174   1HG   LYS  26          HG2       LYS  26   4.352  12.474  -9.327
  175   2HG   LYS  26          HG1       LYS  26   5.746  13.072  -8.427
  176   1HD   LYS  26          HD2       LYS  26   6.463  11.621 -10.242
  177   2HD   LYS  26          HD1       LYS  26   6.831  10.882  -8.683
  178   1HE   LYS  26          HE2       LYS  26   4.943   9.418  -8.865
  179   2HE   LYS  26          HE1       LYS  26   4.381  10.247 -10.316
  180   1HZ   LYS  26          HZ1       LYS  26   6.935   8.740 -10.102
  181   2HZ   LYS  26          HZ2       LYS  26   6.325   9.478 -11.496
  182   3HZ   LYS  26          HZ3       LYS  26   5.515   8.153 -10.814
  183    H    ASP  27           HN       ASP  27   1.288  11.992  -6.102
  184    HA   ASP  27           HA       ASP  27   1.989  10.913  -3.463
  185   1HB   ASP  27          HB2       ASP  27  -0.381  11.175  -2.859
  186   2HB   ASP  27          HB1       ASP  27   0.347  12.708  -3.317
  187    H    PHE  28           HN       PHE  28   1.777   8.828  -3.095
  188    HA   PHE  28           HA       PHE  28   0.760   7.188  -5.311
  189   1HB   PHE  28          HB2       PHE  28   2.720   6.438  -3.132
  190   2HB   PHE  28          HB1       PHE  28   2.252   5.432  -4.498
  191    HD1  PHE  28           HD2      PHE  28   2.909   6.125  -6.805
  192    HD2  PHE  28           HD1      PHE  28   4.409   8.066  -3.330
  193    HE1  PHE  28           HE2      PHE  28   4.748   7.076  -8.136
  194    HE2  PHE  28           HE1      PHE  28   6.247   9.026  -4.652
  195    HZ   PHE  28           HZ       PHE  28   6.420   8.530  -7.057
  196    H    SER  29           HN       SER  29  -0.983   5.991  -4.999
  197    HA   SER  29           HA       SER  29  -2.199   5.771  -2.402
  198   1HB   SER  29          HB2       SER  29  -3.534   5.992  -4.509
  199   2HB   SER  29          HB1       SER  29  -2.969   4.394  -4.992
  200    HG   SER  29           HG       SER  29  -4.020   3.528  -3.186
  201    H    LEU  30           HN       LEU  30  -1.810   4.209  -0.974
  202    HA   LEU  30           HA       LEU  30  -0.080   2.011  -1.841
  203   1HB   LEU  30          HB2       LEU  30  -0.666   3.042   0.936
  204   2HB   LEU  30          HB1       LEU  30   0.463   1.761   0.541
  205    HG   LEU  30           HG       LEU  30   0.731   4.639  -0.336
  206   1HD1  LEU  30          HD11      LEU  30   2.582   4.735   1.252
  207   2HD1  LEU  30          HD12      LEU  30   2.217   3.091   1.780
  208   3HD1  LEU  30          HD13      LEU  30   1.055   4.388   2.065
  209   1HD2  LEU  30          HD21      LEU  30   2.973   3.973  -1.050
  210   2HD2  LEU  30          HD22      LEU  30   1.727   3.078  -1.921
  211   3HD2  LEU  30          HD23      LEU  30   2.617   2.303  -0.612
  212    H    GLN  31           HN       GLN  31  -0.631  -0.081  -1.596
  213    HA   GLN  31           HA       GLN  31  -3.316  -0.620  -0.520
  214   1HB   GLN  31          HB2       GLN  31  -3.102  -1.147  -2.904
  215   2HB   GLN  31          HB1       GLN  31  -1.714  -2.171  -2.567
  216   1HG   GLN  31          HG2       GLN  31  -3.089  -3.720  -1.345
  217   2HG   GLN  31          HG1       GLN  31  -4.484  -2.655  -1.501
  218   1HE2  GLN  31          HE21      GLN  31  -5.696  -4.229  -2.520
  219   2HE2  GLN  31          HE22      GLN  31  -5.407  -4.716  -4.154
  220    H    ALA  32           HN       ALA  32  -3.425  -1.738   1.281
  221    HA   ALA  32           HA       ALA  32  -1.120  -2.671   2.634
  222   1HB   ALA  32          HB1       ALA  32  -2.704  -3.455   4.329
  223   2HB   ALA  32          HB2       ALA  32  -4.039  -3.152   3.218
  224   3HB   ALA  32          HB3       ALA  32  -3.068  -1.808   3.816
  225    H    LEU  33           HN       LEU  33  -0.033  -4.439   2.086
  226    HA   LEU  33           HA       LEU  33  -1.553  -6.809   1.220
  227   1HB   LEU  33          HB2       LEU  33   0.329  -5.362  -0.251
  228   2HB   LEU  33          HB1       LEU  33   1.212  -6.761   0.329
  229    HG   LEU  33           HG       LEU  33  -0.481  -8.240  -0.690
  230   1HD1  LEU  33          HD11      LEU  33  -1.622  -5.672  -1.793
  231   2HD1  LEU  33          HD12      LEU  33  -2.393  -6.725  -0.605
  232   3HD1  LEU  33          HD13      LEU  33  -2.115  -7.305  -2.247
  233   1HD2  LEU  33          HD21      LEU  33   0.164  -7.831  -3.014
  234   2HD2  LEU  33          HD22      LEU  33   1.538  -7.660  -1.922
  235   3HD2  LEU  33          HD23      LEU  33   0.744  -6.225  -2.572
  236    H    CYS  34           HN       CYS  34  -0.651  -8.844   1.799
  237    HA   CYS  34           HA       CYS  34   0.986  -8.767   4.222
  238   1HB   CYS  34          HB2       CYS  34  -0.881 -10.767   3.012
  239   2HB   CYS  34          HB1       CYS  34   0.387 -11.336   4.087
  240    HA   PRO  35           HA       PRO  35   4.512 -10.519   2.005
  241   1HB   PRO  35          HB2       PRO  35   5.331 -11.476   4.667
  242   2HB   PRO  35          HB1       PRO  35   6.174 -10.385   3.564
  243   1HG   PRO  35          HG2       PRO  35   5.068  -9.499   5.845
  244   2HG   PRO  35          HG1       PRO  35   5.088  -8.514   4.370
  245   1HD   PRO  35          HD2       PRO  35   2.851 -10.136   5.536
  246   2HD   PRO  35          HD1       PRO  35   2.805  -8.510   4.818
  247    H    ASP  36           HN       ASP  36   2.471 -12.070   4.347
  248    HA   ASP  36           HA       ASP  36   3.123 -14.764   3.601
  249   1HB   ASP  36          HB2       ASP  36   1.017 -15.250   4.993
  250   2HB   ASP  36          HB1       ASP  36   2.376 -14.507   5.830
  251    H    CYS  37           HN       CYS  37  -0.196 -13.573   3.659
  252    HA   CYS  37           HA       CYS  37  -0.713 -14.792   1.091
  253   1HB   CYS  37          HB2       CYS  37  -3.081 -13.969   1.562
  254   2HB   CYS  37          HB1       CYS  37  -2.428 -15.155   2.684
  255    H    ARG  38           HN       ARG  38   0.112 -13.654  -0.562
  256    HA   ARG  38           HA       ARG  38   0.050 -10.755  -0.541
  257   1HB   ARG  38          HB2       ARG  38   2.045 -11.898  -1.359
  258   2HB   ARG  38          HB1       ARG  38   1.101 -12.701  -2.605
  259   1HG   ARG  38          HG2       ARG  38   0.672 -10.570  -3.682
  260   2HG   ARG  38          HG1       ARG  38   1.544  -9.728  -2.398
  261   1HD   ARG  38          HD2       ARG  38   3.593 -10.865  -3.004
  262   2HD   ARG  38          HD1       ARG  38   2.742 -11.805  -4.228
  263    HE   ARG  38           HE       ARG  38   2.253  -9.283  -5.026
  264   1HH1  ARG  38          HH11      ARG  38   5.229 -10.906  -4.112
  265   2HH1  ARG  38          HH12      ARG  38   6.219  -9.939  -5.154
  266   1HH2  ARG  38          HH21      ARG  38   3.565  -8.037  -6.413
  267   2HH2  ARG  38          HH22      ARG  38   5.283  -8.310  -6.446
  268    H    GLN  39           HN       GLN  39  -2.306 -10.829  -0.429
  269    HA   GLN  39           HA       GLN  39  -3.464 -10.531  -3.091
  270   1HB   GLN  39          HB2       GLN  39  -4.683 -12.226  -0.888
  271   2HB   GLN  39          HB1       GLN  39  -5.530 -11.741  -2.349
  272   1HG   GLN  39          HG2       GLN  39  -3.788 -12.938  -3.667
  273   2HG   GLN  39          HG1       GLN  39  -3.121 -13.529  -2.149
  274   1HE2  GLN  39          HE21      GLN  39  -5.819 -13.774  -0.967
  275   2HE2  GLN  39          HE22      GLN  39  -6.492 -15.200  -1.667
  276    HA   PRO  40           HA       PRO  40  -5.510  -6.977  -1.381
  277   1HB   PRO  40          HB2       PRO  40  -8.230  -8.086  -1.767
  278   2HB   PRO  40          HB1       PRO  40  -7.511  -6.610  -2.416
  279   1HG   PRO  40          HG2       PRO  40  -7.915  -8.726  -3.980
  280   2HG   PRO  40          HG1       PRO  40  -6.458  -7.730  -4.157
  281   1HD   PRO  40          HD2       PRO  40  -6.787 -10.390  -2.825
  282   2HD   PRO  40          HD1       PRO  40  -5.472  -9.809  -3.867
  283    H    LEU  41           HN       LEU  41  -5.801  -9.864   0.183
  284    HA   LEU  41           HA       LEU  41  -6.183 -10.477   2.321
  285   1HB   LEU  41          HB2       LEU  41  -6.293  -7.507   2.873
  286   2HB   LEU  41          HB1       LEU  41  -6.101  -8.768   4.075
  287    HG   LEU  41           HG       LEU  41  -4.125  -7.964   1.943
  288   1HD1  LEU  41          HD11      LEU  41  -4.174  -6.490   3.869
  289   2HD1  LEU  41          HD12      LEU  41  -2.690  -7.445   3.861
  290   3HD1  LEU  41          HD13      LEU  41  -4.008  -7.872   4.953
  291   1HD2  LEU  41          HD21      LEU  41  -4.137 -10.393   2.188
  292   2HD2  LEU  41          HD22      LEU  41  -3.932 -10.219   3.931
  293   3HD2  LEU  41          HD23      LEU  41  -2.657  -9.685   2.835
  294    H    GLN  42           HN       GLN  42  -8.108  -7.570   2.753
  295    HA   GLN  42           HA       GLN  42 -10.604  -8.791   2.157
  296   1HB   GLN  42          HB2       GLN  42 -10.126  -9.929   4.293
  297   2HB   GLN  42          HB1       GLN  42  -9.922  -8.369   5.077
  298   1HG   GLN  42          HG2       GLN  42 -12.243  -7.833   4.698
  299   2HG   GLN  42          HG1       GLN  42 -12.468  -9.329   3.792
  300   1HE2  GLN  42          HE21      GLN  42 -12.012  -7.923   6.939
  301   2HE2  GLN  42          HE22      GLN  42 -12.481  -9.318   7.847
  302    H    VAL  43           HN       VAL  43 -11.780  -7.155   1.441
  303    HA   VAL  43           HA       VAL  43 -10.934  -4.463   1.779
  304    HB   VAL  43           HB       VAL  43 -13.564  -5.435   0.646
  305   1HG1  VAL  43          HG11      VAL  43 -13.548  -3.322  -0.586
  306   2HG1  VAL  43          HG12      VAL  43 -12.053  -2.858   0.231
  307   3HG1  VAL  43          HG13      VAL  43 -13.540  -3.057   1.158
  308   1HG2  VAL  43          HG21      VAL  43 -10.941  -4.954  -0.766
  309   2HG2  VAL  43          HG22      VAL  43 -12.478  -5.327  -1.548
  310   3HG2  VAL  43          HG23      VAL  43 -11.710  -6.519  -0.499
  311    H    LEU  44           HN       LEU  44 -11.300  -3.237   3.475
  312    HA   LEU  44           HA       LEU  44 -13.845  -3.547   4.935
  313   1HB   LEU  44          HB2       LEU  44 -11.145  -2.765   6.047
  314   2HB   LEU  44          HB1       LEU  44 -12.643  -2.759   6.955
  315    HG   LEU  44           HG       LEU  44 -11.311  -5.210   5.787
  316   1HD1  LEU  44          HD11      LEU  44 -11.548  -4.244   8.635
  317   2HD1  LEU  44          HD12      LEU  44 -10.077  -4.268   7.666
  318   3HD1  LEU  44          HD13      LEU  44 -10.858  -5.783   8.120
  319   1HD2  LEU  44          HD21      LEU  44 -12.986  -6.442   7.096
  320   2HD2  LEU  44          HD22      LEU  44 -13.729  -5.444   5.846
  321   3HD2  LEU  44          HD23      LEU  44 -13.759  -4.918   7.529
  322    H    LYS  45           HN       LYS  45 -14.992  -1.690   5.314
  323    HA   LYS  45           HA       LYS  45 -13.886   0.754   4.148
  324   1HB   LYS  45          HB2       LYS  45 -16.711   0.216   5.092
  325   2HB   LYS  45          HB1       LYS  45 -16.158   1.624   4.192
  326   1HG   LYS  45          HG2       LYS  45 -15.469   0.020   2.363
  327   2HG   LYS  45          HG1       LYS  45 -16.373  -1.214   3.238
  328   1HD   LYS  45          HD2       LYS  45 -17.805  -0.324   1.552
  329   2HD   LYS  45          HD1       LYS  45 -18.374   0.285   3.108
  330   1HE   LYS  45          HE2       LYS  45 -17.328   2.414   2.720
  331   2HE   LYS  45          HE1       LYS  45 -16.556   1.815   1.250
  332   1HZ   LYS  45          HZ1       LYS  45 -18.520   3.159   0.770
  333   2HZ   LYS  45          HZ2       LYS  45 -19.487   2.085   1.660
  334   3HZ   LYS  45          HZ3       LYS  45 -18.722   1.559   0.240
  335    H    ALA  46           HN       ALA  46 -13.926   2.730   5.301
  336    HA   ALA  46           HA       ALA  46 -13.421   4.044   7.080
  337   1HB   ALA  46          HB1       ALA  46 -14.582   1.867   8.820
  338   2HB   ALA  46          HB2       ALA  46 -15.470   3.246   8.176
  339   3HB   ALA  46          HB3       ALA  46 -14.163   3.502   9.333
  340    H    CYS  47           HN       CYS  47 -12.441   2.942   9.689
  341    HA   CYS  47           HA       CYS  47 -10.441   2.360  10.607
  342   1HB   CYS  47          HB2       CYS  47 -10.672   0.168   9.607
  343   2HB   CYS  47          HB1       CYS  47 -10.134   0.772   8.045
  344    HG   CYS  47           HG       CYS  47  -7.803  -0.210   8.467
  345    H    GLY  48           HN       GLY  48  -9.789   2.739   7.136
  346   1HA   GLY  48          HA2       GLY  48  -8.262   5.188   7.773
  347   2HA   GLY  48          HA1       GLY  48  -7.723   4.049   6.539
  348    H    ALA  49           HN       ALA  49  -9.975   3.385   5.272
  349    HA   ALA  49           HA       ALA  49 -11.854   5.319   4.628
  350   1HB   ALA  49          HB1       ALA  49 -11.059   6.089   2.420
  351   2HB   ALA  49          HB2       ALA  49  -9.501   5.321   2.727
  352   3HB   ALA  49          HB3       ALA  49 -10.031   6.668   3.730
  353    H    VAL  50           HN       VAL  50  -9.959   3.623   2.214
  354    HA   VAL  50           HA       VAL  50 -11.894   1.403   2.222
  355    HB   VAL  50           HB       VAL  50 -10.311   2.397  -0.168
  356   1HG1  VAL  50          HG11      VAL  50 -10.708   0.004  -0.241
  357   2HG1  VAL  50          HG12      VAL  50 -11.698   0.824  -1.448
  358   3HG1  VAL  50          HG13      VAL  50 -12.428   0.260   0.055
  359   1HG2  VAL  50          HG21      VAL  50 -12.472   3.117  -1.085
  360   2HG2  VAL  50          HG22      VAL  50 -12.068   3.983   0.398
  361   3HG2  VAL  50          HG23      VAL  50 -13.256   2.677   0.432
  362    H    ASP  51           HN       ASP  51 -10.845  -0.123   3.373
  363    HA   ASP  51           HA       ASP  51  -7.911  -0.133   3.232
  364   1HB   ASP  51          HB2       ASP  51  -9.265   0.344   5.403
  365   2HB   ASP  51          HB1       ASP  51  -9.522  -1.397   5.428
  366    H    TYR  52           HN       TYR  52  -6.801  -2.123   3.467
  367    HA   TYR  52           HA       TYR  52  -8.300  -4.536   2.687
  368   1HB   TYR  52          HB2       TYR  52  -5.568  -3.668   1.694
  369   2HB   TYR  52          HB1       TYR  52  -6.271  -5.255   1.408
  370    HD1  TYR  52           HD2      TYR  52  -8.410  -5.394   0.055
  371    HD2  TYR  52           HD1      TYR  52  -6.067  -1.852   0.281
  372    HE1  TYR  52           HE2      TYR  52  -9.493  -4.558  -1.987
  373    HE2  TYR  52           HE1      TYR  52  -7.143  -1.004  -1.763
  374    HH   TYR  52           HH       TYR  52  -9.951  -2.386  -3.087
  375    H    PHE  53           HN       PHE  53  -8.339  -5.561   4.620
  376    HA   PHE  53           HA       PHE  53  -5.863  -5.907   6.144
  377   1HB   PHE  53          HB2       PHE  53  -6.897  -3.659   6.679
  378   2HB   PHE  53          HB1       PHE  53  -8.302  -4.513   7.282
  379    HD1  PHE  53           HD2      PHE  53  -4.760  -3.675   7.919
  380    HD2  PHE  53           HD1      PHE  53  -8.285  -5.575   9.405
  381    HE1  PHE  53           HE2      PHE  53  -3.799  -3.722  10.170
  382    HE2  PHE  53           HE1      PHE  53  -7.314  -5.605  11.661
  383    HZ   PHE  53           HZ       PHE  53  -5.068  -4.679  12.044
  384    H    CYS  54           HN       CYS  54  -5.946  -8.111   6.390
  385    HA   CYS  54           HA       CYS  54  -8.542  -9.393   6.596
  386   1HB   CYS  54          HB2       CYS  54  -7.192 -11.511   6.384
  387   2HB   CYS  54          HB1       CYS  54  -7.083 -10.415   5.015
  388    H    GLN  55           HN       GLN  55  -9.152  -8.815   8.682
  389    HA   GLN  55           HA       GLN  55  -7.598  -9.262  10.996
  390   1HB   GLN  55          HB2       GLN  55  -9.638  -7.819  10.893
  391   2HB   GLN  55          HB1       GLN  55 -10.614  -9.275  10.764
  392   1HG   GLN  55          HG2       GLN  55  -9.615  -9.994  12.966
  393   2HG   GLN  55          HG1       GLN  55  -8.960  -8.362  13.097
  394   1HE2  GLN  55          HE21      GLN  55 -11.794 -10.330  13.181
  395   2HE2  GLN  55          HE22      GLN  55 -12.876  -9.115  13.793
  396    H    ASN  56           HN       ASN  56 -10.021 -11.194   9.328
  397    HA   ASN  56           HA       ASN  56  -9.204 -13.533  10.907
  398   1HB   ASN  56          HB2       ASN  56 -11.358 -14.529  10.322
  399   2HB   ASN  56          HB1       ASN  56 -11.605 -12.962  11.084
  400   1HD2  ASN  56          HD21      ASN  56 -12.091 -14.871   8.298
  401   2HD2  ASN  56          HD22      ASN  56 -12.924 -13.687   7.349
  402    H    GLY  57           HN       GLY  57  -9.556 -15.636   9.509
  403   1HA   GLY  57          HA2       GLY  57  -9.021 -16.822   7.567
  404   2HA   GLY  57          HA1       GLY  57  -8.791 -15.294   6.722
  405    H    HIS  58           HN       HIS  58  -6.883 -13.985   7.629
  406    HA   HIS  58           HA       HIS  58  -4.647 -15.805   8.197
  407   1HB   HIS  58          HB2       HIS  58  -4.071 -14.535   6.277
  408   2HB   HIS  58          HB1       HIS  58  -4.708 -13.047   6.966
  409    HD2  HIS  58           HD2      HIS  58  -2.080 -15.291   8.852
  410    HE1  HIS  58           HE1      HIS  58  -0.346 -11.503   8.079
  411    HE2  HIS  58           HE2      HIS  58  -0.047 -13.737   9.206
  412    H    GLY  59           HN       GLY  59  -5.305 -12.369   8.960
  413   1HA   GLY  59          HA2       GLY  59  -5.722 -12.317  11.588
  414   2HA   GLY  59          HA1       GLY  59  -4.028 -12.797  11.540
  415    H    LEU  60           HN       LEU  60  -5.596 -10.289  12.326
  416    HA   LEU  60           HA       LEU  60  -5.010  -8.251  10.485
  417   1HB   LEU  60          HB2       LEU  60  -5.528  -6.699  12.275
  418   2HB   LEU  60          HB1       LEU  60  -6.704  -7.994  12.211
  419    HG   LEU  60           HG       LEU  60  -4.425  -8.090  14.167
  420   1HD1  LEU  60          HD11      LEU  60  -7.093  -6.740  14.559
  421   2HD1  LEU  60          HD12      LEU  60  -5.527  -5.934  14.473
  422   3HD1  LEU  60          HD13      LEU  60  -5.886  -7.026  15.811
  423   1HD2  LEU  60          HD21      LEU  60  -5.735 -10.129  13.830
  424   2HD2  LEU  60          HD22      LEU  60  -7.217  -9.239  14.180
  425   3HD2  LEU  60          HD23      LEU  60  -6.002  -9.460  15.441
  426    H    ILE  61           HN       ILE  61  -3.291  -7.026  10.139
  427    HA   ILE  61           HA       ILE  61  -0.915  -7.462  11.825
  428    HB   ILE  61           HB       ILE  61  -0.775  -6.358   9.028
  429   1HG1  ILE  61          HG12      ILE  61  -0.071  -8.828   8.455
  430   2HG1  ILE  61          HG11      ILE  61  -1.116  -9.230   9.813
  431   1HG2  ILE  61          HG21      ILE  61   1.176  -7.877  10.747
  432   2HG2  ILE  61          HG22      ILE  61   1.190  -6.144  10.417
  433   3HG2  ILE  61          HG23      ILE  61   1.491  -7.294   9.113
  434   1HD1  ILE  61          HD11      ILE  61  -1.924  -7.711   7.344
  435   2HD1  ILE  61          HD12      ILE  61  -2.974  -8.087   8.710
  436   3HD1  ILE  61          HD13      ILE  61  -2.316  -9.391   7.718
  437    H    SER  62           HN       SER  62  -0.047  -5.683  12.800
  438    HA   SER  62           HA       SER  62  -1.409  -3.228  12.852
  439   1HB   SER  62          HB2       SER  62   1.518  -3.701  13.477
  440   2HB   SER  62          HB1       SER  62   0.513  -2.378  14.073
  441    HG   SER  62           HG       SER  62  -0.850  -4.297  14.872
  442    H    LYS  63           HN       LYS  63  -1.152  -1.315  11.694
  443    HA   LYS  63           HA       LYS  63  -0.243  -1.698   9.026
  444   1HB   LYS  63          HB2       LYS  63  -1.327   0.699  10.477
  445   2HB   LYS  63          HB1       LYS  63  -0.760   0.803   8.813
  446   1HG   LYS  63          HG2       LYS  63  -2.355  -1.345   8.614
  447   2HG   LYS  63          HG1       LYS  63  -3.171  -0.480   9.917
  448   1HD   LYS  63          HD2       LYS  63  -3.486   1.442   8.560
  449   2HD   LYS  63          HD1       LYS  63  -2.394   0.825   7.316
  450   1HE   LYS  63          HE2       LYS  63  -3.974  -1.064   6.959
  451   2HE   LYS  63          HE1       LYS  63  -5.086  -0.290   8.086
  452   1HZ   LYS  63          HZ1       LYS  63  -4.107   0.936   5.556
  453   2HZ   LYS  63          HZ2       LYS  63  -5.251   1.591   6.614
  454   3HZ   LYS  63          HZ3       LYS  63  -5.610   0.176   5.757
  455    H    LYS  64           HN       LYS  64   1.558  -1.159  11.681
  456    HA   LYS  64           HA       LYS  64   3.599   0.514  10.477
  457   1HB   LYS  64          HB2       LYS  64   3.081   0.488  12.946
  458   2HB   LYS  64          HB1       LYS  64   3.686  -1.156  13.012
  459   1HG   LYS  64          HG2       LYS  64   5.431   1.081  12.051
  460   2HG   LYS  64          HG1       LYS  64   5.206   0.777  13.774
  461   1HD   LYS  64          HD2       LYS  64   5.894  -1.619  13.282
  462   2HD   LYS  64          HD1       LYS  64   6.403  -1.043  11.695
  463   1HE   LYS  64          HE2       LYS  64   7.453  -0.185  14.387
  464   2HE   LYS  64          HE1       LYS  64   8.314  -1.083  13.142
  465   1HZ   LYS  64          HZ1       LYS  64   7.585   1.772  13.197
  466   2HZ   LYS  64          HZ2       LYS  64   7.864   0.998  11.717
  467   3HZ   LYS  64          HZ3       LYS  64   9.094   1.058  12.885
  468    H    ARG  65           HN       ARG  65   2.624  -2.734  10.558
  469    HA   ARG  65           HA       ARG  65   5.261  -3.735   9.713
  470   1HB   ARG  65          HB2       ARG  65   4.528  -4.712  11.795
  471   2HB   ARG  65          HB1       ARG  65   2.956  -5.098  11.116
  472   1HG   ARG  65          HG2       ARG  65   4.015  -6.718   9.614
  473   2HG   ARG  65          HG1       ARG  65   5.585  -6.338  10.328
  474   1HD   ARG  65          HD2       ARG  65   4.922  -7.187  12.445
  475   2HD   ARG  65          HD1       ARG  65   3.237  -7.301  11.944
  476    HE   ARG  65           HE       ARG  65   4.677  -8.921  10.224
  477   1HH1  ARG  65          HH11      ARG  65   4.000  -8.781  13.663
  478   2HH1  ARG  65          HH12      ARG  65   4.135 -10.500  13.887
  479   1HH2  ARG  65          HH21      ARG  65   4.819 -11.158  10.501
  480   2HH2  ARG  65          HH22      ARG  65   4.571 -11.862  12.074
  481    H    VAL  66           HN       VAL  66   2.091  -3.113   8.695
  482    HA   VAL  66           HA       VAL  66   1.685  -5.175   6.795
  483    HB   VAL  66           HB       VAL  66   0.596  -2.349   6.813
  484   1HG1  VAL  66          HG11      VAL  66  -0.345  -4.776   5.292
  485   2HG1  VAL  66          HG12      VAL  66   0.429  -3.351   4.597
  486   3HG1  VAL  66          HG13      VAL  66  -1.162  -3.214   5.349
  487   1HG2  VAL  66          HG21      VAL  66  -0.615  -4.923   7.811
  488   2HG2  VAL  66          HG22      VAL  66  -1.404  -3.346   7.789
  489   3HG2  VAL  66          HG23      VAL  66   0.006  -3.614   8.814
  490    H    ASN  67           HN       ASN  67   2.233  -5.343   4.669
  491    HA   ASN  67           HA       ASN  67   4.379  -3.645   3.714
  492   1HB   ASN  67          HB2       ASN  67   4.526  -6.072   3.370
  493   2HB   ASN  67          HB1       ASN  67   3.027  -6.045   2.449
  494   1HD2  ASN  67          HD21      ASN  67   3.916  -6.836   0.595
  495   2HD2  ASN  67          HD22      ASN  67   5.023  -5.942  -0.381
  496    H    PHE  68           HN       PHE  68   3.620  -1.688   3.099
  497    HA   PHE  68           HA       PHE  68   1.175  -1.461   1.568
  498   1HB   PHE  68          HB2       PHE  68   3.165   0.599   2.528
  499   2HB   PHE  68          HB1       PHE  68   1.736   0.997   1.583
  500    HD1  PHE  68           HD2      PHE  68  -0.507   0.668   2.541
  501    HD2  PHE  68           HD1      PHE  68   3.022   0.088   4.838
  502    HE1  PHE  68           HE2      PHE  68  -1.837   0.781   4.606
  503    HE2  PHE  68           HE1      PHE  68   1.700   0.201   6.906
  504    HZ   PHE  68           HZ       PHE  68  -0.733   0.544   6.793
  505    H    VAL  69           HN       VAL  69   1.263  -2.037  -0.490
  506    HA   VAL  69           HA       VAL  69   3.664  -1.384  -2.048
  507    HB   VAL  69           HB       VAL  69   2.952  -3.746  -2.058
  508   1HG1  VAL  69          HG11      VAL  69   0.457  -2.731  -3.409
  509   2HG1  VAL  69          HG12      VAL  69   0.556  -3.442  -1.797
  510   3HG1  VAL  69          HG13      VAL  69   0.911  -4.425  -3.219
  511   1HG2  VAL  69          HG21      VAL  69   2.642  -2.381  -4.728
  512   2HG2  VAL  69          HG22      VAL  69   3.003  -4.091  -4.476
  513   3HG2  VAL  69          HG23      VAL  69   4.163  -2.860  -3.972
  514    H    ILE  70           HN       ILE  70   3.560  -0.164  -3.893
  515    HA   ILE  70           HA       ILE  70   1.303   1.607  -4.167
  516    HB   ILE  70           HB       ILE  70   3.769   1.386  -5.912
  517   1HG1  ILE  70          HG12      ILE  70   3.223   3.262  -3.599
  518   2HG1  ILE  70          HG11      ILE  70   4.288   1.862  -3.526
  519   1HG2  ILE  70          HG21      ILE  70   3.216   3.670  -6.604
  520   2HG2  ILE  70          HG22      ILE  70   1.763   3.622  -5.606
  521   3HG2  ILE  70          HG23      ILE  70   1.913   2.547  -6.996
  522   1HD1  ILE  70          HD11      ILE  70   5.728   2.874  -5.216
  523   2HD1  ILE  70          HD12      ILE  70   5.547   3.914  -3.802
  524   3HD1  ILE  70          HD13      ILE  70   4.660   4.276  -5.283
  525    H    SER  71           HN       SER  71  -0.285   1.510  -5.696
  526    HA   SER  71           HA       SER  71  -0.571  -0.866  -7.253
  527   1HB   SER  71          HB2       SER  71  -2.158   1.707  -7.439
  528   2HB   SER  71          HB1       SER  71  -2.651   0.115  -8.022
  529    HG   SER  71           HG       SER  71  -2.160  -0.384  -5.598
  530    H    ASP  72           HN       ASP  72   1.388  -0.790  -8.475
  531    HA   ASP  72           HA       ASP  72   1.632   1.309 -10.487
  532   1HB   ASP  72          HB2       ASP  72   3.650   0.688  -9.263
  533   2HB   ASP  72          HB1       ASP  72   3.471  -0.987  -9.776
  534    H    GLN  73           HN       GLN  73   1.393  -2.239 -10.346
  535    HA   GLN  73           HA       GLN  73   0.933  -2.315 -13.220
  536   1HB   GLN  73          HB2       GLN  73   1.236  -4.516 -11.173
  537   2HB   GLN  73          HB1       GLN  73   0.887  -4.805 -12.872
  538   1HG   GLN  73          HG2       GLN  73   2.982  -3.681 -13.475
  539   2HG   GLN  73          HG1       GLN  73   3.336  -3.455 -11.764
  540   1HE2  GLN  73          HE21      GLN  73   4.789  -4.902 -13.842
  541   2HE2  GLN  73          HE22      GLN  73   4.970  -6.521 -13.263
  542    H    LEU  74           HN       LEU  74  -1.071  -1.535 -13.605
  543    HA   LEU  74           HA       LEU  74  -3.311  -2.936 -12.303
  544   1HB   LEU  74          HB2       LEU  74  -3.211  -0.104 -13.347
  545   2HB   LEU  74          HB1       LEU  74  -4.659  -0.898 -12.758
  546    HG   LEU  74           HG       LEU  74  -2.202  -0.307 -11.101
  547   1HD1  LEU  74          HD11      LEU  74  -3.629   1.348  -9.995
  548   2HD1  LEU  74          HD12      LEU  74  -4.915   1.011 -11.154
  549   3HD1  LEU  74          HD13      LEU  74  -3.398   1.723 -11.702
  550   1HD2  LEU  74          HD21      LEU  74  -4.899  -1.418 -10.330
  551   2HD2  LEU  74          HD22      LEU  74  -3.611  -0.971  -9.210
  552   3HD2  LEU  74          HD23      LEU  74  -3.372  -2.301 -10.343
  553    H    GLU  75           HN       GLU  75  -3.527  -4.530 -13.822
  554    HA   GLU  75           HA       GLU  75  -3.547  -4.098 -16.615
  555   1HB   GLU  75          HB2       GLU  75  -4.683  -6.355 -14.960
  556   2HB   GLU  75          HB1       GLU  75  -4.547  -6.379 -16.714
  557   1HG   GLU  75          HG2       GLU  75  -2.265  -6.159 -14.766
  558   2HG   GLU  75          HG1       GLU  75  -2.734  -7.605 -15.662
  559    H    HIS  76           HN       HIS  76  -6.318  -5.136 -14.605
  560    HA   HIS  76           HA       HIS  76  -8.103  -3.700 -16.389
  561   1HB   HIS  76          HB2       HIS  76  -9.937  -4.686 -15.150
  562   2HB   HIS  76          HB1       HIS  76  -8.770  -5.936 -15.543
  563    HD1  HIS  76           HD1      HIS  76  -7.518  -7.057 -13.579
  564    HD2  HIS  76           HD2      HIS  76 -10.288  -4.174 -12.422
  565    HE1  HIS  76           HE1      HIS  76  -7.827  -7.363 -11.100
  566    HE2  HIS  76           HE2      HIS  76  -9.650  -5.742 -10.464
  567    H    HIS  77           HN       HIS  77  -9.149  -1.829 -15.925
  568    HA   HIS  77           HA       HIS  77  -8.573  -0.565 -13.345
  569   1HB   HIS  77          HB2       HIS  77  -7.960   1.561 -14.650
  570   2HB   HIS  77          HB1       HIS  77  -6.755   0.284 -14.565
  571    HD1  HIS  77           HD1      HIS  77  -8.871   2.178 -16.948
  572    HD2  HIS  77           HD2      HIS  77  -6.275  -1.063 -17.015
  573    HE1  HIS  77           HE1      HIS  77  -8.376   1.757 -19.380
  574    HE2  HIS  77           HE2      HIS  77  -6.651  -0.083 -19.380
  575    H    HIS  78           HN       HIS  78 -10.402   0.137 -12.538
  576    HA   HIS  78           HA       HIS  78 -12.598   0.770 -14.378
  577   1HB   HIS  78          HB2       HIS  78 -12.993  -1.089 -12.804
  578   2HB   HIS  78          HB1       HIS  78 -12.703  -0.001 -11.452
  579    HD1  HIS  78           HD1      HIS  78 -14.688   1.168 -10.527
  580    HD2  HIS  78           HD2      HIS  78 -15.392  -0.356 -14.335
  581    HE1  HIS  78           HE1      HIS  78 -17.143   1.517 -10.956
  582    HE2  HIS  78           HE2      HIS  78 -17.585   0.367 -13.155
  583    H    HIS  79           HN       HIS  79 -11.398   2.905 -14.589
  584    HA   HIS  79           HA       HIS  79 -12.272   4.763 -12.491
  585   1HB   HIS  79          HB2       HIS  79  -9.953   4.951 -13.517
  586   2HB   HIS  79          HB1       HIS  79 -10.739   5.434 -15.014
  587    HD1  HIS  79           HD1      HIS  79  -9.289   6.804 -12.024
  588    HD2  HIS  79           HD2      HIS  79 -12.381   7.910 -14.586
  589    HE1  HIS  79           HE1      HIS  79  -9.683   9.251 -11.603
  590    HE2  HIS  79           HE2      HIS  79 -11.426   9.934 -13.284
  591    H    HIS  80           HN       HIS  80 -12.932   3.674 -15.698
  592    HA   HIS  80           HA       HIS  80 -15.020   5.700 -16.046
  593   1HB   HIS  80          HB2       HIS  80 -15.080   5.085 -18.373
  594   2HB   HIS  80          HB1       HIS  80 -13.395   5.300 -17.920
  595    HD1  HIS  80           HD1      HIS  80 -15.458   3.108 -19.789
  596    HD2  HIS  80           HD2      HIS  80 -12.216   2.570 -17.235
  597    HE1  HIS  80           HE1      HIS  80 -14.557   0.816 -20.304
  598    HE2  HIS  80           HE2      HIS  80 -12.487   0.593 -18.887
  599    H    HIS  81           HN       HIS  81 -17.067   4.822 -17.093
  600    HA   HIS  81           HA       HIS  81 -17.947   2.491 -15.556
  601   1HB   HIS  81          HB2       HIS  81 -19.487   4.600 -17.089
  602   2HB   HIS  81          HB1       HIS  81 -20.240   3.206 -16.326
  603    HD1  HIS  81           HD1      HIS  81 -21.156   3.683 -14.096
  604    HD2  HIS  81           HD2      HIS  81 -17.968   6.191 -15.011
  605    HE1  HIS  81           HE1      HIS  81 -20.934   5.242 -12.136
  606    HE2  HIS  81           HE2      HIS  81 -18.916   6.663 -12.647
  Start of MODEL    8
    1   1H    MET   1          HT1       MET   1  11.190  -3.279   0.573
    2   2H    MET   1          HT2       MET   1  11.362  -1.610   0.817
    3   3H    MET   1          HT3       MET   1   9.832  -2.264   0.492
    4    HA   MET   1           HA       MET   1   9.916  -3.508   2.575
    5   1HB   MET   1          HB2       MET   1  12.393  -1.861   3.128
    6   2HB   MET   1          HB1       MET   1  11.655  -3.042   4.197
    7   1HG   MET   1          HG2       MET   1  13.638  -3.961   3.195
    8   2HG   MET   1          HG1       MET   1  12.216  -4.818   2.604
    9   1HE   MET   1          HE1       MET   1  15.263  -4.716   1.328
   10   2HE   MET   1          HE2       MET   1  14.852  -4.743  -0.387
   11   3HE   MET   1          HE3       MET   1  13.988  -5.786   0.743
   12    H    GLU   2           HN       GLU   2  11.228  -0.212   2.360
   13    HA   GLU   2           HA       GLU   2   8.889   0.744   3.873
   14   1HB   GLU   2          HB2       GLU   2  11.051   1.024   5.054
   15   2HB   GLU   2          HB1       GLU   2  11.662   1.952   3.694
   16   1HG   GLU   2          HG2       GLU   2  10.013   3.684   4.108
   17   2HG   GLU   2          HG1       GLU   2   9.337   2.744   5.436
   18    H    ILE   3           HN       ILE   3   8.124   2.911   3.235
   19    HA   ILE   3           HA       ILE   3   7.925   3.072   0.386
   20    HB   ILE   3           HB       ILE   3   6.544   5.150   0.882
   21   1HG1  ILE   3          HG12      ILE   3   6.830   4.123   3.720
   22   2HG1  ILE   3          HG11      ILE   3   7.520   5.624   3.110
   23   1HG2  ILE   3          HG21      ILE   3   4.630   3.813   1.645
   24   2HG2  ILE   3          HG22      ILE   3   5.731   2.507   2.087
   25   3HG2  ILE   3          HG23      ILE   3   5.563   2.986   0.398
   26   1HD1  ILE   3          HD11      ILE   3   5.273   6.477   2.682
   27   2HD1  ILE   3          HD12      ILE   3   5.499   6.041   4.376
   28   3HD1  ILE   3          HD13      ILE   3   4.590   4.975   3.305
   29    H    THR   4           HN       THR   4   9.963   3.514  -0.353
   30    HA   THR   4           HA       THR   4  10.925   6.255   0.134
   31    HB   THR   4           HB       THR   4  12.647   3.858  -0.549
   32    HG1  THR   4           HG1      THR   4  11.699   4.819   1.870
   33   1HG2  THR   4          HG21      THR   4  13.574   6.014  -1.257
   34   2HG2  THR   4          HG22      THR   4  14.507   5.329   0.073
   35   3HG2  THR   4          HG23      THR   4  13.371   6.643   0.378
   36    H    CYS   5           HN       CYS   5  10.973   7.498  -1.648
   37    HA   CYS   5           HA       CYS   5  10.211   6.399  -4.189
   38   1HB   CYS   5          HB2       CYS   5   9.425   8.609  -3.547
   39   2HB   CYS   5          HB1       CYS   5  11.079   9.193  -3.405
   40    HA   PRO   6           HA       PRO   6  14.421   5.443  -5.293
   41   1HB   PRO   6          HB2       PRO   6  13.907   4.401  -7.728
   42   2HB   PRO   6          HB1       PRO   6  13.534   3.538  -6.231
   43   1HG   PRO   6          HG2       PRO   6  11.712   5.114  -8.013
   44   2HG   PRO   6          HG1       PRO   6  11.433   3.547  -7.230
   45   1HD   PRO   6          HD2       PRO   6  10.461   5.894  -6.251
   46   2HD   PRO   6          HD1       PRO   6  10.879   4.513  -5.218
   47    H    VAL   7           HN       VAL   7  12.573   7.923  -6.475
   48    HA   VAL   7           HA       VAL   7  14.375   8.632  -8.663
   49    HB   VAL   7           HB       VAL   7  11.937  10.130  -7.682
   50   1HG1  VAL   7          HG11      VAL   7  13.478  11.502  -8.975
   51   2HG1  VAL   7          HG12      VAL   7  11.994  11.204  -9.879
   52   3HG1  VAL   7          HG13      VAL   7  13.464  10.312 -10.277
   53   1HG2  VAL   7          HG21      VAL   7  12.166   8.128  -9.928
   54   2HG2  VAL   7          HG22      VAL   7  10.740   9.097  -9.552
   55   3HG2  VAL   7          HG23      VAL   7  11.313   7.889  -8.404
   56    H    CYS   8           HN       CYS   8  13.563   9.557  -5.395
   57    HA   CYS   8           HA       CYS   8  15.621  11.661  -5.510
   58   1HB   CYS   8          HB2       CYS   8  14.310  12.812  -3.717
   59   2HB   CYS   8          HB1       CYS   8  13.478  12.716  -5.267
   60    H    HIS   9           HN       HIS   9  14.740   8.725  -4.204
   61    HA   HIS   9           HA       HIS   9  15.561   7.376  -2.584
   62   1HB   HIS   9          HB2       HIS   9  17.732   8.361  -3.644
   63   2HB   HIS   9          HB1       HIS   9  17.849   9.280  -2.147
   64    HD1  HIS   9           HD1      HIS   9  17.962   5.761  -3.469
   65    HD2  HIS   9           HD2      HIS   9  18.705   7.831   0.064
   66    HE1  HIS   9           HE1      HIS   9  19.120   4.123  -1.952
   67    HE2  HIS   9           HE2      HIS   9  19.759   5.464   0.081
   68    H    HIS  10           HN       HIS  10  13.711   9.454  -1.900
   69    HA   HIS  10           HA       HIS  10  14.463   9.985   0.902
   70   1HB   HIS  10          HB2       HIS  10  12.844  11.556  -1.067
   71   2HB   HIS  10          HB1       HIS  10  12.473  11.693   0.645
   72    HD1  HIS  10           HD1      HIS  10  15.505  12.103  -1.641
   73    HD2  HIS  10           HD2      HIS  10  13.933  13.563   1.924
   74    HE1  HIS  10           HE1      HIS  10  17.034  13.969  -0.938
   75    HE2  HIS  10           HE2      HIS  10  16.162  14.719   1.306
   76    H    ALA  11           HN       ALA  11  13.074   9.400   2.523
   77    HA   ALA  11           HA       ALA  11  11.083   7.433   2.005
   78   1HB   ALA  11          HB1       ALA  11  10.618   7.552   4.400
   79   2HB   ALA  11          HB2       ALA  11  11.597   9.012   4.527
   80   3HB   ALA  11          HB3       ALA  11  12.354   7.479   4.099
   81    H    LEU  12           HN       LEU  12   8.853   7.603   2.048
   82    HA   LEU  12           HA       LEU  12   7.918  10.292   1.363
   83   1HB   LEU  12          HB2       LEU  12   6.623   7.613   0.861
   84   2HB   LEU  12          HB1       LEU  12   6.072   9.161   0.244
   85    HG   LEU  12           HG       LEU  12   8.653   7.777  -0.476
   86   1HD1  LEU  12          HD11      LEU  12   7.660   7.564  -2.683
   87   2HD1  LEU  12          HD12      LEU  12   6.182   8.336  -2.108
   88   3HD1  LEU  12          HD13      LEU  12   6.660   6.763  -1.469
   89   1HD2  LEU  12          HD21      LEU  12   7.517  10.380  -1.481
   90   2HD2  LEU  12          HD22      LEU  12   8.995   9.600  -2.037
   91   3HD2  LEU  12          HD23      LEU  12   8.890  10.216  -0.390
   92    H    GLU  13           HN       GLU  13   5.700  10.886   1.946
   93    HA   GLU  13           HA       GLU  13   5.102  10.104   4.697
   94   1HB   GLU  13          HB2       GLU  13   5.265  12.518   4.155
   95   2HB   GLU  13          HB1       GLU  13   3.933  12.336   3.021
   96   1HG   GLU  13          HG2       GLU  13   3.190  13.291   5.132
   97   2HG   GLU  13          HG1       GLU  13   2.444  11.721   4.836
   98    H    ARG  14           HN       ARG  14   3.364   8.922   5.229
   99    HA   ARG  14           HA       ARG  14   1.735   7.933   2.996
  100   1HB   ARG  14          HB2       ARG  14   2.955   6.225   4.254
  101   2HB   ARG  14          HB1       ARG  14   2.225   6.778   5.753
  102   1HG   ARG  14          HG2       ARG  14   0.004   6.139   4.845
  103   2HG   ARG  14          HG1       ARG  14   0.825   5.458   3.438
  104   1HD   ARG  14          HD2       ARG  14   1.291   4.620   6.298
  105   2HD   ARG  14          HD1       ARG  14   0.265   3.765   5.151
  106    HE   ARG  14           HE       ARG  14   2.486   3.681   3.801
  107   1HH1  ARG  14          HH11      ARG  14   2.157   3.385   7.277
  108   2HH1  ARG  14          HH12      ARG  14   3.519   2.308   7.437
  109   1HH2  ARG  14          HH21      ARG  14   4.282   2.261   4.025
  110   2HH2  ARG  14          HH22      ARG  14   4.716   1.681   5.599
  111    H    ASN  15           HN       ASN  15  -0.108   9.023   2.773
  112    HA   ASN  15           HA       ASN  15  -1.674   9.561   5.209
  113   1HB   ASN  15          HB2       ASN  15  -0.858  11.655   4.143
  114   2HB   ASN  15          HB1       ASN  15  -1.690  11.201   2.660
  115   1HD2  ASN  15          HD21      ASN  15  -2.031  12.378   5.898
  116   2HD2  ASN  15          HD22      ASN  15  -3.701  12.805   5.784
  117    H    GLY  16           HN       GLY  16  -2.707   7.562   5.037
  118   1HA   GLY  16          HA2       GLY  16  -4.435   6.181   4.443
  119   2HA   GLY  16          HA1       GLY  16  -5.114   7.557   3.587
  120    H    ASP  17           HN       ASP  17  -5.408   7.266   1.513
  121    HA   ASP  17           HA       ASP  17  -4.405   4.929   0.184
  122   1HB   ASP  17          HB2       ASP  17  -6.238   7.176  -0.591
  123   2HB   ASP  17          HB1       ASP  17  -5.639   6.056  -1.810
  124    H    THR  18           HN       THR  18  -3.084   7.976   0.641
  125    HA   THR  18           HA       THR  18  -1.619   7.794  -1.906
  126    HB   THR  18           HB       THR  18  -2.457  10.376  -0.578
  127    HG1  THR  18           HG1      THR  18  -3.890   8.667  -2.068
  128   1HG2  THR  18          HG21      THR  18  -1.300   9.800  -3.312
  129   2HG2  THR  18          HG22      THR  18  -0.440  10.545  -1.965
  130   3HG2  THR  18          HG23      THR  18  -1.798  11.384  -2.715
  131    H    ALA  19           HN       ALA  19   0.517   7.881  -1.789
  132    HA   ALA  19           HA       ALA  19   1.774   8.915   0.667
  133   1HB   ALA  19          HB1       ALA  19   3.775   7.657  -0.030
  134   2HB   ALA  19          HB2       ALA  19   2.894   7.056  -1.436
  135   3HB   ALA  19          HB3       ALA  19   2.379   6.603   0.189
  136    H    HIS  20           HN       HIS  20   2.459  10.933   0.437
  137    HA   HIS  20           HA       HIS  20   2.758  11.976  -2.271
  138   1HB   HIS  20          HB2       HIS  20   1.328  13.197  -0.654
  139   2HB   HIS  20          HB1       HIS  20   2.748  13.489   0.346
  140    HD1  HIS  20           HD1      HIS  20   1.327  14.376  -3.055
  141    HD2  HIS  20           HD2      HIS  20   4.281  15.635  -0.403
  142    HE1  HIS  20           HE1      HIS  20   2.194  16.557  -3.974
  143    HE2  HIS  20           HE2      HIS  20   3.894  17.356  -2.287
  144    H    CYS  21           HN       CYS  21   4.606  12.451  -3.177
  145    HA   CYS  21           HA       CYS  21   7.074  12.150  -1.644
  146   1HB   CYS  21          HB2       CYS  21   6.685  10.928  -3.818
  147   2HB   CYS  21          HB1       CYS  21   6.699  12.491  -4.628
  148    H    GLU  22           HN       GLU  22   7.811  13.986  -0.724
  149    HA   GLU  22           HA       GLU  22   7.030  16.580  -1.532
  150   1HB   GLU  22          HB2       GLU  22   9.444  15.836   0.128
  151   2HB   GLU  22          HB1       GLU  22   8.646  17.400   0.079
  152   1HG   GLU  22          HG2       GLU  22   7.505  14.835   1.155
  153   2HG   GLU  22          HG1       GLU  22   8.049  16.224   2.091
  154    H    THR  23           HN       THR  23  10.434  15.528  -1.401
  155    HA   THR  23           HA       THR  23  11.254  17.173  -3.543
  156    HB   THR  23           HB       THR  23  13.277  15.622  -3.609
  157    HG1  THR  23           HG1      THR  23  12.072  14.516  -1.265
  158   1HG2  THR  23          HG21      THR  23  13.244  17.681  -2.290
  159   2HG2  THR  23          HG22      THR  23  14.145  16.410  -1.465
  160   3HG2  THR  23          HG23      THR  23  12.510  16.810  -0.944
  161    H    CYS  24           HN       CYS  24  11.320  16.819  -5.722
  162    HA   CYS  24           HA       CYS  24  10.214  16.212  -7.608
  163   1HB   CYS  24          HB2       CYS  24  10.785  14.106  -8.544
  164   2HB   CYS  24          HB1       CYS  24  12.156  14.585  -7.556
  165    H    ALA  25           HN       ALA  25   8.153  16.698  -7.218
  166    HA   ALA  25           HA       ALA  25   6.398  15.369  -5.506
  167   1HB   ALA  25          HB1       ALA  25   6.089  17.672  -6.277
  168   2HB   ALA  25          HB2       ALA  25   4.650  16.687  -6.546
  169   3HB   ALA  25          HB3       ALA  25   5.719  17.074  -7.895
  170    H    LYS  26           HN       LYS  26   5.579  13.470  -5.645
  171    HA   LYS  26           HA       LYS  26   4.360  12.477  -8.066
  172   1HB   LYS  26          HB2       LYS  26   6.629  11.007  -6.694
  173   2HB   LYS  26          HB1       LYS  26   5.500  10.224  -7.787
  174   1HG   LYS  26          HG2       LYS  26   6.239  11.667  -9.603
  175   2HG   LYS  26          HG1       LYS  26   7.345  12.493  -8.506
  176   1HD   LYS  26          HD2       LYS  26   8.612  10.907  -9.765
  177   2HD   LYS  26          HD1       LYS  26   8.474  10.300  -8.115
  178   1HE   LYS  26          HE2       LYS  26   8.142   8.502  -9.709
  179   2HE   LYS  26          HE1       LYS  26   6.653   8.818  -8.821
  180   1HZ   LYS  26          HZ1       LYS  26   6.504   8.481 -11.327
  181   2HZ   LYS  26          HZ2       LYS  26   7.147  10.048 -11.464
  182   3HZ   LYS  26          HZ3       LYS  26   5.671   9.800 -10.665
  183    H    ASP  27           HN       ASP  27   2.429  11.669  -7.437
  184    HA   ASP  27           HA       ASP  27   2.119  10.986  -4.603
  185   1HB   ASP  27          HB2       ASP  27   0.080  11.682  -6.724
  186   2HB   ASP  27          HB1       ASP  27  -0.357  11.099  -5.121
  187    H    PHE  28           HN       PHE  28   2.334   8.940  -4.122
  188    HA   PHE  28           HA       PHE  28   1.717   6.912  -6.149
  189   1HB   PHE  28          HB2       PHE  28   3.231   6.678  -3.538
  190   2HB   PHE  28          HB1       PHE  28   2.991   5.374  -4.692
  191    HD1  PHE  28           HD1      PHE  28   4.133   5.411  -6.861
  192    HD2  PHE  28           HD2      PHE  28   4.864   8.375  -3.898
  193    HE1  PHE  28           HE1      PHE  28   6.200   6.060  -8.026
  194    HE2  PHE  28           HE2      PHE  28   6.931   9.030  -5.057
  195    HZ   PHE  28           HZ       PHE  28   7.603   7.871  -7.123
  196    H    SER  29           HN       SER  29  -0.177   5.902  -6.029
  197    HA   SER  29           HA       SER  29  -1.866   6.000  -3.749
  198   1HB   SER  29          HB2       SER  29  -2.912   3.985  -5.213
  199   2HB   SER  29          HB1       SER  29  -3.147   5.686  -5.620
  200    HG   SER  29           HG       SER  29  -1.789   3.754  -6.980
  201    H    LEU  30           HN       LEU  30  -1.742   4.783  -1.950
  202    HA   LEU  30           HA       LEU  30  -0.049   2.381  -2.061
  203   1HB   LEU  30          HB2       LEU  30  -0.754   4.208   0.218
  204   2HB   LEU  30          HB1       LEU  30  -0.016   2.638   0.464
  205    HG   LEU  30           HG       LEU  30   1.184   5.018  -0.944
  206   1HD1  LEU  30          HD11      LEU  30   1.282   5.102   1.475
  207   2HD1  LEU  30          HD12      LEU  30   2.887   4.793   0.809
  208   3HD1  LEU  30          HD13      LEU  30   1.959   3.474   1.523
  209   1HD2  LEU  30          HD21      LEU  30   1.744   2.984  -2.179
  210   2HD2  LEU  30          HD22      LEU  30   2.297   2.226  -0.686
  211   3HD2  LEU  30          HD23      LEU  30   3.152   3.625  -1.332
  212    H    GLN  31           HN       GLN  31  -0.729   0.456  -1.355
  213    HA   GLN  31           HA       GLN  31  -3.338   0.248  -0.038
  214   1HB   GLN  31          HB2       GLN  31  -2.441  -1.295  -2.476
  215   2HB   GLN  31          HB1       GLN  31  -3.735  -1.854  -1.425
  216   1HG   GLN  31          HG2       GLN  31  -3.710   0.766  -2.906
  217   2HG   GLN  31          HG1       GLN  31  -4.577  -0.687  -3.406
  218   1HE2  GLN  31          HE21      GLN  31  -5.545   2.010  -2.675
  219   2HE2  GLN  31          HE22      GLN  31  -6.690   1.756  -1.405
  220    H    ALA  32           HN       ALA  32  -3.337  -1.172   1.624
  221    HA   ALA  32           HA       ALA  32  -0.820  -2.166   2.526
  222   1HB   ALA  32          HB1       ALA  32  -2.725  -1.318   3.982
  223   2HB   ALA  32          HB2       ALA  32  -1.935  -2.802   4.504
  224   3HB   ALA  32          HB3       ALA  32  -3.496  -2.878   3.699
  225    H    LEU  33           HN       LEU  33   0.105  -4.022   1.939
  226    HA   LEU  33           HA       LEU  33  -1.658  -6.242   1.145
  227   1HB   LEU  33          HB2       LEU  33   0.279  -5.002  -0.412
  228   2HB   LEU  33          HB1       LEU  33   1.079  -6.448   0.177
  229    HG   LEU  33           HG       LEU  33  -0.754  -7.825  -0.724
  230   1HD1  LEU  33          HD11      LEU  33  -2.387  -6.819  -2.240
  231   2HD1  LEU  33          HD12      LEU  33  -1.763  -5.217  -1.849
  232   3HD1  LEU  33          HD13      LEU  33  -2.549  -6.184  -0.602
  233   1HD2  LEU  33          HD21      LEU  33   1.244  -7.428  -2.063
  234   2HD2  LEU  33          HD22      LEU  33   0.516  -5.968  -2.732
  235   3HD2  LEU  33          HD23      LEU  33  -0.188  -7.546  -3.084
  236    H    CYS  34           HN       CYS  34  -0.753  -8.384   1.532
  237    HA   CYS  34           HA       CYS  34   0.439  -8.436   4.199
  238   1HB   CYS  34          HB2       CYS  34  -1.758  -9.674   3.258
  239   2HB   CYS  34          HB1       CYS  34  -0.569 -10.905   2.876
  240    HA   PRO  35           HA       PRO  35   4.215 -10.073   2.222
  241   1HB   PRO  35          HB2       PRO  35   5.323  -9.862   4.917
  242   2HB   PRO  35          HB1       PRO  35   5.821  -9.017   3.450
  243   1HG   PRO  35          HG2       PRO  35   4.620  -7.759   5.529
  244   2HG   PRO  35          HG1       PRO  35   4.433  -7.233   3.847
  245   1HD   PRO  35          HD2       PRO  35   2.559  -8.832   5.550
  246   2HD   PRO  35          HD1       PRO  35   2.200  -7.521   4.406
  247    H    ASP  36           HN       ASP  36   2.514 -11.912   2.370
  248    HA   ASP  36           HA       ASP  36   3.261 -14.079   4.057
  249   1HB   ASP  36          HB2       ASP  36   2.315 -12.727   5.800
  250   2HB   ASP  36          HB1       ASP  36   0.925 -12.315   4.816
  251    H    CYS  37           HN       CYS  37  -0.013 -13.020   3.196
  252    HA   CYS  37           HA       CYS  37  -0.237 -15.315   1.398
  253   1HB   CYS  37          HB2       CYS  37  -2.723 -13.965   1.593
  254   2HB   CYS  37          HB1       CYS  37  -2.280 -15.514   2.298
  255    H    ARG  38           HN       ARG  38  -0.201 -11.886   1.515
  256    HA   ARG  38           HA       ARG  38  -0.035 -10.252  -0.011
  257   1HB   ARG  38          HB2       ARG  38   1.797 -11.896  -0.728
  258   2HB   ARG  38          HB1       ARG  38   0.721 -12.314  -2.055
  259   1HG   ARG  38          HG2       ARG  38   0.753 -10.056  -2.864
  260   2HG   ARG  38          HG1       ARG  38   1.685  -9.532  -1.460
  261   1HD   ARG  38          HD2       ARG  38   3.525 -10.997  -2.161
  262   2HD   ARG  38          HD1       ARG  38   2.593 -11.463  -3.585
  263    HE   ARG  38           HE       ARG  38   2.937  -8.633  -3.345
  264   1HH1  ARG  38          HH11      ARG  38   4.445 -11.589  -4.421
  265   2HH1  ARG  38          HH12      ARG  38   5.423 -10.808  -5.623
  266   1HH2  ARG  38          HH21      ARG  38   4.241  -7.586  -4.911
  267   2HH2  ARG  38          HH22      ARG  38   5.326  -8.527  -5.885
  268    H    GLN  39           HN       GLN  39  -2.548 -11.876   0.188
  269    HA   GLN  39           HA       GLN  39  -3.860 -11.482  -2.320
  270   1HB   GLN  39          HB2       GLN  39  -4.936 -11.807   0.490
  271   2HB   GLN  39          HB1       GLN  39  -5.944 -11.743  -0.949
  272   1HG   GLN  39          HG2       GLN  39  -4.792 -13.758  -1.792
  273   2HG   GLN  39          HG1       GLN  39  -3.896 -13.840  -0.276
  274   1HE2  GLN  39          HE21      GLN  39  -4.766 -15.854   0.219
  275   2HE2  GLN  39          HE22      GLN  39  -6.409 -16.038   0.736
  276    HA   PRO  40           HA       PRO  40  -4.880  -7.139  -1.978
  277   1HB   PRO  40          HB2       PRO  40  -7.747  -7.724  -2.368
  278   2HB   PRO  40          HB1       PRO  40  -6.652  -6.762  -3.363
  279   1HG   PRO  40          HG2       PRO  40  -7.528  -9.161  -4.169
  280   2HG   PRO  40          HG1       PRO  40  -5.885  -8.601  -4.535
  281   1HD   PRO  40          HD2       PRO  40  -6.812 -10.526  -2.436
  282   2HD   PRO  40          HD1       PRO  40  -5.379 -10.605  -3.483
  283    H    LEU  41           HN       LEU  41  -5.938  -9.422   0.152
  284    HA   LEU  41           HA       LEU  41  -6.578  -9.424   2.305
  285   1HB   LEU  41          HB2       LEU  41  -5.922  -6.490   2.072
  286   2HB   LEU  41          HB1       LEU  41  -6.387  -7.257   3.581
  287    HG   LEU  41           HG       LEU  41  -3.954  -7.946   1.927
  288   1HD1  LEU  41          HD11      LEU  41  -3.739  -5.805   3.072
  289   2HD1  LEU  41          HD12      LEU  41  -2.687  -7.022   3.796
  290   3HD1  LEU  41          HD13      LEU  41  -4.190  -6.568   4.595
  291   1HD2  LEU  41          HD21      LEU  41  -5.089  -9.109   4.451
  292   2HD2  LEU  41          HD22      LEU  41  -3.393  -9.277   4.015
  293   3HD2  LEU  41          HD23      LEU  41  -4.640  -9.941   2.959
  294    H    GLN  42           HN       GLN  42  -8.132  -7.936   3.877
  295    HA   GLN  42           HA       GLN  42 -10.613  -7.762   2.316
  296   1HB   GLN  42          HB2       GLN  42 -10.536  -9.591   3.989
  297   2HB   GLN  42          HB1       GLN  42 -10.276  -8.399   5.254
  298   1HG   GLN  42          HG2       GLN  42 -12.442  -7.498   4.980
  299   2HG   GLN  42          HG1       GLN  42 -12.695  -8.386   3.477
  300   1HE2  GLN  42          HE21      GLN  42 -13.225 -10.549   3.546
  301   2HE2  GLN  42          HE22      GLN  42 -13.715 -11.344   5.010
  302    H    VAL  43           HN       VAL  43 -11.458  -5.830   2.121
  303    HA   VAL  43           HA       VAL  43 -10.236  -3.572   3.366
  304    HB   VAL  43           HB       VAL  43 -12.833  -3.582   1.816
  305   1HG1  VAL  43          HG11      VAL  43 -12.354  -1.507   2.952
  306   2HG1  VAL  43          HG12      VAL  43 -12.177  -1.299   1.209
  307   3HG1  VAL  43          HG13      VAL  43 -10.746  -1.450   2.228
  308   1HG2  VAL  43          HG21      VAL  43 -11.172  -4.767   0.497
  309   2HG2  VAL  43          HG22      VAL  43 -10.038  -3.430   0.698
  310   3HG2  VAL  43          HG23      VAL  43 -11.529  -3.194  -0.214
  311    H    LEU  44           HN       LEU  44 -10.703  -2.810   5.298
  312    HA   LEU  44           HA       LEU  44 -13.342  -3.431   6.433
  313   1HB   LEU  44          HB2       LEU  44 -10.780  -2.831   7.908
  314   2HB   LEU  44          HB1       LEU  44 -12.304  -3.340   8.617
  315    HG   LEU  44           HG       LEU  44 -10.548  -4.994   6.802
  316   1HD1  LEU  44          HD11      LEU  44 -10.186  -6.381   8.742
  317   2HD1  LEU  44          HD12      LEU  44 -11.212  -5.325   9.715
  318   3HD1  LEU  44          HD13      LEU  44  -9.683  -4.723   9.074
  319   1HD2  LEU  44          HD21      LEU  44 -13.142  -5.719   8.155
  320   2HD2  LEU  44          HD22      LEU  44 -12.116  -6.806   7.218
  321   3HD2  LEU  44          HD23      LEU  44 -12.920  -5.450   6.427
  322    H    LYS  45           HN       LYS  45 -14.522  -1.730   5.920
  323    HA   LYS  45           HA       LYS  45 -13.472   0.961   6.017
  324   1HB   LYS  45          HB2       LYS  45 -16.288   0.012   5.437
  325   2HB   LYS  45          HB1       LYS  45 -15.628   1.609   5.100
  326   1HG   LYS  45          HG2       LYS  45 -14.185   0.746   3.418
  327   2HG   LYS  45          HG1       LYS  45 -14.556  -0.918   3.868
  328   1HD   LYS  45          HD2       LYS  45 -16.940  -0.454   3.222
  329   2HD   LYS  45          HD1       LYS  45 -16.387   1.092   2.570
  330   1HE   LYS  45          HE2       LYS  45 -14.947  -0.017   1.003
  331   2HE   LYS  45          HE1       LYS  45 -15.282  -1.584   1.735
  332   1HZ   LYS  45          HZ1       LYS  45 -16.596  -1.484  -0.179
  333   2HZ   LYS  45          HZ2       LYS  45 -17.101   0.106   0.119
  334   3HZ   LYS  45          HZ3       LYS  45 -17.678  -1.164   1.091
  335    H    ALA  46           HN       ALA  46 -13.240   1.797   7.986
  336    HA   ALA  46           HA       ALA  46 -15.234   1.219  10.054
  337   1HB   ALA  46          HB1       ALA  46 -12.523   2.528  10.281
  338   2HB   ALA  46          HB2       ALA  46 -12.880   0.835  10.618
  339   3HB   ALA  46          HB3       ALA  46 -13.586   2.100  11.622
  340    H    CYS  47           HN       CYS  47 -15.450   3.220  11.630
  341    HA   CYS  47           HA       CYS  47 -16.711   5.292  10.126
  342   1HB   CYS  47          HB2       CYS  47 -16.066   5.157  13.082
  343   2HB   CYS  47          HB1       CYS  47 -17.160   6.311  12.321
  344    HG   CYS  47           HG       CYS  47 -18.936   4.279  11.432
  345    H    GLY  48           HN       GLY  48 -15.432   6.557   8.935
  346   1HA   GLY  48          HA2       GLY  48 -13.970   8.281   8.494
  347   2HA   GLY  48          HA1       GLY  48 -13.695   8.427  10.223
  348    H    ALA  49           HN       ALA  49 -13.213   5.358   8.686
  349    HA   ALA  49           HA       ALA  49 -10.359   5.777   8.372
  350   1HB   ALA  49          HB1       ALA  49  -9.714   3.997   9.901
  351   2HB   ALA  49          HB2       ALA  49 -11.401   3.756  10.356
  352   3HB   ALA  49          HB3       ALA  49 -10.585   5.265  10.764
  353    H    VAL  50           HN       VAL  50  -9.336   4.151   7.168
  354    HA   VAL  50           HA       VAL  50 -11.020   1.952   6.205
  355    HB   VAL  50           HB       VAL  50  -9.929   2.281   3.900
  356   1HG1  VAL  50          HG11      VAL  50 -11.674   3.842   3.184
  357   2HG1  VAL  50          HG12      VAL  50 -11.968   4.283   4.866
  358   3HG1  VAL  50          HG13      VAL  50 -12.302   2.642   4.313
  359   1HG2  VAL  50          HG21      VAL  50  -9.531   5.059   5.017
  360   2HG2  VAL  50          HG22      VAL  50  -9.354   4.602   3.323
  361   3HG2  VAL  50          HG23      VAL  50  -8.259   3.935   4.534
  362    H    ASP  51           HN       ASP  51  -9.988   0.225   6.997
  363    HA   ASP  51           HA       ASP  51  -7.054   0.133   6.731
  364   1HB   ASP  51          HB2       ASP  51  -8.835  -1.435   8.607
  365   2HB   ASP  51          HB1       ASP  51  -7.092  -1.639   8.454
  366    H    TYR  52           HN       TYR  52  -6.107  -1.895   6.154
  367    HA   TYR  52           HA       TYR  52  -7.890  -3.695   4.669
  368   1HB   TYR  52          HB2       TYR  52  -5.293  -2.470   3.745
  369   2HB   TYR  52          HB1       TYR  52  -5.955  -3.921   3.007
  370    HD1  TYR  52           HD1      TYR  52  -6.919  -0.405   3.840
  371    HD2  TYR  52           HD2      TYR  52  -7.346  -3.693   1.172
  372    HE1  TYR  52           HE1      TYR  52  -8.270   0.996   2.338
  373    HE2  TYR  52           HE2      TYR  52  -8.702  -2.300  -0.333
  374    HH   TYR  52           HH       TYR  52  -8.967   1.113   0.056
  375    H    PHE  53           HN       PHE  53  -7.828  -5.441   5.987
  376    HA   PHE  53           HA       PHE  53  -5.429  -6.982   5.908
  377   1HB   PHE  53          HB2       PHE  53  -5.236  -7.389   8.371
  378   2HB   PHE  53          HB1       PHE  53  -4.670  -5.829   7.807
  379    HD1  PHE  53           HD1      PHE  53  -7.376  -7.559   9.618
  380    HD2  PHE  53           HD2      PHE  53  -5.586  -3.823   8.629
  381    HE1  PHE  53           HE1      PHE  53  -8.706  -6.461  11.375
  382    HE2  PHE  53           HE2      PHE  53  -6.929  -2.717  10.372
  383    HZ   PHE  53           HZ       PHE  53  -8.484  -4.037  11.752
  384    H    CYS  54           HN       CYS  54  -5.673  -9.137   6.506
  385    HA   CYS  54           HA       CYS  54  -8.297 -10.049   5.802
  386   1HB   CYS  54          HB2       CYS  54  -7.100 -12.342   5.956
  387   2HB   CYS  54          HB1       CYS  54  -6.620 -11.228   4.686
  388    H    GLN  55           HN       GLN  55  -9.759  -9.910   7.448
  389    HA   GLN  55           HA       GLN  55  -9.242 -10.347  10.165
  390   1HB   GLN  55          HB2       GLN  55 -11.849 -10.812   8.705
  391   2HB   GLN  55          HB1       GLN  55 -11.667 -10.654  10.443
  392   1HG   GLN  55          HG2       GLN  55 -10.787  -8.339  10.033
  393   2HG   GLN  55          HG1       GLN  55 -11.275  -8.538   8.349
  394   1HE2  GLN  55          HE21      GLN  55 -13.495  -8.766   7.867
  395   2HE2  GLN  55          HE22      GLN  55 -14.711  -8.203   8.965
  396    H    ASN  56           HN       ASN  56 -10.512 -12.559   7.706
  397    HA   ASN  56           HA       ASN  56  -9.984 -14.795   9.540
  398   1HB   ASN  56          HB2       ASN  56 -12.384 -14.407   8.845
  399   2HB   ASN  56          HB1       ASN  56 -11.899 -14.797   7.199
  400   1HD2  ASN  56          HD21      ASN  56 -13.322 -16.548   7.184
  401   2HD2  ASN  56          HD22      ASN  56 -12.955 -18.020   8.026
  402    H    GLY  57           HN       GLY  57  -9.646 -16.918   8.155
  403   1HA   GLY  57          HA2       GLY  57  -8.343 -18.024   6.570
  404   2HA   GLY  57          HA1       GLY  57  -7.987 -16.472   5.815
  405    H    HIS  58           HN       HIS  58  -6.808 -14.973   7.495
  406    HA   HIS  58           HA       HIS  58  -4.696 -16.529   8.832
  407   1HB   HIS  58          HB2       HIS  58  -3.634 -15.488   6.983
  408   2HB   HIS  58          HB1       HIS  58  -4.513 -13.988   7.212
  409    HD2  HIS  58           HD2      HIS  58  -3.157 -14.581  10.609
  410    HE1  HIS  58           HE1      HIS  58  -0.053 -12.560   8.559
  411    HE2  HIS  58           HE2      HIS  58  -1.103 -13.027  10.795
  412    H    GLY  59           HN       GLY  59  -5.767 -13.118   8.806
  413   1HA   GLY  59          HA2       GLY  59  -6.975 -12.468  10.953
  414   2HA   GLY  59          HA1       GLY  59  -5.584 -13.198  11.743
  415    H    LEU  60           HN       LEU  60  -6.311 -10.585  12.181
  416    HA   LEU  60           HA       LEU  60  -5.256  -8.545  10.673
  417   1HB   LEU  60          HB2       LEU  60  -6.509  -7.938  12.546
  418   2HB   LEU  60          HB1       LEU  60  -5.589  -8.967  13.625
  419    HG   LEU  60           HG       LEU  60  -3.649  -7.346  13.273
  420   1HD1  LEU  60          HD11      LEU  60  -4.242  -5.077  12.618
  421   2HD1  LEU  60          HD12      LEU  60  -5.874  -5.616  12.219
  422   3HD1  LEU  60          HD13      LEU  60  -4.495  -6.217  11.296
  423   1HD2  LEU  60          HD21      LEU  60  -4.915  -7.457  15.336
  424   2HD2  LEU  60          HD22      LEU  60  -6.147  -6.392  14.658
  425   3HD2  LEU  60          HD23      LEU  60  -4.517  -5.784  14.946
  426    H    ILE  61           HN       ILE  61  -3.323  -7.756  10.211
  427    HA   ILE  61           HA       ILE  61  -0.956  -8.762  11.646
  428    HB   ILE  61           HB       ILE  61  -0.905  -7.333   8.982
  429   1HG1  ILE  61          HG12      ILE  61  -0.383  -9.774   8.141
  430   2HG1  ILE  61          HG11      ILE  61  -1.330 -10.245   9.547
  431   1HG2  ILE  61          HG21      ILE  61   1.106  -9.091  10.382
  432   2HG2  ILE  61          HG22      ILE  61   1.183  -7.337  10.211
  433   3HG2  ILE  61          HG23      ILE  61   1.316  -8.369   8.787
  434   1HD1  ILE  61          HD11      ILE  61  -2.269  -8.477   7.299
  435   2HD1  ILE  61          HD12      ILE  61  -3.221  -8.954   8.705
  436   3HD1  ILE  61          HD13      ILE  61  -2.694 -10.171   7.543
  437    H    SER  62           HN       SER  62   0.377  -7.228  12.627
  438    HA   SER  62           HA       SER  62  -0.674  -4.792  13.427
  439   1HB   SER  62          HB2       SER  62   2.268  -5.457  13.142
  440   2HB   SER  62          HB1       SER  62   1.560  -4.244  14.211
  441    HG   SER  62           HG       SER  62   1.703  -6.995  14.480
  442    H    LYS  63           HN       LYS  63  -1.079  -2.978  12.351
  443    HA   LYS  63           HA       LYS  63  -0.695  -2.938   9.555
  444   1HB   LYS  63          HB2       LYS  63  -1.835  -0.777   9.604
  445   2HB   LYS  63          HB1       LYS  63  -2.665  -1.981  10.576
  446   1HG   LYS  63          HG2       LYS  63  -1.589  -0.984  12.593
  447   2HG   LYS  63          HG1       LYS  63  -0.964   0.299  11.555
  448   1HD   LYS  63          HD2       LYS  63  -2.995   1.067  12.598
  449   2HD   LYS  63          HD1       LYS  63  -3.300   0.816  10.877
  450   1HE   LYS  63          HE2       LYS  63  -4.225  -1.428  11.439
  451   2HE   LYS  63          HE1       LYS  63  -4.049  -1.025  13.146
  452   1HZ   LYS  63          HZ1       LYS  63  -5.804   0.305  11.151
  453   2HZ   LYS  63          HZ2       LYS  63  -5.515   0.926  12.705
  454   3HZ   LYS  63          HZ3       LYS  63  -6.279  -0.576  12.523
  455    H    LYS  64           HN       LYS  64   1.427  -1.967  11.979
  456    HA   LYS  64           HA       LYS  64   2.727   0.136  10.518
  457   1HB   LYS  64          HB2       LYS  64   3.729  -1.522  12.839
  458   2HB   LYS  64          HB1       LYS  64   4.515  -0.085  12.200
  459   1HG   LYS  64          HG2       LYS  64   2.463   1.205  12.782
  460   2HG   LYS  64          HG1       LYS  64   1.846  -0.244  13.576
  461   1HD   LYS  64          HD2       LYS  64   2.815   0.868  15.348
  462   2HD   LYS  64          HD1       LYS  64   4.130  -0.189  14.837
  463   1HE   LYS  64          HE2       LYS  64   3.797   2.715  14.088
  464   2HE   LYS  64          HE1       LYS  64   4.916   2.086  15.291
  465   1HZ   LYS  64          HZ1       LYS  64   5.978   0.802  13.465
  466   2HZ   LYS  64          HZ2       LYS  64   6.104   2.482  13.294
  467   3HZ   LYS  64          HZ3       LYS  64   4.987   1.626  12.358
  468    H    ARG  65           HN       ARG  65   2.972  -3.330  10.742
  469    HA   ARG  65           HA       ARG  65   5.417  -3.287   9.118
  470   1HB   ARG  65          HB2       ARG  65   4.269  -5.354  10.975
  471   2HB   ARG  65          HB1       ARG  65   5.515  -5.759   9.801
  472   1HG   ARG  65          HG2       ARG  65   7.004  -4.102  10.802
  473   2HG   ARG  65          HG1       ARG  65   5.753  -3.687  11.975
  474   1HD   ARG  65          HD2       ARG  65   5.860  -5.848  12.969
  475   2HD   ARG  65          HD1       ARG  65   6.884  -6.459  11.669
  476    HE   ARG  65           HE       ARG  65   8.491  -4.615  12.580
  477   1HH1  ARG  65          HH11      ARG  65   6.341  -6.594  14.516
  478   2HH1  ARG  65          HH12      ARG  65   7.438  -6.690  15.860
  479   1HH2  ARG  65          HH21      ARG  65   9.920  -4.725  14.376
  480   2HH2  ARG  65          HH22      ARG  65   9.452  -5.639  15.781
  481    H    VAL  66           HN       VAL  66   2.184  -3.497   8.704
  482    HA   VAL  66           HA       VAL  66   2.002  -5.506   6.698
  483    HB   VAL  66           HB       VAL  66   0.339  -3.000   7.072
  484   1HG1  VAL  66          HG11      VAL  66   0.132  -3.804   4.802
  485   2HG1  VAL  66          HG12      VAL  66  -1.341  -4.175   5.700
  486   3HG1  VAL  66          HG13      VAL  66  -0.160  -5.444   5.379
  487   1HG2  VAL  66          HG21      VAL  66  -0.163  -5.849   7.917
  488   2HG2  VAL  66          HG22      VAL  66  -1.289  -4.504   8.104
  489   3HG2  VAL  66          HG23      VAL  66   0.239  -4.503   8.983
  490    H    ASN  67           HN       ASN  67   2.445  -5.379   4.510
  491    HA   ASN  67           HA       ASN  67   4.281  -3.240   3.850
  492   1HB   ASN  67          HB2       ASN  67   4.895  -5.579   3.338
  493   2HB   ASN  67          HB1       ASN  67   3.533  -5.683   2.224
  494   1HD2  ASN  67          HD21      ASN  67   5.000  -6.162   0.538
  495   2HD2  ASN  67          HD22      ASN  67   5.939  -4.911  -0.201
  496    H    PHE  68           HN       PHE  68   3.081  -1.448   3.501
  497    HA   PHE  68           HA       PHE  68   0.853  -1.377   1.722
  498   1HB   PHE  68          HB2       PHE  68   2.624   0.780   2.883
  499   2HB   PHE  68          HB1       PHE  68   1.302   1.137   1.778
  500    HD1  PHE  68           HD2      PHE  68   2.058  -0.456   5.051
  501    HD2  PHE  68           HD1      PHE  68  -0.861   1.396   2.571
  502    HE1  PHE  68           HE2      PHE  68   0.489  -0.403   6.943
  503    HE2  PHE  68           HE1      PHE  68  -2.435   1.453   4.458
  504    HZ   PHE  68           HZ       PHE  68  -1.762   0.552   6.649
  505    H    VAL  69           HN       VAL  69   1.088  -1.869  -0.339
  506    HA   VAL  69           HA       VAL  69   3.614  -1.282  -1.691
  507    HB   VAL  69           HB       VAL  69   2.782  -2.733  -3.494
  508   1HG1  VAL  69          HG11      VAL  69   4.070  -3.735  -1.707
  509   2HG1  VAL  69          HG12      VAL  69   2.825  -4.856  -2.256
  510   3HG1  VAL  69          HG13      VAL  69   2.607  -3.966  -0.749
  511   1HG2  VAL  69          HG21      VAL  69   0.718  -4.027  -3.201
  512   2HG2  VAL  69          HG22      VAL  69   0.394  -2.295  -3.287
  513   3HG2  VAL  69          HG23      VAL  69   0.365  -3.122  -1.728
  514    H    ILE  70           HN       ILE  70   3.545  -0.406  -3.880
  515    HA   ILE  70           HA       ILE  70   1.729   1.840  -3.988
  516    HB   ILE  70           HB       ILE  70   3.960   1.050  -5.872
  517   1HG1  ILE  70          HG12      ILE  70   3.860   3.125  -3.666
  518   2HG1  ILE  70          HG11      ILE  70   4.704   1.583  -3.574
  519   1HG2  ILE  70          HG21      ILE  70   2.384   3.618  -5.670
  520   2HG2  ILE  70          HG22      ILE  70   2.290   2.439  -6.978
  521   3HG2  ILE  70          HG23      ILE  70   3.779   3.348  -6.717
  522   1HD1  ILE  70          HD11      ILE  70   5.332   3.825  -5.477
  523   2HD1  ILE  70          HD12      ILE  70   6.187   2.286  -5.375
  524   3HD1  ILE  70          HD13      ILE  70   6.233   3.412  -4.019
  525    H    SER  71           HN       SER  71  -0.192   1.623  -4.815
  526    HA   SER  71           HA       SER  71  -0.909  -0.546  -6.542
  527   1HB   SER  71          HB2       SER  71  -2.472   0.342  -4.848
  528   2HB   SER  71          HB1       SER  71  -2.504   1.889  -5.691
  529    HG   SER  71           HG       SER  71  -4.174   0.056  -6.091
  530    H    ASP  72           HN       ASP  72   0.571  -0.107  -8.251
  531    HA   ASP  72           HA       ASP  72   0.382   2.216  -9.883
  532   1HB   ASP  72          HB2       ASP  72   2.345   0.647  -9.806
  533   2HB   ASP  72          HB1       ASP  72   1.369  -0.542 -10.662
  534    H    GLN  73           HN       GLN  73  -0.669  -1.131 -10.422
  535    HA   GLN  73           HA       GLN  73  -3.133  -0.213 -11.649
  536   1HB   GLN  73          HB2       GLN  73  -1.038  -1.811 -13.118
  537   2HB   GLN  73          HB1       GLN  73  -2.729  -1.817 -13.597
  538   1HG   GLN  73          HG2       GLN  73  -2.678   0.470 -14.158
  539   2HG   GLN  73          HG1       GLN  73  -1.134   0.713 -13.343
  540   1HE2  GLN  73          HE21      GLN  73   0.744   0.065 -14.315
  541   2HE2  GLN  73          HE22      GLN  73   0.834  -0.341 -16.006
  542    H    LEU  74           HN       LEU  74  -4.295  -1.208 -10.034
  543    HA   LEU  74           HA       LEU  74  -3.883  -4.013  -9.459
  544   1HB   LEU  74          HB2       LEU  74  -6.031  -2.073  -8.606
  545   2HB   LEU  74          HB1       LEU  74  -5.997  -3.756  -8.116
  546    HG   LEU  74           HG       LEU  74  -3.931  -1.661  -7.443
  547   1HD1  LEU  74          HD11      LEU  74  -4.721  -1.959  -5.160
  548   2HD1  LEU  74          HD12      LEU  74  -5.926  -3.119  -5.716
  549   3HD1  LEU  74          HD13      LEU  74  -6.032  -1.431  -6.214
  550   1HD2  LEU  74          HD21      LEU  74  -4.067  -4.570  -6.655
  551   2HD2  LEU  74          HD22      LEU  74  -2.897  -3.390  -6.063
  552   3HD2  LEU  74          HD23      LEU  74  -2.900  -3.853  -7.765
  553    H    GLU  75           HN       GLU  75  -5.380  -5.677  -9.911
  554    HA   GLU  75           HA       GLU  75  -6.567  -5.457 -12.511
  555   1HB   GLU  75          HB2       GLU  75  -6.665  -7.733 -10.524
  556   2HB   GLU  75          HB1       GLU  75  -7.107  -7.828 -12.225
  557   1HG   GLU  75          HG2       GLU  75  -4.798  -7.277 -12.841
  558   2HG   GLU  75          HG1       GLU  75  -4.367  -7.221 -11.133
  559    H    HIS  76           HN       HIS  76  -7.608  -4.391  -9.652
  560    HA   HIS  76           HA       HIS  76 -10.438  -4.977 -10.155
  561   1HB   HIS  76          HB2       HIS  76  -9.616  -5.375  -7.857
  562   2HB   HIS  76          HB1       HIS  76  -9.101  -3.698  -7.750
  563    HD1  HIS  76           HD1      HIS  76 -10.641  -2.448  -6.303
  564    HD2  HIS  76           HD2      HIS  76 -12.655  -5.267  -8.609
  565    HE1  HIS  76           HE1      HIS  76 -13.073  -2.183  -5.728
  566    HE2  HIS  76           HE2      HIS  76 -14.285  -3.728  -7.306
  567    H    HIS  77           HN       HIS  77  -8.351  -2.993 -11.395
  568    HA   HIS  77           HA       HIS  77  -9.303  -0.378 -10.931
  569   1HB   HIS  77          HB2       HIS  77  -7.140  -1.076 -12.110
  570   2HB   HIS  77          HB1       HIS  77  -8.130  -1.356 -13.538
  571    HD1  HIS  77           HD1      HIS  77  -8.681   0.654 -14.968
  572    HD2  HIS  77           HD2      HIS  77  -7.072   1.688 -11.265
  573    HE1  HIS  77           HE1      HIS  77  -8.272   3.137 -15.065
  574    HE2  HIS  77           HE2      HIS  77  -7.305   3.746 -12.815
  575    H    HIS  78           HN       HIS  78 -10.803   0.878 -12.061
  576    HA   HIS  78           HA       HIS  78 -13.093  -0.569 -12.936
  577   1HB   HIS  78          HB2       HIS  78 -13.207   1.588 -11.708
  578   2HB   HIS  78          HB1       HIS  78 -12.558   2.402 -13.126
  579    HD1  HIS  78           HD1      HIS  78 -14.258   3.351 -14.653
  580    HD2  HIS  78           HD2      HIS  78 -15.793   0.243 -12.348
  581    HE1  HIS  78           HE1      HIS  78 -16.707   3.228 -15.218
  582    HE2  HIS  78           HE2      HIS  78 -17.649   1.487 -13.655
  583    H    HIS  79           HN       HIS  79 -12.308  -1.758 -14.714
  584    HA   HIS  79           HA       HIS  79 -11.656  -0.308 -17.149
  585   1HB   HIS  79          HB2       HIS  79 -10.514  -2.459 -16.552
  586   2HB   HIS  79          HB1       HIS  79 -12.055  -3.285 -16.742
  587    HD1  HIS  79           HD1      HIS  79  -9.085  -2.324 -18.574
  588    HD2  HIS  79           HD2      HIS  79 -13.063  -3.104 -19.517
  589    HE1  HIS  79           HE1      HIS  79  -9.130  -2.734 -21.054
  590    HE2  HIS  79           HE2      HIS  79 -11.504  -3.424 -21.558
  591    H    HIS  80           HN       HIS  80 -14.031  -2.810 -16.279
  592    HA   HIS  80           HA       HIS  80 -16.227  -1.314 -17.331
  593   1HB   HIS  80          HB2       HIS  80 -15.227  -2.193 -19.435
  594   2HB   HIS  80          HB1       HIS  80 -15.393  -3.828 -18.809
  595    HD1  HIS  80           HD1      HIS  80 -17.291  -1.087 -20.442
  596    HD2  HIS  80           HD2      HIS  80 -18.070  -4.803 -18.734
  597    HE1  HIS  80           HE1      HIS  80 -19.618  -1.699 -21.171
  598    HE2  HIS  80           HE2      HIS  80 -20.134  -3.854 -19.972
  599    H    HIS  81           HN       HIS  81 -17.970  -1.874 -16.188
  600    HA   HIS  81           HA       HIS  81 -17.936  -4.500 -14.850
  601   1HB   HIS  81          HB2       HIS  81 -17.905  -2.558 -13.310
  602   2HB   HIS  81          HB1       HIS  81 -19.407  -1.985 -14.024
  603    HD1  HIS  81           HD1      HIS  81 -18.055  -4.354 -11.519
  604    HD2  HIS  81           HD2      HIS  81 -21.699  -3.577 -13.379
  605    HE1  HIS  81           HE1      HIS  81 -19.785  -5.559 -10.158
  606    HE2  HIS  81           HE2      HIS  81 -21.942  -5.244 -11.417
  Start of MODEL    9
    1   1H    MET   1          HT1       MET   1  15.086   1.221   4.335
    2   2H    MET   1          HT2       MET   1  14.361   0.595   2.934
    3   3H    MET   1          HT3       MET   1  15.053  -0.457   4.066
    4    HA   MET   1           HA       MET   1  12.667  -0.481   4.220
    5   1HB   MET   1          HB2       MET   1  12.445   0.062   6.632
    6   2HB   MET   1          HB1       MET   1  13.859  -0.911   6.268
    7   1HG   MET   1          HG2       MET   1  13.886   2.065   6.719
    8   2HG   MET   1          HG1       MET   1  14.287   0.850   7.931
    9   1HE   MET   1          HE1       MET   1  16.640   1.821   8.447
   10   2HE   MET   1          HE2       MET   1  16.296   3.162   7.353
   11   3HE   MET   1          HE3       MET   1  17.817   2.279   7.216
   12    H    GLU   2           HN       GLU   2  13.826   2.365   3.250
   13    HA   GLU   2           HA       GLU   2  11.322   3.796   3.837
   14   1HB   GLU   2          HB2       GLU   2  13.671   4.842   4.216
   15   2HB   GLU   2          HB1       GLU   2  13.749   4.957   2.466
   16   1HG   GLU   2          HG2       GLU   2  11.459   6.141   3.992
   17   2HG   GLU   2          HG1       GLU   2  12.986   7.001   3.816
   18    H    ILE   3           HN       ILE   3  10.003   4.429   2.079
   19    HA   ILE   3           HA       ILE   3   9.957   2.570  -0.041
   20    HB   ILE   3           HB       ILE   3   8.485   5.200   0.024
   21   1HG1  ILE   3          HG12      ILE   3   7.633   2.532   1.178
   22   2HG1  ILE   3          HG11      ILE   3   8.151   3.922   2.126
   23   1HG2  ILE   3          HG21      ILE   3   8.407   4.067  -2.121
   24   2HG2  ILE   3          HG22      ILE   3   6.830   3.979  -1.335
   25   3HG2  ILE   3          HG23      ILE   3   7.895   2.573  -1.337
   26   1HD1  ILE   3          HD11      ILE   3   5.741   3.834   0.327
   27   2HD1  ILE   3          HD12      ILE   3   6.248   5.198   1.324
   28   3HD1  ILE   3          HD13      ILE   3   5.725   3.696   2.085
   29    H    THR   4           HN       THR   4  10.551   6.034  -0.034
   30    HA   THR   4           HA       THR   4  11.886   7.387  -1.264
   31    HB   THR   4           HB       THR   4  13.195   4.906  -2.387
   32    HG1  THR   4           HG1      THR   4  13.244   6.052   0.167
   33   1HG2  THR   4          HG21      THR   4  14.236   7.694  -1.862
   34   2HG2  THR   4          HG22      THR   4  13.832   7.025  -3.446
   35   3HG2  THR   4          HG23      THR   4  15.169   6.347  -2.516
   36    H    CYS   5           HN       CYS   5  11.310   8.529  -3.002
   37    HA   CYS   5           HA       CYS   5   9.900   7.341  -5.202
   38   1HB   CYS   5          HB2       CYS   5   9.474   9.678  -4.510
   39   2HB   CYS   5          HB1       CYS   5  11.123  10.107  -4.948
   40    HA   PRO   6           HA       PRO   6  13.676   5.690  -6.832
   41   1HB   PRO   6          HB2       PRO   6  12.629   4.865  -9.245
   42   2HB   PRO   6          HB1       PRO   6  12.509   3.959  -7.734
   43   1HG   PRO   6          HG2       PRO   6  10.506   5.760  -9.033
   44   2HG   PRO   6          HG1       PRO   6  10.255   4.203  -8.219
   45   1HD   PRO   6          HD2       PRO   6   9.690   6.526  -7.006
   46   2HD   PRO   6          HD1       PRO   6  10.364   5.152  -6.105
   47    H    VAL   7           HN       VAL   7  11.816   8.150  -8.450
   48    HA   VAL   7           HA       VAL   7  13.995   8.600 -10.360
   49    HB   VAL   7           HB       VAL   7  12.428  10.092 -11.548
   50   1HG1  VAL   7          HG11      VAL   7  11.361   7.327 -10.988
   51   2HG1  VAL   7          HG12      VAL   7  12.570   7.760 -12.197
   52   3HG1  VAL   7          HG13      VAL   7  10.912   8.338 -12.362
   53   1HG2  VAL   7          HG21      VAL   7  10.069  10.140 -10.928
   54   2HG2  VAL   7          HG22      VAL   7  11.075  10.810  -9.644
   55   3HG2  VAL   7          HG23      VAL   7  10.418   9.180  -9.491
   56    H    CYS   8           HN       CYS   8  13.472   9.522  -7.352
   57    HA   CYS   8           HA       CYS   8  14.552  12.213  -7.842
   58   1HB   CYS   8          HB2       CYS   8  12.474  11.483  -5.774
   59   2HB   CYS   8          HB1       CYS   8  13.288  13.041  -5.874
   60    H    HIS   9           HN       HIS   9  14.525   9.316  -5.939
   61    HA   HIS   9           HA       HIS   9  15.934   8.458  -4.387
   62   1HB   HIS   9          HB2       HIS   9  17.691   9.237  -5.991
   63   2HB   HIS   9          HB1       HIS   9  17.785  10.751  -5.101
   64    HD1  HIS   9           HD1      HIS   9  20.147  10.518  -4.246
   65    HD2  HIS   9           HD2      HIS   9  17.761   7.233  -3.338
   66    HE1  HIS   9           HE1      HIS   9  21.496   9.122  -2.645
   67    HE2  HIS   9           HE2      HIS   9  19.955   7.243  -1.963
   68    H    HIS  10           HN       HIS  10  14.058  10.823  -3.928
   69    HA   HIS  10           HA       HIS  10  15.153  11.871  -1.433
   70   1HB   HIS  10          HB2       HIS  10  12.796  12.652  -3.135
   71   2HB   HIS  10          HB1       HIS  10  12.945  13.216  -1.473
   72    HD1  HIS  10           HD1      HIS  10  13.410  14.572  -4.590
   73    HD2  HIS  10           HD2      HIS  10  15.938  14.225  -1.308
   74    HE1  HIS  10           HE1      HIS  10  15.186  16.326  -4.913
   75    HE2  HIS  10           HE2      HIS  10  16.762  16.033  -2.965
   76    H    ALA  11           HN       ALA  11  13.796  11.876   0.484
   77    HA   ALA  11           HA       ALA  11  12.665   9.257   0.920
   78   1HB   ALA  11          HB1       ALA  11  12.928  11.620   2.778
   79   2HB   ALA  11          HB2       ALA  11  14.064  10.280   2.634
   80   3HB   ALA  11          HB3       ALA  11  12.435   9.994   3.248
   81    H    LEU  12           HN       LEU  12  10.583   8.754   0.734
   82    HA   LEU  12           HA       LEU  12   8.739  10.706  -0.185
   83   1HB   LEU  12          HB2       LEU  12   8.476   7.810   0.551
   84   2HB   LEU  12          HB1       LEU  12   7.067   8.773   0.148
   85    HG   LEU  12           HG       LEU  12   9.428   8.276  -1.670
   86   1HD1  LEU  12          HD11      LEU  12   8.059   6.288  -1.367
   87   2HD1  LEU  12          HD12      LEU  12   7.832   6.960  -2.982
   88   3HD1  LEU  12          HD13      LEU  12   6.606   7.217  -1.740
   89   1HD2  LEU  12          HD21      LEU  12   6.830   9.727  -2.163
   90   2HD2  LEU  12          HD22      LEU  12   8.065   9.378  -3.373
   91   3HD2  LEU  12          HD23      LEU  12   8.425  10.469  -2.035
   92    H    GLU  13           HN       GLU  13   7.722  12.115   0.956
   93    HA   GLU  13           HA       GLU  13   7.373  11.960   3.785
   94   1HB   GLU  13          HB2       GLU  13   7.643  14.098   2.613
   95   2HB   GLU  13          HB1       GLU  13   6.165  13.806   1.711
   96   1HG   GLU  13          HG2       GLU  13   4.899  13.875   3.821
   97   2HG   GLU  13          HG1       GLU  13   6.398  14.245   4.676
   98    H    ARG  14           HN       ARG  14   6.115  10.232   4.393
   99    HA   ARG  14           HA       ARG  14   3.636   9.812   2.890
  100   1HB   ARG  14          HB2       ARG  14   3.578   7.572   3.802
  101   2HB   ARG  14          HB1       ARG  14   5.144   7.875   3.068
  102   1HG   ARG  14          HG2       ARG  14   6.169   8.135   5.219
  103   2HG   ARG  14          HG1       ARG  14   4.598   8.051   6.023
  104   1HD   ARG  14          HD2       ARG  14   4.314   5.757   5.165
  105   2HD   ARG  14          HD1       ARG  14   5.917   5.847   4.438
  106    HE   ARG  14           HE       ARG  14   6.793   6.090   6.740
  107   1HH1  ARG  14          HH11      ARG  14   3.606   4.693   6.265
  108   2HH1  ARG  14          HH12      ARG  14   3.644   3.769   7.736
  109   1HH2  ARG  14          HH21      ARG  14   6.869   4.822   8.651
  110   2HH2  ARG  14          HH22      ARG  14   5.494   3.858   9.097
  111    H    ASN  15           HN       ASN  15   1.676   9.589   3.868
  112    HA   ASN  15           HA       ASN  15   1.373  10.947   6.426
  113   1HB   ASN  15          HB2       ASN  15  -0.752   9.771   4.610
  114   2HB   ASN  15          HB1       ASN  15  -1.014  10.890   5.944
  115   1HD2  ASN  15          HD21      ASN  15  -1.624  11.054   3.059
  116   2HD2  ASN  15          HD22      ASN  15  -0.902  12.528   2.520
  117    H    GLY  16           HN       GLY  16   1.882   7.890   5.292
  118   1HA   GLY  16          HA2       GLY  16   2.120   6.186   7.125
  119   2HA   GLY  16          HA1       GLY  16   0.453   6.595   7.521
  120    H    ASP  17           HN       ASP  17  -0.959   6.606   5.446
  121    HA   ASP  17           HA       ASP  17  -0.748   3.974   4.245
  122   1HB   ASP  17          HB2       ASP  17  -2.999   4.670   3.229
  123   2HB   ASP  17          HB1       ASP  17  -2.937   4.469   4.976
  124    H    THR  18           HN       THR  18  -0.916   7.348   3.173
  125    HA   THR  18           HA       THR  18  -0.063   6.485   0.498
  126    HB   THR  18           HB       THR  18  -0.771   8.990   0.021
  127    HG1  THR  18           HG1      THR  18  -2.434   8.320   2.254
  128   1HG2  THR  18          HG21      THR  18  -3.064   8.213  -0.470
  129   2HG2  THR  18          HG22      THR  18  -2.754   6.753   0.470
  130   3HG2  THR  18          HG23      THR  18  -1.841   7.063  -1.006
  131    H    ALA  19           HN       ALA  19   1.517   7.819  -0.619
  132    HA   ALA  19           HA       ALA  19   3.381   9.153   1.237
  133   1HB   ALA  19          HB1       ALA  19   4.211   6.933   0.593
  134   2HB   ALA  19          HB2       ALA  19   5.243   8.222  -0.024
  135   3HB   ALA  19          HB3       ALA  19   4.117   7.400  -1.105
  136    H    HIS  20           HN       HIS  20   4.168  11.098   0.614
  137    HA   HIS  20           HA       HIS  20   3.332  12.070  -2.042
  138   1HB   HIS  20          HB2       HIS  20   2.263  13.207  -0.111
  139   2HB   HIS  20          HB1       HIS  20   3.855  13.663   0.481
  140    HD1  HIS  20           HD1      HIS  20   1.319  14.486  -2.130
  141    HD2  HIS  20           HD2      HIS  20   5.067  15.817  -0.884
  142    HE1  HIS  20           HE1      HIS  20   1.694  16.673  -3.311
  143    HE2  HIS  20           HE2      HIS  20   3.899  17.521  -2.454
  144    H    CYS  21           HN       CYS  21   4.935  12.424  -3.444
  145    HA   CYS  21           HA       CYS  21   7.639  12.883  -2.440
  146   1HB   CYS  21          HB2       CYS  21   7.354  11.333  -4.339
  147   2HB   CYS  21          HB1       CYS  21   6.637  12.631  -5.287
  148    H    GLU  22           HN       GLU  22   8.245  14.890  -1.990
  149    HA   GLU  22           HA       GLU  22   6.626  17.120  -2.720
  150   1HB   GLU  22          HB2       GLU  22   8.115  18.454  -1.439
  151   2HB   GLU  22          HB1       GLU  22   7.961  16.923  -0.596
  152   1HG   GLU  22          HG2       GLU  22  10.285  17.869  -2.252
  153   2HG   GLU  22          HG1       GLU  22  10.232  17.644  -0.507
  154    H    THR  23           HN       THR  23   9.541  15.695  -3.997
  155    HA   THR  23           HA       THR  23   9.798  17.837  -5.960
  156    HB   THR  23           HB       THR  23  11.771  16.354  -6.738
  157    HG1  THR  23           HG1      THR  23  11.458  15.329  -4.080
  158   1HG2  THR  23          HG21      THR  23  11.814  17.677  -4.023
  159   2HG2  THR  23          HG22      THR  23  12.054  18.480  -5.575
  160   3HG2  THR  23          HG23      THR  23  13.232  17.298  -5.001
  161    H    CYS  24           HN       CYS  24   7.523  16.956  -6.472
  162    HA   CYS  24           HA       CYS  24   7.487  15.788  -9.010
  163   1HB   CYS  24          HB2       CYS  24   7.051  13.897  -6.736
  164   2HB   CYS  24          HB1       CYS  24   6.019  13.742  -8.150
  165    H    ALA  25           HN       ALA  25   5.850  16.500  -6.001
  166    HA   ALA  25           HA       ALA  25   3.775  17.259  -5.464
  167   1HB   ALA  25          HB1       ALA  25   3.531  17.911  -8.404
  168   2HB   ALA  25          HB2       ALA  25   4.178  18.984  -7.161
  169   3HB   ALA  25          HB3       ALA  25   2.481  18.505  -7.116
  170    H    LYS  26           HN       LYS  26   4.389  14.545  -6.416
  171    HA   LYS  26           HA       LYS  26   1.767  13.663  -7.406
  172   1HB   LYS  26          HB2       LYS  26   3.697  13.165  -8.878
  173   2HB   LYS  26          HB1       LYS  26   4.455  12.275  -7.570
  174   1HG   LYS  26          HG2       LYS  26   2.591  10.675  -7.601
  175   2HG   LYS  26          HG1       LYS  26   1.884  11.552  -8.960
  176   1HD   LYS  26          HD2       LYS  26   3.886  11.106 -10.290
  177   2HD   LYS  26          HD1       LYS  26   4.604  10.243  -8.930
  178   1HE   LYS  26          HE2       LYS  26   3.717   8.627 -10.453
  179   2HE   LYS  26          HE1       LYS  26   2.694   8.650  -9.019
  180   1HZ   LYS  26          HZ1       LYS  26   1.394   8.569 -11.059
  181   2HZ   LYS  26          HZ2       LYS  26   2.098  10.018 -11.588
  182   3HZ   LYS  26          HZ3       LYS  26   1.103  10.010 -10.216
  183    H    ASP  27           HN       ASP  27   0.537  12.561  -6.044
  184    HA   ASP  27           HA       ASP  27   1.734  11.473  -3.597
  185   1HB   ASP  27          HB2       ASP  27  -1.113  12.121  -4.363
  186   2HB   ASP  27          HB1       ASP  27  -0.726  11.160  -2.940
  187    H    PHE  28           HN       PHE  28   1.906   9.367  -3.257
  188    HA   PHE  28           HA       PHE  28   1.004   7.571  -5.388
  189   1HB   PHE  28          HB2       PHE  28   3.022   7.159  -3.167
  190   2HB   PHE  28          HB1       PHE  28   2.596   5.949  -4.369
  191    HD1  PHE  28           HD1      PHE  28   3.255   6.244  -6.714
  192    HD2  PHE  28           HD2      PHE  28   4.491   8.968  -3.686
  193    HE1  PHE  28           HE1      PHE  28   5.009   7.105  -8.210
  194    HE2  PHE  28           HE2      PHE  28   6.244   9.837  -5.177
  195    HZ   PHE  28           HZ       PHE  28   6.507   8.901  -7.442
  196    H    SER  29           HN       SER  29  -0.586   6.202  -5.079
  197    HA   SER  29           HA       SER  29  -1.692   5.890  -2.385
  198   1HB   SER  29          HB2       SER  29  -3.159   6.658  -4.288
  199   2HB   SER  29          HB1       SER  29  -2.915   5.082  -5.038
  200    HG   SER  29           HG       SER  29  -4.483   5.806  -2.873
  201    H    LEU  30           HN       LEU  30  -1.033   4.158  -1.307
  202    HA   LEU  30           HA       LEU  30  -0.075   1.836  -2.820
  203   1HB   LEU  30          HB2       LEU  30   0.412   2.580   0.068
  204   2HB   LEU  30          HB1       LEU  30   1.089   1.189  -0.753
  205    HG   LEU  30           HG       LEU  30   2.106   3.000  -2.361
  206   1HD1  LEU  30          HD11      LEU  30   0.925   4.901  -1.396
  207   2HD1  LEU  30          HD12      LEU  30   2.673   5.074  -1.221
  208   3HD1  LEU  30          HD13      LEU  30   1.691   4.591   0.163
  209   1HD2  LEU  30          HD21      LEU  30   4.098   3.092  -0.946
  210   2HD2  LEU  30          HD22      LEU  30   3.401   1.471  -0.991
  211   3HD2  LEU  30          HD23      LEU  30   3.150   2.500   0.419
  212    H    GLN  31           HN       GLN  31  -0.485  -0.311  -1.808
  213    HA   GLN  31           HA       GLN  31  -3.158  -0.369  -0.572
  214   1HB   GLN  31          HB2       GLN  31  -1.782  -2.554  -2.150
  215   2HB   GLN  31          HB1       GLN  31  -3.404  -2.629  -1.481
  216   1HG   GLN  31          HG2       GLN  31  -3.990  -0.682  -2.947
  217   2HG   GLN  31          HG1       GLN  31  -2.419  -0.891  -3.718
  218   1HE2  GLN  31          HE21      GLN  31  -5.606  -2.179  -3.301
  219   2HE2  GLN  31          HE22      GLN  31  -5.509  -3.365  -4.559
  220    H    ALA  32           HN       ALA  32  -3.470  -1.550   1.266
  221    HA   ALA  32           HA       ALA  32  -1.113  -2.217   2.787
  222   1HB   ALA  32          HB1       ALA  32  -4.052  -2.375   3.484
  223   2HB   ALA  32          HB2       ALA  32  -2.932  -1.086   3.925
  224   3HB   ALA  32          HB3       ALA  32  -2.735  -2.700   4.609
  225    H    LEU  33           HN       LEU  33  -0.192  -4.035   1.913
  226    HA   LEU  33           HA       LEU  33  -1.894  -6.383   1.517
  227   1HB   LEU  33          HB2       LEU  33  -0.070  -5.478  -0.131
  228   2HB   LEU  33          HB1       LEU  33   1.045  -6.302   0.942
  229    HG   LEU  33           HG       LEU  33  -0.202  -8.421   0.540
  230   1HD1  LEU  33          HD11      LEU  33  -2.356  -7.462  -0.071
  231   2HD1  LEU  33          HD12      LEU  33  -1.755  -8.512  -1.354
  232   3HD1  LEU  33          HD13      LEU  33  -1.646  -6.759  -1.525
  233   1HD2  LEU  33          HD21      LEU  33   0.667  -8.779  -1.716
  234   2HD2  LEU  33          HD22      LEU  33   1.823  -7.897  -0.718
  235   3HD2  LEU  33          HD23      LEU  33   0.860  -7.038  -1.921
  236    H    CYS  34           HN       CYS  34  -1.208  -8.454   2.416
  237    HA   CYS  34           HA       CYS  34   0.032  -8.098   5.038
  238   1HB   CYS  34          HB2       CYS  34  -0.900 -10.480   5.388
  239   2HB   CYS  34          HB1       CYS  34  -2.036  -9.138   5.339
  240    HA   PRO  35           HA       PRO  35   3.688  -9.521   2.971
  241   1HB   PRO  35          HB2       PRO  35   5.313  -9.444   5.169
  242   2HB   PRO  35          HB1       PRO  35   4.862  -8.023   4.219
  243   1HG   PRO  35          HG2       PRO  35   3.712  -9.024   6.797
  244   2HG   PRO  35          HG1       PRO  35   4.098  -7.362   6.310
  245   1HD   PRO  35          HD2       PRO  35   1.581  -8.315   6.263
  246   2HD   PRO  35          HD1       PRO  35   2.166  -7.147   5.060
  247    H    ASP  36           HN       ASP  36   2.610 -11.026   5.992
  248    HA   ASP  36           HA       ASP  36   4.324 -13.286   5.758
  249   1HB   ASP  36          HB2       ASP  36   3.443 -12.653   7.926
  250   2HB   ASP  36          HB1       ASP  36   1.792 -12.887   7.358
  251    H    CYS  37           HN       CYS  37   0.857 -12.847   5.156
  252    HA   CYS  37           HA       CYS  37   0.927 -15.228   3.419
  253   1HB   CYS  37          HB2       CYS  37  -1.499 -15.450   3.901
  254   2HB   CYS  37          HB1       CYS  37  -0.521 -15.560   5.363
  255    H    ARG  38           HN       ARG  38   1.558 -13.997   1.582
  256    HA   ARG  38           HA       ARG  38   0.257 -11.496   1.007
  257   1HB   ARG  38          HB2       ARG  38   2.227 -13.037  -0.687
  258   2HB   ARG  38          HB1       ARG  38   1.758 -11.354  -0.903
  259   1HG   ARG  38          HG2       ARG  38   2.699 -10.852   1.325
  260   2HG   ARG  38          HG1       ARG  38   3.254 -12.522   1.430
  261   1HD   ARG  38          HD2       ARG  38   4.490 -12.091  -0.745
  262   2HD   ARG  38          HD1       ARG  38   4.141 -10.381  -0.483
  263    HE   ARG  38           HE       ARG  38   5.526 -11.936   1.587
  264   1HH1  ARG  38          HH11      ARG  38   5.466  -9.239  -0.656
  265   2HH1  ARG  38          HH12      ARG  38   6.970  -8.576  -0.082
  266   1HH2  ARG  38          HH21      ARG  38   7.501 -11.067   2.327
  267   2HH2  ARG  38          HH22      ARG  38   8.130  -9.614   1.615
  268    H    GLN  39           HN       GLN  39  -1.851 -12.021   0.682
  269    HA   GLN  39           HA       GLN  39  -2.532 -12.587  -2.060
  270   1HB   GLN  39          HB2       GLN  39  -3.825 -14.186   0.185
  271   2HB   GLN  39          HB1       GLN  39  -4.302 -14.220  -1.504
  272   1HG   GLN  39          HG2       GLN  39  -2.193 -15.241  -2.109
  273   2HG   GLN  39          HG1       GLN  39  -1.643 -15.140  -0.438
  274   1HE2  GLN  39          HE21      GLN  39  -4.897 -16.006  -1.448
  275   2HE2  GLN  39          HE22      GLN  39  -4.821 -17.643  -0.895
  276    HA   PRO  40           HA       PRO  40  -5.413  -9.279  -1.500
  277   1HB   PRO  40          HB2       PRO  40  -7.588 -11.255  -2.078
  278   2HB   PRO  40          HB1       PRO  40  -7.343  -9.630  -2.734
  279   1HG   PRO  40          HG2       PRO  40  -6.684 -11.766  -4.167
  280   2HG   PRO  40          HG1       PRO  40  -5.657 -10.321  -4.171
  281   1HD   PRO  40          HD2       PRO  40  -5.219 -12.952  -2.857
  282   2HD   PRO  40          HD1       PRO  40  -4.035 -11.798  -3.502
  283    H    LEU  41           HN       LEU  41  -5.976  -8.452   0.386
  284    HA   LEU  41           HA       LEU  41  -6.720 -10.152   2.590
  285   1HB   LEU  41          HB2       LEU  41  -6.434  -7.144   2.442
  286   2HB   LEU  41          HB1       LEU  41  -6.718  -8.054   3.911
  287    HG   LEU  41           HG       LEU  41  -4.499  -9.260   3.345
  288   1HD1  LEU  41          HD11      LEU  41  -4.231  -6.793   1.639
  289   2HD1  LEU  41          HD12      LEU  41  -4.217  -8.469   1.087
  290   3HD1  LEU  41          HD13      LEU  41  -2.907  -7.861   2.100
  291   1HD2  LEU  41          HD21      LEU  41  -4.506  -6.363   4.187
  292   2HD2  LEU  41          HD22      LEU  41  -3.204  -7.517   4.475
  293   3HD2  LEU  41          HD23      LEU  41  -4.777  -7.754   5.237
  294    H    GLN  42           HN       GLN  42  -8.490  -8.924   4.079
  295    HA   GLN  42           HA       GLN  42 -10.929  -9.100   2.502
  296   1HB   GLN  42          HB2       GLN  42 -10.790 -10.445   4.524
  297   2HB   GLN  42          HB1       GLN  42 -10.425  -9.020   5.483
  298   1HG   GLN  42          HG2       GLN  42 -12.649  -8.145   5.065
  299   2HG   GLN  42          HG1       GLN  42 -13.015  -9.538   4.042
  300   1HE2  GLN  42          HE21      GLN  42 -14.740 -10.140   5.386
  301   2HE2  GLN  42          HE22      GLN  42 -14.481 -10.857   6.941
  302    H    VAL  43           HN       VAL  43 -12.110  -7.363   1.973
  303    HA   VAL  43           HA       VAL  43 -11.014  -4.767   2.565
  304    HB   VAL  43           HB       VAL  43 -13.479  -5.453   0.954
  305   1HG1  VAL  43          HG11      VAL  43 -13.159  -3.223  -0.035
  306   2HG1  VAL  43          HG12      VAL  43 -11.826  -2.930   1.082
  307   3HG1  VAL  43          HG13      VAL  43 -13.465  -3.140   1.700
  308   1HG2  VAL  43          HG21      VAL  43 -12.029  -5.171  -1.014
  309   2HG2  VAL  43          HG22      VAL  43 -11.508  -6.513   0.005
  310   3HG2  VAL  43          HG23      VAL  43 -10.637  -4.981   0.053
  311    H    LEU  44           HN       LEU  44 -11.397  -4.075   4.559
  312    HA   LEU  44           HA       LEU  44 -14.083  -4.293   5.684
  313   1HB   LEU  44          HB2       LEU  44 -11.532  -3.219   6.903
  314   2HB   LEU  44          HB1       LEU  44 -13.051  -3.453   7.746
  315    HG   LEU  44           HG       LEU  44 -11.314  -5.632   6.578
  316   1HD1  LEU  44          HD11      LEU  44 -10.971  -6.278   8.905
  317   2HD1  LEU  44          HD12      LEU  44 -11.931  -4.895   9.438
  318   3HD1  LEU  44          HD13      LEU  44 -10.397  -4.639   8.604
  319   1HD2  LEU  44          HD21      LEU  44 -13.896  -5.840   8.128
  320   2HD2  LEU  44          HD22      LEU  44 -12.878  -7.187   7.617
  321   3HD2  LEU  44          HD23      LEU  44 -13.690  -6.186   6.413
  322    H    LYS  45           HN       LYS  45 -15.338  -2.824   4.703
  323    HA   LYS  45           HA       LYS  45 -14.329  -0.216   4.009
  324   1HB   LYS  45          HB2       LYS  45 -16.659   0.123   3.114
  325   2HB   LYS  45          HB1       LYS  45 -15.765  -1.208   2.397
  326   1HG   LYS  45          HG2       LYS  45 -16.993  -2.808   3.703
  327   2HG   LYS  45          HG1       LYS  45 -17.803  -1.518   4.590
  328   1HD   LYS  45          HD2       LYS  45 -19.232  -2.497   2.839
  329   2HD   LYS  45          HD1       LYS  45 -18.917  -0.781   2.573
  330   1HE   LYS  45          HE2       LYS  45 -17.226  -1.326   0.920
  331   2HE   LYS  45          HE1       LYS  45 -17.454  -3.048   1.227
  332   1HZ   LYS  45          HZ1       LYS  45 -18.629  -2.234  -0.770
  333   2HZ   LYS  45          HZ2       LYS  45 -19.581  -1.237   0.220
  334   3HZ   LYS  45          HZ3       LYS  45 -19.669  -2.922   0.380
  335    H    ALA  46           HN       ALA  46 -14.551   1.588   5.096
  336    HA   ALA  46           HA       ALA  46 -16.673   1.789   7.135
  337   1HB   ALA  46          HB1       ALA  46 -14.448   1.789   8.172
  338   2HB   ALA  46          HB2       ALA  46 -15.231   3.359   8.348
  339   3HB   ALA  46          HB3       ALA  46 -13.964   3.136   7.141
  340    H    CYS  47           HN       CYS  47 -16.646   4.519   7.522
  341    HA   CYS  47           HA       CYS  47 -17.833   5.431   5.072
  342   1HB   CYS  47          HB2       CYS  47 -18.633   6.040   7.396
  343   2HB   CYS  47          HB1       CYS  47 -17.232   7.100   7.516
  344    HG   CYS  47           HG       CYS  47 -19.564   7.411   5.037
  345    H    GLY  48           HN       GLY  48 -16.150   5.408   3.578
  346   1HA   GLY  48          HA2       GLY  48 -14.866   6.955   2.283
  347   2HA   GLY  48          HA1       GLY  48 -14.367   7.737   3.777
  348    H    ALA  49           HN       ALA  49 -13.645   5.420   5.210
  349    HA   ALA  49           HA       ALA  49 -11.061   4.936   3.978
  350   1HB   ALA  49          HB1       ALA  49 -10.421   4.004   6.133
  351   2HB   ALA  49          HB2       ALA  49 -12.088   4.125   6.697
  352   3HB   ALA  49          HB3       ALA  49 -11.170   5.587   6.339
  353    H    VAL  50           HN       VAL  50 -10.474   3.100   3.019
  354    HA   VAL  50           HA       VAL  50 -12.120   0.709   3.475
  355    HB   VAL  50           HB       VAL  50 -11.282  -0.069   1.204
  356   1HG1  VAL  50          HG11      VAL  50 -13.570   0.665   1.556
  357   2HG1  VAL  50          HG12      VAL  50 -12.989   1.202  -0.021
  358   3HG1  VAL  50          HG13      VAL  50 -13.087   2.344   1.321
  359   1HG2  VAL  50          HG21      VAL  50 -10.649   1.699  -0.391
  360   2HG2  VAL  50          HG22      VAL  50  -9.459   1.501   0.894
  361   3HG2  VAL  50          HG23      VAL  50 -10.587   2.856   0.939
  362    H    ASP  51           HN       ASP  51 -11.069  -0.569   4.829
  363    HA   ASP  51           HA       ASP  51  -8.151  -0.516   4.873
  364   1HB   ASP  51          HB2       ASP  51 -10.213  -1.626   6.775
  365   2HB   ASP  51          HB1       ASP  51  -8.493  -1.953   6.953
  366    H    TYR  52           HN       TYR  52  -6.932  -2.095   4.080
  367    HA   TYR  52           HA       TYR  52  -8.152  -4.614   3.274
  368   1HB   TYR  52          HB2       TYR  52  -5.298  -3.628   3.033
  369   2HB   TYR  52          HB1       TYR  52  -5.877  -5.172   2.428
  370    HD1  TYR  52           HD2      TYR  52  -7.656  -5.153   0.613
  371    HD2  TYR  52           HD1      TYR  52  -5.445  -1.693   1.727
  372    HE1  TYR  52           HE2      TYR  52  -8.210  -4.113  -1.546
  373    HE2  TYR  52           HE1      TYR  52  -5.989  -0.646  -0.427
  374    HH   TYR  52           HH       TYR  52  -8.369  -1.826  -2.506
  375    H    PHE  53           HN       PHE  53  -8.520  -5.941   4.944
  376    HA   PHE  53           HA       PHE  53  -6.318  -6.583   6.753
  377   1HB   PHE  53          HB2       PHE  53  -7.688  -4.600   7.638
  378   2HB   PHE  53          HB1       PHE  53  -9.002  -5.750   7.855
  379    HD1  PHE  53           HD2      PHE  53  -5.654  -4.760   8.956
  380    HD2  PHE  53           HD1      PHE  53  -8.974  -7.331   9.648
  381    HE1  PHE  53           HE2      PHE  53  -4.745  -5.335  11.167
  382    HE2  PHE  53           HE1      PHE  53  -8.072  -7.909  11.862
  383    HZ   PHE  53           HZ       PHE  53  -5.954  -6.910  12.624
  384    H    CYS  54           HN       CYS  54  -6.249  -8.725   6.405
  385    HA   CYS  54           HA       CYS  54  -8.641 -10.183   5.783
  386   1HB   CYS  54          HB2       CYS  54  -6.917 -12.154   5.855
  387   2HB   CYS  54          HB1       CYS  54  -6.897 -11.007   4.525
  388    H    GLN  55           HN       GLN  55  -9.956 -10.233   7.512
  389    HA   GLN  55           HA       GLN  55  -8.895 -11.112  10.086
  390   1HB   GLN  55          HB2       GLN  55 -10.291  -9.145  10.153
  391   2HB   GLN  55          HB1       GLN  55 -11.572  -9.967   9.277
  392   1HG   GLN  55          HG2       GLN  55 -12.122  -9.784  11.619
  393   2HG   GLN  55          HG1       GLN  55 -11.905 -11.471  11.163
  394   1HE2  GLN  55          HE21      GLN  55  -9.269  -9.232  11.689
  395   2HE2  GLN  55          HE22      GLN  55  -8.670  -9.984  13.125
  396    H    ASN  56           HN       ASN  56 -11.705 -11.893   8.010
  397    HA   ASN  56           HA       ASN  56 -12.142 -14.375   9.416
  398   1HB   ASN  56          HB2       ASN  56 -13.437 -13.264   6.918
  399   2HB   ASN  56          HB1       ASN  56 -13.949 -14.736   7.739
  400   1HD2  ASN  56          HD21      ASN  56 -14.872 -14.573   9.824
  401   2HD2  ASN  56          HD22      ASN  56 -15.573 -13.082  10.369
  402    H    GLY  57           HN       GLY  57  -9.795 -13.607   7.440
  403   1HA   GLY  57          HA2       GLY  57  -9.294 -16.350   6.709
  404   2HA   GLY  57          HA1       GLY  57  -9.505 -15.266   5.333
  405    H    HIS  58           HN       HIS  58  -7.079 -16.614   5.885
  406    HA   HIS  58           HA       HIS  58  -4.835 -16.223   5.956
  407   1HB   HIS  58          HB2       HIS  58  -5.613 -13.303   6.092
  408   2HB   HIS  58          HB1       HIS  58  -3.967 -13.890   5.927
  409    HD2  HIS  58           HD2      HIS  58  -7.008 -15.099   3.720
  410    HE1  HIS  58           HE1      HIS  58  -4.167 -13.154   1.249
  411    HE2  HIS  58           HE2      HIS  58  -6.374 -14.361   1.322
  412    H    GLY  59           HN       GLY  59  -5.873 -13.481   7.940
  413   1HA   GLY  59          HA2       GLY  59  -5.856 -14.180  10.470
  414   2HA   GLY  59          HA1       GLY  59  -4.154 -14.442  10.099
  415    H    LEU  60           HN       LEU  60  -5.932 -12.364  11.638
  416    HA   LEU  60           HA       LEU  60  -5.703  -9.860  10.493
  417   1HB   LEU  60          HB2       LEU  60  -6.023  -8.926  12.645
  418   2HB   LEU  60          HB1       LEU  60  -6.924 -10.427  12.610
  419    HG   LEU  60           HG       LEU  60  -4.199 -10.167  13.889
  420   1HD1  LEU  60          HD11      LEU  60  -5.387 -10.053  16.024
  421   2HD1  LEU  60          HD12      LEU  60  -6.924  -9.972  15.163
  422   3HD1  LEU  60          HD13      LEU  60  -5.751  -8.664  15.001
  423   1HD2  LEU  60          HD21      LEU  60  -4.861 -12.444  13.278
  424   2HD2  LEU  60          HD22      LEU  60  -6.367 -12.247  14.173
  425   3HD2  LEU  60          HD23      LEU  60  -4.824 -12.229  15.028
  426    H    ILE  61           HN       ILE  61  -4.129  -8.482  10.101
  427    HA   ILE  61           HA       ILE  61  -1.410  -9.199  10.931
  428    HB   ILE  61           HB       ILE  61  -2.271  -7.232   8.800
  429   1HG1  ILE  61          HG12      ILE  61  -2.978  -9.508   8.214
  430   2HG1  ILE  61          HG11      ILE  61  -1.677  -8.959   7.166
  431   1HG2  ILE  61          HG21      ILE  61  -0.052  -6.789   9.688
  432   2HG2  ILE  61          HG22      ILE  61   0.050  -7.395   8.035
  433   3HG2  ILE  61          HG23      ILE  61   0.417  -8.463   9.390
  434   1HD1  ILE  61          HD11      ILE  61  -1.372 -10.816   9.514
  435   2HD1  ILE  61          HD12      ILE  61  -0.082 -10.290   8.431
  436   3HD1  ILE  61          HD13      ILE  61  -1.403 -11.287   7.815
  437    H    SER  62           HN       SER  62  -0.319  -7.940  12.322
  438    HA   SER  62           HA       SER  62  -1.461  -5.881  13.785
  439   1HB   SER  62          HB2       SER  62   1.496  -6.151  13.230
  440   2HB   SER  62          HB1       SER  62   0.719  -5.523  14.685
  441    HG   SER  62           HG       SER  62   0.167  -7.549  15.291
  442    H    LYS  63           HN       LYS  63  -1.535  -3.658  13.541
  443    HA   LYS  63           HA       LYS  63  -1.578  -2.871  10.786
  444   1HB   LYS  63          HB2       LYS  63  -2.302  -1.391  13.310
  445   2HB   LYS  63          HB1       LYS  63  -2.486  -0.712  11.697
  446   1HG   LYS  63          HG2       LYS  63  -3.952  -2.650  11.134
  447   2HG   LYS  63          HG1       LYS  63  -3.878  -3.129  12.830
  448   1HD   LYS  63          HD2       LYS  63  -4.885  -1.016  13.493
  449   2HD   LYS  63          HD1       LYS  63  -4.889  -0.469  11.815
  450   1HE   LYS  63          HE2       LYS  63  -6.367  -2.373  11.248
  451   2HE   LYS  63          HE1       LYS  63  -6.431  -2.793  12.959
  452   1HZ   LYS  63          HZ1       LYS  63  -7.330  -0.196  11.814
  453   2HZ   LYS  63          HZ2       LYS  63  -7.485  -0.694  13.431
  454   3HZ   LYS  63          HZ3       LYS  63  -8.357  -1.485  12.212
  455    H    LYS  64           HN       LYS  64   0.996  -3.028  12.698
  456    HA   LYS  64           HA       LYS  64   2.201  -0.575  11.664
  457   1HB   LYS  64          HB2       LYS  64   3.041  -2.560  13.741
  458   2HB   LYS  64          HB1       LYS  64   4.251  -1.548  12.960
  459   1HG   LYS  64          HG2       LYS  64   2.926   0.444  13.641
  460   2HG   LYS  64          HG1       LYS  64   1.876  -0.635  14.562
  461   1HD   LYS  64          HD2       LYS  64   3.589  -1.211  16.053
  462   2HD   LYS  64          HD1       LYS  64   4.849  -0.608  14.973
  463   1HE   LYS  64          HE2       LYS  64   2.783   1.099  16.358
  464   2HE   LYS  64          HE1       LYS  64   4.448   0.882  16.898
  465   1HZ   LYS  64          HZ1       LYS  64   3.656   2.015  14.264
  466   2HZ   LYS  64          HZ2       LYS  64   5.235   1.878  14.870
  467   3HZ   LYS  64          HZ3       LYS  64   4.131   2.929  15.614
  468    H    ARG  65           HN       ARG  65   2.957  -4.069  11.763
  469    HA   ARG  65           HA       ARG  65   4.727  -3.730   9.499
  470   1HB   ARG  65          HB2       ARG  65   5.362  -5.256  11.317
  471   2HB   ARG  65          HB1       ARG  65   3.949  -6.247  10.978
  472   1HG   ARG  65          HG2       ARG  65   4.823  -7.041   8.980
  473   2HG   ARG  65          HG1       ARG  65   5.977  -5.713   8.846
  474   1HD   ARG  65          HD2       ARG  65   6.086  -7.814  11.001
  475   2HD   ARG  65          HD1       ARG  65   6.963  -7.935   9.475
  476    HE   ARG  65           HE       ARG  65   7.516  -5.451  10.725
  477   1HH1  ARG  65          HH11      ARG  65   8.187  -8.873  11.070
  478   2HH1  ARG  65          HH12      ARG  65   9.761  -8.626  11.755
  479   1HH2  ARG  65          HH21      ARG  65   9.597  -5.126  11.650
  480   2HH2  ARG  65          HH22      ARG  65  10.561  -6.509  12.084
  481    H    VAL  66           HN       VAL  66   2.764  -2.878   8.359
  482    HA   VAL  66           HA       VAL  66   1.369  -5.049   6.935
  483    HB   VAL  66           HB       VAL  66   0.783  -2.077   6.878
  484   1HG1  VAL  66          HG11      VAL  66   0.064  -3.256   4.867
  485   2HG1  VAL  66          HG12      VAL  66  -1.323  -2.744   5.827
  486   3HG1  VAL  66          HG13      VAL  66  -0.805  -4.429   5.857
  487   1HG2  VAL  66          HG21      VAL  66  -0.621  -4.271   8.397
  488   2HG2  VAL  66          HG22      VAL  66  -1.162  -2.597   8.275
  489   3HG2  VAL  66          HG23      VAL  66   0.351  -2.977   9.100
  490    H    ASN  67           HN       ASN  67   1.635  -5.243   4.714
  491    HA   ASN  67           HA       ASN  67   4.067  -4.048   3.685
  492   1HB   ASN  67          HB2       ASN  67   3.586  -6.461   3.340
  493   2HB   ASN  67          HB1       ASN  67   2.181  -6.026   2.377
  494   1HD2  ASN  67          HD21      ASN  67   5.315  -4.406   2.322
  495   2HD2  ASN  67          HD22      ASN  67   5.705  -4.839   0.691
  496    H    PHE  68           HN       PHE  68   3.213  -1.867   3.673
  497    HA   PHE  68           HA       PHE  68   1.164  -1.129   1.825
  498   1HB   PHE  68          HB2       PHE  68   3.364   0.515   3.102
  499   2HB   PHE  68          HB1       PHE  68   2.067   1.187   2.121
  500    HD1  PHE  68           HD1      PHE  68  -0.298   0.992   2.927
  501    HD2  PHE  68           HD2      PHE  68   3.046   0.030   5.382
  502    HE1  PHE  68           HE1      PHE  68  -1.712   1.193   4.931
  503    HE2  PHE  68           HE2      PHE  68   1.633   0.228   7.386
  504    HZ   PHE  68           HZ       PHE  68  -0.748   0.812   7.164
  505    H    VAL  69           HN       VAL  69   1.449  -1.669  -0.245
  506    HA   VAL  69           HA       VAL  69   4.085  -1.101  -1.435
  507    HB   VAL  69           HB       VAL  69   3.846  -3.503  -1.077
  508   1HG1  VAL  69          HG11      VAL  69   1.449  -3.724  -1.093
  509   2HG1  VAL  69          HG12      VAL  69   2.146  -4.789  -2.315
  510   3HG1  VAL  69          HG13      VAL  69   1.385  -3.272  -2.797
  511   1HG2  VAL  69          HG21      VAL  69   3.638  -2.756  -3.992
  512   2HG2  VAL  69          HG22      VAL  69   4.281  -4.272  -3.360
  513   3HG2  VAL  69          HG23      VAL  69   5.110  -2.752  -3.020
  514    H    ILE  70           HN       ILE  70   4.138  -0.173  -3.419
  515    HA   ILE  70           HA       ILE  70   1.674   0.737  -4.630
  516    HB   ILE  70           HB       ILE  70   4.466   0.961  -5.781
  517   1HG1  ILE  70          HG12      ILE  70   3.026   2.966  -4.024
  518   2HG1  ILE  70          HG11      ILE  70   4.353   1.940  -3.493
  519   1HG2  ILE  70          HG21      ILE  70   3.525   2.868  -7.000
  520   2HG2  ILE  70          HG22      ILE  70   1.952   2.564  -6.259
  521   3HG2  ILE  70          HG23      ILE  70   2.656   1.375  -7.357
  522   1HD1  ILE  70          HD11      ILE  70   5.836   3.021  -5.103
  523   2HD1  ILE  70          HD12      ILE  70   5.121   4.190  -3.993
  524   3HD1  ILE  70          HD13      ILE  70   4.506   4.046  -5.640
  525    H    SER  71           HN       SER  71   0.687  -1.217  -5.149
  526    HA   SER  71           HA       SER  71   1.976  -3.381  -6.396
  527   1HB   SER  71          HB2       SER  71  -0.979  -2.773  -6.482
  528   2HB   SER  71          HB1       SER  71  -0.201  -4.352  -6.583
  529    HG   SER  71           HG       SER  71  -1.135  -3.498  -4.461
  530    H    ASP  72           HN       ASP  72   2.801  -3.386  -8.388
  531    HA   ASP  72           HA       ASP  72   1.632  -1.895 -10.548
  532   1HB   ASP  72          HB2       ASP  72   4.022  -2.305 -10.626
  533   2HB   ASP  72          HB1       ASP  72   3.771  -4.045 -10.538
  534    H    GLN  73           HN       GLN  73  -0.491  -2.606 -10.523
  535    HA   GLN  73           HA       GLN  73  -0.889  -5.312 -11.616
  536   1HB   GLN  73          HB2       GLN  73  -1.835  -4.943  -9.317
  537   2HB   GLN  73          HB1       GLN  73  -2.876  -3.702  -9.998
  538   1HG   GLN  73          HG2       GLN  73  -4.065  -5.801  -9.716
  539   2HG   GLN  73          HG1       GLN  73  -3.951  -5.352 -11.417
  540   1HE2  GLN  73          HE21      GLN  73  -4.219  -7.418 -12.173
  541   2HE2  GLN  73          HE22      GLN  73  -3.022  -8.652 -11.984
  542    H    LEU  74           HN       LEU  74  -0.680  -2.233 -12.449
  543    HA   LEU  74           HA       LEU  74  -2.976  -2.219 -14.271
  544   1HB   LEU  74          HB2       LEU  74  -1.064   0.002 -13.530
  545   2HB   LEU  74          HB1       LEU  74  -2.438   0.163 -14.607
  546    HG   LEU  74           HG       LEU  74  -2.593  -0.501 -11.665
  547   1HD1  LEU  74          HD11      LEU  74  -1.891   1.791 -12.037
  548   2HD1  LEU  74          HD12      LEU  74  -3.553   1.741 -11.447
  549   3HD1  LEU  74          HD13      LEU  74  -3.233   2.038 -13.154
  550   1HD2  LEU  74          HD21      LEU  74  -4.764   0.028 -13.688
  551   2HD2  LEU  74          HD22      LEU  74  -5.003  -0.165 -11.952
  552   3HD2  LEU  74          HD23      LEU  74  -4.409  -1.517 -12.917
  553    H    GLU  75           HN       GLU  75  -2.699  -2.071 -16.473
  554    HA   GLU  75           HA       GLU  75  -0.352  -3.257 -17.530
  555   1HB   GLU  75          HB2       GLU  75  -2.587  -1.807 -18.971
  556   2HB   GLU  75          HB1       GLU  75  -1.352  -2.783 -19.749
  557   1HG   GLU  75          HG2       GLU  75  -3.216  -4.170 -19.650
  558   2HG   GLU  75          HG1       GLU  75  -2.206  -4.704 -18.309
  559    H    HIS  76           HN       HIS  76   1.554  -2.239 -17.611
  560    HA   HIS  76           HA       HIS  76   1.539   0.622 -18.290
  561   1HB   HIS  76          HB2       HIS  76   3.771   0.769 -17.295
  562   2HB   HIS  76          HB1       HIS  76   2.602   0.148 -16.143
  563    HD1  HIS  76           HD1      HIS  76   3.356  -1.827 -14.847
  564    HD2  HIS  76           HD2      HIS  76   5.401  -1.457 -18.463
  565    HE1  HIS  76           HE1      HIS  76   5.131  -3.602 -14.816
  566    HE2  HIS  76           HE2      HIS  76   6.338  -3.389 -17.013
  567    H    HIS  77           HN       HIS  77   1.522  -1.990 -19.920
  568    HA   HIS  77           HA       HIS  77   2.009  -2.467 -22.066
  569   1HB   HIS  77          HB2       HIS  77   3.342   0.236 -21.995
  570   2HB   HIS  77          HB1       HIS  77   3.332  -0.778 -23.434
  571    HD1  HIS  77           HD1      HIS  77   1.838   0.687 -24.861
  572    HD2  HIS  77           HD2      HIS  77   0.143  -0.292 -21.188
  573    HE1  HIS  77           HE1      HIS  77  -0.562   1.437 -24.992
  574    HE2  HIS  77           HE2      HIS  77  -1.590   0.746 -22.796
  575    H    HIS  78           HN       HIS  78   3.224  -4.124 -22.436
  576    HA   HIS  78           HA       HIS  78   5.807  -4.537 -21.353
  577   1HB   HIS  78          HB2       HIS  78   4.264  -6.367 -22.063
  578   2HB   HIS  78          HB1       HIS  78   4.529  -5.901 -23.738
  579    HD1  HIS  78           HD1      HIS  78   5.911  -7.698 -24.732
  580    HD2  HIS  78           HD2      HIS  78   7.226  -6.627 -20.932
  581    HE1  HIS  78           HE1      HIS  78   8.017  -9.028 -24.338
  582    HE2  HIS  78           HE2      HIS  78   8.892  -8.218 -22.110
  583    H    HIS  79           HN       HIS  79   4.600  -3.417 -24.475
  584    HA   HIS  79           HA       HIS  79   7.289  -2.904 -25.446
  585   1HB   HIS  79          HB2       HIS  79   4.551  -2.734 -26.591
  586   2HB   HIS  79          HB1       HIS  79   5.759  -1.636 -27.253
  587    HD1  HIS  79           HD1      HIS  79   6.986  -2.555 -29.173
  588    HD2  HIS  79           HD2      HIS  79   5.636  -5.558 -26.629
  589    HE1  HIS  79           HE1      HIS  79   7.661  -4.721 -30.263
  590    HE2  HIS  79           HE2      HIS  79   6.953  -6.520 -28.643
  591    H    HIS  80           HN       HIS  80   8.181  -1.424 -24.102
  592    HA   HIS  80           HA       HIS  80   7.252   1.308 -24.473
  593   1HB   HIS  80          HB2       HIS  80   7.401   1.890 -22.123
  594   2HB   HIS  80          HB1       HIS  80   6.280   0.547 -22.294
  595    HD1  HIS  80           HD1      HIS  80   6.855  -1.632 -21.108
  596    HD2  HIS  80           HD2      HIS  80   9.871   1.226 -20.857
  597    HE1  HIS  80           HE1      HIS  80   8.509  -2.531 -19.435
  598    HE2  HIS  80           HE2      HIS  80  10.337  -0.791 -19.303
  599    H    HIS  81           HN       HIS  81   8.997   2.874 -23.704
  600    HA   HIS  81           HA       HIS  81  11.600   1.661 -24.348
  601   1HB   HIS  81          HB2       HIS  81  10.744   3.450 -25.876
  602   2HB   HIS  81          HB1       HIS  81  10.809   4.577 -24.526
  603    HD1  HIS  81           HD1      HIS  81  13.109   2.410 -26.616
  604    HD2  HIS  81           HD2      HIS  81  13.238   5.778 -24.173
  605    HE1  HIS  81           HE1      HIS  81  15.446   3.322 -26.831
  606    HE2  HIS  81           HE2      HIS  81  15.475   5.411 -25.422
  Start of MODEL   10
    1   1H    MET   1          HT1       MET   1  15.335   1.500   5.658
    2   2H    MET   1          HT2       MET   1  15.311  -0.194   5.708
    3   3H    MET   1          HT3       MET   1  13.948   0.688   6.202
    4    HA   MET   1           HA       MET   1  15.061   0.567   3.458
    5   1HB   MET   1          HB2       MET   1  12.493  -0.541   4.613
    6   2HB   MET   1          HB1       MET   1  12.916  -0.547   2.908
    7   1HG   MET   1          HG2       MET   1  14.847  -1.972   3.408
    8   2HG   MET   1          HG1       MET   1  14.382  -1.986   5.107
    9   1HE   MET   1          HE1       MET   1  10.847  -3.762   4.854
   10   2HE   MET   1          HE2       MET   1  11.129  -2.034   4.654
   11   3HE   MET   1          HE3       MET   1  11.969  -2.924   5.923
   12    H    GLU   2           HN       GLU   2  12.601   1.851   5.644
   13    HA   GLU   2           HA       GLU   2  11.281   3.696   5.583
   14   1HB   GLU   2          HB2       GLU   2  13.056   4.688   3.343
   15   2HB   GLU   2          HB1       GLU   2  12.004   5.656   4.362
   16   1HG   GLU   2          HG2       GLU   2  13.412   5.062   6.303
   17   2HG   GLU   2          HG1       GLU   2  14.495   4.203   5.206
   18    H    ILE   3           HN       ILE   3  10.062   5.181   3.851
   19    HA   ILE   3           HA       ILE   3   9.239   3.505   1.581
   20    HB   ILE   3           HB       ILE   3   7.355   5.228   1.366
   21   1HG1  ILE   3          HG12      ILE   3   8.180   5.835   4.220
   22   2HG1  ILE   3          HG11      ILE   3   8.355   6.933   2.855
   23   1HG2  ILE   3          HG21      ILE   3   7.442   3.422   3.780
   24   2HG2  ILE   3          HG22      ILE   3   6.974   2.966   2.141
   25   3HG2  ILE   3          HG23      ILE   3   5.979   4.095   3.061
   26   1HD1  ILE   3          HD11      ILE   3   5.941   7.020   2.597
   27   2HD1  ILE   3          HD12      ILE   3   6.423   7.489   4.228
   28   3HD1  ILE   3          HD13      ILE   3   5.748   5.886   3.935
   29    H    THR   4           HN       THR   4  10.607   3.966  -0.069
   30    HA   THR   4           HA       THR   4  11.549   6.753  -0.244
   31    HB   THR   4           HB       THR   4  13.210   4.383  -1.061
   32    HG1  THR   4           HG1      THR   4  12.401   4.601   1.320
   33   1HG2  THR   4          HG21      THR   4  13.880   7.187  -0.171
   34   2HG2  THR   4          HG22      THR   4  13.926   6.585  -1.829
   35   3HG2  THR   4          HG23      THR   4  15.047   5.945  -0.624
   36    H    CYS   5           HN       CYS   5  11.097   7.754  -2.072
   37    HA   CYS   5           HA       CYS   5  10.252   6.484  -4.463
   38   1HB   CYS   5          HB2       CYS   5   9.680   8.824  -3.911
   39   2HB   CYS   5          HB1       CYS   5  11.376   9.269  -4.036
   40    HA   PRO   6           HA       PRO   6  14.107   4.705  -5.614
   41   1HB   PRO   6          HB2       PRO   6  13.565   4.621  -8.355
   42   2HB   PRO   6          HB1       PRO   6  13.161   3.375  -7.173
   43   1HG   PRO   6          HG2       PRO   6  11.449   5.530  -8.319
   44   2HG   PRO   6          HG1       PRO   6  11.020   3.867  -7.875
   45   1HD   PRO   6          HD2       PRO   6  10.324   5.940  -6.336
   46   2HD   PRO   6          HD1       PRO   6  10.819   4.389  -5.623
   47    H    VAL   7           HN       VAL   7  12.938   7.459  -7.536
   48    HA   VAL   7           HA       VAL   7  15.568   7.950  -8.617
   49    HB   VAL   7           HB       VAL   7  13.476   8.348  -9.918
   50   1HG1  VAL   7          HG11      VAL   7  12.094   9.287  -8.159
   51   2HG1  VAL   7          HG12      VAL   7  12.192  10.391  -9.529
   52   3HG1  VAL   7          HG13      VAL   7  13.137  10.705  -8.074
   53   1HG2  VAL   7          HG21      VAL   7  15.540   9.369 -10.648
   54   2HG2  VAL   7          HG22      VAL   7  15.283  10.734  -9.561
   55   3HG2  VAL   7          HG23      VAL   7  14.197  10.477 -10.927
   56    H    CYS   8           HN       CYS   8  14.072   8.707  -5.706
   57    HA   CYS   8           HA       CYS   8  15.462  11.284  -5.469
   58   1HB   CYS   8          HB2       CYS   8  13.261  10.108  -3.769
   59   2HB   CYS   8          HB1       CYS   8  14.020  11.673  -3.499
   60    H    HIS   9           HN       HIS   9  14.931   8.258  -3.667
   61    HA   HIS   9           HA       HIS   9  15.811   7.485  -1.719
   62   1HB   HIS   9          HB2       HIS   9  17.797   7.315  -3.321
   63   2HB   HIS   9          HB1       HIS   9  18.404   8.784  -2.559
   64    HD1  HIS   9           HD1      HIS   9  17.521   5.201  -1.698
   65    HD2  HIS   9           HD2      HIS   9  19.731   8.383  -0.182
   66    HE1  HIS   9           HE1      HIS   9  18.769   4.281   0.280
   67    HE2  HIS   9           HE2      HIS   9  19.945   6.266   1.287
   68    H    HIS  10           HN       HIS  10  14.406   9.757  -1.443
   69    HA   HIS  10           HA       HIS  10  15.816  11.212   0.685
   70   1HB   HIS  10          HB2       HIS  10  14.358  12.297  -1.688
   71   2HB   HIS  10          HB1       HIS  10  14.199  13.158  -0.163
   72    HD1  HIS  10           HD1      HIS  10  16.965  11.981  -2.519
   73    HD2  HIS  10           HD2      HIS  10  16.204  14.897   0.351
   74    HE1  HIS  10           HE1      HIS  10  18.934  13.540  -2.598
   75    HE2  HIS  10           HE2      HIS  10  18.381  15.371  -0.958
   76    H    ALA  11           HN       ALA  11  13.920   8.953   0.616
   77    HA   ALA  11           HA       ALA  11  12.115   8.147   1.702
   78   1HB   ALA  11          HB1       ALA  11  13.150   9.244   3.629
   79   2HB   ALA  11          HB2       ALA  11  11.391   9.251   3.738
   80   3HB   ALA  11          HB3       ALA  11  12.251  10.719   3.270
   81    H    LEU  12           HN       LEU  12   9.808   9.035   2.624
   82    HA   LEU  12           HA       LEU  12   8.571  10.860   0.719
   83   1HB   LEU  12          HB2       LEU  12   7.724   7.989   1.129
   84   2HB   LEU  12          HB1       LEU  12   6.674   9.203   0.431
   85    HG   LEU  12           HG       LEU  12   9.321   8.357  -0.751
   86   1HD1  LEU  12          HD11      LEU  12   6.505   7.602  -1.528
   87   2HD1  LEU  12          HD12      LEU  12   7.715   6.529  -0.825
   88   3HD1  LEU  12          HD13      LEU  12   7.965   7.205  -2.435
   89   1HD2  LEU  12          HD21      LEU  12   8.523   9.576  -2.719
   90   2HD2  LEU  12          HD22      LEU  12   8.679  10.635  -1.318
   91   3HD2  LEU  12          HD23      LEU  12   7.087  10.074  -1.824
   92    H    GLU  13           HN       GLU  13   6.339  11.413   1.409
   93    HA   GLU  13           HA       GLU  13   5.961  11.017   4.303
   94   1HB   GLU  13          HB2       GLU  13   6.452  13.424   3.064
   95   2HB   GLU  13          HB1       GLU  13   4.695  13.392   3.124
   96   1HG   GLU  13          HG2       GLU  13   6.582  13.144   5.454
   97   2HG   GLU  13          HG1       GLU  13   5.565  14.527   5.058
   98    H    ARG  14           HN       ARG  14   4.096  10.075   4.853
   99    HA   ARG  14           HA       ARG  14   2.203   9.379   2.793
  100   1HB   ARG  14          HB2       ARG  14   2.753   7.736   4.507
  101   2HB   ARG  14          HB1       ARG  14   2.197   8.830   5.766
  102   1HG   ARG  14          HG2       ARG  14  -0.080   8.712   4.824
  103   2HG   ARG  14          HG1       ARG  14   0.502   7.548   3.633
  104   1HD   ARG  14          HD2       ARG  14  -0.587   6.439   5.521
  105   2HD   ARG  14          HD1       ARG  14   1.119   6.010   5.411
  106    HE   ARG  14           HE       ARG  14   1.393   7.830   7.192
  107   1HH1  ARG  14          HH11      ARG  14  -1.453   5.810   6.899
  108   2HH1  ARG  14          HH12      ARG  14  -1.815   5.861   8.595
  109   1HH2  ARG  14          HH21      ARG  14   0.913   7.890   9.426
  110   2HH2  ARG  14          HH22      ARG  14  -0.490   7.038  10.020
  111    H    ASN  15           HN       ASN  15   0.705  10.725   2.152
  112    HA   ASN  15           HA       ASN  15  -0.031  13.032   3.721
  113   1HB   ASN  15          HB2       ASN  15   0.292  13.036   1.217
  114   2HB   ASN  15          HB1       ASN  15  -1.193  12.102   1.086
  115   1HD2  ASN  15          HD21      ASN  15  -0.596  14.699   3.379
  116   2HD2  ASN  15          HD22      ASN  15  -1.765  15.794   2.719
  117    H    GLY  16           HN       GLY  16  -1.136   9.865   3.349
  118   1HA   GLY  16          HA2       GLY  16  -2.899   9.618   5.302
  119   2HA   GLY  16          HA1       GLY  16  -3.887  10.454   4.108
  120    H    ASP  17           HN       ASP  17  -4.127   9.455   2.011
  121    HA   ASP  17           HA       ASP  17  -4.078   6.520   2.176
  122   1HB   ASP  17          HB2       ASP  17  -5.706   6.570   0.321
  123   2HB   ASP  17          HB1       ASP  17  -6.277   7.492   1.707
  124    H    THR  18           HN       THR  18  -2.522   9.164   0.780
  125    HA   THR  18           HA       THR  18  -1.199   7.389  -1.158
  126    HB   THR  18           HB       THR  18  -0.711   9.466  -2.498
  127    HG1  THR  18           HG1      THR  18  -2.670  10.571  -0.733
  128   1HG2  THR  18          HG21      THR  18  -2.463   7.922  -3.195
  129   2HG2  THR  18          HG22      THR  18  -2.943   9.586  -3.528
  130   3HG2  THR  18          HG23      THR  18  -3.622   8.734  -2.141
  131    H    ALA  19           HN       ALA  19   1.029   8.103  -1.701
  132    HA   ALA  19           HA       ALA  19   2.369   9.350   0.610
  133   1HB   ALA  19          HB1       ALA  19   4.405   8.203  -0.135
  134   2HB   ALA  19          HB2       ALA  19   3.514   7.493  -1.482
  135   3HB   ALA  19          HB3       ALA  19   3.104   7.054   0.176
  136    H    HIS  20           HN       HIS  20   3.234  11.307   0.287
  137    HA   HIS  20           HA       HIS  20   3.082  12.358  -2.442
  138   1HB   HIS  20          HB2       HIS  20   1.856  13.517  -0.578
  139   2HB   HIS  20          HB1       HIS  20   3.420  13.912   0.130
  140    HD1  HIS  20           HD1      HIS  20   1.213  14.718  -2.796
  141    HD2  HIS  20           HD2      HIS  20   4.774  16.022  -1.085
  142    HE1  HIS  20           HE1      HIS  20   1.814  16.844  -4.004
  143    HE2  HIS  20           HE2      HIS  20   3.884  17.698  -2.845
  144    H    CYS  21           HN       CYS  21   4.849  12.598  -3.586
  145    HA   CYS  21           HA       CYS  21   7.455  12.583  -2.280
  146   1HB   CYS  21          HB2       CYS  21   6.771  11.265  -4.435
  147   2HB   CYS  21          HB1       CYS  21   7.006  12.813  -5.246
  148    H    GLU  22           HN       GLU  22   8.217  14.513  -1.618
  149    HA   GLU  22           HA       GLU  22   7.284  16.971  -2.764
  150   1HB   GLU  22          HB2       GLU  22   7.914  16.692  -0.351
  151   2HB   GLU  22          HB1       GLU  22   9.593  16.566  -0.857
  152   1HG   GLU  22          HG2       GLU  22   8.885  18.817  -0.038
  153   2HG   GLU  22          HG1       GLU  22   9.623  18.796  -1.640
  154    H    THR  23           HN       THR  23  10.542  15.524  -2.518
  155    HA   THR  23           HA       THR  23  11.640  17.009  -4.659
  156    HB   THR  23           HB       THR  23  13.302  15.020  -4.707
  157    HG1  THR  23           HG1      THR  23  12.595  14.323  -2.158
  158   1HG2  THR  23          HG21      THR  23  13.798  17.142  -3.612
  159   2HG2  THR  23          HG22      THR  23  14.403  15.795  -2.649
  160   3HG2  THR  23          HG23      THR  23  12.919  16.621  -2.174
  161    H    CYS  24           HN       CYS  24  11.143  16.823  -6.766
  162    HA   CYS  24           HA       CYS  24   9.871  16.302  -8.547
  163   1HB   CYS  24          HB2       CYS  24  10.149  14.231  -9.580
  164   2HB   CYS  24          HB1       CYS  24  11.590  14.363  -8.589
  165    H    ALA  25           HN       ALA  25   7.911  16.978  -8.133
  166    HA   ALA  25           HA       ALA  25   6.301  15.958  -6.032
  167   1HB   ALA  25          HB1       ALA  25   5.564  17.876  -8.235
  168   2HB   ALA  25          HB2       ALA  25   6.269  18.313  -6.678
  169   3HB   ALA  25          HB3       ALA  25   4.658  17.598  -6.748
  170    H    LYS  26           HN       LYS  26   5.682  13.901  -6.309
  171    HA   LYS  26           HA       LYS  26   3.420  13.561  -8.071
  172   1HB   LYS  26          HB2       LYS  26   4.187  11.339  -8.883
  173   2HB   LYS  26          HB1       LYS  26   5.149  12.671  -9.503
  174   1HG   LYS  26          HG2       LYS  26   6.952  12.155  -8.034
  175   2HG   LYS  26          HG1       LYS  26   5.970  10.984  -7.152
  176   1HD   LYS  26          HD2       LYS  26   7.487   9.844  -8.670
  177   2HD   LYS  26          HD1       LYS  26   5.815   9.603  -9.172
  178   1HE   LYS  26          HE2       LYS  26   6.143  11.505 -10.790
  179   2HE   LYS  26          HE1       LYS  26   7.860  11.452 -10.389
  180   1HZ   LYS  26          HZ1       LYS  26   6.241   9.290 -11.627
  181   2HZ   LYS  26          HZ2       LYS  26   7.833   9.081 -11.085
  182   3HZ   LYS  26          HZ3       LYS  26   7.506  10.162 -12.348
  183    H    ASP  27           HN       ASP  27   1.991  11.934  -7.329
  184    HA   ASP  27           HA       ASP  27   2.572  11.083  -4.576
  185   1HB   ASP  27          HB2       ASP  27   0.094  11.054  -4.249
  186   2HB   ASP  27          HB1       ASP  27   0.752  12.655  -4.567
  187    H    PHE  28           HN       PHE  28   1.945   9.041  -3.912
  188    HA   PHE  28           HA       PHE  28   1.393   7.140  -6.098
  189   1HB   PHE  28          HB2       PHE  28   3.019   6.647  -3.591
  190   2HB   PHE  28          HB1       PHE  28   2.728   5.489  -4.882
  191    HD1  PHE  28           HD2      PHE  28   3.701   5.943  -7.157
  192    HD2  PHE  28           HD1      PHE  28   4.785   8.177  -3.701
  193    HE1  PHE  28           HE2      PHE  28   5.747   6.704  -8.294
  194    HE2  PHE  28           HE1      PHE  28   6.831   8.944  -4.832
  195    HZ   PHE  28           HZ       PHE  28   7.314   8.206  -7.132
  196    H    SER  29           HN       SER  29  -0.420   5.958  -5.854
  197    HA   SER  29           HA       SER  29  -2.005   6.153  -3.482
  198   1HB   SER  29          HB2       SER  29  -2.288   4.307  -5.868
  199   2HB   SER  29          HB1       SER  29  -3.513   4.576  -4.629
  200    HG   SER  29           HG       SER  29  -2.771   6.950  -5.542
  201    H    LEU  30           HN       LEU  30  -1.935   4.894  -1.714
  202    HA   LEU  30           HA       LEU  30  -0.043   2.660  -1.766
  203   1HB   LEU  30          HB2       LEU  30  -1.175   4.221   0.555
  204   2HB   LEU  30          HB1       LEU  30  -0.055   2.880   0.704
  205    HG   LEU  30           HG       LEU  30   0.513   5.539  -0.612
  206   1HD1  LEU  30          HD11      LEU  30   1.583   4.293   1.913
  207   2HD1  LEU  30          HD12      LEU  30   0.438   5.632   1.823
  208   3HD1  LEU  30          HD13      LEU  30   2.084   5.837   1.224
  209   1HD2  LEU  30          HD21      LEU  30   1.662   3.724  -1.772
  210   2HD2  LEU  30          HD22      LEU  30   2.305   3.140  -0.237
  211   3HD2  LEU  30          HD23      LEU  30   2.803   4.714  -0.860
  212    H    GLN  31           HN       GLN  31  -0.605   0.643  -1.344
  213    HA   GLN  31           HA       GLN  31  -3.415   0.112  -0.623
  214   1HB   GLN  31          HB2       GLN  31  -2.924  -0.533  -2.933
  215   2HB   GLN  31          HB1       GLN  31  -1.559  -1.497  -2.391
  216   1HG   GLN  31          HG2       GLN  31  -3.111  -2.948  -1.151
  217   2HG   GLN  31          HG1       GLN  31  -4.461  -2.005  -1.780
  218   1HE2  GLN  31          HE21      GLN  31  -3.827  -4.830  -2.120
  219   2HE2  GLN  31          HE22      GLN  31  -3.718  -5.092  -3.823
  220    H    ALA  32           HN       ALA  32  -3.618  -0.780   1.329
  221    HA   ALA  32           HA       ALA  32  -1.459  -1.835   2.825
  222   1HB   ALA  32          HB1       ALA  32  -3.297  -0.952   4.038
  223   2HB   ALA  32          HB2       ALA  32  -3.308  -2.693   4.337
  224   3HB   ALA  32          HB3       ALA  32  -4.444  -1.983   3.190
  225    H    LEU  33           HN       LEU  33  -0.453  -3.692   2.447
  226    HA   LEU  33           HA       LEU  33  -2.023  -5.957   1.417
  227   1HB   LEU  33          HB2       LEU  33  -0.504  -4.863  -0.271
  228   2HB   LEU  33          HB1       LEU  33   0.851  -5.350   0.729
  229    HG   LEU  33           HG       LEU  33   0.244  -7.713   0.394
  230   1HD1  LEU  33          HD11      LEU  33  -1.853  -6.616  -1.476
  231   2HD1  LEU  33          HD12      LEU  33  -2.162  -7.405   0.071
  232   3HD1  LEU  33          HD13      LEU  33  -1.442  -8.317  -1.257
  233   1HD2  LEU  33          HD21      LEU  33   1.858  -6.655  -1.090
  234   2HD2  LEU  33          HD22      LEU  33   0.553  -6.121  -2.150
  235   3HD2  LEU  33          HD23      LEU  33   0.890  -7.843  -1.965
  236    H    CYS  34           HN       CYS  34  -1.193  -8.063   2.000
  237    HA   CYS  34           HA       CYS  34   0.075  -7.986   4.649
  238   1HB   CYS  34          HB2       CYS  34  -2.306  -8.934   4.215
  239   2HB   CYS  34          HB1       CYS  34  -1.466 -10.316   3.527
  240    HA   PRO  35           HA       PRO  35   3.730  -9.615   2.806
  241   1HB   PRO  35          HB2       PRO  35   4.797 -10.793   5.056
  242   2HB   PRO  35          HB1       PRO  35   4.900  -9.071   4.677
  243   1HG   PRO  35          HG2       PRO  35   2.997 -10.504   6.487
  244   2HG   PRO  35          HG1       PRO  35   3.828  -8.956   6.733
  245   1HD   PRO  35          HD2       PRO  35   1.254  -9.056   6.001
  246   2HD   PRO  35          HD1       PRO  35   2.345  -7.803   5.371
  247    H    ASP  36           HN       ASP  36   1.879 -11.802   4.898
  248    HA   ASP  36           HA       ASP  36   3.099 -14.181   3.814
  249   1HB   ASP  36          HB2       ASP  36   1.487 -15.373   5.247
  250   2HB   ASP  36          HB1       ASP  36   2.326 -14.109   6.146
  251    H    CYS  37           HN       CYS  37   0.604 -12.137   2.808
  252    HA   CYS  37           HA       CYS  37  -0.274 -14.038   0.827
  253   1HB   CYS  37          HB2       CYS  37  -2.744 -13.453   1.470
  254   2HB   CYS  37          HB1       CYS  37  -1.896 -14.741   2.315
  255    H    ARG  38           HN       ARG  38   0.544 -12.663  -0.684
  256    HA   ARG  38           HA       ARG  38  -0.308  -9.891  -0.744
  257   1HB   ARG  38          HB2       ARG  38   1.430 -11.472  -2.648
  258   2HB   ARG  38          HB1       ARG  38   1.103  -9.749  -2.780
  259   1HG   ARG  38          HG2       ARG  38   2.133  -9.437  -0.548
  260   2HG   ARG  38          HG1       ARG  38   2.568 -11.147  -0.558
  261   1HD   ARG  38          HD2       ARG  38   3.907 -10.822  -2.554
  262   2HD   ARG  38          HD1       ARG  38   3.425  -9.127  -2.625
  263    HE   ARG  38           HE       ARG  38   4.680  -9.827  -0.143
  264   1HH1  ARG  38          HH11      ARG  38   5.314  -8.946  -3.477
  265   2HH1  ARG  38          HH12      ARG  38   6.872  -8.259  -3.124
  266   1HH2  ARG  38          HH21      ARG  38   6.728  -8.940   0.307
  267   2HH2  ARG  38          HH22      ARG  38   7.674  -8.263  -0.987
  268    H    GLN  39           HN       GLN  39  -2.538 -10.433  -0.896
  269    HA   GLN  39           HA       GLN  39  -3.455 -10.563  -3.655
  270   1HB   GLN  39          HB2       GLN  39  -4.298 -12.495  -1.483
  271   2HB   GLN  39          HB1       GLN  39  -5.276 -12.195  -2.911
  272   1HG   GLN  39          HG2       GLN  39  -3.459 -12.984  -4.329
  273   2HG   GLN  39          HG1       GLN  39  -2.469 -13.275  -2.900
  274   1HE2  GLN  39          HE21      GLN  39  -3.447 -15.099  -4.979
  275   2HE2  GLN  39          HE22      GLN  39  -4.315 -16.344  -4.139
  276    HA   PRO  40           HA       PRO  40  -6.681  -7.776  -2.148
  277   1HB   PRO  40          HB2       PRO  40  -9.029  -9.214  -2.579
  278   2HB   PRO  40          HB1       PRO  40  -8.245  -8.158  -3.758
  279   1HG   PRO  40          HG2       PRO  40  -8.116 -11.125  -3.487
  280   2HG   PRO  40          HG1       PRO  40  -8.162 -10.129  -4.954
  281   1HD   PRO  40          HD2       PRO  40  -5.882 -11.250  -4.097
  282   2HD   PRO  40          HD1       PRO  40  -5.896  -9.635  -4.839
  283    H    LEU  41           HN       LEU  41  -6.487  -7.639   0.002
  284    HA   LEU  41           HA       LEU  41  -6.865  -9.848   1.759
  285   1HB   LEU  41          HB2       LEU  41  -6.654  -6.906   2.399
  286   2HB   LEU  41          HB1       LEU  41  -6.497  -8.221   3.548
  287    HG   LEU  41           HG       LEU  41  -4.611  -7.596   1.277
  288   1HD1  LEU  41          HD11      LEU  41  -4.258  -7.451   4.267
  289   2HD1  LEU  41          HD12      LEU  41  -4.451  -6.075   3.183
  290   3HD1  LEU  41          HD13      LEU  41  -3.025  -7.102   3.054
  291   1HD2  LEU  41          HD21      LEU  41  -4.515  -9.809   3.323
  292   2HD2  LEU  41          HD22      LEU  41  -3.238  -9.414   2.172
  293   3HD2  LEU  41          HD23      LEU  41  -4.797 -10.002   1.593
  294    H    GLN  42           HN       GLN  42  -8.233  -8.921   3.915
  295    HA   GLN  42           HA       GLN  42 -10.933  -9.188   2.952
  296   1HB   GLN  42          HB2       GLN  42 -10.038  -8.827   5.815
  297   2HB   GLN  42          HB1       GLN  42 -11.552  -9.516   5.242
  298   1HG   GLN  42          HG2       GLN  42  -8.803 -10.716   5.071
  299   2HG   GLN  42          HG1       GLN  42 -10.189 -11.310   5.980
  300   1HE2  GLN  42          HE21      GLN  42  -8.521 -12.587   3.920
  301   2HE2  GLN  42          HE22      GLN  42  -9.606 -13.102   2.680
  302    H    VAL  43           HN       VAL  43 -11.741  -7.422   2.105
  303    HA   VAL  43           HA       VAL  43 -10.879  -4.809   2.825
  304    HB   VAL  43           HB       VAL  43 -13.298  -5.581   1.177
  305   1HG1  VAL  43          HG11      VAL  43 -11.688  -3.032   1.265
  306   2HG1  VAL  43          HG12      VAL  43 -13.317  -3.257   1.903
  307   3HG1  VAL  43          HG13      VAL  43 -13.027  -3.367   0.167
  308   1HG2  VAL  43          HG21      VAL  43 -11.836  -5.304  -0.778
  309   2HG2  VAL  43          HG22      VAL  43 -11.296  -6.619   0.266
  310   3HG2  VAL  43          HG23      VAL  43 -10.458  -5.068   0.296
  311    H    LEU  44           HN       LEU  44 -11.333  -4.174   4.819
  312    HA   LEU  44           HA       LEU  44 -14.071  -4.484   5.827
  313   1HB   LEU  44          HB2       LEU  44 -11.579  -3.648   7.320
  314   2HB   LEU  44          HB1       LEU  44 -13.135  -4.049   8.020
  315    HG   LEU  44           HG       LEU  44 -11.279  -5.983   6.605
  316   1HD1  LEU  44          HD11      LEU  44 -12.032  -5.710   9.516
  317   2HD1  LEU  44          HD12      LEU  44 -10.470  -5.303   8.803
  318   3HD1  LEU  44          HD13      LEU  44 -11.021  -6.978   8.822
  319   1HD2  LEU  44          HD21      LEU  44 -12.857  -7.706   7.324
  320   2HD2  LEU  44          HD22      LEU  44 -13.634  -6.543   6.249
  321   3HD2  LEU  44          HD23      LEU  44 -13.923  -6.467   7.987
  322    H    LYS  45           HN       LYS  45 -15.366  -2.767   5.601
  323    HA   LYS  45           HA       LYS  45 -14.177  -0.218   4.903
  324   1HB   LYS  45          HB2       LYS  45 -17.044  -1.143   5.003
  325   2HB   LYS  45          HB1       LYS  45 -16.576   0.506   4.612
  326   1HG   LYS  45          HG2       LYS  45 -15.185  -0.451   2.746
  327   2HG   LYS  45          HG1       LYS  45 -15.965  -2.001   3.069
  328   1HD   LYS  45          HD2       LYS  45 -18.151  -0.996   2.645
  329   2HD   LYS  45          HD1       LYS  45 -17.383   0.565   2.348
  330   1HE   LYS  45          HE2       LYS  45 -17.853  -0.430   0.230
  331   2HE   LYS  45          HE1       LYS  45 -16.111  -0.498   0.484
  332   1HZ   LYS  45          HZ1       LYS  45 -16.401  -2.824   1.227
  333   2HZ   LYS  45          HZ2       LYS  45 -16.860  -2.581  -0.388
  334   3HZ   LYS  45          HZ3       LYS  45 -18.044  -2.727   0.817
  335    H    ALA  46           HN       ALA  46 -13.818   1.380   6.222
  336    HA   ALA  46           HA       ALA  46 -14.903   1.309   8.936
  337   1HB   ALA  46          HB1       ALA  46 -12.800   3.097   7.709
  338   2HB   ALA  46          HB2       ALA  46 -12.491   1.651   8.671
  339   3HB   ALA  46          HB3       ALA  46 -13.256   3.056   9.412
  340    H    CYS  47           HN       CYS  47 -14.993   3.947   9.601
  341    HA   CYS  47           HA       CYS  47 -17.455   4.849   8.742
  342   1HB   CYS  47          HB2       CYS  47 -16.654   7.104   9.607
  343   2HB   CYS  47          HB1       CYS  47 -16.544   5.756  10.735
  344    HG   CYS  47           HG       CYS  47 -14.300   7.572  10.872
  345    H    GLY  48           HN       GLY  48 -14.289   6.100   7.687
  346   1HA   GLY  48          HA2       GLY  48 -15.458   6.616   5.046
  347   2HA   GLY  48          HA1       GLY  48 -14.677   7.945   5.893
  348    H    ALA  49           HN       ALA  49 -13.708   4.561   5.847
  349    HA   ALA  49           HA       ALA  49 -11.459   5.101   4.105
  350   1HB   ALA  49          HB1       ALA  49 -11.017   4.282   6.978
  351   2HB   ALA  49          HB2       ALA  49 -10.614   5.849   6.275
  352   3HB   ALA  49          HB3       ALA  49  -9.774   4.396   5.732
  353    H    VAL  50           HN       VAL  50 -10.148   3.069   3.795
  354    HA   VAL  50           HA       VAL  50 -11.858   0.685   4.061
  355    HB   VAL  50           HB       VAL  50  -9.996   1.365   1.772
  356   1HG1  VAL  50          HG11      VAL  50 -10.004  -1.017   2.203
  357   2HG1  VAL  50          HG12      VAL  50 -10.890  -0.670   0.718
  358   3HG1  VAL  50          HG13      VAL  50 -11.768  -1.037   2.204
  359   1HG2  VAL  50          HG21      VAL  50 -12.042   1.454   0.418
  360   2HG2  VAL  50          HG22      VAL  50 -12.037   2.676   1.690
  361   3HG2  VAL  50          HG23      VAL  50 -13.007   1.214   1.874
  362    H    ASP  51           HN       ASP  51 -10.974  -0.710   5.437
  363    HA   ASP  51           HA       ASP  51  -8.068  -0.706   5.818
  364   1HB   ASP  51          HB2       ASP  51 -10.241  -2.074   7.425
  365   2HB   ASP  51          HB1       ASP  51  -8.526  -2.094   7.809
  366    H    TYR  52           HN       TYR  52  -6.960  -2.119   4.592
  367    HA   TYR  52           HA       TYR  52  -8.151  -4.693   3.927
  368   1HB   TYR  52          HB2       TYR  52  -5.420  -3.555   3.289
  369   2HB   TYR  52          HB1       TYR  52  -5.984  -5.136   2.775
  370    HD1  TYR  52           HD2      TYR  52  -7.655  -5.359   1.031
  371    HD2  TYR  52           HD1      TYR  52  -6.259  -1.526   2.239
  372    HE1  TYR  52           HE2      TYR  52  -8.633  -4.370  -0.997
  373    HE2  TYR  52           HE1      TYR  52  -7.230  -0.528   0.212
  374    HH   TYR  52           HH       TYR  52  -7.908  -1.219  -2.036
  375    H    PHE  53           HN       PHE  53  -8.318  -5.891   5.705
  376    HA   PHE  53           HA       PHE  53  -5.927  -6.453   7.315
  377   1HB   PHE  53          HB2       PHE  53  -7.366  -4.434   8.162
  378   2HB   PHE  53          HB1       PHE  53  -8.500  -5.678   8.667
  379    HD1  PHE  53           HD2      PHE  53  -4.860  -4.847   8.957
  380    HD2  PHE  53           HD1      PHE  53  -8.340  -6.471  10.801
  381    HE1  PHE  53           HE2      PHE  53  -3.621  -5.104  11.061
  382    HE2  PHE  53           HE1      PHE  53  -7.105  -6.723  12.910
  383    HZ   PHE  53           HZ       PHE  53  -4.743  -6.038  13.043
  384    H    CYS  54           HN       CYS  54  -5.837  -8.605   7.384
  385    HA   CYS  54           HA       CYS  54  -7.992 -10.253   6.579
  386   1HB   CYS  54          HB2       CYS  54  -5.458 -11.053   8.023
  387   2HB   CYS  54          HB1       CYS  54  -6.521 -12.123   7.118
  388    H    GLN  55           HN       GLN  55  -9.743  -9.853   7.982
  389    HA   GLN  55           HA       GLN  55  -9.431 -10.252  10.815
  390   1HB   GLN  55          HB2       GLN  55 -11.059  -8.639   9.832
  391   2HB   GLN  55          HB1       GLN  55 -11.976 -10.000   9.203
  392   1HG   GLN  55          HG2       GLN  55 -12.404 -10.785  11.459
  393   2HG   GLN  55          HG1       GLN  55 -11.432  -9.467  12.117
  394   1HE2  GLN  55          HE21      GLN  55 -13.156  -8.654  13.301
  395   2HE2  GLN  55          HE22      GLN  55 -14.489  -7.833  12.559
  396    H    ASN  56           HN       ASN  56 -10.679 -12.107   8.089
  397    HA   ASN  56           HA       ASN  56 -11.007 -14.402   9.907
  398   1HB   ASN  56          HB2       ASN  56 -12.886 -15.170   8.559
  399   2HB   ASN  56          HB1       ASN  56 -13.186 -13.540   9.152
  400   1HD2  ASN  56          HD21      ASN  56 -14.380 -14.906   6.909
  401   2HD2  ASN  56          HD22      ASN  56 -14.041 -13.950   5.510
  402    H    GLY  57           HN       GLY  57  -9.751 -13.259   6.876
  403   1HA   GLY  57          HA2       GLY  57  -9.333 -15.942   5.844
  404   2HA   GLY  57          HA1       GLY  57  -8.950 -14.441   5.021
  405    H    HIS  58           HN       HIS  58  -7.854 -14.968   8.269
  406    HA   HIS  58           HA       HIS  58  -5.453 -16.260   7.979
  407   1HB   HIS  58          HB2       HIS  58  -4.635 -14.674   6.383
  408   2HB   HIS  58          HB1       HIS  58  -5.217 -13.313   7.324
  409    HD2  HIS  58           HD2      HIS  58  -3.131 -15.808   9.392
  410    HE1  HIS  58           HE1      HIS  58  -0.626 -12.526   8.451
  411    HE2  HIS  58           HE2      HIS  58  -1.028 -14.452  10.013
  412    H    GLY  59           HN       GLY  59  -6.479 -13.123   9.289
  413   1HA   GLY  59          HA2       GLY  59  -6.968 -13.178  11.773
  414   2HA   GLY  59          HA1       GLY  59  -5.390 -13.955  11.895
  415    H    LEU  60           HN       LEU  60  -6.329 -11.389  12.999
  416    HA   LEU  60           HA       LEU  60  -5.521  -9.171  11.520
  417   1HB   LEU  60          HB2       LEU  60  -5.430  -7.953  13.592
  418   2HB   LEU  60          HB1       LEU  60  -6.791  -9.052  13.642
  419    HG   LEU  60           HG       LEU  60  -4.167  -9.727  14.957
  420   1HD1  LEU  60          HD11      LEU  60  -6.526  -8.292  16.175
  421   2HD1  LEU  60          HD12      LEU  60  -4.942  -7.586  15.855
  422   3HD1  LEU  60          HD13      LEU  60  -5.107  -8.878  17.044
  423   1HD2  LEU  60          HD21      LEU  60  -5.759 -11.561  14.596
  424   2HD2  LEU  60          HD22      LEU  60  -6.997 -10.647  15.457
  425   3HD2  LEU  60          HD23      LEU  60  -5.556 -11.198  16.310
  426    H    ILE  61           HN       ILE  61  -3.659  -8.157  11.158
  427    HA   ILE  61           HA       ILE  61  -1.205  -9.616  11.831
  428    HB   ILE  61           HB       ILE  61  -1.491  -7.460   9.727
  429   1HG1  ILE  61          HG12      ILE  61  -1.436  -9.603   8.175
  430   2HG1  ILE  61          HG11      ILE  61  -2.181 -10.365   9.575
  431   1HG2  ILE  61          HG21      ILE  61   0.787  -7.970  10.413
  432   2HG2  ILE  61          HG22      ILE  61   0.498  -8.500   8.755
  433   3HG2  ILE  61          HG23      ILE  61   0.523  -9.679  10.066
  434   1HD1  ILE  61          HD11      ILE  61  -3.244  -7.980   8.074
  435   2HD1  ILE  61          HD12      ILE  61  -3.984  -8.706   9.501
  436   3HD1  ILE  61          HD13      ILE  61  -3.865  -9.630   8.004
  437    H    SER  62           HN       SER  62   0.658  -8.399  12.513
  438    HA   SER  62           HA       SER  62   0.247  -6.223  14.235
  439   1HB   SER  62          HB2       SER  62   2.269  -7.763  14.170
  440   2HB   SER  62          HB1       SER  62   2.818  -6.858  12.760
  441    HG   SER  62           HG       SER  62   2.984  -6.234  15.392
  442    H    LYS  63           HN       LYS  63   0.109  -4.038  13.836
  443    HA   LYS  63           HA       LYS  63  -0.582  -3.345  11.174
  444   1HB   LYS  63          HB2       LYS  63  -0.359  -1.723  13.696
  445   2HB   LYS  63          HB1       LYS  63  -0.797  -1.001  12.152
  446   1HG   LYS  63          HG2       LYS  63  -2.654  -2.694  12.015
  447   2HG   LYS  63          HG1       LYS  63  -2.283  -3.116  13.686
  448   1HD   LYS  63          HD2       LYS  63  -2.837  -0.926  14.442
  449   2HD   LYS  63          HD1       LYS  63  -2.939  -0.317  12.789
  450   1HE   LYS  63          HE2       LYS  63  -4.838  -1.854  12.386
  451   2HE   LYS  63          HE1       LYS  63  -4.769  -2.338  14.080
  452   1HZ   LYS  63          HZ1       LYS  63  -5.194   0.460  13.184
  453   2HZ   LYS  63          HZ2       LYS  63  -5.351  -0.151  14.759
  454   3HZ   LYS  63          HZ3       LYS  63  -6.456  -0.611  13.558
  455    H    LYS  64           HN       LYS  64   2.414  -3.228  12.862
  456    HA   LYS  64           HA       LYS  64   3.563  -1.310  11.014
  457   1HB   LYS  64          HB2       LYS  64   4.832  -3.028  13.146
  458   2HB   LYS  64          HB1       LYS  64   5.738  -1.941  12.106
  459   1HG   LYS  64          HG2       LYS  64   4.090  -0.140  12.996
  460   2HG   LYS  64          HG1       LYS  64   3.823  -1.301  14.298
  461   1HD   LYS  64          HD2       LYS  64   6.490  -0.167  13.458
  462   2HD   LYS  64          HD1       LYS  64   5.569   0.313  14.882
  463   1HE   LYS  64          HE2       LYS  64   5.791  -1.919  15.807
  464   2HE   LYS  64          HE1       LYS  64   6.639  -2.458  14.358
  465   1HZ   LYS  64          HZ1       LYS  64   7.605  -0.345  16.212
  466   2HZ   LYS  64          HZ2       LYS  64   8.433  -0.945  14.857
  467   3HZ   LYS  64          HZ3       LYS  64   8.155  -1.952  16.191
  468    H    ARG  65           HN       ARG  65   2.640  -4.443  10.772
  469    HA   ARG  65           HA       ARG  65   4.797  -5.076   8.882
  470   1HB   ARG  65          HB2       ARG  65   3.106  -6.801  10.633
  471   2HB   ARG  65          HB1       ARG  65   3.685  -7.456   9.107
  472   1HG   ARG  65          HG2       ARG  65   5.327  -6.445  11.412
  473   2HG   ARG  65          HG1       ARG  65   5.227  -8.095  10.789
  474   1HD   ARG  65          HD2       ARG  65   6.567  -5.698   9.585
  475   2HD   ARG  65          HD1       ARG  65   7.242  -7.290   9.924
  476    HE   ARG  65           HE       ARG  65   5.133  -7.194   7.929
  477   1HH1  ARG  65          HH11      ARG  65   8.574  -7.273   8.572
  478   2HH1  ARG  65          HH12      ARG  65   8.994  -7.720   6.944
  479   1HH2  ARG  65          HH21      ARG  65   5.679  -7.743   5.789
  480   2HH2  ARG  65          HH22      ARG  65   7.345  -8.001   5.361
  481    H    VAL  66           HN       VAL  66   1.923  -3.695   8.794
  482    HA   VAL  66           HA       VAL  66   0.771  -5.137   6.574
  483    HB   VAL  66           HB       VAL  66   0.145  -2.300   7.414
  484   1HG1  VAL  66          HG11      VAL  66  -0.658  -2.913   5.205
  485   2HG1  VAL  66          HG12      VAL  66  -2.008  -2.742   6.326
  486   3HG1  VAL  66          HG13      VAL  66  -1.439  -4.348   5.867
  487   1HG2  VAL  66          HG21      VAL  66  -1.120  -4.864   8.374
  488   2HG2  VAL  66          HG22      VAL  66  -1.728  -3.239   8.695
  489   3HG2  VAL  66          HG23      VAL  66  -0.164  -3.739   9.338
  490    H    ASN  67           HN       ASN  67   1.976  -5.186   4.783
  491    HA   ASN  67           HA       ASN  67   3.815  -3.089   4.154
  492   1HB   ASN  67          HB2       ASN  67   3.030  -5.635   2.766
  493   2HB   ASN  67          HB1       ASN  67   4.070  -4.453   1.979
  494   1HD2  ASN  67          HD21      ASN  67   6.087  -3.970   2.910
  495   2HD2  ASN  67          HD22      ASN  67   6.884  -5.105   3.954
  496    H    PHE  68           HN       PHE  68   2.674  -1.235   3.836
  497    HA   PHE  68           HA       PHE  68   0.578  -1.013   1.917
  498   1HB   PHE  68          HB2       PHE  68   2.364   1.229   2.877
  499   2HB   PHE  68          HB1       PHE  68   0.716   1.348   2.273
  500    HD1  PHE  68           HD1      PHE  68  -1.023  -0.140   3.716
  501    HD2  PHE  68           HD2      PHE  68   2.666   1.447   5.126
  502    HE1  PHE  68           HE1      PHE  68  -1.866  -0.235   6.021
  503    HE2  PHE  68           HE2      PHE  68   1.829   1.347   7.436
  504    HZ   PHE  68           HZ       PHE  68  -0.440   0.507   7.886
  505    H    VAL  69           HN       VAL  69   0.962  -1.443  -0.160
  506    HA   VAL  69           HA       VAL  69   3.607  -0.809  -1.270
  507    HB   VAL  69           HB       VAL  69   3.018  -2.340  -3.113
  508   1HG1  VAL  69          HG11      VAL  69   3.131  -4.418  -1.829
  509   2HG1  VAL  69          HG12      VAL  69   2.683  -3.541  -0.367
  510   3HG1  VAL  69          HG13      VAL  69   4.215  -3.194  -1.169
  511   1HG2  VAL  69          HG21      VAL  69   0.595  -2.053  -3.089
  512   2HG2  VAL  69          HG22      VAL  69   0.507  -2.854  -1.521
  513   3HG2  VAL  69          HG23      VAL  69   1.028  -3.757  -2.944
  514    H    ILE  70           HN       ILE  70   3.556  -0.234  -3.662
  515    HA   ILE  70           HA       ILE  70   1.613   1.936  -4.017
  516    HB   ILE  70           HB       ILE  70   4.253   1.459  -5.417
  517   1HG1  ILE  70          HG12      ILE  70   3.490   3.512  -3.325
  518   2HG1  ILE  70          HG11      ILE  70   4.463   2.077  -3.024
  519   1HG2  ILE  70          HG21      ILE  70   2.689   2.626  -6.858
  520   2HG2  ILE  70          HG22      ILE  70   3.946   3.734  -6.306
  521   3HG2  ILE  70          HG23      ILE  70   2.341   3.787  -5.576
  522   1HD1  ILE  70          HD11      ILE  70   5.204   4.356  -4.845
  523   2HD1  ILE  70          HD12      ILE  70   6.186   2.925  -4.526
  524   3HD1  ILE  70          HD13      ILE  70   5.842   4.068  -3.225
  525    H    SER  71           HN       SER  71  -0.083   1.390  -5.206
  526    HA   SER  71           HA       SER  71   0.336  -0.353  -7.542
  527   1HB   SER  71          HB2       SER  71  -2.193   0.069  -5.927
  528   2HB   SER  71          HB1       SER  71  -2.035  -0.989  -7.329
  529    HG   SER  71           HG       SER  71  -1.818  -1.946  -5.124
  530    H    ASP  72           HN       ASP  72   0.602   0.996  -9.220
  531    HA   ASP  72           HA       ASP  72  -1.302   3.222  -9.515
  532   1HB   ASP  72          HB2       ASP  72   0.424   4.316 -10.915
  533   2HB   ASP  72          HB1       ASP  72   0.977   4.021  -9.271
  534    H    GLN  73           HN       GLN  73  -0.574   0.208 -10.687
  535    HA   GLN  73           HA       GLN  73  -1.049   0.706 -13.479
  536   1HB   GLN  73          HB2       GLN  73  -0.994  -1.895 -11.937
  537   2HB   GLN  73          HB1       GLN  73  -1.105  -1.766 -13.686
  538   1HG   GLN  73          HG2       GLN  73   1.143  -2.246 -13.206
  539   2HG   GLN  73          HG1       GLN  73   1.094  -0.533 -13.614
  540   1HE2  GLN  73          HE21      GLN  73   2.981  -0.086 -12.514
  541   2HE2  GLN  73          HE22      GLN  73   3.065  -0.069 -10.786
  542    H    LEU  74           HN       LEU  74  -2.819  -1.492 -11.318
  543    HA   LEU  74           HA       LEU  74  -5.012  -2.050 -11.152
  544   1HB   LEU  74          HB2       LEU  74  -5.163   0.904 -11.633
  545   2HB   LEU  74          HB1       LEU  74  -6.632  -0.043 -11.518
  546    HG   LEU  74           HG       LEU  74  -5.897  -0.800  -9.249
  547   1HD1  LEU  74          HD11      LEU  74  -3.504  -0.427  -9.477
  548   2HD1  LEU  74          HD12      LEU  74  -4.155   0.466  -8.102
  549   3HD1  LEU  74          HD13      LEU  74  -3.776   1.310  -9.603
  550   1HD2  LEU  74          HD21      LEU  74  -7.508   0.991  -9.510
  551   2HD2  LEU  74          HD22      LEU  74  -6.203   2.168  -9.659
  552   3HD2  LEU  74          HD23      LEU  74  -6.448   1.311  -8.137
  553    H    GLU  75           HN       GLU  75  -7.298  -1.210 -12.507
  554    HA   GLU  75           HA       GLU  75  -6.845  -2.526 -15.049
  555   1HB   GLU  75          HB2       GLU  75  -9.426  -1.646 -13.747
  556   2HB   GLU  75          HB1       GLU  75  -9.305  -2.577 -15.231
  557   1HG   GLU  75          HG2       GLU  75  -9.762  -4.195 -13.664
  558   2HG   GLU  75          HG1       GLU  75  -8.006  -4.275 -13.779
  559    H    HIS  76           HN       HIS  76  -5.712  -0.824 -16.103
  560    HA   HIS  76           HA       HIS  76  -7.428   1.394 -16.971
  561   1HB   HIS  76          HB2       HIS  76  -4.464   0.910 -17.138
  562   2HB   HIS  76          HB1       HIS  76  -5.241   2.080 -18.199
  563    HD1  HIS  76           HD1      HIS  76  -3.524   1.956 -15.104
  564    HD2  HIS  76           HD2      HIS  76  -6.884   3.984 -16.471
  565    HE1  HIS  76           HE1      HIS  76  -3.795   3.922 -13.566
  566    HE2  HIS  76           HE2      HIS  76  -5.927   5.048 -14.313
  567    H    HIS  77           HN       HIS  77  -5.587  -1.342 -18.134
  568    HA   HIS  77           HA       HIS  77  -7.437  -1.964 -20.178
  569   1HB   HIS  77          HB2       HIS  77  -6.140   0.011 -21.193
  570   2HB   HIS  77          HB1       HIS  77  -4.734  -1.048 -21.201
  571    HD1  HIS  77           HD1      HIS  77  -4.801  -0.705 -23.846
  572    HD2  HIS  77           HD2      HIS  77  -7.996  -2.813 -22.219
  573    HE1  HIS  77           HE1      HIS  77  -5.906  -1.866 -25.782
  574    HE2  HIS  77           HE2      HIS  77  -7.946  -2.969 -24.800
  575    H    HIS  78           HN       HIS  78  -6.730  -3.426 -18.177
  576    HA   HIS  78           HA       HIS  78  -5.728  -5.261 -17.335
  577   1HB   HIS  78          HB2       HIS  78  -4.908  -5.606 -20.211
  578   2HB   HIS  78          HB1       HIS  78  -4.340  -6.706 -18.959
  579    HD1  HIS  78           HD1      HIS  78  -5.727  -8.738 -18.816
  580    HD2  HIS  78           HD2      HIS  78  -7.950  -5.427 -19.986
  581    HE1  HIS  78           HE1      HIS  78  -8.079  -9.574 -19.123
  582    HE2  HIS  78           HE2      HIS  78  -9.361  -7.591 -20.016
  583    H    HIS  79           HN       HIS  79  -3.361  -6.336 -17.259
  584    HA   HIS  79           HA       HIS  79  -1.616  -4.064 -16.637
  585   1HB   HIS  79          HB2       HIS  79  -1.411  -6.975 -15.821
  586   2HB   HIS  79          HB1       HIS  79  -0.313  -5.698 -15.308
  587    HD1  HIS  79           HD1      HIS  79  -0.813  -4.930 -13.014
  588    HD2  HIS  79           HD2      HIS  79  -4.257  -6.134 -15.021
  589    HE1  HIS  79           HE1      HIS  79  -2.704  -4.616 -11.384
  590    HE2  HIS  79           HE2      HIS  79  -4.746  -5.507 -12.560
  591    H    HIS  80           HN       HIS  80  -0.717  -3.530 -18.576
  592    HA   HIS  80           HA       HIS  80   0.172  -5.620 -20.379
  593   1HB   HIS  80          HB2       HIS  80  -1.015  -3.581 -21.202
  594   2HB   HIS  80          HB1       HIS  80   0.366  -2.617 -20.696
  595    HD1  HIS  80           HD1      HIS  80  -0.851  -4.822 -23.409
  596    HD2  HIS  80           HD2      HIS  80   2.711  -2.990 -22.285
  597    HE1  HIS  80           HE1      HIS  80   0.657  -4.976 -25.417
  598    HE2  HIS  80           HE2      HIS  80   2.860  -4.023 -24.650
  599    H    HIS  81           HN       HIS  81   2.133  -6.411 -20.420
  600    HA   HIS  81           HA       HIS  81   4.305  -4.975 -19.077
  601   1HB   HIS  81          HB2       HIS  81   3.834  -7.448 -18.645
  602   2HB   HIS  81          HB1       HIS  81   4.422  -7.748 -20.277
  603    HD1  HIS  81           HD1      HIS  81   6.991  -7.350 -20.707
  604    HD2  HIS  81           HD2      HIS  81   5.781  -6.955 -16.742
  605    HE1  HIS  81           HE1      HIS  81   9.103  -7.361 -19.347
  606    HE2  HIS  81           HE2      HIS  81   8.361  -7.019 -16.959
  Start of MODEL   11
    1   1H    MET   1          HT1       MET   1  18.435   0.798   3.894
    2   2H    MET   1          HT2       MET   1  17.314   1.153   5.115
    3   3H    MET   1          HT3       MET   1  18.121   2.410   4.318
    4    HA   MET   1           HA       MET   1  17.045   1.848   2.248
    5   1HB   MET   1          HB2       MET   1  15.608  -0.197   3.952
    6   2HB   MET   1          HB1       MET   1  15.112   0.266   2.332
    7   1HG   MET   1          HG2       MET   1  17.289  -0.540   1.484
    8   2HG   MET   1          HG1       MET   1  17.682  -1.089   3.113
    9   1HE   MET   1          HE1       MET   1  16.997  -4.472   1.285
   10   2HE   MET   1          HE2       MET   1  18.123  -3.558   2.289
   11   3HE   MET   1          HE3       MET   1  17.801  -3.046   0.631
   12    H    GLU   2           HN       GLU   2  16.275   3.892   2.332
   13    HA   GLU   2           HA       GLU   2  14.009   4.450   4.110
   14   1HB   GLU   2          HB2       GLU   2  15.849   6.253   2.544
   15   2HB   GLU   2          HB1       GLU   2  14.362   6.833   3.279
   16   1HG   GLU   2          HG2       GLU   2  16.697   5.605   4.721
   17   2HG   GLU   2          HG1       GLU   2  16.269   7.317   4.674
   18    H    ILE   3           HN       ILE   3  12.094   5.425   3.235
   19    HA   ILE   3           HA       ILE   3  11.433   4.470   0.603
   20    HB   ILE   3           HB       ILE   3   9.247   5.627   0.949
   21   1HG1  ILE   3          HG12      ILE   3  10.359   6.240   3.696
   22   2HG1  ILE   3          HG11      ILE   3  10.063   7.430   2.435
   23   1HG2  ILE   3          HG21      ILE   3   9.557   3.291   1.571
   24   2HG2  ILE   3          HG22      ILE   3   8.438   4.098   2.671
   25   3HG2  ILE   3          HG23      ILE   3  10.099   3.783   3.175
   26   1HD1  ILE   3          HD11      ILE   3   7.678   6.941   2.520
   27   2HD1  ILE   3          HD12      ILE   3   8.290   7.431   4.101
   28   3HD1  ILE   3          HD13      ILE   3   7.966   5.729   3.769
   29    H    THR   4           HN       THR   4  11.703   5.512  -1.232
   30    HA   THR   4           HA       THR   4  11.507   8.378  -1.385
   31    HB   THR   4           HB       THR   4  13.808   8.396  -0.851
   32    HG1  THR   4           HG1      THR   4  13.481   8.419  -3.684
   33   1HG2  THR   4          HG21      THR   4  14.290   6.029  -1.028
   34   2HG2  THR   4          HG22      THR   4  15.480   6.961  -1.941
   35   3HG2  THR   4          HG23      THR   4  14.183   6.116  -2.787
   36    H    CYS   5           HN       CYS   5  10.890   9.057  -3.372
   37    HA   CYS   5           HA       CYS   5   9.946   7.240  -5.277
   38   1HB   CYS   5          HB2       CYS   5  10.120   9.452  -6.747
   39   2HB   CYS   5          HB1       CYS   5   8.905   9.275  -5.486
   40    HA   PRO   6           HA       PRO   6  13.778   5.822  -6.900
   41   1HB   PRO   6          HB2       PRO   6  12.815   4.810  -9.281
   42   2HB   PRO   6          HB1       PRO   6  12.750   3.973  -7.729
   43   1HG   PRO   6          HG2       PRO   6  10.624   5.530  -9.133
   44   2HG   PRO   6          HG1       PRO   6  10.489   4.022  -8.210
   45   1HD   PRO   6          HD2       PRO   6   9.750   6.391  -7.179
   46   2HD   PRO   6          HD1       PRO   6  10.480   5.120  -6.177
   47    H    VAL   7           HN       VAL   7  11.772   7.148  -9.543
   48    HA   VAL   7           HA       VAL   7  14.054   7.997 -11.010
   49    HB   VAL   7           HB       VAL   7  12.447   9.081 -12.534
   50   1HG1  VAL   7          HG11      VAL   7  12.953   6.709 -12.784
   51   2HG1  VAL   7          HG12      VAL   7  11.275   7.038 -13.216
   52   3HG1  VAL   7          HG13      VAL   7  11.658   6.303 -11.659
   53   1HG2  VAL   7          HG21      VAL   7  10.826   9.849 -10.863
   54   2HG2  VAL   7          HG22      VAL   7  10.354   8.178 -10.553
   55   3HG2  VAL   7          HG23      VAL   7  10.048   8.902 -12.132
   56    H    CYS   8           HN       CYS   8  12.093   9.468  -8.597
   57    HA   CYS   8           HA       CYS   8  13.535  11.998  -8.979
   58   1HB   CYS   8          HB2       CYS   8  11.432  12.637  -7.347
   59   2HB   CYS   8          HB1       CYS   8  11.448  12.848  -9.095
   60    H    HIS   9           HN       HIS   9  15.076  10.393  -7.834
   61    HA   HIS   9           HA       HIS   9  14.726   9.473  -5.245
   62   1HB   HIS   9          HB2       HIS   9  16.464   8.672  -6.769
   63   2HB   HIS   9          HB1       HIS   9  17.294  10.218  -6.655
   64    HD1  HIS   9           HD1      HIS   9  16.875   6.966  -4.936
   65    HD2  HIS   9           HD2      HIS   9  18.630  10.661  -4.173
   66    HE1  HIS   9           HE1      HIS   9  18.398   6.606  -2.969
   67    HE2  HIS   9           HE2      HIS   9  19.627   8.792  -2.689
   68    H    HIS  10           HN       HIS  10  14.707  10.361  -3.315
   69    HA   HIS  10           HA       HIS  10  16.535  12.237  -2.367
   70   1HB   HIS  10          HB2       HIS  10  15.099  13.752  -3.841
   71   2HB   HIS  10          HB1       HIS  10  13.795  13.458  -2.701
   72    HD1  HIS  10           HD1      HIS  10  13.659  15.039  -0.772
   73    HD2  HIS  10           HD2      HIS  10  17.401  15.065  -2.591
   74    HE1  HIS  10           HE1      HIS  10  14.887  16.977   0.233
   75    HE2  HIS  10           HE2      HIS  10  17.071  17.082  -1.010
   76    H    ALA  11           HN       ALA  11  13.080  11.695  -1.976
   77    HA   ALA  11           HA       ALA  11  13.298   9.825   0.116
   78   1HB   ALA  11          HB1       ALA  11  12.536  12.607   1.023
   79   2HB   ALA  11          HB2       ALA  11  14.018  11.751   1.452
   80   3HB   ALA  11          HB3       ALA  11  12.455  11.140   1.998
   81    H    LEU  12           HN       LEU  12  10.962   9.839   1.330
   82    HA   LEU  12           HA       LEU  12   8.854  10.832  -0.427
   83   1HB   LEU  12          HB2       LEU  12   9.310   7.961   0.263
   84   2HB   LEU  12          HB1       LEU  12   7.663   8.546   0.141
   85    HG   LEU  12           HG       LEU  12   9.738   8.551  -2.051
   86   1HD1  LEU  12          HD11      LEU  12   8.210   6.987  -3.138
   87   2HD1  LEU  12          HD12      LEU  12   7.140   7.053  -1.740
   88   3HD1  LEU  12          HD13      LEU  12   8.754   6.364  -1.581
   89   1HD2  LEU  12          HD21      LEU  12   7.979   9.438  -3.490
   90   2HD2  LEU  12          HD22      LEU  12   8.333  10.557  -2.171
   91   3HD2  LEU  12          HD23      LEU  12   6.889   9.545  -2.108
   92    H    GLU  13           HN       GLU  13   6.985  11.363   0.615
   93    HA   GLU  13           HA       GLU  13   7.087  11.185   3.544
   94   1HB   GLU  13          HB2       GLU  13   7.046  13.462   2.629
   95   2HB   GLU  13          HB1       GLU  13   5.558  13.094   1.769
   96   1HG   GLU  13          HG2       GLU  13   4.419  12.745   3.904
   97   2HG   GLU  13          HG1       GLU  13   5.912  13.144   4.753
   98    H    ARG  14           HN       ARG  14   6.011   9.389   4.133
   99    HA   ARG  14           HA       ARG  14   3.668   8.526   2.697
  100   1HB   ARG  14          HB2       ARG  14   3.560   6.727   4.431
  101   2HB   ARG  14          HB1       ARG  14   5.063   6.779   3.528
  102   1HG   ARG  14          HG2       ARG  14   6.170   7.867   5.408
  103   2HG   ARG  14          HG1       ARG  14   4.655   7.853   6.314
  104   1HD   ARG  14          HD2       ARG  14   4.626   5.441   6.322
  105   2HD   ARG  14          HD1       ARG  14   6.042   5.385   5.274
  106    HE   ARG  14           HE       ARG  14   6.484   6.776   7.766
  107   1HH1  ARG  14          HH11      ARG  14   6.407   3.621   6.239
  108   2HH1  ARG  14          HH12      ARG  14   7.593   2.928   7.298
  109   1HH2  ARG  14          HH21      ARG  14   8.006   5.849   9.204
  110   2HH2  ARG  14          HH22      ARG  14   8.485   4.188   9.008
  111    H    ASN  15           HN       ASN  15   1.770   9.406   2.966
  112    HA   ASN  15           HA       ASN  15   1.180  10.875   5.417
  113   1HB   ASN  15          HB2       ASN  15  -0.189  10.691   2.737
  114   2HB   ASN  15          HB1       ASN  15  -0.965  11.452   4.119
  115   1HD2  ASN  15          HD21      ASN  15   2.485  11.632   3.482
  116   2HD2  ASN  15          HD22      ASN  15   2.510  13.317   3.105
  117    H    GLY  16           HN       GLY  16   0.953   7.779   4.449
  118   1HA   GLY  16          HA2       GLY  16  -0.064   6.110   5.824
  119   2HA   GLY  16          HA1       GLY  16  -1.332   7.264   6.220
  120    H    ASP  17           HN       ASP  17  -2.311   8.144   3.977
  121    HA   ASP  17           HA       ASP  17  -3.524   5.815   2.756
  122   1HB   ASP  17          HB2       ASP  17  -4.991   7.450   1.645
  123   2HB   ASP  17          HB1       ASP  17  -4.918   7.740   3.381
  124    H    THR  18           HN       THR  18  -1.293   8.376   1.905
  125    HA   THR  18           HA       THR  18  -0.726   7.010  -0.616
  126    HB   THR  18           HB       THR  18  -0.489   9.405  -1.617
  127    HG1  THR  18           HG1      THR  18  -2.574   9.966   0.235
  128   1HG2  THR  18          HG21      THR  18  -2.106   7.750  -2.414
  129   2HG2  THR  18          HG22      THR  18  -2.817   9.363  -2.386
  130   3HG2  THR  18          HG23      THR  18  -3.217   8.201  -1.121
  131    H    ALA  19           HN       ALA  19   1.285   7.780  -1.628
  132    HA   ALA  19           HA       ALA  19   3.239   8.695   0.380
  133   1HB   ALA  19          HB1       ALA  19   3.697   6.450  -0.504
  134   2HB   ALA  19          HB2       ALA  19   4.947   7.597  -0.986
  135   3HB   ALA  19          HB3       ALA  19   3.713   7.101  -2.143
  136    H    HIS  20           HN       HIS  20   3.695  10.765   0.146
  137    HA   HIS  20           HA       HIS  20   3.118  12.065  -2.399
  138   1HB   HIS  20          HB2       HIS  20   2.110  12.970  -0.347
  139   2HB   HIS  20          HB1       HIS  20   3.711  13.224   0.333
  140    HD1  HIS  20           HD1      HIS  20   1.397  14.549  -2.331
  141    HD2  HIS  20           HD2      HIS  20   5.010  15.517  -0.487
  142    HE1  HIS  20           HE1      HIS  20   1.911  16.914  -3.040
  143    HE2  HIS  20           HE2      HIS  20   4.169  17.409  -2.036
  144    H    CYS  21           HN       CYS  21   4.626  12.893  -3.703
  145    HA   CYS  21           HA       CYS  21   7.401  12.486  -3.107
  146   1HB   CYS  21          HB2       CYS  21   5.875  13.490  -5.472
  147   2HB   CYS  21          HB1       CYS  21   7.601  13.805  -5.371
  148    H    GLU  22           HN       GLU  22   8.996  14.131  -3.209
  149    HA   GLU  22           HA       GLU  22   8.310  16.078  -1.214
  150   1HB   GLU  22          HB2       GLU  22  11.050  16.044  -2.299
  151   2HB   GLU  22          HB1       GLU  22  10.499  15.930  -0.632
  152   1HG   GLU  22          HG2       GLU  22  11.438  13.856  -0.950
  153   2HG   GLU  22          HG1       GLU  22   9.741  13.543  -1.322
  154    H    THR  23           HN       THR  23  10.409  16.426  -4.057
  155    HA   THR  23           HA       THR  23   9.468  19.195  -4.277
  156    HB   THR  23           HB       THR  23  11.846  19.019  -3.825
  157    HG1  THR  23           HG1      THR  23  11.325  20.735  -5.131
  158   1HG2  THR  23          HG21      THR  23  11.990  17.356  -6.339
  159   2HG2  THR  23          HG22      THR  23  12.329  16.822  -4.690
  160   3HG2  THR  23          HG23      THR  23  13.384  18.000  -5.469
  161    H    CYS  24           HN       CYS  24   8.893  16.293  -5.549
  162    HA   CYS  24           HA       CYS  24   8.253  17.386  -8.199
  163   1HB   CYS  24          HB2       CYS  24   7.905  14.778  -8.603
  164   2HB   CYS  24          HB1       CYS  24   9.493  15.527  -8.739
  165    H    ALA  25           HN       ALA  25   6.139  17.387  -8.858
  166    HA   ALA  25           HA       ALA  25   4.169  17.100  -6.776
  167   1HB   ALA  25          HB1       ALA  25   3.790  17.820  -9.679
  168   2HB   ALA  25          HB2       ALA  25   4.072  18.964  -8.368
  169   3HB   ALA  25          HB3       ALA  25   2.598  17.997  -8.392
  170    H    LYS  26           HN       LYS  26   4.524  14.785  -6.488
  171    HA   LYS  26           HA       LYS  26   2.761  13.242  -8.253
  172   1HB   LYS  26          HB2       LYS  26   5.417  12.193  -7.247
  173   2HB   LYS  26          HB1       LYS  26   4.293  11.365  -8.313
  174   1HG   LYS  26          HG2       LYS  26   4.750  12.918 -10.089
  175   2HG   LYS  26          HG1       LYS  26   5.741  13.911  -9.021
  176   1HD   LYS  26          HD2       LYS  26   7.262  12.643 -10.298
  177   2HD   LYS  26          HD1       LYS  26   7.208  11.866  -8.714
  178   1HE   LYS  26          HE2       LYS  26   7.145  10.133 -10.330
  179   2HE   LYS  26          HE1       LYS  26   5.518  10.272  -9.670
  180   1HZ   LYS  26          HZ1       LYS  26   5.492  10.040 -12.080
  181   2HZ   LYS  26          HZ2       LYS  26   6.434  11.436 -12.244
  182   3HZ   LYS  26          HZ3       LYS  26   4.866  11.547 -11.616
  183    H    ASP  27           HN       ASP  27   1.496  11.776  -7.201
  184    HA   ASP  27           HA       ASP  27   2.072  11.202  -4.376
  185   1HB   ASP  27          HB2       ASP  27  -0.589  12.052  -5.539
  186   2HB   ASP  27          HB1       ASP  27  -0.445  11.231  -3.989
  187    H    PHE  28           HN       PHE  28   2.219   9.085  -4.080
  188    HA   PHE  28           HA       PHE  28   1.113   7.314  -6.138
  189   1HB   PHE  28          HB2       PHE  28   3.097   6.691  -3.943
  190   2HB   PHE  28          HB1       PHE  28   2.641   5.627  -5.268
  191    HD1  PHE  28           HD1      PHE  28   3.020   6.641  -7.671
  192    HD2  PHE  28           HD2      PHE  28   5.004   7.939  -4.138
  193    HE1  PHE  28           HE1      PHE  28   4.843   7.573  -9.039
  194    HE2  PHE  28           HE2      PHE  28   6.826   8.875  -5.496
  195    HZ   PHE  28           HZ       PHE  28   6.748   8.693  -7.953
  196    H    SER  29           HN       SER  29  -0.355   5.749  -5.709
  197    HA   SER  29           HA       SER  29  -1.862   5.948  -3.273
  198   1HB   SER  29          HB2       SER  29  -2.162   3.923  -5.501
  199   2HB   SER  29          HB1       SER  29  -3.377   4.384  -4.310
  200    HG   SER  29           HG       SER  29  -3.255   6.530  -5.241
  201    H    LEU  30           HN       LEU  30  -1.538   4.796  -1.471
  202    HA   LEU  30           HA       LEU  30   0.272   2.491  -1.597
  203   1HB   LEU  30          HB2       LEU  30  -0.691   4.128   0.753
  204   2HB   LEU  30          HB1       LEU  30   0.343   2.721   0.890
  205    HG   LEU  30           HG       LEU  30   1.048   5.323  -0.474
  206   1HD1  LEU  30          HD11      LEU  30   1.034   5.486   1.955
  207   2HD1  LEU  30          HD12      LEU  30   2.689   5.520   1.341
  208   3HD1  LEU  30          HD13      LEU  30   2.051   4.048   2.071
  209   1HD2  LEU  30          HD21      LEU  30   2.687   2.821  -0.083
  210   2HD2  LEU  30          HD22      LEU  30   3.280   4.352  -0.727
  211   3HD2  LEU  30          HD23      LEU  30   2.070   3.431  -1.618
  212    H    GLN  31           HN       GLN  31  -0.441   0.479  -1.266
  213    HA   GLN  31           HA       GLN  31  -3.191   0.156  -0.266
  214   1HB   GLN  31          HB2       GLN  31  -2.819  -0.673  -2.580
  215   2HB   GLN  31          HB1       GLN  31  -1.588  -1.771  -1.966
  216   1HG   GLN  31          HG2       GLN  31  -3.187  -3.019  -0.742
  217   2HG   GLN  31          HG1       GLN  31  -4.445  -1.822  -1.038
  218   1HE2  GLN  31          HE21      GLN  31  -2.226  -2.756  -3.550
  219   2HE2  GLN  31          HE22      GLN  31  -3.370  -3.645  -4.491
  220    H    ALA  32           HN       ALA  32  -3.443  -0.796   1.630
  221    HA   ALA  32           HA       ALA  32  -1.270  -1.656   3.214
  222   1HB   ALA  32          HB1       ALA  32  -3.029  -2.475   4.772
  223   2HB   ALA  32          HB2       ALA  32  -4.239  -2.076   3.552
  224   3HB   ALA  32          HB3       ALA  32  -3.258  -0.800   4.269
  225    H    LEU  33           HN       LEU  33  -0.101  -3.300   2.424
  226    HA   LEU  33           HA       LEU  33  -1.477  -5.643   1.359
  227   1HB   LEU  33          HB2       LEU  33   0.837  -4.228   0.608
  228   2HB   LEU  33          HB1       LEU  33   1.399  -5.772   1.216
  229    HG   LEU  33           HG       LEU  33   1.121  -5.914  -1.172
  230   1HD1  LEU  33          HD11      LEU  33   0.569  -7.914   0.087
  231   2HD1  LEU  33          HD12      LEU  33  -0.454  -7.771  -1.343
  232   3HD1  LEU  33          HD13      LEU  33  -1.099  -7.365   0.245
  233   1HD2  LEU  33          HD21      LEU  33  -0.480  -4.112  -1.476
  234   2HD2  LEU  33          HD22      LEU  33  -1.732  -5.078  -0.694
  235   3HD2  LEU  33          HD23      LEU  33  -1.055  -5.595  -2.238
  236    H    CYS  34           HN       CYS  34  -1.006  -7.721   2.076
  237    HA   CYS  34           HA       CYS  34   0.080  -7.896   4.777
  238   1HB   CYS  34          HB2       CYS  34  -0.800 -10.323   4.517
  239   2HB   CYS  34          HB1       CYS  34  -1.976  -9.024   4.682
  240    HA   PRO  35           HA       PRO  35   3.915  -8.769   2.692
  241   1HB   PRO  35          HB2       PRO  35   5.353  -9.302   4.978
  242   2HB   PRO  35          HB1       PRO  35   5.027  -7.682   4.352
  243   1HG   PRO  35          HG2       PRO  35   3.620  -9.198   6.514
  244   2HG   PRO  35          HG1       PRO  35   4.077  -7.484   6.461
  245   1HD   PRO  35          HD2       PRO  35   1.559  -8.279   5.985
  246   2HD   PRO  35          HD1       PRO  35   2.284  -6.923   5.099
  247    H    ASP  36           HN       ASP  36   3.038 -10.931   5.408
  248    HA   ASP  36           HA       ASP  36   4.658 -13.076   4.729
  249   1HB   ASP  36          HB2       ASP  36   3.365 -12.852   6.860
  250   2HB   ASP  36          HB1       ASP  36   1.906 -13.283   5.973
  251    H    CYS  37           HN       CYS  37   1.175 -12.805   4.026
  252    HA   CYS  37           HA       CYS  37   1.638 -14.406   1.611
  253   1HB   CYS  37          HB2       CYS  37  -0.820 -14.715   1.572
  254   2HB   CYS  37          HB1       CYS  37  -0.107 -15.296   3.071
  255    H    ARG  38           HN       ARG  38   2.533 -12.741   0.348
  256    HA   ARG  38           HA       ARG  38   1.338 -10.132   0.288
  257   1HB   ARG  38          HB2       ARG  38   3.777 -10.497   0.036
  258   2HB   ARG  38          HB1       ARG  38   3.482 -11.256  -1.521
  259   1HG   ARG  38          HG2       ARG  38   2.822  -9.252  -2.512
  260   2HG   ARG  38          HG1       ARG  38   2.552  -8.468  -0.955
  261   1HD   ARG  38          HD2       ARG  38   4.575  -7.625  -1.985
  262   2HD   ARG  38          HD1       ARG  38   4.962  -8.518  -0.519
  263    HE   ARG  38           HE       ARG  38   5.119 -10.133  -2.883
  264   1HH1  ARG  38          HH11      ARG  38   6.863  -7.836  -0.896
  265   2HH1  ARG  38          HH12      ARG  38   8.430  -8.359  -1.431
  266   1HH2  ARG  38          HH21      ARG  38   7.157 -10.828  -3.595
  267   2HH2  ARG  38          HH22      ARG  38   8.598 -10.078  -2.962
  268    H    GLN  39           HN       GLN  39  -0.665 -10.291  -0.376
  269    HA   GLN  39           HA       GLN  39  -1.260 -10.057  -3.089
  270   1HB   GLN  39          HB2       GLN  39  -3.059 -12.107  -2.720
  271   2HB   GLN  39          HB1       GLN  39  -1.616 -12.192  -3.705
  272   1HG   GLN  39          HG2       GLN  39  -1.651 -14.135  -2.412
  273   2HG   GLN  39          HG1       GLN  39  -0.423 -13.102  -1.699
  274   1HE2  GLN  39          HE21      GLN  39  -2.013 -15.352  -0.680
  275   2HE2  GLN  39          HE22      GLN  39  -2.762 -14.780   0.774
  276    HA   PRO  40           HA       PRO  40  -4.782  -7.756  -1.773
  277   1HB   PRO  40          HB2       PRO  40  -6.548  -9.945  -2.808
  278   2HB   PRO  40          HB1       PRO  40  -6.687  -8.196  -3.019
  279   1HG   PRO  40          HG2       PRO  40  -5.697  -9.722  -4.961
  280   2HG   PRO  40          HG1       PRO  40  -5.016  -8.122  -4.623
  281   1HD   PRO  40          HD2       PRO  40  -3.898 -10.807  -4.067
  282   2HD   PRO  40          HD1       PRO  40  -3.060  -9.270  -4.347
  283    H    LEU  41           HN       LEU  41  -6.206  -7.541  -0.080
  284    HA   LEU  41           HA       LEU  41  -6.308  -9.826   1.771
  285   1HB   LEU  41          HB2       LEU  41  -6.315  -6.868   2.393
  286   2HB   LEU  41          HB1       LEU  41  -6.479  -8.143   3.581
  287    HG   LEU  41           HG       LEU  41  -4.169  -8.939   2.759
  288   1HD1  LEU  41          HD11      LEU  41  -2.740  -7.183   1.850
  289   2HD1  LEU  41          HD12      LEU  41  -4.135  -6.110   1.719
  290   3HD1  LEU  41          HD13      LEU  41  -4.056  -7.579   0.746
  291   1HD2  LEU  41          HD21      LEU  41  -4.561  -7.970   4.946
  292   2HD2  LEU  41          HD22      LEU  41  -4.476  -6.346   4.267
  293   3HD2  LEU  41          HD23      LEU  41  -3.043  -7.375   4.275
  294    H    GLN  42           HN       GLN  42  -8.132  -9.012   3.557
  295    HA   GLN  42           HA       GLN  42 -10.606  -9.131   2.061
  296   1HB   GLN  42          HB2       GLN  42 -10.369 -10.589   3.995
  297   2HB   GLN  42          HB1       GLN  42 -10.032  -9.210   5.032
  298   1HG   GLN  42          HG2       GLN  42 -12.273  -9.929   5.413
  299   2HG   GLN  42          HG1       GLN  42 -12.317  -8.372   4.589
  300   1HE2  GLN  42          HE21      GLN  42 -14.318 -10.509   4.785
  301   2HE2  GLN  42          HE22      GLN  42 -14.718 -10.938   3.155
  302    H    VAL  43           HN       VAL  43 -11.916  -7.459   1.711
  303    HA   VAL  43           HA       VAL  43 -11.009  -4.827   2.449
  304    HB   VAL  43           HB       VAL  43 -13.527  -5.621   0.970
  305   1HG1  VAL  43          HG11      VAL  43 -13.522  -3.323   0.151
  306   2HG1  VAL  43          HG12      VAL  43 -12.093  -2.976   1.124
  307   3HG1  VAL  43          HG13      VAL  43 -13.620  -3.370   1.913
  308   1HG2  VAL  43          HG21      VAL  43 -11.536  -6.422  -0.186
  309   2HG2  VAL  43          HG22      VAL  43 -10.833  -4.806  -0.114
  310   3HG2  VAL  43          HG23      VAL  43 -12.287  -5.095  -1.072
  311    H    LEU  44           HN       LEU  44 -11.322  -4.288   4.516
  312    HA   LEU  44           HA       LEU  44 -13.870  -4.920   5.803
  313   1HB   LEU  44          HB2       LEU  44 -11.362  -3.687   6.945
  314   2HB   LEU  44          HB1       LEU  44 -12.788  -4.127   7.864
  315    HG   LEU  44           HG       LEU  44 -10.888  -6.008   6.460
  316   1HD1  LEU  44          HD11      LEU  44 -11.566  -5.627   9.372
  317   2HD1  LEU  44          HD12      LEU  44 -10.087  -5.084   8.579
  318   3HD1  LEU  44          HD13      LEU  44 -10.434  -6.808   8.711
  319   1HD2  LEU  44          HD21      LEU  44 -13.171  -6.826   6.231
  320   2HD2  LEU  44          HD22      LEU  44 -13.433  -6.622   7.963
  321   3HD2  LEU  44          HD23      LEU  44 -12.268  -7.812   7.380
  322    H    LYS  45           HN       LYS  45 -15.393  -3.430   6.195
  323    HA   LYS  45           HA       LYS  45 -14.861  -0.740   5.162
  324   1HB   LYS  45          HB2       LYS  45 -17.457  -2.211   5.624
  325   2HB   LYS  45          HB1       LYS  45 -17.352  -0.543   5.077
  326   1HG   LYS  45          HG2       LYS  45 -16.200  -1.260   3.061
  327   2HG   LYS  45          HG1       LYS  45 -16.245  -2.934   3.620
  328   1HD   LYS  45          HD2       LYS  45 -18.679  -2.899   3.570
  329   2HD   LYS  45          HD1       LYS  45 -18.657  -1.209   3.059
  330   1HE   LYS  45          HE2       LYS  45 -17.548  -1.813   0.995
  331   2HE   LYS  45          HE1       LYS  45 -17.444  -3.495   1.514
  332   1HZ   LYS  45          HZ1       LYS  45 -19.952  -1.988   0.992
  333   2HZ   LYS  45          HZ2       LYS  45 -19.862  -3.597   1.523
  334   3HZ   LYS  45          HZ3       LYS  45 -19.273  -3.178  -0.013
  335    H    ALA  46           HN       ALA  46 -14.654   0.889   6.498
  336    HA   ALA  46           HA       ALA  46 -15.939   0.733   9.145
  337   1HB   ALA  46          HB1       ALA  46 -13.480   2.294   8.340
  338   2HB   ALA  46          HB2       ALA  46 -13.497   0.816   9.302
  339   3HB   ALA  46          HB3       ALA  46 -14.222   2.292   9.939
  340    H    CYS  47           HN       CYS  47 -16.430   3.031   9.986
  341    HA   CYS  47           HA       CYS  47 -18.372   4.165   8.349
  342   1HB   CYS  47          HB2       CYS  47 -18.308   6.077   9.983
  343   2HB   CYS  47          HB1       CYS  47 -18.502   4.483  10.703
  344    HG   CYS  47           HG       CYS  47 -16.870   5.593  12.487
  345    H    GLY  48           HN       GLY  48 -15.051   5.269   8.947
  346   1HA   GLY  48          HA2       GLY  48 -15.323   6.972   6.552
  347   2HA   GLY  48          HA1       GLY  48 -14.549   7.572   8.012
  348    H    ALA  49           HN       ALA  49 -14.161   4.290   6.838
  349    HA   ALA  49           HA       ALA  49 -11.623   4.835   5.597
  350   1HB   ALA  49          HB1       ALA  49 -11.670   3.317   8.203
  351   2HB   ALA  49          HB2       ALA  49 -10.994   4.927   7.960
  352   3HB   ALA  49          HB3       ALA  49 -10.269   3.536   7.156
  353    H    VAL  50           HN       VAL  50 -10.693   2.988   4.608
  354    HA   VAL  50           HA       VAL  50 -12.357   0.563   4.587
  355    HB   VAL  50           HB       VAL  50 -11.017   1.781   2.155
  356   1HG1  VAL  50          HG11      VAL  50 -12.757  -0.669   2.416
  357   2HG1  VAL  50          HG12      VAL  50 -11.022  -0.654   2.101
  358   3HG1  VAL  50          HG13      VAL  50 -12.141   0.001   0.904
  359   1HG2  VAL  50          HG21      VAL  50 -13.947   1.574   2.851
  360   2HG2  VAL  50          HG22      VAL  50 -13.299   2.128   1.306
  361   3HG2  VAL  50          HG23      VAL  50 -12.993   3.054   2.775
  362    H    ASP  51           HN       ASP  51 -11.121  -0.917   5.572
  363    HA   ASP  51           HA       ASP  51  -8.206  -0.636   5.401
  364   1HB   ASP  51          HB2       ASP  51  -9.919  -2.234   7.314
  365   2HB   ASP  51          HB1       ASP  51  -8.163  -2.166   7.357
  366    H    TYR  52           HN       TYR  52  -6.917  -2.149   4.524
  367    HA   TYR  52           HA       TYR  52  -8.125  -4.621   3.541
  368   1HB   TYR  52          HB2       TYR  52  -5.475  -3.294   3.015
  369   2HB   TYR  52          HB1       TYR  52  -5.764  -4.969   2.574
  370    HD1  TYR  52           HD2      TYR  52  -7.631  -5.480   0.952
  371    HD2  TYR  52           HD1      TYR  52  -6.198  -1.533   1.632
  372    HE1  TYR  52           HE2      TYR  52  -8.617  -4.764  -1.181
  373    HE2  TYR  52           HE1      TYR  52  -7.179  -0.806  -0.505
  374    HH   TYR  52           HH       TYR  52  -7.846  -1.851  -2.672
  375    H    PHE  53           HN       PHE  53  -8.234  -6.171   4.985
  376    HA   PHE  53           HA       PHE  53  -5.913  -6.888   6.610
  377   1HB   PHE  53          HB2       PHE  53  -7.467  -5.095   7.750
  378   2HB   PHE  53          HB1       PHE  53  -8.549  -6.458   7.992
  379    HD1  PHE  53           HD1      PHE  53  -7.704  -8.439   9.321
  380    HD2  PHE  53           HD2      PHE  53  -5.668  -4.708   9.156
  381    HE1  PHE  53           HE1      PHE  53  -6.500  -9.006  11.391
  382    HE2  PHE  53           HE2      PHE  53  -4.456  -5.271  11.221
  383    HZ   PHE  53           HZ       PHE  53  -4.874  -7.423  12.342
  384    H    CYS  54           HN       CYS  54  -5.802  -9.018   5.997
  385    HA   CYS  54           HA       CYS  54  -8.220 -10.335   5.166
  386   1HB   CYS  54          HB2       CYS  54  -6.562 -12.284   4.793
  387   2HB   CYS  54          HB1       CYS  54  -6.426 -10.862   3.768
  388    H    GLN  55           HN       GLN  55  -9.399 -10.453   7.061
  389    HA   GLN  55           HA       GLN  55  -8.451 -11.896   9.364
  390   1HB   GLN  55          HB2       GLN  55 -11.179 -10.916   8.502
  391   2HB   GLN  55          HB1       GLN  55 -10.919 -11.805   9.995
  392   1HG   GLN  55          HG2       GLN  55  -9.346  -9.328   9.450
  393   2HG   GLN  55          HG1       GLN  55 -11.013  -9.213  10.015
  394   1HE2  GLN  55          HE21      GLN  55 -11.530  -9.946  12.077
  395   2HE2  GLN  55          HE22      GLN  55 -10.323 -10.218  13.285
  396    H    ASN  56           HN       ASN  56 -11.252 -12.518   7.277
  397    HA   ASN  56           HA       ASN  56 -10.882 -15.380   7.627
  398   1HB   ASN  56          HB2       ASN  56 -13.161 -14.386   7.758
  399   2HB   ASN  56          HB1       ASN  56 -13.012 -13.893   6.074
  400   1HD2  ASN  56          HD21      ASN  56 -14.702 -15.124   5.341
  401   2HD2  ASN  56          HD22      ASN  56 -14.652 -16.855   5.287
  402    H    GLY  57           HN       GLY  57  -9.459 -16.338   6.348
  403   1HA   GLY  57          HA2       GLY  57  -9.451 -17.027   3.875
  404   2HA   GLY  57          HA1       GLY  57  -9.138 -15.319   3.604
  405    H    HIS  58           HN       HIS  58  -7.300 -14.676   5.493
  406    HA   HIS  58           HA       HIS  58  -5.071 -16.483   4.806
  407   1HB   HIS  58          HB2       HIS  58  -4.913 -13.481   5.185
  408   2HB   HIS  58          HB1       HIS  58  -3.573 -14.545   4.777
  409    HD2  HIS  58           HD2      HIS  58  -5.691 -16.066   2.425
  410    HE1  HIS  58           HE1      HIS  58  -5.086 -12.317   0.544
  411    HE2  HIS  58           HE2      HIS  58  -6.042 -14.633   0.298
  412    H    GLY  59           HN       GLY  59  -5.864 -13.892   7.167
  413   1HA   GLY  59          HA2       GLY  59  -5.879 -15.531   9.406
  414   2HA   GLY  59          HA1       GLY  59  -4.212 -15.010   9.198
  415    H    LEU  60           HN       LEU  60  -3.628 -13.020   9.787
  416    HA   LEU  60           HA       LEU  60  -5.174 -10.720   9.759
  417   1HB   LEU  60          HB2       LEU  60  -5.455 -10.290  12.195
  418   2HB   LEU  60          HB1       LEU  60  -6.490 -11.560  11.581
  419    HG   LEU  60           HG       LEU  60  -4.064 -12.708  12.624
  420   1HD1  LEU  60          HD11      LEU  60  -4.387 -12.112  14.978
  421   2HD1  LEU  60          HD12      LEU  60  -5.615 -10.935  14.508
  422   3HD1  LEU  60          HD13      LEU  60  -3.939 -10.711  14.004
  423   1HD2  LEU  60          HD21      LEU  60  -6.943 -12.865  13.517
  424   2HD2  LEU  60          HD22      LEU  60  -5.652 -13.979  13.971
  425   3HD2  LEU  60          HD23      LEU  60  -6.186 -13.884  12.293
  426    H    ILE  61           HN       ILE  61  -3.550  -9.483   9.194
  427    HA   ILE  61           HA       ILE  61  -0.890  -9.935  10.279
  428    HB   ILE  61           HB       ILE  61  -1.673  -7.837   8.258
  429   1HG1  ILE  61          HG12      ILE  61  -2.465  -9.980   7.406
  430   2HG1  ILE  61          HG11      ILE  61  -1.050  -9.460   6.500
  431   1HG2  ILE  61          HG21      ILE  61   0.530  -7.594   9.265
  432   2HG2  ILE  61          HG22      ILE  61   0.663  -8.029   7.562
  433   3HG2  ILE  61          HG23      ILE  61   0.935  -9.248   8.809
  434   1HD1  ILE  61          HD11      ILE  61  -1.064 -11.516   8.697
  435   2HD1  ILE  61          HD12      ILE  61   0.335 -11.023   7.742
  436   3HD1  ILE  61          HD13      ILE  61  -1.018 -11.849   6.965
  437    H    SER  62           HN       SER  62  -0.081  -8.780  11.916
  438    HA   SER  62           HA       SER  62  -1.463  -6.893  13.387
  439   1HB   SER  62          HB2       SER  62   0.651  -8.094  14.075
  440   2HB   SER  62          HB1       SER  62   1.550  -6.941  13.090
  441    HG   SER  62           HG       SER  62  -0.195  -6.244  15.220
  442    H    LYS  63           HN       LYS  63  -1.787  -4.726  13.276
  443    HA   LYS  63           HA       LYS  63  -1.630  -3.539  10.723
  444   1HB   LYS  63          HB2       LYS  63  -2.577  -1.559  11.756
  445   2HB   LYS  63          HB1       LYS  63  -3.383  -2.998  12.362
  446   1HG   LYS  63          HG2       LYS  63  -2.073  -2.877  14.417
  447   2HG   LYS  63          HG1       LYS  63  -1.245  -1.441  13.808
  448   1HD   LYS  63          HD2       LYS  63  -3.430  -0.291  13.670
  449   2HD   LYS  63          HD1       LYS  63  -4.198  -1.714  14.377
  450   1HE   LYS  63          HE2       LYS  63  -2.808  -1.446  16.382
  451   2HE   LYS  63          HE1       LYS  63  -2.074  -0.007  15.675
  452   1HZ   LYS  63          HZ1       LYS  63  -4.933  -0.359  16.398
  453   2HZ   LYS  63          HZ2       LYS  63  -4.303   1.000  15.597
  454   3HZ   LYS  63          HZ3       LYS  63  -3.806   0.640  17.179
  455    H    LYS  64           HN       LYS  64   0.703  -3.746  13.172
  456    HA   LYS  64           HA       LYS  64   2.100  -1.321  12.402
  457   1HB   LYS  64          HB2       LYS  64   3.087  -3.561  14.179
  458   2HB   LYS  64          HB1       LYS  64   3.739  -1.934  14.065
  459   1HG   LYS  64          HG2       LYS  64   1.514  -1.109  14.918
  460   2HG   LYS  64          HG1       LYS  64   1.118  -2.795  15.258
  461   1HD   LYS  64          HD2       LYS  64   3.413  -1.203  16.399
  462   2HD   LYS  64          HD1       LYS  64   1.975  -1.751  17.259
  463   1HE   LYS  64          HE2       LYS  64   2.638  -4.060  16.974
  464   2HE   LYS  64          HE1       LYS  64   4.017  -3.571  15.989
  465   1HZ   LYS  64          HZ1       LYS  64   4.748  -4.041  18.206
  466   2HZ   LYS  64          HZ2       LYS  64   3.599  -2.986  18.872
  467   3HZ   LYS  64          HZ3       LYS  64   4.880  -2.370  17.943
  468    H    ARG  65           HN       ARG  65   1.849  -4.510  11.324
  469    HA   ARG  65           HA       ARG  65   4.515  -4.408  10.078
  470   1HB   ARG  65          HB2       ARG  65   4.158  -6.300  11.627
  471   2HB   ARG  65          HB1       ARG  65   2.791  -6.828  10.657
  472   1HG   ARG  65          HG2       ARG  65   4.151  -7.500   8.888
  473   2HG   ARG  65          HG1       ARG  65   5.525  -6.552   9.462
  474   1HD   ARG  65          HD2       ARG  65   4.367  -8.948  10.877
  475   2HD   ARG  65          HD1       ARG  65   5.785  -8.986   9.829
  476    HE   ARG  65           HE       ARG  65   5.821  -7.164  12.121
  477   1HH1  ARG  65          HH11      ARG  65   6.944 -10.140  10.640
  478   2HH1  ARG  65          HH12      ARG  65   8.268 -10.335  11.755
  479   1HH2  ARG  65          HH21      ARG  65   7.557  -7.414  13.561
  480   2HH2  ARG  65          HH22      ARG  65   8.628  -8.775  13.408
  481    H    VAL  66           HN       VAL  66   1.263  -4.032   9.455
  482    HA   VAL  66           HA       VAL  66   0.989  -5.126   6.881
  483    HB   VAL  66           HB       VAL  66  -0.288  -2.592   7.944
  484   1HG1  VAL  66          HG11      VAL  66  -0.422  -2.746   5.520
  485   2HG1  VAL  66          HG12      VAL  66  -2.006  -3.003   6.249
  486   3HG1  VAL  66          HG13      VAL  66  -1.081  -4.378   5.645
  487   1HG2  VAL  66          HG21      VAL  66  -0.779  -4.502   9.364
  488   2HG2  VAL  66          HG22      VAL  66  -1.296  -5.431   7.957
  489   3HG2  VAL  66          HG23      VAL  66  -2.210  -4.009   8.461
  490    H    ASN  67           HN       ASN  67   2.040  -4.651   5.079
  491    HA   ASN  67           HA       ASN  67   3.755  -2.291   5.064
  492   1HB   ASN  67          HB2       ASN  67   4.684  -4.555   4.525
  493   2HB   ASN  67          HB1       ASN  67   3.673  -4.578   3.084
  494   1HD2  ASN  67          HD21      ASN  67   4.162  -3.178   1.376
  495   2HD2  ASN  67          HD22      ASN  67   5.708  -2.418   1.239
  496    H    PHE  68           HN       PHE  68   2.540  -0.572   4.492
  497    HA   PHE  68           HA       PHE  68   0.600  -0.648   2.391
  498   1HB   PHE  68          HB2       PHE  68   1.918   1.865   3.407
  499   2HB   PHE  68          HB1       PHE  68   0.282   1.659   2.795
  500    HD1  PHE  68           HD2      PHE  68  -1.069  -0.229   4.287
  501    HD2  PHE  68           HD1      PHE  68   2.080   2.304   5.628
  502    HE1  PHE  68           HE2      PHE  68  -1.881  -0.448   6.595
  503    HE2  PHE  68           HE1      PHE  68   1.274   2.081   7.942
  504    HZ   PHE  68           HZ       PHE  68  -0.711   0.708   8.427
  505    H    VAL  69           HN       VAL  69   1.309  -1.078   0.371
  506    HA   VAL  69           HA       VAL  69   3.844   0.170  -0.473
  507    HB   VAL  69           HB       VAL  69   3.992  -2.287  -0.178
  508   1HG1  VAL  69          HG11      VAL  69   1.705  -2.885  -0.766
  509   2HG1  VAL  69          HG12      VAL  69   2.869  -3.782  -1.742
  510   3HG1  VAL  69          HG13      VAL  69   2.002  -2.412  -2.439
  511   1HG2  VAL  69          HG21      VAL  69   5.037  -2.778  -2.339
  512   2HG2  VAL  69          HG22      VAL  69   5.475  -1.175  -1.745
  513   3HG2  VAL  69          HG23      VAL  69   4.276  -1.344  -3.027
  514    H    ILE  70           HN       ILE  70   4.016   0.967  -2.548
  515    HA   ILE  70           HA       ILE  70   1.711   1.999  -3.802
  516    HB   ILE  70           HB       ILE  70   4.448   1.620  -5.039
  517   1HG1  ILE  70          HG12      ILE  70   3.406   4.003  -3.490
  518   2HG1  ILE  70          HG11      ILE  70   4.515   2.802  -2.837
  519   1HG2  ILE  70          HG21      ILE  70   3.822   3.537  -6.427
  520   2HG2  ILE  70          HG22      ILE  70   2.239   3.584  -5.650
  521   3HG2  ILE  70          HG23      ILE  70   2.697   2.195  -6.637
  522   1HD1  ILE  70          HD11      ILE  70   5.060   4.617  -5.173
  523   2HD1  ILE  70          HD12      ILE  70   6.172   3.418  -4.513
  524   3HD1  ILE  70          HD13      ILE  70   5.689   4.805  -3.536
  525    H    SER  71           HN       SER  71   0.374   1.092  -5.261
  526    HA   SER  71           HA       SER  71   1.149  -1.524  -6.363
  527   1HB   SER  71          HB2       SER  71  -1.641  -0.449  -5.890
  528   2HB   SER  71          HB1       SER  71  -1.217  -2.082  -6.405
  529    HG   SER  71           HG       SER  71   0.014  -1.210  -4.084
  530    H    ASP  72           HN       ASP  72   0.055  -2.047  -8.489
  531    HA   ASP  72           HA       ASP  72   0.732  -0.064 -10.405
  532   1HB   ASP  72          HB2       ASP  72  -0.742  -2.686 -10.701
  533   2HB   ASP  72          HB1       ASP  72  -0.307  -1.657 -12.059
  534    H    GLN  73           HN       GLN  73  -0.402   1.720 -10.589
  535    HA   GLN  73           HA       GLN  73  -3.348   1.556 -10.595
  536   1HB   GLN  73          HB2       GLN  73  -1.540   3.798  -9.666
  537   2HB   GLN  73          HB1       GLN  73  -3.286   3.930  -9.805
  538   1HG   GLN  73          HG2       GLN  73  -1.950   1.872  -8.078
  539   2HG   GLN  73          HG1       GLN  73  -2.358   3.488  -7.502
  540   1HE2  GLN  73          HE21      GLN  73  -4.496   4.048  -7.221
  541   2HE2  GLN  73          HE22      GLN  73  -5.774   2.878  -7.184
  542    H    LEU  74           HN       LEU  74  -0.532   2.442 -12.325
  543    HA   LEU  74           HA       LEU  74  -1.813   4.500 -13.905
  544   1HB   LEU  74          HB2       LEU  74   0.543   4.694 -13.250
  545   2HB   LEU  74          HB1       LEU  74   0.916   3.244 -14.162
  546    HG   LEU  74           HG       LEU  74   0.220   4.425 -16.243
  547   1HD1  LEU  74          HD11      LEU  74  -0.025   6.852 -16.192
  548   2HD1  LEU  74          HD12      LEU  74   0.087   6.832 -14.431
  549   3HD1  LEU  74          HD13      LEU  74  -1.280   6.062 -15.238
  550   1HD2  LEU  74          HD21      LEU  74   2.217   5.835 -16.389
  551   2HD2  LEU  74          HD22      LEU  74   2.568   4.293 -15.606
  552   3HD2  LEU  74          HD23      LEU  74   2.399   5.756 -14.636
  553    H    GLU  75           HN       GLU  75  -3.028   4.101 -15.579
  554    HA   GLU  75           HA       GLU  75  -3.711   3.442 -17.612
  555   1HB   GLU  75          HB2       GLU  75  -0.916   2.373 -17.703
  556   2HB   GLU  75          HB1       GLU  75  -2.033   2.131 -19.041
  557   1HG   GLU  75          HG2       GLU  75  -1.079   4.752 -17.920
  558   2HG   GLU  75          HG1       GLU  75  -0.692   4.052 -19.493
  559    H    HIS  76           HN       HIS  76  -2.884   1.052 -15.327
  560    HA   HIS  76           HA       HIS  76  -3.703  -1.172 -16.945
  561   1HB   HIS  76          HB2       HIS  76  -2.835  -0.874 -14.097
  562   2HB   HIS  76          HB1       HIS  76  -3.568  -2.377 -14.650
  563    HD1  HIS  76           HD1      HIS  76  -0.543  -0.194 -15.248
  564    HD2  HIS  76           HD2      HIS  76  -1.943  -3.996 -16.178
  565    HE1  HIS  76           HE1      HIS  76   1.407  -1.403 -16.264
  566    HE2  HIS  76           HE2      HIS  76   0.459  -3.606 -17.049
  567    H    HIS  77           HN       HIS  77  -5.511   1.198 -15.802
  568    HA   HIS  77           HA       HIS  77  -7.760  -0.428 -14.956
  569   1HB   HIS  77          HB2       HIS  77  -7.326   1.960 -14.149
  570   2HB   HIS  77          HB1       HIS  77  -7.848   2.489 -15.743
  571    HD1  HIS  77           HD1      HIS  77  -9.142   0.930 -12.575
  572    HD2  HIS  77           HD2      HIS  77 -10.599   2.406 -16.183
  573    HE1  HIS  77           HE1      HIS  77 -11.636   1.060 -12.299
  574    HE2  HIS  77           HE2      HIS  77 -12.505   1.734 -14.567
  575    H    HIS  78           HN       HIS  78  -6.241   0.376 -17.815
  576    HA   HIS  78           HA       HIS  78  -8.574   0.165 -19.518
  577   1HB   HIS  78          HB2       HIS  78  -5.606   0.108 -20.123
  578   2HB   HIS  78          HB1       HIS  78  -6.854  -0.038 -21.355
  579    HD1  HIS  78           HD1      HIS  78  -7.474   2.099 -22.445
  580    HD2  HIS  78           HD2      HIS  78  -5.905   2.701 -18.639
  581    HE1  HIS  78           HE1      HIS  78  -7.354   4.593 -22.145
  582    HE2  HIS  78           HE2      HIS  78  -6.301   4.935 -19.876
  583    H    HIS  79           HN       HIS  79  -8.993  -1.695 -20.880
  584    HA   HIS  79           HA       HIS  79  -7.711  -4.168 -20.130
  585   1HB   HIS  79          HB2       HIS  79  -9.893  -5.211 -19.363
  586   2HB   HIS  79          HB1       HIS  79  -9.136  -4.088 -18.243
  587    HD1  HIS  79           HD1      HIS  79 -12.347  -4.919 -19.514
  588    HD2  HIS  79           HD2      HIS  79 -10.411  -1.353 -18.593
  589    HE1  HIS  79           HE1      HIS  79 -14.168  -3.211 -19.217
  590    HE2  HIS  79           HE2      HIS  79 -12.977  -1.106 -18.489
  591    H    HIS  80           HN       HIS  80  -7.711  -5.530 -21.714
  592    HA   HIS  80           HA       HIS  80  -9.926  -5.813 -23.539
  593   1HB   HIS  80          HB2       HIS  80  -8.719  -4.014 -24.662
  594   2HB   HIS  80          HB1       HIS  80  -7.213  -4.918 -24.553
  595    HD1  HIS  80           HD1      HIS  80 -10.664  -5.400 -26.106
  596    HD2  HIS  80           HD2      HIS  80  -6.667  -6.312 -26.811
  597    HE1  HIS  80           HE1      HIS  80 -10.611  -6.550 -28.344
  598    HE2  HIS  80           HE2      HIS  80  -8.184  -7.113 -28.748
  599    H    HIS  81           HN       HIS  81  -6.596  -6.639 -22.712
  600    HA   HIS  81           HA       HIS  81  -7.355  -9.453 -23.044
  601   1HB   HIS  81          HB2       HIS  81  -4.909  -9.953 -23.387
  602   2HB   HIS  81          HB1       HIS  81  -5.676  -9.080 -24.702
  603    HD1  HIS  81           HD1      HIS  81  -3.159  -8.625 -21.931
  604    HD2  HIS  81           HD2      HIS  81  -4.606  -6.581 -25.247
  605    HE1  HIS  81           HE1      HIS  81  -1.557  -6.725 -22.306
  606    HE2  HIS  81           HE2      HIS  81  -2.353  -5.617 -24.427
  Start of MODEL   12
    1   1H    MET   1          HT1       MET   1  12.060  -1.168   4.807
    2   2H    MET   1          HT2       MET   1  12.161   0.405   4.183
    3   3H    MET   1          HT3       MET   1  10.868  -0.599   3.743
    4    HA   MET   1           HA       MET   1   9.940  -0.550   5.881
    5   1HB   MET   1          HB2       MET   1  10.972   0.668   7.740
    6   2HB   MET   1          HB1       MET   1  12.021  -0.620   7.168
    7   1HG   MET   1          HG2       MET   1  13.356   1.023   5.941
    8   2HG   MET   1          HG1       MET   1  12.309   2.309   6.535
    9   1HE   MET   1          HE1       MET   1  11.743   1.350   9.517
   10   2HE   MET   1          HE2       MET   1  12.146   3.017   9.108
   11   3HE   MET   1          HE3       MET   1  13.019   2.191  10.398
   12    H    GLU   2           HN       GLU   2  11.641   2.091   4.267
   13    HA   GLU   2           HA       GLU   2   9.231   3.751   4.615
   14   1HB   GLU   2          HB2       GLU   2  11.166   4.652   5.843
   15   2HB   GLU   2          HB1       GLU   2  12.111   4.642   4.360
   16   1HG   GLU   2          HG2       GLU   2  10.644   6.304   3.383
   17   2HG   GLU   2          HG1       GLU   2   9.633   6.286   4.828
   18    H    ILE   3           HN       ILE   3   8.235   4.339   2.787
   19    HA   ILE   3           HA       ILE   3   9.289   3.397   0.292
   20    HB   ILE   3           HB       ILE   3   7.095   4.765  -0.488
   21   1HG1  ILE   3          HG12      ILE   3   5.336   4.193   1.272
   22   2HG1  ILE   3          HG11      ILE   3   6.666   4.023   2.410
   23   1HG2  ILE   3          HG21      ILE   3   5.918   2.617  -0.363
   24   2HG2  ILE   3          HG22      ILE   3   7.175   2.004   0.713
   25   3HG2  ILE   3          HG23      ILE   3   7.572   2.440  -0.950
   26   1HD1  ILE   3          HD11      ILE   3   7.280   6.355   2.030
   27   2HD1  ILE   3          HD12      ILE   3   5.617   6.196   2.599
   28   3HD1  ILE   3          HD13      ILE   3   5.940   6.518   0.896
   29    H    THR   4           HN       THR   4  10.351   4.452  -1.190
   30    HA   THR   4           HA       THR   4  10.570   7.384  -0.954
   31    HB   THR   4           HB       THR   4  12.740   6.910  -2.359
   32    HG1  THR   4           HG1      THR   4  11.919   4.432  -1.809
   33   1HG2  THR   4          HG21      THR   4  12.667   6.289   0.593
   34   2HG2  THR   4          HG22      THR   4  12.701   7.907  -0.111
   35   3HG2  THR   4          HG23      THR   4  14.071   6.820  -0.339
   36    H    CYS   5           HN       CYS   5  10.680   8.593  -2.912
   37    HA   CYS   5           HA       CYS   5   9.275   7.473  -5.153
   38   1HB   CYS   5          HB2       CYS   5   9.111   9.882  -4.525
   39   2HB   CYS   5          HB1       CYS   5  10.809  10.079  -4.942
   40    HA   PRO   6           HA       PRO   6  12.979   5.365  -6.438
   41   1HB   PRO   6          HB2       PRO   6  12.006   4.555  -8.891
   42   2HB   PRO   6          HB1       PRO   6  11.722   3.712  -7.367
   43   1HG   PRO   6          HG2       PRO   6   9.956   5.627  -8.831
   44   2HG   PRO   6          HG1       PRO   6   9.528   4.131  -7.981
   45   1HD   PRO   6          HD2       PRO   6   9.100   6.539  -6.881
   46   2HD   PRO   6          HD1       PRO   6   9.603   5.147  -5.898
   47    H    VAL   7           HN       VAL   7  11.406   7.868  -8.287
   48    HA   VAL   7           HA       VAL   7  13.670   8.069 -10.110
   49    HB   VAL   7           HB       VAL   7  11.309   8.174 -10.941
   50   1HG1  VAL   7          HG11      VAL   7  10.074  10.272 -10.708
   51   2HG1  VAL   7          HG12      VAL   7  11.307  10.868  -9.596
   52   3HG1  VAL   7          HG13      VAL   7  10.320   9.475  -9.154
   53   1HG2  VAL   7          HG21      VAL   7  13.048  10.566 -11.512
   54   2HG2  VAL   7          HG22      VAL   7  11.697  10.024 -12.509
   55   3HG2  VAL   7          HG23      VAL   7  13.117   8.997 -12.314
   56    H    CYS   8           HN       CYS   8  12.841   9.305  -7.112
   57    HA   CYS   8           HA       CYS   8  14.485  11.705  -7.594
   58   1HB   CYS   8          HB2       CYS   8  12.025  11.426  -5.884
   59   2HB   CYS   8          HB1       CYS   8  13.158  12.760  -5.699
   60    H    HIS   9           HN       HIS   9  14.061   8.876  -5.717
   61    HA   HIS   9           HA       HIS   9  15.242   7.955  -4.002
   62   1HB   HIS   9          HB2       HIS   9  17.212   8.546  -5.297
   63   2HB   HIS   9          HB1       HIS   9  17.182  10.184  -4.669
   64    HD1  HIS   9           HD1      HIS   9  19.052  10.496  -3.115
   65    HD2  HIS   9           HD2      HIS   9  17.423   6.680  -2.804
   66    HE1  HIS   9           HE1      HIS   9  20.338   9.354  -1.278
   67    HE2  HIS   9           HE2      HIS   9  19.238   7.106  -1.009
   68    H    HIS  10           HN       HIS  10  13.466  10.475  -3.762
   69    HA   HIS  10           HA       HIS  10  14.272  11.347  -1.086
   70   1HB   HIS  10          HB2       HIS  10  12.524  12.525  -3.215
   71   2HB   HIS  10          HB1       HIS  10  12.259  12.982  -1.536
   72    HD1  HIS  10           HD1      HIS  10  15.197  12.872  -3.986
   73    HD2  HIS  10           HD2      HIS  10  13.759  15.084  -0.768
   74    HE1  HIS  10           HE1      HIS  10  16.787  14.807  -3.725
   75    HE2  HIS  10           HE2      HIS  10  15.913  16.123  -1.753
   76    H    ALA  11           HN       ALA  11  12.749  11.339   0.624
   77    HA   ALA  11           HA       ALA  11  11.242   8.913   0.683
   78   1HB   ALA  11          HB1       ALA  11  11.397  11.121   2.730
   79   2HB   ALA  11          HB2       ALA  11  12.477   9.731   2.637
   80   3HB   ALA  11          HB3       ALA  11  10.766   9.496   2.996
   81    H    LEU  12           HN       LEU  12   9.120   8.590   0.497
   82    HA   LEU  12           HA       LEU  12   7.424  10.797  -0.310
   83   1HB   LEU  12          HB2       LEU  12   6.777   7.874   0.108
   84   2HB   LEU  12          HB1       LEU  12   5.719   9.059  -0.628
   85    HG   LEU  12           HG       LEU  12   8.378   8.227  -1.783
   86   1HD1  LEU  12          HD11      LEU  12   5.588   7.360  -2.530
   87   2HD1  LEU  12          HD12      LEU  12   6.808   6.355  -1.748
   88   3HD1  LEU  12          HD13      LEU  12   7.069   6.942  -3.391
   89   1HD2  LEU  12          HD21      LEU  12   7.679  10.446  -2.459
   90   2HD2  LEU  12          HD22      LEU  12   6.084   9.834  -2.895
   91   3HD2  LEU  12          HD23      LEU  12   7.504   9.317  -3.804
   92    H    GLU  13           HN       GLU  13   6.421  12.014   1.216
   93    HA   GLU  13           HA       GLU  13   6.168  11.091   3.903
   94   1HB   GLU  13          HB2       GLU  13   6.351  13.488   3.485
   95   2HB   GLU  13          HB1       GLU  13   4.853  13.459   2.556
   96   1HG   GLU  13          HG2       GLU  13   3.586  12.879   4.512
   97   2HG   GLU  13          HG1       GLU  13   5.056  12.717   5.466
   98    H    ARG  14           HN       ARG  14   4.746   9.724   4.636
   99    HA   ARG  14           HA       ARG  14   2.440   9.012   3.048
  100   1HB   ARG  14          HB2       ARG  14   3.835   7.325   4.278
  101   2HB   ARG  14          HB1       ARG  14   3.239   8.007   5.786
  102   1HG   ARG  14          HG2       ARG  14   0.905   7.498   4.892
  103   2HG   ARG  14          HG1       ARG  14   1.719   6.505   3.683
  104   1HD   ARG  14          HD2       ARG  14   1.033   5.138   5.559
  105   2HD   ARG  14          HD1       ARG  14   2.795   5.228   5.491
  106    HE   ARG  14           HE       ARG  14   2.661   6.884   7.303
  107   1HH1  ARG  14          HH11      ARG  14  -0.128   4.818   6.758
  108   2HH1  ARG  14          HH12      ARG  14  -0.724   4.998   8.378
  109   1HH2  ARG  14          HH21      ARG  14   1.879   7.113   9.412
  110   2HH2  ARG  14          HH22      ARG  14   0.407   6.305   9.884
  111    H    ASN  15           HN       ASN  15   0.707  10.292   3.146
  112    HA   ASN  15           HA       ASN  15   0.072  11.850   5.491
  113   1HB   ASN  15          HB2       ASN  15  -1.579  11.339   2.998
  114   2HB   ASN  15          HB1       ASN  15  -1.932  12.542   4.234
  115   1HD2  ASN  15          HD21      ASN  15   0.035  11.716   1.513
  116   2HD2  ASN  15          HD22      ASN  15   0.786  13.261   1.325
  117    H    GLY  16           HN       GLY  16  -0.377   8.710   4.493
  118   1HA   GLY  16          HA2       GLY  16  -1.354   7.379   6.458
  119   2HA   GLY  16          HA1       GLY  16  -2.804   8.311   6.094
  120    H    ASP  17           HN       ASP  17  -3.686   8.125   3.932
  121    HA   ASP  17           HA       ASP  17  -3.633   5.361   3.033
  122   1HB   ASP  17          HB2       ASP  17  -5.302   7.581   1.855
  123   2HB   ASP  17          HB1       ASP  17  -5.651   5.857   1.905
  124    H    THR  18           HN       THR  18  -2.121   8.259   2.250
  125    HA   THR  18           HA       THR  18  -1.398   7.295  -0.424
  126    HB   THR  18           HB       THR  18  -2.230  10.148   0.153
  127    HG1  THR  18           HG1      THR  18  -3.700   7.922  -0.438
  128   1HG2  THR  18          HG21      THR  18  -2.204  10.388  -2.291
  129   2HG2  THR  18          HG22      THR  18  -1.633   8.727  -2.447
  130   3HG2  THR  18          HG23      THR  18  -0.615   9.939  -1.673
  131    H    ALA  19           HN       ALA  19   0.651   7.889  -1.120
  132    HA   ALA  19           HA       ALA  19   2.360   9.237   0.876
  133   1HB   ALA  19          HB1       ALA  19   4.239   8.026  -0.127
  134   2HB   ALA  19          HB2       ALA  19   3.139   7.269  -1.280
  135   3HB   ALA  19          HB3       ALA  19   2.995   6.911   0.442
  136    H    HIS  20           HN       HIS  20   3.731  10.904   0.165
  137    HA   HIS  20           HA       HIS  20   3.026  11.955  -2.497
  138   1HB   HIS  20          HB2       HIS  20   1.648  13.025  -0.801
  139   2HB   HIS  20          HB1       HIS  20   3.075  13.432   0.139
  140    HD1  HIS  20           HD1      HIS  20   1.083  14.487  -2.832
  141    HD2  HIS  20           HD2      HIS  20   4.516  15.645  -0.782
  142    HE1  HIS  20           HE1      HIS  20   1.649  16.795  -3.681
  143    HE2  HIS  20           HE2      HIS  20   3.619  17.535  -2.286
  144    H    CYS  21           HN       CYS  21   4.704  12.566  -3.700
  145    HA   CYS  21           HA       CYS  21   7.325  12.959  -2.440
  146   1HB   CYS  21          HB2       CYS  21   7.263  11.439  -4.366
  147   2HB   CYS  21          HB1       CYS  21   6.548  12.701  -5.361
  148    H    GLU  22           HN       GLU  22   8.114  14.961  -2.122
  149    HA   GLU  22           HA       GLU  22   6.568  17.238  -2.939
  150   1HB   GLU  22          HB2       GLU  22   9.101  16.898  -1.356
  151   2HB   GLU  22          HB1       GLU  22   8.514  18.492  -1.819
  152   1HG   GLU  22          HG2       GLU  22   6.911  16.480  -0.257
  153   2HG   GLU  22          HG1       GLU  22   7.848  17.790   0.463
  154    H    THR  23           HN       THR  23   9.450  15.643  -4.048
  155    HA   THR  23           HA       THR  23  10.187  17.825  -5.798
  156    HB   THR  23           HB       THR  23  11.838  16.005  -6.660
  157    HG1  THR  23           HG1      THR  23  10.574  14.326  -5.441
  158   1HG2  THR  23          HG21      THR  23  11.992  17.077  -3.840
  159   2HG2  THR  23          HG22      THR  23  12.492  17.924  -5.304
  160   3HG2  THR  23          HG23      THR  23  13.355  16.475  -4.786
  161    H    CYS  24           HN       CYS  24   7.605  16.206  -6.008
  162    HA   CYS  24           HA       CYS  24   7.656  15.951  -8.910
  163   1HB   CYS  24          HB2       CYS  24   7.071  13.715  -7.011
  164   2HB   CYS  24          HB1       CYS  24   6.226  13.784  -8.550
  165    H    ALA  25           HN       ALA  25   5.817  16.070  -5.919
  166    HA   ALA  25           HA       ALA  25   3.741  16.786  -5.385
  167   1HB   ALA  25          HB1       ALA  25   4.125  18.719  -6.832
  168   2HB   ALA  25          HB2       ALA  25   2.448  18.177  -6.922
  169   3HB   ALA  25          HB3       ALA  25   3.571  17.791  -8.226
  170    H    LYS  26           HN       LYS  26   4.475  14.222  -6.860
  171    HA   LYS  26           HA       LYS  26   1.881  13.404  -7.898
  172   1HB   LYS  26          HB2       LYS  26   4.480  11.877  -7.621
  173   2HB   LYS  26          HB1       LYS  26   3.015  11.238  -8.349
  174   1HG   LYS  26          HG2       LYS  26   3.133  12.965 -10.082
  175   2HG   LYS  26          HG1       LYS  26   4.623  13.571  -9.361
  176   1HD   LYS  26          HD2       LYS  26   4.158  10.872 -10.623
  177   2HD   LYS  26          HD1       LYS  26   5.207  12.162 -11.211
  178   1HE   LYS  26          HE2       LYS  26   6.582  11.907  -9.161
  179   2HE   LYS  26          HE1       LYS  26   5.572  10.540  -8.692
  180   1HZ   LYS  26          HZ1       LYS  26   7.425   9.606  -9.737
  181   2HZ   LYS  26          HZ2       LYS  26   7.428  10.750 -10.987
  182   3HZ   LYS  26          HZ3       LYS  26   6.219   9.563 -10.930
  183    H    ASP  27           HN       ASP  27   0.591  11.879  -6.944
  184    HA   ASP  27           HA       ASP  27   1.255  11.202  -4.154
  185   1HB   ASP  27          HB2       ASP  27  -1.472  11.607  -5.409
  186   2HB   ASP  27          HB1       ASP  27  -1.188  11.104  -3.747
  187    H    PHE  28           HN       PHE  28   1.320   9.120  -3.614
  188    HA   PHE  28           HA       PHE  28   0.590   7.163  -5.695
  189   1HB   PHE  28          HB2       PHE  28   2.714   7.000  -3.549
  190   2HB   PHE  28          HB1       PHE  28   2.311   5.699  -4.665
  191    HD1  PHE  28           HD2      PHE  28   2.837   5.905  -7.049
  192    HD2  PHE  28           HD1      PHE  28   4.039   8.864  -4.235
  193    HE1  PHE  28           HE2      PHE  28   4.445   6.800  -8.680
  194    HE2  PHE  28           HE1      PHE  28   5.648   9.762  -5.864
  195    HZ   PHE  28           HZ       PHE  28   5.854   8.729  -8.088
  196    H    SER  29           HN       SER  29  -0.738   5.508  -5.197
  197    HA   SER  29           HA       SER  29  -2.104   5.549  -2.663
  198   1HB   SER  29          HB2       SER  29  -3.271   3.505  -3.788
  199   2HB   SER  29          HB1       SER  29  -3.547   5.116  -4.451
  200    HG   SER  29           HG       SER  29  -1.910   3.035  -5.446
  201    H    LEU  30           HN       LEU  30  -1.908   4.111  -1.009
  202    HA   LEU  30           HA       LEU  30   0.261   2.139  -1.265
  203   1HB   LEU  30          HB2       LEU  30  -0.753   3.585   1.183
  204   2HB   LEU  30          HB1       LEU  30   0.479   2.337   1.199
  205    HG   LEU  30           HG       LEU  30   0.717   5.012  -0.185
  206   1HD1  LEU  30          HD11      LEU  30   0.749   5.232   2.232
  207   2HD1  LEU  30          HD12      LEU  30   2.357   5.510   1.563
  208   3HD1  LEU  30          HD13      LEU  30   1.981   3.976   2.347
  209   1HD2  LEU  30          HD21      LEU  30   3.059   4.384  -0.510
  210   2HD2  LEU  30          HD22      LEU  30   1.973   3.260  -1.327
  211   3HD2  LEU  30          HD23      LEU  30   2.735   2.800   0.196
  212    H    GLN  31           HN       GLN  31  -0.159   0.063  -0.929
  213    HA   GLN  31           HA       GLN  31  -2.805  -0.664   0.138
  214   1HB   GLN  31          HB2       GLN  31  -1.039  -1.968  -1.912
  215   2HB   GLN  31          HB1       GLN  31  -2.223  -2.918  -1.028
  216   1HG   GLN  31          HG2       GLN  31  -3.182  -2.296  -3.104
  217   2HG   GLN  31          HG1       GLN  31  -3.984  -1.368  -1.842
  218   1HE2  GLN  31          HE21      GLN  31  -4.667   0.203  -3.256
  219   2HE2  GLN  31          HE22      GLN  31  -3.590   1.343  -3.981
  220    H    ALA  32           HN       ALA  32  -2.928  -1.948   1.886
  221    HA   ALA  32           HA       ALA  32  -0.486  -2.713   3.240
  222   1HB   ALA  32          HB1       ALA  32  -2.416  -1.771   4.494
  223   2HB   ALA  32          HB2       ALA  32  -1.914  -3.355   5.084
  224   3HB   ALA  32          HB3       ALA  32  -3.350  -3.206   4.074
  225    H    LEU  33           HN       LEU  33   0.496  -4.553   2.726
  226    HA   LEU  33           HA       LEU  33  -1.116  -6.739   1.594
  227   1HB   LEU  33          HB2       LEU  33   1.435  -5.530   0.869
  228   2HB   LEU  33          HB1       LEU  33   1.531  -7.273   0.997
  229    HG   LEU  33           HG       LEU  33  -0.162  -7.562  -0.688
  230   1HD1  LEU  33          HD11      LEU  33  -1.179  -5.686  -1.852
  231   2HD1  LEU  33          HD12      LEU  33  -0.377  -4.557  -0.757
  232   3HD1  LEU  33          HD13      LEU  33  -1.597  -5.674  -0.139
  233   1HD2  LEU  33          HD21      LEU  33   2.111  -7.254  -1.466
  234   2HD2  LEU  33          HD22      LEU  33   1.882  -5.508  -1.506
  235   3HD2  LEU  33          HD23      LEU  33   0.973  -6.540  -2.607
  236    H    CYS  34           HN       CYS  34  -0.824  -8.827   2.277
  237    HA   CYS  34           HA       CYS  34   0.629  -9.217   4.785
  238   1HB   CYS  34          HB2       CYS  34  -1.423 -10.865   3.308
  239   2HB   CYS  34          HB1       CYS  34  -0.497 -11.522   4.648
  240    HA   PRO  35           HA       PRO  35   3.982 -11.378   2.835
  241   1HB   PRO  35          HB2       PRO  35   3.984 -13.240   5.121
  242   2HB   PRO  35          HB1       PRO  35   5.241 -12.122   4.583
  243   1HG   PRO  35          HG2       PRO  35   3.820 -11.676   6.818
  244   2HG   PRO  35          HG1       PRO  35   4.357 -10.349   5.771
  245   1HD   PRO  35          HD2       PRO  35   1.656 -11.620   5.986
  246   2HD   PRO  35          HD1       PRO  35   2.083  -9.906   5.804
  247    H    ASP  36           HN       ASP  36   1.201 -13.118   4.046
  248    HA   ASP  36           HA       ASP  36   1.885 -15.550   2.612
  249   1HB   ASP  36          HB2       ASP  36   0.105 -16.573   3.736
  250   2HB   ASP  36          HB1       ASP  36   0.686 -15.397   4.908
  251    H    CYS  37           HN       CYS  37  -0.132 -12.756   2.252
  252    HA   CYS  37           HA       CYS  37  -0.884 -13.620  -0.419
  253   1HB   CYS  37          HB2       CYS  37  -3.266 -12.836   0.029
  254   2HB   CYS  37          HB1       CYS  37  -2.811 -14.379   0.734
  255    H    ARG  38           HN       ARG  38   0.169 -12.041  -1.472
  256    HA   ARG  38           HA       ARG  38   0.008  -9.316  -0.478
  257   1HB   ARG  38          HB2       ARG  38   1.567  -8.838  -2.417
  258   2HB   ARG  38          HB1       ARG  38   2.189  -9.881  -1.149
  259   1HG   ARG  38          HG2       ARG  38   1.569 -11.831  -2.595
  260   2HG   ARG  38          HG1       ARG  38   1.233 -10.667  -3.879
  261   1HD   ARG  38          HD2       ARG  38   3.421 -10.208  -4.221
  262   2HD   ARG  38          HD1       ARG  38   3.831 -10.375  -2.515
  263    HE   ARG  38           HE       ARG  38   3.416 -12.665  -4.339
  264   1HH1  ARG  38          HH11      ARG  38   5.081 -11.084  -1.689
  265   2HH1  ARG  38          HH12      ARG  38   6.115 -12.442  -1.354
  266   1HH2  ARG  38          HH21      ARG  38   4.789 -14.460  -3.904
  267   2HH2  ARG  38          HH22      ARG  38   5.946 -14.364  -2.611
  268    H    GLN  39           HN       GLN  39  -2.401 -10.188  -1.138
  269    HA   GLN  39           HA       GLN  39  -3.074  -8.813  -3.645
  270   1HB   GLN  39          HB2       GLN  39  -4.708 -10.644  -1.862
  271   2HB   GLN  39          HB1       GLN  39  -5.369  -9.785  -3.242
  272   1HG   GLN  39          HG2       GLN  39  -4.956 -11.756  -4.253
  273   2HG   GLN  39          HG1       GLN  39  -3.367 -11.028  -4.471
  274   1HE2  GLN  39          HE21      GLN  39  -5.226 -13.390  -2.733
  275   2HE2  GLN  39          HE22      GLN  39  -3.883 -14.271  -2.093
  276    HA   PRO  40           HA       PRO  40  -4.934  -5.382  -1.416
  277   1HB   PRO  40          HB2       PRO  40  -7.663  -6.010  -2.375
  278   2HB   PRO  40          HB1       PRO  40  -6.701  -4.548  -2.598
  279   1HG   PRO  40          HG2       PRO  40  -7.108  -6.237  -4.618
  280   2HG   PRO  40          HG1       PRO  40  -5.543  -5.427  -4.405
  281   1HD   PRO  40          HD2       PRO  40  -6.336  -8.234  -3.711
  282   2HD   PRO  40          HD1       PRO  40  -4.839  -7.640  -4.461
  283    H    LEU  41           HN       LEU  41  -5.520  -8.424  -0.519
  284    HA   LEU  41           HA       LEU  41  -6.388  -9.493   1.270
  285   1HB   LEU  41          HB2       LEU  41  -6.164  -6.746   2.509
  286   2HB   LEU  41          HB1       LEU  41  -6.335  -8.251   3.397
  287    HG   LEU  41           HG       LEU  41  -3.981  -7.336   1.751
  288   1HD1  LEU  41          HD11      LEU  41  -4.128  -6.368   3.969
  289   2HD1  LEU  41          HD12      LEU  41  -2.791  -7.513   3.878
  290   3HD1  LEU  41          HD13      LEU  41  -4.294  -7.974   4.679
  291   1HD2  LEU  41          HD21      LEU  41  -4.421 -10.005   3.082
  292   2HD2  LEU  41          HD22      LEU  41  -2.901  -9.443   2.386
  293   3HD2  LEU  41          HD23      LEU  41  -4.303  -9.704   1.347
  294    H    GLN  42           HN       GLN  42  -8.002  -6.843   2.720
  295    HA   GLN  42           HA       GLN  42 -10.442  -7.191   1.206
  296   1HB   GLN  42          HB2       GLN  42 -10.528  -8.856   3.088
  297   2HB   GLN  42          HB1       GLN  42 -10.401  -7.513   4.217
  298   1HG   GLN  42          HG2       GLN  42 -12.494  -6.600   3.398
  299   2HG   GLN  42          HG1       GLN  42 -12.618  -7.907   2.221
  300   1HE2  GLN  42          HE21      GLN  42 -14.417  -7.134   4.370
  301   2HE2  GLN  42          HE22      GLN  42 -14.597  -8.533   5.385
  302    H    VAL  43           HN       VAL  43 -10.769  -5.156   0.612
  303    HA   VAL  43           HA       VAL  43  -9.564  -3.000   2.021
  304    HB   VAL  43           HB       VAL  43  -9.651  -2.861  -0.360
  305   1HG1  VAL  43          HG11      VAL  43 -11.748  -2.661  -1.608
  306   2HG1  VAL  43          HG12      VAL  43 -12.651  -2.947  -0.120
  307   3HG1  VAL  43          HG13      VAL  43 -11.616  -4.212  -0.780
  308   1HG2  VAL  43          HG21      VAL  43  -9.763  -0.737   0.814
  309   2HG2  VAL  43          HG22      VAL  43 -11.524  -0.829   0.849
  310   3HG2  VAL  43          HG23      VAL  43 -10.681  -0.660  -0.691
  311    H    LEU  44           HN       LEU  44 -10.288  -1.957   3.650
  312    HA   LEU  44           HA       LEU  44 -13.187  -1.755   4.156
  313   1HB   LEU  44          HB2       LEU  44 -10.943  -1.383   6.147
  314   2HB   LEU  44          HB1       LEU  44 -12.654  -1.544   6.490
  315    HG   LEU  44           HG       LEU  44 -10.949  -3.766   5.347
  316   1HD1  LEU  44          HD11      LEU  44 -10.987  -4.720   7.586
  317   2HD1  LEU  44          HD12      LEU  44 -11.852  -3.306   8.190
  318   3HD1  LEU  44          HD13      LEU  44 -10.201  -3.143   7.593
  319   1HD2  LEU  44          HD21      LEU  44 -13.321  -3.949   4.836
  320   2HD2  LEU  44          HD22      LEU  44 -13.717  -3.741   6.542
  321   3HD2  LEU  44          HD23      LEU  44 -12.835  -5.173   6.008
  322    H    LYS  45           HN       LYS  45 -14.019   0.347   4.551
  323    HA   LYS  45           HA       LYS  45 -12.038   2.505   4.631
  324   1HB   LYS  45          HB2       LYS  45 -13.359   3.907   3.138
  325   2HB   LYS  45          HB1       LYS  45 -12.853   2.431   2.333
  326   1HG   LYS  45          HG2       LYS  45 -15.077   1.493   2.630
  327   2HG   LYS  45          HG1       LYS  45 -15.590   2.957   3.469
  328   1HD   LYS  45          HD2       LYS  45 -16.337   3.085   1.190
  329   2HD   LYS  45          HD1       LYS  45 -15.035   4.256   1.420
  330   1HE   LYS  45          HE2       LYS  45 -14.591   3.202  -0.644
  331   2HE   LYS  45          HE1       LYS  45 -13.470   2.483   0.509
  332   1HZ   LYS  45          HZ1       LYS  45 -16.005   1.288  -0.466
  333   2HZ   LYS  45          HZ2       LYS  45 -15.025   0.602   0.733
  334   3HZ   LYS  45          HZ3       LYS  45 -14.433   0.773  -0.848
  335    H    ALA  46           HN       ALA  46 -12.395   4.033   6.077
  336    HA   ALA  46           HA       ALA  46 -15.015   4.127   7.416
  337   1HB   ALA  46          HB1       ALA  46 -13.453   2.880   8.833
  338   2HB   ALA  46          HB2       ALA  46 -13.900   4.419   9.568
  339   3HB   ALA  46          HB3       ALA  46 -12.328   4.238   8.789
  340    H    CYS  47           HN       CYS  47 -15.850   6.052   7.140
  341    HA   CYS  47           HA       CYS  47 -16.126   8.264   6.801
  342   1HB   CYS  47          HB2       CYS  47 -13.442   8.563   8.166
  343   2HB   CYS  47          HB1       CYS  47 -14.637   9.833   7.932
  344    HG   CYS  47           HG       CYS  47 -16.253   7.500   9.437
  345    H    GLY  48           HN       GLY  48 -12.615   8.581   6.542
  346   1HA   GLY  48          HA2       GLY  48 -12.915   8.805   3.616
  347   2HA   GLY  48          HA1       GLY  48 -12.073  10.052   4.528
  348    H    ALA  49           HN       ALA  49 -11.522   7.124   5.985
  349    HA   ALA  49           HA       ALA  49  -8.876   6.947   4.720
  350   1HB   ALA  49          HB1       ALA  49  -9.794   5.892   7.397
  351   2HB   ALA  49          HB2       ALA  49  -8.889   7.384   7.136
  352   3HB   ALA  49          HB3       ALA  49  -8.149   5.825   6.762
  353    H    VAL  50           HN       VAL  50  -8.044   4.995   4.038
  354    HA   VAL  50           HA       VAL  50  -9.974   2.771   3.855
  355    HB   VAL  50           HB       VAL  50  -8.914   2.139   1.697
  356   1HG1  VAL  50          HG11      VAL  50 -11.010   3.355   1.707
  357   2HG1  VAL  50          HG12      VAL  50 -10.011   3.875   0.349
  358   3HG1  VAL  50          HG13      VAL  50 -10.143   4.890   1.786
  359   1HG2  VAL  50          HG21      VAL  50  -6.768   3.261   1.962
  360   2HG2  VAL  50          HG22      VAL  50  -7.568   4.832   1.915
  361   3HG2  VAL  50          HG23      VAL  50  -7.570   3.798   0.487
  362    H    ASP  51           HN       ASP  51  -9.183   0.704   4.136
  363    HA   ASP  51           HA       ASP  51  -6.357   0.382   4.828
  364   1HB   ASP  51          HB2       ASP  51  -7.580   1.029   6.900
  365   2HB   ASP  51          HB1       ASP  51  -8.615  -0.380   6.693
  366    H    TYR  52           HN       TYR  52  -5.596  -1.548   4.184
  367    HA   TYR  52           HA       TYR  52  -7.534  -3.477   3.130
  368   1HB   TYR  52          HB2       TYR  52  -4.540  -3.279   2.701
  369   2HB   TYR  52          HB1       TYR  52  -5.593  -4.479   1.963
  370    HD1  TYR  52           HD1      TYR  52  -4.629  -0.927   1.984
  371    HD2  TYR  52           HD2      TYR  52  -7.041  -3.896   0.123
  372    HE1  TYR  52           HE1      TYR  52  -5.068   0.608   0.113
  373    HE2  TYR  52           HE2      TYR  52  -7.486  -2.370  -1.750
  374    HH   TYR  52           HH       TYR  52  -7.463  -0.053  -2.276
  375    H    PHE  53           HN       PHE  53  -8.160  -4.874   4.610
  376    HA   PHE  53           HA       PHE  53  -6.229  -6.008   6.526
  377   1HB   PHE  53          HB2       PHE  53  -7.489  -3.828   7.267
  378   2HB   PHE  53          HB1       PHE  53  -8.858  -4.910   7.465
  379    HD1  PHE  53           HD2      PHE  53  -5.337  -4.377   8.520
  380    HD2  PHE  53           HD1      PHE  53  -9.113  -6.134   9.400
  381    HE1  PHE  53           HE2      PHE  53  -4.543  -4.947  10.774
  382    HE2  PHE  53           HE1      PHE  53  -8.331  -6.704  11.653
  383    HZ   PHE  53           HZ       PHE  53  -6.040  -6.109  12.348
  384    H    CYS  54           HN       CYS  54  -6.498  -8.137   6.466
  385    HA   CYS  54           HA       CYS  54  -8.706  -9.382   5.213
  386   1HB   CYS  54          HB2       CYS  54  -6.525 -10.512   6.982
  387   2HB   CYS  54          HB1       CYS  54  -7.716 -11.503   6.153
  388    H    GLN  55           HN       GLN  55 -10.613  -9.975   6.009
  389    HA   GLN  55           HA       GLN  55 -10.929 -10.068   8.937
  390   1HB   GLN  55          HB2       GLN  55 -12.987  -9.490   6.799
  391   2HB   GLN  55          HB1       GLN  55 -13.350  -9.673   8.507
  392   1HG   GLN  55          HG2       GLN  55 -11.473  -7.591   7.424
  393   2HG   GLN  55          HG1       GLN  55 -13.193  -7.320   7.693
  394   1HE2  GLN  55          HE21      GLN  55 -10.105  -7.875   9.202
  395   2HE2  GLN  55          HE22      GLN  55 -10.579  -7.373  10.790
  396    H    ASN  56           HN       ASN  56 -12.914 -11.325   6.279
  397    HA   ASN  56           HA       ASN  56 -12.951 -13.936   7.583
  398   1HB   ASN  56          HB2       ASN  56 -15.093 -12.956   6.860
  399   2HB   ASN  56          HB1       ASN  56 -14.513 -12.916   5.198
  400   1HD2  ASN  56          HD21      ASN  56 -16.116 -14.239   4.428
  401   2HD2  ASN  56          HD22      ASN  56 -16.180 -15.935   4.784
  402    H    GLY  57           HN       GLY  57 -11.420 -15.330   7.053
  403   1HA   GLY  57          HA2       GLY  57 -10.878 -16.799   5.042
  404   2HA   GLY  57          HA1       GLY  57 -10.368 -15.289   4.295
  405    H    HIS  58           HN       HIS  58  -9.104 -14.071   6.417
  406    HA   HIS  58           HA       HIS  58  -6.905 -15.927   7.061
  407   1HB   HIS  58          HB2       HIS  58  -6.235 -14.289   5.327
  408   2HB   HIS  58          HB1       HIS  58  -6.694 -12.973   6.396
  409    HD2  HIS  58           HD2      HIS  58  -4.999 -14.687   8.967
  410    HE1  HIS  58           HE1      HIS  58  -1.726 -13.282   6.674
  411    HE2  HIS  58           HE2      HIS  58  -2.446 -14.335   8.844
  412    H    GLY  59           HN       GLY  59  -7.989 -12.664   7.964
  413   1HA   GLY  59          HA2       GLY  59  -8.915 -12.476  10.299
  414   2HA   GLY  59          HA1       GLY  59  -7.489 -13.396  10.772
  415    H    LEU  60           HN       LEU  60  -7.595 -11.176  12.078
  416    HA   LEU  60           HA       LEU  60  -6.715  -8.859  10.638
  417   1HB   LEU  60          HB2       LEU  60  -6.494  -7.854  12.888
  418   2HB   LEU  60          HB1       LEU  60  -8.062  -8.582  12.613
  419    HG   LEU  60           HG       LEU  60  -6.923 -10.634  13.866
  420   1HD1  LEU  60          HD11      LEU  60  -4.740  -9.583  14.104
  421   2HD1  LEU  60          HD12      LEU  60  -5.481  -9.867  15.679
  422   3HD1  LEU  60          HD13      LEU  60  -5.470  -8.243  14.990
  423   1HD2  LEU  60          HD21      LEU  60  -8.030  -8.190  15.240
  424   2HD2  LEU  60          HD22      LEU  60  -7.930  -9.807  15.936
  425   3HD2  LEU  60          HD23      LEU  60  -8.970  -9.509  14.544
  426    H    ILE  61           HN       ILE  61  -4.742  -8.024  10.416
  427    HA   ILE  61           HA       ILE  61  -2.461  -9.552  11.479
  428    HB   ILE  61           HB       ILE  61  -2.727  -8.016   8.889
  429   1HG1  ILE  61          HG12      ILE  61  -3.599 -10.300   8.844
  430   2HG1  ILE  61          HG11      ILE  61  -2.142 -10.177   7.865
  431   1HG2  ILE  61          HG21      ILE  61  -0.216  -9.242  10.029
  432   2HG2  ILE  61          HG22      ILE  61  -0.549  -7.516   9.898
  433   3HG2  ILE  61          HG23      ILE  61  -0.380  -8.493   8.439
  434   1HD1  ILE  61          HD11      ILE  61  -2.307 -11.304  10.653
  435   2HD1  ILE  61          HD12      ILE  61  -0.844 -11.178   9.677
  436   3HD1  ILE  61          HD13      ILE  61  -2.161 -12.229   9.159
  437    H    SER  62           HN       SER  62  -1.082  -8.471  12.766
  438    HA   SER  62           HA       SER  62  -1.556  -5.911  13.742
  439   1HB   SER  62          HB2       SER  62  -0.009  -7.735  14.688
  440   2HB   SER  62          HB1       SER  62   1.204  -7.130  13.562
  441    HG   SER  62           HG       SER  62  -0.051  -5.751  15.707
  442    H    LYS  63           HN       LYS  63  -1.497  -4.027  12.689
  443    HA   LYS  63           HA       LYS  63  -0.543  -4.000   9.997
  444   1HB   LYS  63          HB2       LYS  63  -1.411  -1.652   9.986
  445   2HB   LYS  63          HB1       LYS  63  -2.582  -2.898  10.387
  446   1HG   LYS  63          HG2       LYS  63  -2.229  -2.331  12.800
  447   2HG   LYS  63          HG1       LYS  63  -1.249  -0.962  12.265
  448   1HD   LYS  63          HD2       LYS  63  -3.135  -0.060  11.034
  449   2HD   LYS  63          HD1       LYS  63  -4.118  -1.457  11.471
  450   1HE   LYS  63          HE2       LYS  63  -3.929  -0.832  13.835
  451   2HE   LYS  63          HE1       LYS  63  -2.966   0.573  13.379
  452   1HZ   LYS  63          HZ1       LYS  63  -4.866   1.372  12.079
  453   2HZ   LYS  63          HZ2       LYS  63  -5.249   1.211  13.724
  454   3HZ   LYS  63          HZ3       LYS  63  -5.790   0.053  12.609
  455    H    LYS  64           HN       LYS  64   1.242  -3.679  12.675
  456    HA   LYS  64           HA       LYS  64   3.079  -1.791  11.393
  457   1HB   LYS  64          HB2       LYS  64   3.053  -3.076  14.113
  458   2HB   LYS  64          HB1       LYS  64   4.507  -2.322  13.476
  459   1HG   LYS  64          HG2       LYS  64   3.106  -0.239  13.139
  460   2HG   LYS  64          HG1       LYS  64   1.876  -1.036  14.122
  461   1HD   LYS  64          HD2       LYS  64   3.357  -1.170  15.992
  462   2HD   LYS  64          HD1       LYS  64   4.725  -0.631  15.019
  463   1HE   LYS  64          HE2       LYS  64   3.435   1.515  14.643
  464   2HE   LYS  64          HE1       LYS  64   2.329   0.959  15.900
  465   1HZ   LYS  64          HZ1       LYS  64   5.255   1.278  16.289
  466   2HZ   LYS  64          HZ2       LYS  64   4.095   0.957  17.486
  467   3HZ   LYS  64          HZ3       LYS  64   4.112   2.457  16.699
  468    H    ARG  65           HN       ARG  65   2.254  -4.854  10.997
  469    HA   ARG  65           HA       ARG  65   4.994  -5.676  10.297
  470   1HB   ARG  65          HB2       ARG  65   2.682  -7.378  11.227
  471   2HB   ARG  65          HB1       ARG  65   4.154  -8.035  10.525
  472   1HG   ARG  65          HG2       ARG  65   5.448  -6.995  12.351
  473   2HG   ARG  65          HG1       ARG  65   3.932  -6.446  13.073
  474   1HD   ARG  65          HD2       ARG  65   4.732  -8.516  14.111
  475   2HD   ARG  65          HD1       ARG  65   3.186  -8.748  13.299
  476    HE   ARG  65           HE       ARG  65   5.442  -9.393  11.640
  477   1HH1  ARG  65          HH11      ARG  65   3.235 -10.620  14.066
  478   2HH1  ARG  65          HH12      ARG  65   3.498 -12.287  13.652
  479   1HH2  ARG  65          HH21      ARG  65   5.809 -11.579  11.103
  480   2HH2  ARG  65          HH22      ARG  65   4.984 -12.827  11.989
  481    H    VAL  66           HN       VAL  66   2.159  -4.627   9.046
  482    HA   VAL  66           HA       VAL  66   1.946  -6.391   6.781
  483    HB   VAL  66           HB       VAL  66   0.439  -4.629   5.832
  484   1HG1  VAL  66          HG11      VAL  66  -1.383  -4.961   7.401
  485   2HG1  VAL  66          HG12      VAL  66  -0.241  -5.515   8.627
  486   3HG1  VAL  66          HG13      VAL  66  -0.480  -6.455   7.152
  487   1HG2  VAL  66          HG21      VAL  66   0.970  -3.267   8.463
  488   2HG2  VAL  66          HG22      VAL  66  -0.287  -2.810   7.313
  489   3HG2  VAL  66          HG23      VAL  66   1.414  -2.675   6.861
  490    H    ASN  67           HN       ASN  67   2.373  -5.776   4.597
  491    HA   ASN  67           HA       ASN  67   4.668  -3.954   4.415
  492   1HB   ASN  67          HB2       ASN  67   4.905  -6.275   3.496
  493   2HB   ASN  67          HB1       ASN  67   3.664  -5.882   2.311
  494   1HD2  ASN  67          HD21      ASN  67   6.930  -5.268   3.351
  495   2HD2  ASN  67          HD22      ASN  67   7.469  -4.505   1.896
  496    H    PHE  68           HN       PHE  68   3.834  -1.938   4.267
  497    HA   PHE  68           HA       PHE  68   1.652  -1.311   2.503
  498   1HB   PHE  68          HB2       PHE  68   3.617   0.479   3.949
  499   2HB   PHE  68          HB1       PHE  68   2.258   1.065   3.004
  500    HD1  PHE  68           HD1      PHE  68   0.085  -0.736   3.830
  501    HD2  PHE  68           HD2      PHE  68   3.189   1.059   6.123
  502    HE1  PHE  68           HE1      PHE  68  -1.355  -0.789   5.818
  503    HE2  PHE  68           HE2      PHE  68   1.758   0.994   8.120
  504    HZ   PHE  68           HZ       PHE  68  -0.519   0.070   7.970
  505    H    VAL  69           HN       VAL  69   1.937  -1.446   0.370
  506    HA   VAL  69           HA       VAL  69   4.467  -0.429  -0.750
  507    HB   VAL  69           HB       VAL  69   4.356  -2.907  -0.830
  508   1HG1  VAL  69          HG11      VAL  69   2.795  -3.983  -2.398
  509   2HG1  VAL  69          HG12      VAL  69   1.969  -2.439  -2.605
  510   3HG1  VAL  69          HG13      VAL  69   1.977  -3.229  -1.028
  511   1HG2  VAL  69          HG21      VAL  69   5.668  -1.714  -2.490
  512   2HG2  VAL  69          HG22      VAL  69   4.246  -1.555  -3.523
  513   3HG2  VAL  69          HG23      VAL  69   4.929  -3.150  -3.201
  514    H    ILE  70           HN       ILE  70   4.354   0.621  -2.750
  515    HA   ILE  70           HA       ILE  70   1.868   1.898  -3.397
  516    HB   ILE  70           HB       ILE  70   4.438   1.887  -4.993
  517   1HG1  ILE  70          HG12      ILE  70   3.518   3.901  -2.928
  518   2HG1  ILE  70          HG11      ILE  70   4.753   2.679  -2.648
  519   1HG2  ILE  70          HG21      ILE  70   3.580   3.982  -5.932
  520   2HG2  ILE  70          HG22      ILE  70   2.102   3.796  -4.990
  521   3HG2  ILE  70          HG23      ILE  70   2.493   2.632  -6.256
  522   1HD1  ILE  70          HD11      ILE  70   5.744   4.842  -3.119
  523   2HD1  ILE  70          HD12      ILE  70   4.900   4.904  -4.666
  524   3HD1  ILE  70          HD13      ILE  70   6.139   3.681  -4.387
  525    H    SER  71           HN       SER  71   0.314   0.741  -4.385
  526    HA   SER  71           HA       SER  71   1.062  -0.861  -6.719
  527   1HB   SER  71          HB2       SER  71   0.955  -2.349  -4.704
  528   2HB   SER  71          HB1       SER  71  -0.734  -1.889  -4.505
  529    HG   SER  71           HG       SER  71  -1.241  -3.289  -5.974
  530    H    ASP  72           HN       ASP  72  -1.130  -1.774  -7.658
  531    HA   ASP  72           HA       ASP  72  -3.047   0.451  -7.794
  532   1HB   ASP  72          HB2       ASP  72  -1.847  -0.508  -9.897
  533   2HB   ASP  72          HB1       ASP  72  -2.928  -1.882  -9.707
  534    H    GLN  73           HN       GLN  73  -5.316  -0.778  -8.564
  535    HA   GLN  73           HA       GLN  73  -6.009  -2.324  -6.196
  536   1HB   GLN  73          HB2       GLN  73  -7.760  -1.303  -8.443
  537   2HB   GLN  73          HB1       GLN  73  -8.327  -2.023  -6.943
  538   1HG   GLN  73          HG2       GLN  73  -6.765   0.539  -7.169
  539   2HG   GLN  73          HG1       GLN  73  -8.508   0.416  -6.937
  540   1HE2  GLN  73          HE21      GLN  73  -6.419   1.647  -5.275
  541   2HE2  GLN  73          HE22      GLN  73  -6.571   0.903  -3.716
  542    H    LEU  74           HN       LEU  74  -6.337  -2.613  -9.728
  543    HA   LEU  74           HA       LEU  74  -5.962  -5.496  -9.519
  544   1HB   LEU  74          HB2       LEU  74  -8.374  -4.208 -10.793
  545   2HB   LEU  74          HB1       LEU  74  -7.879  -5.855 -11.119
  546    HG   LEU  74           HG       LEU  74  -8.661  -4.823  -8.392
  547   1HD1  LEU  74          HD11      LEU  74 -10.556  -4.795  -9.918
  548   2HD1  LEU  74          HD12      LEU  74 -10.728  -6.085  -8.728
  549   3HD1  LEU  74          HD13      LEU  74 -10.226  -6.466 -10.374
  550   1HD2  LEU  74          HD21      LEU  74  -8.728  -7.196  -7.795
  551   2HD2  LEU  74          HD22      LEU  74  -7.116  -6.716  -8.324
  552   3HD2  LEU  74          HD23      LEU  74  -8.168  -7.622  -9.411
  553    H    GLU  75           HN       GLU  75  -5.148  -6.434 -11.399
  554    HA   GLU  75           HA       GLU  75  -3.806  -4.572 -13.146
  555   1HB   GLU  75          HB2       GLU  75  -2.600  -6.528 -12.296
  556   2HB   GLU  75          HB1       GLU  75  -3.760  -7.598 -13.069
  557   1HG   GLU  75          HG2       GLU  75  -1.641  -7.409 -14.305
  558   2HG   GLU  75          HG1       GLU  75  -3.040  -6.896 -15.251
  559    H    HIS  76           HN       HIS  76  -4.792  -3.754 -14.840
  560    HA   HIS  76           HA       HIS  76  -6.406  -5.534 -16.537
  561   1HB   HIS  76          HB2       HIS  76  -7.096  -2.653 -15.906
  562   2HB   HIS  76          HB1       HIS  76  -7.950  -3.687 -17.041
  563    HD1  HIS  76           HD1      HIS  76  -9.362  -5.670 -15.981
  564    HD2  HIS  76           HD2      HIS  76  -7.861  -2.871 -13.296
  565    HE1  HIS  76           HE1      HIS  76 -10.685  -5.982 -13.863
  566    HE2  HIS  76           HE2      HIS  76  -9.875  -4.157 -12.319
  567    H    HIS  77           HN       HIS  77  -5.011  -2.270 -16.382
  568    HA   HIS  77           HA       HIS  77  -4.098  -0.918 -17.951
  569   1HB   HIS  77          HB2       HIS  77  -2.761  -3.544 -18.392
  570   2HB   HIS  77          HB1       HIS  77  -2.483  -2.269 -19.572
  571    HD1  HIS  77           HD1      HIS  77  -1.729  -3.263 -16.050
  572    HD2  HIS  77           HD2      HIS  77  -0.976  -0.092 -18.645
  573    HE1  HIS  77           HE1      HIS  77   0.083  -1.902 -14.960
  574    HE2  HIS  77           HE2      HIS  77   0.663  -0.111 -16.641
  575    H    HIS  78           HN       HIS  78  -3.837  -3.392 -20.331
  576    HA   HIS  78           HA       HIS  78  -6.270  -3.296 -21.638
  577   1HB   HIS  78          HB2       HIS  78  -5.622  -0.823 -21.816
  578   2HB   HIS  78          HB1       HIS  78  -4.339  -1.342 -22.900
  579    HD1  HIS  78           HD1      HIS  78  -8.128  -1.583 -22.648
  580    HD2  HIS  78           HD2      HIS  78  -5.093  -1.444 -25.489
  581    HE1  HIS  78           HE1      HIS  78  -9.289  -1.431 -24.879
  582    HE2  HIS  78           HE2      HIS  78  -7.425  -1.149 -26.562
  583    H    HIS  79           HN       HIS  79  -6.204  -4.791 -23.266
  584    HA   HIS  79           HA       HIS  79  -4.111  -6.597 -23.274
  585   1HB   HIS  79          HB2       HIS  79  -6.525  -6.948 -24.016
  586   2HB   HIS  79          HB1       HIS  79  -6.032  -6.297 -25.575
  587    HD1  HIS  79           HD1      HIS  79  -3.332  -8.280 -24.184
  588    HD2  HIS  79           HD2      HIS  79  -6.813  -9.042 -26.332
  589    HE1  HIS  79           HE1      HIS  79  -3.058 -10.592 -25.121
  590    HE2  HIS  79           HE2      HIS  79  -5.261 -11.109 -26.224
  591    H    HIS  80           HN       HIS  80  -4.999  -4.596 -26.123
  592    HA   HIS  80           HA       HIS  80  -2.105  -4.334 -26.623
  593   1HB   HIS  80          HB2       HIS  80  -3.266  -5.893 -28.246
  594   2HB   HIS  80          HB1       HIS  80  -4.185  -4.502 -28.809
  595    HD1  HIS  80           HD1      HIS  80  -3.140  -3.171 -30.649
  596    HD2  HIS  80           HD2      HIS  80  -0.374  -5.542 -28.642
  597    HE1  HIS  80           HE1      HIS  80  -0.995  -2.949 -31.935
  598    HE2  HIS  80           HE2      HIS  80   0.581  -4.587 -30.847
  599    H    HIS  81           HN       HIS  81  -4.793  -2.923 -28.434
  600    HA   HIS  81           HA       HIS  81  -4.778  -0.452 -27.022
  601   1HB   HIS  81          HB2       HIS  81  -2.594  -0.414 -28.399
  602   2HB   HIS  81          HB1       HIS  81  -3.640  -0.240 -29.806
  603    HD1  HIS  81           HD1      HIS  81  -3.920   2.135 -30.472
  604    HD2  HIS  81           HD2      HIS  81  -3.375   1.711 -26.365
  605    HE1  HIS  81           HE1      HIS  81  -3.955   4.472 -29.530
  606    HE2  HIS  81           HE2      HIS  81  -3.645   4.192 -27.039
  Start of MODEL   13
    1   1H    MET   1          HT1       MET   1   9.350   0.033   5.291
    2   2H    MET   1          HT2       MET   1   9.830  -0.925   6.596
    3   3H    MET   1          HT3       MET   1  10.731   0.450   6.175
    4    HA   MET   1           HA       MET   1   7.942   0.445   7.178
    5   1HB   MET   1          HB2       MET   1  10.518   1.307   8.519
    6   2HB   MET   1          HB1       MET   1   8.907   1.568   9.173
    7   1HG   MET   1          HG2       MET   1   8.578  -0.891   9.193
    8   2HG   MET   1          HG1       MET   1  10.256  -1.078   8.689
    9   1HE   MET   1          HE1       MET   1  11.634   1.325  10.329
   10   2HE   MET   1          HE2       MET   1  12.339  -0.286  10.183
   11   3HE   MET   1          HE3       MET   1  12.166   0.459  11.772
   12    H    GLU   2           HN       GLU   2  10.774   2.341   6.210
   13    HA   GLU   2           HA       GLU   2   9.140   4.735   5.918
   14   1HB   GLU   2          HB2       GLU   2  11.401   4.969   6.834
   15   2HB   GLU   2          HB1       GLU   2  12.078   4.215   5.399
   16   1HG   GLU   2          HG2       GLU   2  11.238   6.106   4.052
   17   2HG   GLU   2          HG1       GLU   2  10.676   6.873   5.538
   18    H    ILE   3           HN       ILE   3   8.088   5.124   4.064
   19    HA   ILE   3           HA       ILE   3   8.641   3.546   1.719
   20    HB   ILE   3           HB       ILE   3   6.714   5.868   1.978
   21   1HG1  ILE   3          HG12      ILE   3   5.016   3.895   1.981
   22   2HG1  ILE   3          HG11      ILE   3   6.383   2.920   2.503
   23   1HG2  ILE   3          HG21      ILE   3   6.900   3.663  -0.071
   24   2HG2  ILE   3          HG22      ILE   3   7.339   5.353  -0.320
   25   3HG2  ILE   3          HG23      ILE   3   5.659   4.915  -0.009
   26   1HD1  ILE   3          HD11      ILE   3   5.280   5.325   3.938
   27   2HD1  ILE   3          HD12      ILE   3   6.646   4.342   4.467
   28   3HD1  ILE   3          HD13      ILE   3   5.031   3.637   4.385
   29    H    THR   4           HN       THR   4  10.278   4.026   0.455
   30    HA   THR   4           HA       THR   4  11.299   6.769   0.403
   31    HB   THR   4           HB       THR   4  12.715   4.319  -0.641
   32    HG1  THR   4           HG1      THR   4  13.028   5.343   1.994
   33   1HG2  THR   4          HG21      THR   4  14.723   5.619  -0.119
   34   2HG2  THR   4          HG22      THR   4  13.720   6.940   0.480
   35   3HG2  THR   4          HG23      THR   4  13.673   6.500  -1.228
   36    H    CYS   5           HN       CYS   5  11.372   7.954  -1.443
   37    HA   CYS   5           HA       CYS   5   9.961   7.201  -3.771
   38   1HB   CYS   5          HB2       CYS   5  10.298   9.549  -3.142
   39   2HB   CYS   5          HB1       CYS   5  12.034   9.378  -3.367
   40    HA   PRO   6           HA       PRO   6  13.129   4.693  -5.680
   41   1HB   PRO   6          HB2       PRO   6  11.946   4.477  -8.126
   42   2HB   PRO   6          HB1       PRO   6  11.445   3.529  -6.722
   43   1HG   PRO   6          HG2       PRO   6  10.231   6.013  -7.865
   44   2HG   PRO   6          HG1       PRO   6   9.430   4.558  -7.242
   45   1HD   PRO   6          HD2       PRO   6   9.640   6.837  -5.797
   46   2HD   PRO   6          HD1       PRO   6   9.644   5.229  -5.046
   47    H    VAL   7           HN       VAL   7  11.964   7.751  -6.844
   48    HA   VAL   7           HA       VAL   7  14.031   7.984  -8.875
   49    HB   VAL   7           HB       VAL   7  11.973  10.022  -8.004
   50   1HG1  VAL   7          HG11      VAL   7  12.455  11.106 -10.141
   51   2HG1  VAL   7          HG12      VAL   7  13.695   9.899 -10.478
   52   3HG1  VAL   7          HG13      VAL   7  13.896  11.017  -9.129
   53   1HG2  VAL   7          HG21      VAL   7  10.895   8.016  -8.861
   54   2HG2  VAL   7          HG22      VAL   7  11.906   8.071 -10.304
   55   3HG2  VAL   7          HG23      VAL   7  10.727   9.347 -10.005
   56    H    CYS   8           HN       CYS   8  12.991   9.947  -6.079
   57    HA   CYS   8           HA       CYS   8  15.482  11.402  -6.108
   58   1HB   CYS   8          HB2       CYS   8  13.199  11.522  -4.130
   59   2HB   CYS   8          HB1       CYS   8  14.507  12.690  -4.280
   60    H    HIS   9           HN       HIS   9  14.376   8.544  -4.647
   61    HA   HIS   9           HA       HIS   9  15.035   7.251  -2.904
   62   1HB   HIS   9          HB2       HIS   9  17.638   8.595  -3.619
   63   2HB   HIS   9          HB1       HIS   9  17.536   7.366  -2.359
   64    HD1  HIS   9           HD1      HIS   9  18.040   7.732  -5.919
   65    HD2  HIS   9           HD2      HIS   9  16.383   4.843  -3.423
   66    HE1  HIS   9           HE1      HIS   9  17.968   5.613  -7.278
   67    HE2  HIS   9           HE2      HIS   9  16.994   3.865  -5.737
   68    H    HIS  10           HN       HIS  10  13.635   9.333  -2.186
   69    HA   HIS  10           HA       HIS  10  14.782  10.206   0.367
   70   1HB   HIS  10          HB2       HIS  10  14.975  12.098  -1.121
   71   2HB   HIS  10          HB1       HIS  10  13.335  11.875  -1.705
   72    HD1  HIS  10           HD1      HIS  10  15.252  13.163   1.279
   73    HD2  HIS  10           HD2      HIS  10  11.370  13.101  -0.212
   74    HE1  HIS  10           HE1      HIS  10  13.951  14.774   2.698
   75    HE2  HIS  10           HE2      HIS  10  11.574  14.610   1.879
   76    H    ALA  11           HN       ALA  11  13.266  10.354   2.052
   77    HA   ALA  11           HA       ALA  11  11.171   8.518   2.028
   78   1HB   ALA  11          HB1       ALA  11  12.290   9.269   4.066
   79   2HB   ALA  11          HB2       ALA  11  10.540   9.446   4.192
   80   3HB   ALA  11          HB3       ALA  11  11.549  10.860   3.890
   81    H    LEU  12           HN       LEU  12   9.039   8.607   1.598
   82    HA   LEU  12           HA       LEU  12   8.024  10.957   0.256
   83   1HB   LEU  12          HB2       LEU  12   6.672   8.337   0.910
   84   2HB   LEU  12          HB1       LEU  12   5.995   9.599  -0.099
   85    HG   LEU  12           HG       LEU  12   8.408   7.894  -0.706
   86   1HD1  LEU  12          HD11      LEU  12   6.232   6.813  -1.035
   87   2HD1  LEU  12          HD12      LEU  12   7.066   7.094  -2.563
   88   3HD1  LEU  12          HD13      LEU  12   5.736   8.147  -2.078
   89   1HD2  LEU  12          HD21      LEU  12   8.817  10.149  -1.481
   90   2HD2  LEU  12          HD22      LEU  12   7.238  10.191  -2.262
   91   3HD2  LEU  12          HD23      LEU  12   8.481   9.085  -2.847
   92    H    GLU  13           HN       GLU  13   6.105  12.067   0.853
   93    HA   GLU  13           HA       GLU  13   5.705  12.264   3.727
   94   1HB   GLU  13          HB2       GLU  13   5.618  14.075   1.586
   95   2HB   GLU  13          HB1       GLU  13   3.944  13.892   2.086
   96   1HG   GLU  13          HG2       GLU  13   6.200  14.588   3.950
   97   2HG   GLU  13          HG1       GLU  13   5.150  15.772   3.171
   98    H    ARG  14           HN       ARG  14   4.337  10.854   4.611
   99    HA   ARG  14           HA       ARG  14   2.273   9.629   2.953
  100   1HB   ARG  14          HB2       ARG  14   3.234   8.983   5.747
  101   2HB   ARG  14          HB1       ARG  14   1.937   8.124   4.931
  102   1HG   ARG  14          HG2       ARG  14   3.730   6.748   4.537
  103   2HG   ARG  14          HG1       ARG  14   3.717   7.736   3.077
  104   1HD   ARG  14          HD2       ARG  14   5.964   7.665   3.739
  105   2HD   ARG  14          HD1       ARG  14   5.385   9.242   4.272
  106    HE   ARG  14           HE       ARG  14   5.150   7.246   6.314
  107   1HH1  ARG  14          HH11      ARG  14   7.358   9.527   4.811
  108   2HH1  ARG  14          HH12      ARG  14   8.428   9.566   6.176
  109   1HH2  ARG  14          HH21      ARG  14   6.566   7.296   8.087
  110   2HH2  ARG  14          HH22      ARG  14   7.999   8.283   8.032
  111    H    ASN  15           HN       ASN  15   0.405  10.629   2.815
  112    HA   ASN  15           HA       ASN  15  -0.556  12.252   5.053
  113   1HB   ASN  15          HB2       ASN  15  -0.553  13.198   2.746
  114   2HB   ASN  15          HB1       ASN  15  -1.678  11.940   2.252
  115   1HD2  ASN  15          HD21      ASN  15  -1.249  14.843   4.115
  116   2HD2  ASN  15          HD22      ASN  15  -2.935  15.192   4.325
  117    H    GLY  16           HN       GLY  16  -0.798   9.153   3.902
  118   1HA   GLY  16          HA2       GLY  16  -2.146   7.487   4.978
  119   2HA   GLY  16          HA1       GLY  16  -3.370   8.723   5.260
  120    H    ASP  17           HN       ASP  17  -2.651   6.093   3.438
  121    HA   ASP  17           HA       ASP  17  -3.565   5.122   1.602
  122   1HB   ASP  17          HB2       ASP  17  -5.734   5.975   2.192
  123   2HB   ASP  17          HB1       ASP  17  -5.334   7.575   1.578
  124    H    THR  18           HN       THR  18  -2.640   8.501   1.314
  125    HA   THR  18           HA       THR  18  -1.610   7.916  -1.384
  126    HB   THR  18           HB       THR  18  -2.198  10.683  -0.337
  127    HG1  THR  18           HG1      THR  18  -3.942   8.884  -1.720
  128   1HG2  THR  18          HG21      THR  18  -0.755  10.505  -2.312
  129   2HG2  THR  18          HG22      THR  18  -2.311  11.227  -2.725
  130   3HG2  THR  18          HG23      THR  18  -1.985   9.542  -3.128
  131    H    ALA  19           HN       ALA  19   0.521   8.117  -1.706
  132    HA   ALA  19           HA       ALA  19   2.140   9.376   0.413
  133   1HB   ALA  19          HB1       ALA  19   2.622   7.001   0.076
  134   2HB   ALA  19          HB2       ALA  19   3.999   8.003  -0.378
  135   3HB   ALA  19          HB3       ALA  19   2.964   7.307  -1.625
  136    H    HIS  20           HN       HIS  20   2.882  11.313  -0.093
  137    HA   HIS  20           HA       HIS  20   3.164  12.008  -2.943
  138   1HB   HIS  20          HB2       HIS  20   1.439  13.260  -1.622
  139   2HB   HIS  20          HB1       HIS  20   2.729  13.868  -0.592
  140    HD1  HIS  20           HD1      HIS  20   1.158  14.294  -3.935
  141    HD2  HIS  20           HD2      HIS  20   4.344  15.862  -1.765
  142    HE1  HIS  20           HE1      HIS  20   1.887  16.357  -5.184
  143    HE2  HIS  20           HE2      HIS  20   3.701  17.381  -3.756
  144    H    CYS  21           HN       CYS  21   5.190  12.393  -3.661
  145    HA   CYS  21           HA       CYS  21   7.365  12.433  -1.768
  146   1HB   CYS  21          HB2       CYS  21   7.637  11.291  -3.931
  147   2HB   CYS  21          HB1       CYS  21   7.418  12.823  -4.769
  148    H    GLU  22           HN       GLU  22   8.353  14.156  -0.948
  149    HA   GLU  22           HA       GLU  22   7.295  16.746  -1.224
  150   1HB   GLU  22          HB2       GLU  22  10.049  15.997  -0.223
  151   2HB   GLU  22          HB1       GLU  22   9.172  17.477   0.131
  152   1HG   GLU  22          HG2       GLU  22   7.471  16.153   1.323
  153   2HG   GLU  22          HG1       GLU  22   8.423  14.700   1.017
  154    H    THR  23           HN       THR  23   9.735  15.025  -2.961
  155    HA   THR  23           HA       THR  23  10.621  17.487  -4.285
  156    HB   THR  23           HB       THR  23  12.507  15.857  -5.075
  157    HG1  THR  23           HG1      THR  23  11.355  14.006  -4.093
  158   1HG2  THR  23          HG21      THR  23  12.317  16.806  -2.213
  159   2HG2  THR  23          HG22      THR  23  12.848  17.774  -3.588
  160   3HG2  THR  23          HG23      THR  23  13.805  16.387  -3.063
  161    H    CYS  24           HN       CYS  24   8.248  15.558  -4.843
  162    HA   CYS  24           HA       CYS  24   8.661  15.592  -7.745
  163   1HB   CYS  24          HB2       CYS  24   7.584  13.257  -6.152
  164   2HB   CYS  24          HB1       CYS  24   7.340  13.432  -7.885
  165    H    ALA  25           HN       ALA  25   6.490  15.243  -8.880
  166    HA   ALA  25           HA       ALA  25   4.331  16.533  -7.336
  167   1HB   ALA  25          HB1       ALA  25   4.761  16.461 -10.328
  168   2HB   ALA  25          HB2       ALA  25   5.073  17.838  -9.271
  169   3HB   ALA  25          HB3       ALA  25   3.423  17.258  -9.496
  170    H    LYS  26           HN       LYS  26   5.153  13.702  -7.444
  171    HA   LYS  26           HA       LYS  26   2.895  12.448  -8.820
  172   1HB   LYS  26          HB2       LYS  26   5.460  11.323  -7.699
  173   2HB   LYS  26          HB1       LYS  26   4.150  10.315  -8.295
  174   1HG   LYS  26          HG2       LYS  26   4.390  11.303 -10.513
  175   2HG   LYS  26          HG1       LYS  26   5.694  12.333  -9.912
  176   1HD   LYS  26          HD2       LYS  26   7.086  10.446  -9.475
  177   2HD   LYS  26          HD1       LYS  26   5.761   9.323  -9.779
  178   1HE   LYS  26          HE2       LYS  26   7.051  11.136 -11.816
  179   2HE   LYS  26          HE1       LYS  26   7.328   9.402 -11.656
  180   1HZ   LYS  26          HZ1       LYS  26   4.880  10.799 -12.549
  181   2HZ   LYS  26          HZ2       LYS  26   4.821   9.203 -11.990
  182   3HZ   LYS  26          HZ3       LYS  26   5.758   9.589 -13.348
  183    H    ASP  27           HN       ASP  27   1.379  11.275  -7.770
  184    HA   ASP  27           HA       ASP  27   1.615  11.033  -4.843
  185   1HB   ASP  27          HB2       ASP  27  -0.849  11.419  -6.558
  186   2HB   ASP  27          HB1       ASP  27  -0.924  10.895  -4.880
  187    H    PHE  28           HN       PHE  28   1.817   9.017  -4.153
  188    HA   PHE  28           HA       PHE  28   1.192   6.850  -6.034
  189   1HB   PHE  28          HB2       PHE  28   3.006   6.837  -3.612
  190   2HB   PHE  28          HB1       PHE  28   2.772   5.497  -4.730
  191    HD1  PHE  28           HD1      PHE  28   3.433   5.850  -7.163
  192    HD2  PHE  28           HD2      PHE  28   4.631   8.453  -4.016
  193    HE1  PHE  28           HE1      PHE  28   5.271   6.694  -8.565
  194    HE2  PHE  28           HE2      PHE  28   6.470   9.303  -5.413
  195    HZ   PHE  28           HZ       PHE  28   6.791   8.422  -7.691
  196    H    SER  29           HN       SER  29  -0.281   5.338  -5.558
  197    HA   SER  29           HA       SER  29  -1.906   5.652  -3.202
  198   1HB   SER  29          HB2       SER  29  -2.033   3.537  -5.364
  199   2HB   SER  29          HB1       SER  29  -3.290   3.904  -4.183
  200    HG   SER  29           HG       SER  29  -2.773   6.185  -5.330
  201    H    LEU  30           HN       LEU  30  -1.524   4.678  -1.317
  202    HA   LEU  30           HA       LEU  30   0.285   2.371  -1.282
  203   1HB   LEU  30          HB2       LEU  30  -0.614   4.214   0.932
  204   2HB   LEU  30          HB1       LEU  30   0.401   2.805   1.177
  205    HG   LEU  30           HG       LEU  30   1.114   5.259  -0.432
  206   1HD1  LEU  30          HD11      LEU  30   1.184   5.644   1.959
  207   2HD1  LEU  30          HD12      LEU  30   2.821   5.568   1.305
  208   3HD1  LEU  30          HD13      LEU  30   2.158   4.192   2.187
  209   1HD2  LEU  30          HD21      LEU  30   3.321   4.225  -0.670
  210   2HD2  LEU  30          HD22      LEU  30   2.065   3.254  -1.441
  211   3HD2  LEU  30          HD23      LEU  30   2.722   2.766   0.122
  212    H    GLN  31           HN       GLN  31  -0.657   0.476  -1.320
  213    HA   GLN  31           HA       GLN  31  -3.211   0.130   0.102
  214   1HB   GLN  31          HB2       GLN  31  -3.349  -0.278  -2.325
  215   2HB   GLN  31          HB1       GLN  31  -2.073  -1.481  -2.195
  216   1HG   GLN  31          HG2       GLN  31  -3.479  -2.906  -0.868
  217   2HG   GLN  31          HG1       GLN  31  -4.739  -1.675  -0.810
  218   1HE2  GLN  31          HE21      GLN  31  -5.988  -1.287  -2.637
  219   2HE2  GLN  31          HE22      GLN  31  -6.054  -2.400  -3.960
  220    H    ALA  32           HN       ALA  32  -3.397  -1.490   1.584
  221    HA   ALA  32           HA       ALA  32  -0.874  -2.538   2.583
  222   1HB   ALA  32          HB1       ALA  32  -3.636  -2.416   3.778
  223   2HB   ALA  32          HB2       ALA  32  -2.235  -1.443   4.212
  224   3HB   ALA  32          HB3       ALA  32  -2.257  -3.170   4.573
  225    H    LEU  33           HN       LEU  33  -0.241  -4.434   1.775
  226    HA   LEU  33           HA       LEU  33  -2.265  -6.562   1.513
  227   1HB   LEU  33          HB2       LEU  33   0.458  -6.343   0.220
  228   2HB   LEU  33          HB1       LEU  33  -0.566  -7.760   0.125
  229    HG   LEU  33           HG       LEU  33  -0.934  -6.711  -1.906
  230   1HD1  LEU  33          HD11      LEU  33  -3.195  -5.779  -1.846
  231   2HD1  LEU  33          HD12      LEU  33  -3.083  -5.638  -0.091
  232   3HD1  LEU  33          HD13      LEU  33  -3.050  -7.229  -0.853
  233   1HD2  LEU  33          HD21      LEU  33  -1.274  -4.311  -2.193
  234   2HD2  LEU  33          HD22      LEU  33   0.284  -4.674  -1.450
  235   3HD2  LEU  33          HD23      LEU  33  -1.046  -4.078  -0.459
  236    H    CYS  34           HN       CYS  34  -1.382  -8.808   2.088
  237    HA   CYS  34           HA       CYS  34   0.313  -8.476   4.484
  238   1HB   CYS  34          HB2       CYS  34  -1.109 -10.169   5.618
  239   2HB   CYS  34          HB1       CYS  34  -1.982  -8.692   5.221
  240    HA   PRO  35           HA       PRO  35   2.998 -11.732   3.272
  241   1HB   PRO  35          HB2       PRO  35   2.687 -13.421   5.512
  242   2HB   PRO  35          HB1       PRO  35   3.907 -12.163   5.297
  243   1HG   PRO  35          HG2       PRO  35   1.324 -12.068   6.770
  244   2HG   PRO  35          HG1       PRO  35   2.854 -11.244   7.122
  245   1HD   PRO  35          HD2       PRO  35   0.771  -9.920   6.088
  246   2HD   PRO  35          HD1       PRO  35   2.435  -9.551   5.583
  247    H    ASP  36           HN       ASP  36   2.979 -13.723   2.318
  248    HA   ASP  36           HA       ASP  36   2.115 -15.440   1.140
  249   1HB   ASP  36          HB2       ASP  36   0.473 -15.657   3.643
  250   2HB   ASP  36          HB1       ASP  36   0.184 -16.733   2.279
  251    H    CYS  37           HN       CYS  37  -1.014 -14.576   2.556
  252    HA   CYS  37           HA       CYS  37  -2.060 -14.474  -0.129
  253   1HB   CYS  37          HB2       CYS  37  -4.239 -14.526   0.824
  254   2HB   CYS  37          HB1       CYS  37  -3.251 -15.646   1.748
  255    H    ARG  38           HN       ARG  38  -0.866 -12.659  -0.780
  256    HA   ARG  38           HA       ARG  38  -1.392 -10.024   0.293
  257   1HB   ARG  38          HB2       ARG  38  -0.053 -10.807  -2.306
  258   2HB   ARG  38          HB1       ARG  38   0.018  -9.232  -1.526
  259   1HG   ARG  38          HG2       ARG  38   1.147 -10.327   0.408
  260   2HG   ARG  38          HG1       ARG  38   1.211 -11.810  -0.545
  261   1HD   ARG  38          HD2       ARG  38   2.494 -10.622  -2.273
  262   2HD   ARG  38          HD1       ARG  38   2.458  -9.164  -1.280
  263    HE   ARG  38           HE       ARG  38   3.985 -11.604  -0.755
  264   1HH1  ARG  38          HH11      ARG  38   3.082  -8.370   0.220
  265   2HH1  ARG  38          HH12      ARG  38   4.387  -8.204   1.354
  266   1HH2  ARG  38          HH21      ARG  38   5.712 -11.395   0.707
  267   2HH2  ARG  38          HH22      ARG  38   5.914  -9.912   1.598
  268    H    GLN  39           HN       GLN  39  -3.289 -12.011  -1.287
  269    HA   GLN  39           HA       GLN  39  -4.621  -9.867  -2.796
  270   1HB   GLN  39          HB2       GLN  39  -5.133 -12.826  -3.158
  271   2HB   GLN  39          HB1       GLN  39  -5.728 -11.513  -4.158
  272   1HG   GLN  39          HG2       GLN  39  -3.423 -11.057  -4.885
  273   2HG   GLN  39          HG1       GLN  39  -2.872 -12.432  -3.924
  274   1HE2  GLN  39          HE21      GLN  39  -4.523 -11.407  -6.782
  275   2HE2  GLN  39          HE22      GLN  39  -4.645 -12.966  -7.525
  276    HA   PRO  40           HA       PRO  40  -7.976 -11.992   0.046
  277   1HB   PRO  40          HB2       PRO  40  -6.209 -13.701   1.715
  278   2HB   PRO  40          HB1       PRO  40  -7.844 -14.012   1.118
  279   1HG   PRO  40          HG2       PRO  40  -5.764 -15.244   0.026
  280   2HG   PRO  40          HG1       PRO  40  -7.094 -14.647  -0.988
  281   1HD   PRO  40          HD2       PRO  40  -4.390 -13.441  -0.506
  282   2HD   PRO  40          HD1       PRO  40  -5.298 -13.595  -2.025
  283    H    LEU  41           HN       LEU  41  -7.987  -9.978   0.789
  284    HA   LEU  41           HA       LEU  41  -7.279  -9.771   3.594
  285   1HB   LEU  41          HB2       LEU  41  -6.475  -7.753   1.510
  286   2HB   LEU  41          HB1       LEU  41  -6.873  -7.227   3.133
  287    HG   LEU  41           HG       LEU  41  -5.065  -9.161   3.687
  288   1HD1  LEU  41          HD11      LEU  41  -4.624  -9.583   1.319
  289   2HD1  LEU  41          HD12      LEU  41  -3.201  -8.983   2.177
  290   3HD1  LEU  41          HD13      LEU  41  -4.120  -7.902   1.122
  291   1HD2  LEU  41          HD21      LEU  41  -5.070  -6.893   4.574
  292   2HD2  LEU  41          HD22      LEU  41  -4.457  -6.282   3.036
  293   3HD2  LEU  41          HD23      LEU  41  -3.459  -7.355   4.020
  294    H    GLN  42           HN       GLN  42  -8.793  -8.386   4.705
  295    HA   GLN  42           HA       GLN  42 -11.280  -8.079   3.221
  296   1HB   GLN  42          HB2       GLN  42 -10.709  -7.679   6.165
  297   2HB   GLN  42          HB1       GLN  42 -12.299  -7.634   5.413
  298   1HG   GLN  42          HG2       GLN  42 -12.090  -9.968   4.782
  299   2HG   GLN  42          HG1       GLN  42 -10.469 -10.023   5.468
  300   1HE2  GLN  42          HE21      GLN  42 -13.148  -8.307   6.927
  301   2HE2  GLN  42          HE22      GLN  42 -13.306  -9.343   8.298
  302    H    VAL  43           HN       VAL  43 -11.596  -6.249   2.173
  303    HA   VAL  43           HA       VAL  43 -10.105  -3.874   2.815
  304    HB   VAL  43           HB       VAL  43 -12.373  -4.104   0.834
  305   1HG1  VAL  43          HG11      VAL  43 -10.020  -2.220   1.002
  306   2HG1  VAL  43          HG12      VAL  43 -11.700  -1.825   1.374
  307   3HG1  VAL  43          HG13      VAL  43 -11.235  -2.238  -0.277
  308   1HG2  VAL  43          HG21      VAL  43  -9.439  -4.657   0.391
  309   2HG2  VAL  43          HG22      VAL  43 -10.666  -4.559  -0.873
  310   3HG2  VAL  43          HG23      VAL  43 -10.745  -5.839   0.336
  311    H    LEU  44           HN       LEU  44 -10.767  -3.298   4.846
  312    HA   LEU  44           HA       LEU  44 -13.585  -2.941   5.430
  313   1HB   LEU  44          HB2       LEU  44 -11.199  -2.328   7.176
  314   2HB   LEU  44          HB1       LEU  44 -12.861  -2.554   7.691
  315    HG   LEU  44           HG       LEU  44 -11.219  -4.747   6.427
  316   1HD1  LEU  44          HD11      LEU  44 -11.693  -4.241   9.360
  317   2HD1  LEU  44          HD12      LEU  44 -10.161  -4.021   8.515
  318   3HD1  LEU  44          HD13      LEU  44 -10.865  -5.631   8.658
  319   1HD2  LEU  44          HD21      LEU  44 -13.784  -4.784   8.012
  320   2HD2  LEU  44          HD22      LEU  44 -12.925  -6.201   7.407
  321   3HD2  LEU  44          HD23      LEU  44 -13.627  -5.047   6.274
  322    H    LYS  45           HN       LYS  45 -14.187  -1.228   4.129
  323    HA   LYS  45           HA       LYS  45 -12.760   1.300   4.355
  324   1HB   LYS  45          HB2       LYS  45 -15.170   0.494   2.717
  325   2HB   LYS  45          HB1       LYS  45 -14.449   2.095   2.690
  326   1HG   LYS  45          HG2       LYS  45 -12.405   1.213   1.769
  327   2HG   LYS  45          HG1       LYS  45 -13.014  -0.439   1.918
  328   1HD   LYS  45          HD2       LYS  45 -14.795   0.055   0.336
  329   2HD   LYS  45          HD1       LYS  45 -14.253   1.729   0.221
  330   1HE   LYS  45          HE2       LYS  45 -12.543  -0.640  -0.514
  331   2HE   LYS  45          HE1       LYS  45 -13.548   0.233  -1.669
  332   1HZ   LYS  45          HZ1       LYS  45 -11.398   1.130  -1.842
  333   2HZ   LYS  45          HZ2       LYS  45 -11.206   1.253  -0.165
  334   3HZ   LYS  45          HZ3       LYS  45 -12.289   2.278  -0.969
  335    H    ALA  46           HN       ALA  46 -13.165   2.052   6.408
  336    HA   ALA  46           HA       ALA  46 -15.992   2.605   7.033
  337   1HB   ALA  46          HB1       ALA  46 -14.896   1.169   8.688
  338   2HB   ALA  46          HB2       ALA  46 -15.336   2.730   9.381
  339   3HB   ALA  46          HB3       ALA  46 -13.661   2.403   8.940
  340    H    CYS  47           HN       CYS  47 -16.417   4.672   8.103
  341    HA   CYS  47           HA       CYS  47 -15.189   6.813   6.720
  342   1HB   CYS  47          HB2       CYS  47 -16.586   8.220   8.333
  343   2HB   CYS  47          HB1       CYS  47 -17.457   7.113   7.278
  344    HG   CYS  47           HG       CYS  47 -17.015   6.960  10.641
  345    H    GLY  48           HN       GLY  48 -13.187   7.445   7.100
  346   1HA   GLY  48          HA2       GLY  48 -11.682   8.730   8.405
  347   2HA   GLY  48          HA1       GLY  48 -12.463   8.128   9.859
  348    H    ALA  49           HN       ALA  49 -12.278   5.384   8.360
  349    HA   ALA  49           HA       ALA  49  -9.448   4.843   8.780
  350   1HB   ALA  49          HB1       ALA  49  -9.857   3.056  10.381
  351   2HB   ALA  49          HB2       ALA  49 -11.584   3.419  10.366
  352   3HB   ALA  49          HB3       ALA  49 -10.439   4.599  11.005
  353    H    VAL  50           HN       VAL  50  -9.176   4.154   6.714
  354    HA   VAL  50           HA       VAL  50 -10.798   1.884   5.799
  355    HB   VAL  50           HB       VAL  50  -8.811   3.546   4.232
  356   1HG1  VAL  50          HG11      VAL  50  -9.028   1.290   3.359
  357   2HG1  VAL  50          HG12      VAL  50  -9.786   2.447   2.267
  358   3HG1  VAL  50          HG13      VAL  50 -10.783   1.451   3.327
  359   1HG2  VAL  50          HG21      VAL  50 -11.827   3.622   4.211
  360   2HG2  VAL  50          HG22      VAL  50 -10.764   4.535   3.141
  361   3HG2  VAL  50          HG23      VAL  50 -10.764   4.862   4.873
  362    H    ASP  51           HN       ASP  51  -9.978  -0.075   6.159
  363    HA   ASP  51           HA       ASP  51  -7.049  -0.357   6.315
  364   1HB   ASP  51          HB2       ASP  51  -9.132  -1.319   8.260
  365   2HB   ASP  51          HB1       ASP  51  -7.579  -2.134   8.123
  366    H    TYR  52           HN       TYR  52  -6.323  -1.827   4.917
  367    HA   TYR  52           HA       TYR  52  -7.989  -4.074   4.116
  368   1HB   TYR  52          HB2       TYR  52  -5.077  -3.492   3.520
  369   2HB   TYR  52          HB1       TYR  52  -6.009  -4.807   2.829
  370    HD1  TYR  52           HD2      TYR  52  -5.786  -1.097   2.975
  371    HD2  TYR  52           HD1      TYR  52  -7.238  -4.499   0.871
  372    HE1  TYR  52           HE2      TYR  52  -6.421   0.349   1.090
  373    HE2  TYR  52           HE1      TYR  52  -7.871  -3.065  -1.020
  374    HH   TYR  52           HH       TYR  52  -8.303  -0.850  -1.597
  375    H    PHE  53           HN       PHE  53  -8.282  -5.524   5.733
  376    HA   PHE  53           HA       PHE  53  -5.959  -6.381   7.290
  377   1HB   PHE  53          HB2       PHE  53  -7.047  -4.297   8.283
  378   2HB   PHE  53          HB1       PHE  53  -8.439  -5.311   8.636
  379    HD1  PHE  53           HD2      PHE  53  -4.842  -4.834   9.326
  380    HD2  PHE  53           HD1      PHE  53  -8.484  -6.673  10.545
  381    HE1  PHE  53           HE2      PHE  53  -3.805  -5.461  11.465
  382    HE2  PHE  53           HE1      PHE  53  -7.452  -7.298  12.690
  383    HZ   PHE  53           HZ       PHE  53  -5.110  -6.691  13.149
  384    H    CYS  54           HN       CYS  54  -6.043  -8.521   7.368
  385    HA   CYS  54           HA       CYS  54  -8.440  -9.971   6.764
  386   1HB   CYS  54          HB2       CYS  54  -5.658 -10.875   7.546
  387   2HB   CYS  54          HB1       CYS  54  -6.964 -11.982   7.149
  388    H    GLN  55           HN       GLN  55  -9.850 -10.809   8.167
  389    HA   GLN  55           HA       GLN  55  -9.046 -11.026  10.995
  390   1HB   GLN  55          HB2       GLN  55 -11.804 -10.478   9.872
  391   2HB   GLN  55          HB1       GLN  55 -11.412 -10.655  11.578
  392   1HG   GLN  55          HG2       GLN  55 -10.036  -8.673  11.502
  393   2HG   GLN  55          HG1       GLN  55 -10.312  -8.518   9.769
  394   1HE2  GLN  55          HE21      GLN  55 -10.885  -6.679  11.955
  395   2HE2  GLN  55          HE22      GLN  55 -12.571  -6.323  11.851
  396    H    ASN  56           HN       ASN  56 -10.916 -12.366   8.349
  397    HA   ASN  56           HA       ASN  56 -10.988 -14.971   9.718
  398   1HB   ASN  56          HB2       ASN  56 -13.190 -14.082   9.044
  399   2HB   ASN  56          HB1       ASN  56 -12.632 -13.952   7.380
  400   1HD2  ASN  56          HD21      ASN  56 -14.186 -15.319   6.580
  401   2HD2  ASN  56          HD22      ASN  56 -14.179 -17.023   6.872
  402    H    GLY  57           HN       GLY  57 -10.324 -16.829   8.556
  403   1HA   GLY  57          HA2       GLY  57  -9.334 -18.019   6.818
  404   2HA   GLY  57          HA1       GLY  57  -9.184 -16.524   5.909
  405    H    HIS  58           HN       HIS  58  -7.484 -15.040   6.535
  406    HA   HIS  58           HA       HIS  58  -5.045 -16.504   7.010
  407   1HB   HIS  58          HB2       HIS  58  -5.198 -14.725   5.286
  408   2HB   HIS  58          HB1       HIS  58  -5.456 -13.539   6.558
  409    HD2  HIS  58           HD2      HIS  58  -2.631 -16.166   7.108
  410    HE1  HIS  58           HE1      HIS  58  -0.821 -12.466   6.104
  411    HE2  HIS  58           HE2      HIS  58  -0.422 -14.886   6.679
  412    H    GLY  59           HN       GLY  59  -6.176 -13.421   8.416
  413   1HA   GLY  59          HA2       GLY  59  -6.565 -13.674  10.946
  414   2HA   GLY  59          HA1       GLY  59  -4.896 -14.237  10.935
  415    H    LEU  60           HN       LEU  60  -5.473 -12.092  12.479
  416    HA   LEU  60           HA       LEU  60  -5.231  -9.647  11.012
  417   1HB   LEU  60          HB2       LEU  60  -5.053  -8.567  13.209
  418   2HB   LEU  60          HB1       LEU  60  -6.439  -9.626  13.087
  419    HG   LEU  60           HG       LEU  60  -4.840 -11.346  14.285
  420   1HD1  LEU  60          HD11      LEU  60  -2.848  -9.937  14.238
  421   2HD1  LEU  60          HD12      LEU  60  -3.362 -10.248  15.897
  422   3HD1  LEU  60          HD13      LEU  60  -3.699  -8.688  15.147
  423   1HD2  LEU  60          HD21      LEU  60  -6.175  -9.036  15.689
  424   2HD2  LEU  60          HD22      LEU  60  -5.735 -10.576  16.428
  425   3HD2  LEU  60          HD23      LEU  60  -6.958 -10.524  15.158
  426    H    ILE  61           HN       ILE  61  -3.505  -8.481  10.536
  427    HA   ILE  61           HA       ILE  61  -0.874  -9.546  11.313
  428    HB   ILE  61           HB       ILE  61  -1.518  -7.762   8.952
  429   1HG1  ILE  61          HG12      ILE  61  -2.564  -9.967   8.656
  430   2HG1  ILE  61          HG11      ILE  61  -1.224  -9.746   7.535
  431   1HG2  ILE  61          HG21      ILE  61   0.978  -9.294   9.672
  432   2HG2  ILE  61          HG22      ILE  61   0.765  -7.545   9.741
  433   3HG2  ILE  61          HG23      ILE  61   0.732  -8.375   8.186
  434   1HD1  ILE  61          HD11      ILE  61  -1.144 -11.332  10.094
  435   2HD1  ILE  61          HD12      ILE  61   0.200 -11.111   8.972
  436   3HD1  ILE  61          HD13      ILE  61  -1.243 -11.990   8.460
  437    H    SER  62           HN       SER  62   0.300  -8.302  12.660
  438    HA   SER  62           HA       SER  62  -0.502  -5.861  13.702
  439   1HB   SER  62          HB2       SER  62   2.362  -6.797  13.395
  440   2HB   SER  62          HB1       SER  62   1.733  -5.686  14.612
  441    HG   SER  62           HG       SER  62   0.999  -7.321  15.747
  442    H    LYS  63           HN       LYS  63  -0.293  -3.762  13.050
  443    HA   LYS  63           HA       LYS  63  -0.144  -3.321  10.289
  444   1HB   LYS  63          HB2       LYS  63  -1.508  -1.956  11.783
  445   2HB   LYS  63          HB1       LYS  63  -0.059  -1.311  12.541
  446   1HG   LYS  63          HG2       LYS  63   0.466   0.008  10.727
  447   2HG   LYS  63          HG1       LYS  63  -0.455  -0.990   9.602
  448   1HD   LYS  63          HD2       LYS  63  -1.695   0.712  11.762
  449   2HD   LYS  63          HD1       LYS  63  -1.488   1.231  10.088
  450   1HE   LYS  63          HE2       LYS  63  -2.827  -0.741   9.375
  451   2HE   LYS  63          HE1       LYS  63  -3.125  -1.102  11.074
  452   1HZ   LYS  63          HZ1       LYS  63  -3.904   1.419   9.703
  453   2HZ   LYS  63          HZ2       LYS  63  -4.250   1.005  11.311
  454   3HZ   LYS  63          HZ3       LYS  63  -4.955   0.127  10.037
  455    H    LYS  64           HN       LYS  64   2.332  -3.207  12.712
  456    HA   LYS  64           HA       LYS  64   4.208  -1.641  11.237
  457   1HB   LYS  64          HB2       LYS  64   4.201  -2.203  13.750
  458   2HB   LYS  64          HB1       LYS  64   4.922  -3.735  13.282
  459   1HG   LYS  64          HG2       LYS  64   6.777  -2.481  12.213
  460   2HG   LYS  64          HG1       LYS  64   6.073  -0.989  12.842
  461   1HD   LYS  64          HD2       LYS  64   6.218  -2.020  15.134
  462   2HD   LYS  64          HD1       LYS  64   7.163  -3.318  14.407
  463   1HE   LYS  64          HE2       LYS  64   7.869  -0.386  14.459
  464   2HE   LYS  64          HE1       LYS  64   8.629  -1.665  15.402
  465   1HZ   LYS  64          HZ1       LYS  64  10.076  -1.366  13.651
  466   2HZ   LYS  64          HZ2       LYS  64   8.846  -1.118  12.516
  467   3HZ   LYS  64          HZ3       LYS  64   9.146  -2.679  13.108
  468    H    ARG  65           HN       ARG  65   2.989  -4.747  10.778
  469    HA   ARG  65           HA       ARG  65   5.311  -5.493   9.123
  470   1HB   ARG  65          HB2       ARG  65   3.414  -7.244  10.677
  471   2HB   ARG  65          HB1       ARG  65   4.489  -7.868   9.434
  472   1HG   ARG  65          HG2       ARG  65   5.475  -6.330  11.820
  473   2HG   ARG  65          HG1       ARG  65   5.284  -8.083  11.814
  474   1HD   ARG  65          HD2       ARG  65   7.565  -7.594  11.313
  475   2HD   ARG  65          HD1       ARG  65   6.800  -8.172   9.838
  476    HE   ARG  65           HE       ARG  65   6.738  -5.330   9.972
  477   1HH1  ARG  65          HH11      ARG  65   8.816  -8.063   9.264
  478   2HH1  ARG  65          HH12      ARG  65   9.910  -7.141   8.274
  479   1HH2  ARG  65          HH21      ARG  65   8.164  -4.113   8.635
  480   2HH2  ARG  65          HH22      ARG  65   9.547  -4.903   7.926
  481    H    VAL  66           HN       VAL  66   2.259  -4.339   8.946
  482    HA   VAL  66           HA       VAL  66   1.313  -5.882   6.702
  483    HB   VAL  66           HB       VAL  66   0.378  -3.186   7.721
  484   1HG1  VAL  66          HG11      VAL  66  -0.924  -5.115   5.807
  485   2HG1  VAL  66          HG12      VAL  66  -0.226  -3.551   5.391
  486   3HG1  VAL  66          HG13      VAL  66  -1.650  -3.633   6.429
  487   1HG2  VAL  66          HG21      VAL  66   0.100  -4.955   9.382
  488   2HG2  VAL  66          HG22      VAL  66  -0.750  -5.942   8.192
  489   3HG2  VAL  66          HG23      VAL  66  -1.458  -4.425   8.747
  490    H    ASN  67           HN       ASN  67   1.687  -5.478   4.576
  491    HA   ASN  67           HA       ASN  67   3.801  -3.570   4.037
  492   1HB   ASN  67          HB2       ASN  67   2.544  -5.720   2.331
  493   2HB   ASN  67          HB1       ASN  67   3.763  -4.604   1.727
  494   1HD2  ASN  67          HD21      ASN  67   5.160  -4.559   4.317
  495   2HD2  ASN  67          HD22      ASN  67   6.003  -6.067   4.425
  496    H    PHE  68           HN       PHE  68   2.747  -1.597   4.190
  497    HA   PHE  68           HA       PHE  68   0.659  -0.928   2.320
  498   1HB   PHE  68          HB2       PHE  68   2.456   0.840   4.007
  499   2HB   PHE  68          HB1       PHE  68   1.098   1.416   3.049
  500    HD1  PHE  68           HD1      PHE  68   2.094  -0.453   6.039
  501    HD2  PHE  68           HD2      PHE  68  -1.163   1.093   3.780
  502    HE1  PHE  68           HE1      PHE  68   0.593  -0.828   7.952
  503    HE2  PHE  68           HE2      PHE  68  -2.669   0.719   5.688
  504    HZ   PHE  68           HZ       PHE  68  -1.792  -0.242   7.778
  505    H    VAL  69           HN       VAL  69   1.298  -1.231   0.243
  506    HA   VAL  69           HA       VAL  69   3.819   0.061  -0.572
  507    HB   VAL  69           HB       VAL  69   4.139  -1.730  -2.242
  508   1HG1  VAL  69          HG11      VAL  69   5.299  -1.854  -0.107
  509   2HG1  VAL  69          HG12      VAL  69   4.879  -3.467  -0.685
  510   3HG1  VAL  69          HG13      VAL  69   3.932  -2.716   0.600
  511   1HG2  VAL  69          HG21      VAL  69   2.858  -3.817  -2.049
  512   2HG2  VAL  69          HG22      VAL  69   1.831  -2.453  -2.494
  513   3HG2  VAL  69          HG23      VAL  69   1.823  -3.060  -0.839
  514    H    ILE  70           HN       ILE  70   3.923   0.453  -2.938
  515    HA   ILE  70           HA       ILE  70   1.546   1.802  -3.807
  516    HB   ILE  70           HB       ILE  70   4.119   1.352  -5.335
  517   1HG1  ILE  70          HG12      ILE  70   3.325   3.709  -3.609
  518   2HG1  ILE  70          HG11      ILE  70   4.442   2.446  -3.109
  519   1HG2  ILE  70          HG21      ILE  70   3.434   3.341  -6.591
  520   2HG2  ILE  70          HG22      ILE  70   1.938   3.414  -5.660
  521   3HG2  ILE  70          HG23      ILE  70   2.244   2.048  -6.733
  522   1HD1  ILE  70          HD11      ILE  70   5.969   3.078  -4.890
  523   2HD1  ILE  70          HD12      ILE  70   5.608   4.448  -3.838
  524   3HD1  ILE  70          HD13      ILE  70   4.842   4.326  -5.423
  525    H    SER  71           HN       SER  71  -0.078   0.568  -4.492
  526    HA   SER  71           HA       SER  71   0.364  -2.008  -5.698
  527   1HB   SER  71          HB2       SER  71  -2.217  -1.925  -5.778
  528   2HB   SER  71          HB1       SER  71  -1.440  -1.936  -4.194
  529    HG   SER  71           HG       SER  71  -2.530   0.288  -5.592
  530    H    ASP  72           HN       ASP  72   1.169   0.449  -7.185
  531    HA   ASP  72           HA       ASP  72  -0.526   0.093  -9.566
  532   1HB   ASP  72          HB2       ASP  72  -0.289   2.425  -8.317
  533   2HB   ASP  72          HB1       ASP  72   1.208   2.511  -9.240
  534    H    GLN  73           HN       GLN  73   1.160   1.319 -11.399
  535    HA   GLN  73           HA       GLN  73   2.850   0.888 -12.830
  536   1HB   GLN  73          HB2       GLN  73   4.279  -0.202 -10.400
  537   2HB   GLN  73          HB1       GLN  73   5.027   0.098 -11.962
  538   1HG   GLN  73          HG2       GLN  73   3.724   2.217 -10.268
  539   2HG   GLN  73          HG1       GLN  73   5.446   1.859 -10.263
  540   1HE2  GLN  73          HE21      GLN  73   3.439   1.840 -13.162
  541   2HE2  GLN  73          HE22      GLN  73   4.168   3.224 -13.890
  542    H    LEU  74           HN       LEU  74   4.647  -1.375 -12.912
  543    HA   LEU  74           HA       LEU  74   2.678  -3.508 -13.327
  544   1HB   LEU  74          HB2       LEU  74   4.626  -2.422 -15.338
  545   2HB   LEU  74          HB1       LEU  74   3.909  -4.013 -15.492
  546    HG   LEU  74           HG       LEU  74   2.392  -1.404 -15.431
  547   1HD1  LEU  74          HD11      LEU  74   1.928  -1.907 -17.781
  548   2HD1  LEU  74          HD12      LEU  74   2.983  -3.317 -17.681
  549   3HD1  LEU  74          HD13      LEU  74   3.654  -1.699 -17.485
  550   1HD2  LEU  74          HD21      LEU  74   1.435  -4.230 -15.873
  551   2HD2  LEU  74          HD22      LEU  74   0.453  -2.772 -16.016
  552   3HD2  LEU  74          HD23      LEU  74   1.115  -3.239 -14.449
  553    H    GLU  75           HN       GLU  75   3.257  -5.394 -12.635
  554    HA   GLU  75           HA       GLU  75   5.952  -6.101 -11.932
  555   1HB   GLU  75          HB2       GLU  75   4.511  -7.304 -10.622
  556   2HB   GLU  75          HB1       GLU  75   3.247  -7.310 -11.837
  557   1HG   GLU  75          HG2       GLU  75   3.909  -9.550 -11.428
  558   2HG   GLU  75          HG1       GLU  75   4.476  -9.098 -13.030
  559    H    HIS  76           HN       HIS  76   3.718  -6.639 -14.580
  560    HA   HIS  76           HA       HIS  76   4.021  -7.060 -16.780
  561   1HB   HIS  76          HB2       HIS  76   5.871  -5.410 -16.590
  562   2HB   HIS  76          HB1       HIS  76   6.978  -6.725 -16.224
  563    HD1  HIS  76           HD1      HIS  76   8.137  -7.746 -18.162
  564    HD2  HIS  76           HD2      HIS  76   4.728  -5.655 -19.303
  565    HE1  HIS  76           HE1      HIS  76   8.134  -7.771 -20.680
  566    HE2  HIS  76           HE2      HIS  76   6.183  -6.319 -21.342
  567    H    HIS  77           HN       HIS  77   4.742  -9.073 -14.416
  568    HA   HIS  77           HA       HIS  77   5.077 -11.301 -14.209
  569   1HB   HIS  77          HB2       HIS  77   3.217 -11.512 -15.736
  570   2HB   HIS  77          HB1       HIS  77   4.253 -11.216 -17.123
  571    HD1  HIS  77           HD1      HIS  77   3.707 -13.863 -14.435
  572    HD2  HIS  77           HD2      HIS  77   5.224 -13.470 -18.294
  573    HE1  HIS  77           HE1      HIS  77   4.198 -16.204 -15.223
  574    HE2  HIS  77           HE2      HIS  77   5.238 -15.932 -17.505
  575    H    HIS  78           HN       HIS  78   7.353 -10.719 -13.827
  576    HA   HIS  78           HA       HIS  78   9.090 -11.481 -16.058
  577   1HB   HIS  78          HB2       HIS  78  10.986 -10.774 -14.527
  578   2HB   HIS  78          HB1       HIS  78   9.921  -9.502 -15.102
  579    HD1  HIS  78           HD1      HIS  78  10.794 -11.428 -11.975
  580    HD2  HIS  78           HD2      HIS  78   8.646  -8.067 -13.148
  581    HE1  HIS  78           HE1      HIS  78  10.145 -10.259  -9.847
  582    HE2  HIS  78           HE2      HIS  78   8.597  -8.418 -10.592
  583    H    HIS  79           HN       HIS  79   7.798 -13.580 -15.468
  584    HA   HIS  79           HA       HIS  79   9.697 -15.250 -13.964
  585   1HB   HIS  79          HB2       HIS  79   6.769 -15.623 -14.573
  586   2HB   HIS  79          HB1       HIS  79   7.796 -17.012 -14.229
  587    HD1  HIS  79           HD1      HIS  79   7.201 -17.706 -11.916
  588    HD2  HIS  79           HD2      HIS  79   7.624 -13.578 -12.258
  589    HE1  HIS  79           HE1      HIS  79   6.942 -16.797  -9.586
  590    HE2  HIS  79           HE2      HIS  79   6.967 -14.292  -9.862
  591    H    HIS  80           HN       HIS  80  10.635 -16.990 -15.032
  592    HA   HIS  80           HA       HIS  80  11.799 -17.836 -16.795
  593   1HB   HIS  80          HB2       HIS  80   9.432 -17.095 -18.542
  594   2HB   HIS  80          HB1       HIS  80  10.692 -18.265 -18.910
  595    HD1  HIS  80           HD1      HIS  80   7.318 -18.119 -17.839
  596    HD2  HIS  80           HD2      HIS  80  10.593 -20.482 -16.835
  597    HE1  HIS  80           HE1      HIS  80   6.363 -20.184 -16.773
  598    HE2  HIS  80           HE2      HIS  80   8.363 -21.523 -16.029
  599    H    HIS  81           HN       HIS  81  10.082 -15.645 -18.886
  600    HA   HIS  81           HA       HIS  81  11.387 -13.273 -18.495
  601   1HB   HIS  81          HB2       HIS  81  12.906 -13.189 -20.522
  602   2HB   HIS  81          HB1       HIS  81  13.503 -14.128 -19.165
  603    HD1  HIS  81           HD1      HIS  81  12.161 -14.521 -22.657
  604    HD2  HIS  81           HD2      HIS  81  13.978 -16.794 -19.692
  605    HE1  HIS  81           HE1      HIS  81  12.837 -16.673 -23.773
  606    HE2  HIS  81           HE2      HIS  81  14.123 -17.935 -22.005
  Start of MODEL   14
    1   1H    MET   1          HT1       MET   1  16.246  -0.567   2.892
    2   2H    MET   1          HT2       MET   1  16.350   1.108   2.653
    3   3H    MET   1          HT3       MET   1  15.290   0.181   1.706
    4    HA   MET   1           HA       MET   1  13.970  -0.357   3.632
    5   1HB   MET   1          HB2       MET   1  15.978   1.418   5.034
    6   2HB   MET   1          HB1       MET   1  14.430   0.963   5.731
    7   1HG   MET   1          HG2       MET   1  16.269  -0.406   6.575
    8   2HG   MET   1          HG1       MET   1  15.062  -1.362   5.720
    9   1HE   MET   1          HE1       MET   1  18.562  -3.119   5.060
   10   2HE   MET   1          HE2       MET   1  16.970  -3.310   5.795
   11   3HE   MET   1          HE3       MET   1  18.138  -2.190   6.497
   12    H    GLU   2           HN       GLU   2  12.243   0.998   4.264
   13    HA   GLU   2           HA       GLU   2  10.813   2.755   4.189
   14   1HB   GLU   2          HB2       GLU   2  12.763   4.129   4.938
   15   2HB   GLU   2          HB1       GLU   2  13.140   4.441   3.250
   16   1HG   GLU   2          HG2       GLU   2  11.944   6.303   4.256
   17   2HG   GLU   2          HG1       GLU   2  11.007   5.561   2.957
   18    H    ILE   3           HN       ILE   3   9.550   3.973   2.681
   19    HA   ILE   3           HA       ILE   3   9.552   2.868   0.051
   20    HB   ILE   3           HB       ILE   3   7.758   4.623  -0.379
   21   1HG1  ILE   3          HG12      ILE   3   8.073   5.033   2.604
   22   2HG1  ILE   3          HG11      ILE   3   8.472   6.216   1.362
   23   1HG2  ILE   3          HG21      ILE   3   7.388   2.675   1.896
   24   2HG2  ILE   3          HG22      ILE   3   7.240   2.314   0.176
   25   3HG2  ILE   3          HG23      ILE   3   6.090   3.404   0.950
   26   1HD1  ILE   3          HD11      ILE   3   6.332   6.689   2.429
   27   2HD1  ILE   3          HD12      ILE   3   5.724   5.117   1.909
   28   3HD1  ILE   3          HD13      ILE   3   6.140   6.344   0.711
   29    H    THR   4           HN       THR   4  10.478   3.583  -1.742
   30    HA   THR   4           HA       THR   4  11.678   6.274  -1.715
   31    HB   THR   4           HB       THR   4  12.928   4.007  -3.237
   32    HG1  THR   4           HG1      THR   4  12.728   4.206  -0.512
   33   1HG2  THR   4          HG21      THR   4  14.961   5.315  -2.879
   34   2HG2  THR   4          HG22      THR   4  14.061   6.462  -1.887
   35   3HG2  THR   4          HG23      THR   4  13.704   6.317  -3.608
   36    H    CYS   5           HN       CYS   5  11.592   7.417  -3.652
   37    HA   CYS   5           HA       CYS   5   9.557   6.598  -5.514
   38   1HB   CYS   5          HB2       CYS   5   9.840   8.963  -4.796
   39   2HB   CYS   5          HB1       CYS   5  11.407   8.997  -5.593
   40    HA   PRO   6           HA       PRO   6  12.424   4.544  -8.230
   41   1HB   PRO   6          HB2       PRO   6  10.730   4.019 -10.253
   42   2HB   PRO   6          HB1       PRO   6  10.620   3.182  -8.700
   43   1HG   PRO   6          HG2       PRO   6   9.012   5.492  -9.726
   44   2HG   PRO   6          HG1       PRO   6   8.462   4.042  -8.865
   45   1HD   PRO   6          HD2       PRO   6   8.844   6.450  -7.647
   46   2HD   PRO   6          HD1       PRO   6   9.028   4.895  -6.812
   47    H    VAL   7           HN       VAL   7  12.021   7.569  -8.326
   48    HA   VAL   7           HA       VAL   7  13.061   7.972 -11.035
   49    HB   VAL   7           HB       VAL   7  11.011   9.780  -9.723
   50   1HG1  VAL   7          HG11      VAL   7  12.645  11.038 -11.007
   51   2HG1  VAL   7          HG12      VAL   7  11.082  11.042 -11.824
   52   3HG1  VAL   7          HG13      VAL   7  12.377   9.991 -12.402
   53   1HG2  VAL   7          HG21      VAL   7   9.533   9.151 -11.572
   54   2HG2  VAL   7          HG22      VAL   7   9.979   7.751 -10.598
   55   3HG2  VAL   7          HG23      VAL   7  10.752   8.020 -12.159
   56    H    CYS   8           HN       CYS   8  12.298   9.699  -8.033
   57    HA   CYS   8           HA       CYS   8  15.048  10.703  -7.975
   58   1HB   CYS   8          HB2       CYS   8  14.178  12.297  -6.235
   59   2HB   CYS   8          HB1       CYS   8  13.479  12.515  -7.834
   60    H    HIS   9           HN       HIS   9  16.367   9.546  -6.802
   61    HA   HIS   9           HA       HIS   9  15.526   7.628  -4.882
   62   1HB   HIS   9          HB2       HIS   9  17.604   7.379  -6.187
   63   2HB   HIS   9          HB1       HIS   9  18.289   8.773  -5.362
   64    HD1  HIS   9           HD1      HIS   9  20.009   7.955  -3.796
   65    HD2  HIS   9           HD2      HIS   9  16.683   5.463  -3.866
   66    HE1  HIS   9           HE1      HIS   9  20.463   6.171  -2.082
   67    HE2  HIS   9           HE2      HIS   9  18.562   4.533  -2.350
   68    H    HIS  10           HN       HIS  10  14.212   8.931  -3.529
   69    HA   HIS  10           HA       HIS  10  15.709  10.037  -1.285
   70   1HB   HIS  10          HB2       HIS  10  13.881  11.577  -3.044
   71   2HB   HIS  10          HB1       HIS  10  13.650  11.799  -1.314
   72    HD1  HIS  10           HD1      HIS  10  16.438  12.071  -3.900
   73    HD2  HIS  10           HD2      HIS  10  15.338  13.590  -0.193
   74    HE1  HIS  10           HE1      HIS  10  18.146  13.825  -3.350
   75    HE2  HIS  10           HE2      HIS  10  17.573  14.592  -1.024
   76    H    ALA  11           HN       ALA  11  14.367  10.168   0.669
   77    HA   ALA  11           HA       ALA  11  12.671   7.832   0.794
   78   1HB   ALA  11          HB1       ALA  11  13.514   9.747   2.967
   79   2HB   ALA  11          HB2       ALA  11  14.326   8.239   2.542
   80   3HB   ALA  11          HB3       ALA  11  12.692   8.205   3.206
   81    H    LEU  12           HN       LEU  12  10.530   7.806   0.783
   82    HA   LEU  12           HA       LEU  12   9.099  10.341   0.646
   83   1HB   LEU  12          HB2       LEU  12   7.997   7.553   0.312
   84   2HB   LEU  12          HB1       LEU  12   7.242   9.055  -0.181
   85    HG   LEU  12           HG       LEU  12   9.709   7.815  -1.407
   86   1HD1  LEU  12          HD11      LEU  12   7.656   6.652  -1.993
   87   2HD1  LEU  12          HD12      LEU  12   8.283   7.546  -3.378
   88   3HD1  LEU  12          HD13      LEU  12   6.910   8.178  -2.467
   89   1HD2  LEU  12          HD21      LEU  12   9.580   9.613  -3.049
   90   2HD2  LEU  12          HD22      LEU  12   9.841  10.254  -1.426
   91   3HD2  LEU  12          HD23      LEU  12   8.240  10.336  -2.157
   92    H    GLU  13           HN       GLU  13   6.950  10.439   1.805
   93    HA   GLU  13           HA       GLU  13   7.131   9.110   4.427
   94   1HB   GLU  13          HB2       GLU  13   7.281  11.828   3.975
   95   2HB   GLU  13          HB1       GLU  13   5.583  11.595   4.370
   96   1HG   GLU  13          HG2       GLU  13   7.874  10.640   6.072
   97   2HG   GLU  13          HG1       GLU  13   7.008  12.154   6.316
   98    H    ARG  14           HN       ARG  14   5.147   8.558   5.426
   99    HA   ARG  14           HA       ARG  14   3.147   7.780   3.446
  100   1HB   ARG  14          HB2       ARG  14   3.495   6.963   6.338
  101   2HB   ARG  14          HB1       ARG  14   2.232   6.360   5.279
  102   1HG   ARG  14          HG2       ARG  14   3.837   4.678   5.287
  103   2HG   ARG  14          HG1       ARG  14   4.127   5.538   3.776
  104   1HD   ARG  14          HD2       ARG  14   6.211   4.991   4.964
  105   2HD   ARG  14          HD1       ARG  14   5.984   6.729   4.771
  106    HE   ARG  14           HE       ARG  14   5.273   6.777   7.123
  107   1HH1  ARG  14          HH11      ARG  14   7.160   4.047   6.000
  108   2HH1  ARG  14          HH12      ARG  14   7.697   3.608   7.595
  109   1HH2  ARG  14          HH21      ARG  14   6.024   6.229   9.202
  110   2HH2  ARG  14          HH22      ARG  14   7.077   4.865   9.402
  111    H    ASN  15           HN       ASN  15   1.168   8.636   3.325
  112    HA   ASN  15           HA       ASN  15   0.318  10.493   5.459
  113   1HB   ASN  15          HB2       ASN  15   0.035  10.613   2.473
  114   2HB   ASN  15          HB1       ASN  15  -1.152  11.414   3.491
  115   1HD2  ASN  15          HD21      ASN  15   2.158  11.192   4.525
  116   2HD2  ASN  15          HD22      ASN  15   2.553  12.859   4.268
  117    H    GLY  16           HN       GLY  16  -0.128   7.663   5.463
  118   1HA   GLY  16          HA2       GLY  16  -1.971   6.438   6.223
  119   2HA   GLY  16          HA1       GLY  16  -3.037   7.672   5.569
  120    H    ASP  17           HN       ASP  17  -3.855   7.451   3.549
  121    HA   ASP  17           HA       ASP  17  -3.568   4.805   2.363
  122   1HB   ASP  17          HB2       ASP  17  -5.553   5.407   1.052
  123   2HB   ASP  17          HB1       ASP  17  -5.827   5.688   2.769
  124    H    THR  18           HN       THR  18  -1.894   7.530   2.048
  125    HA   THR  18           HA       THR  18  -1.206   6.971  -0.718
  126    HB   THR  18           HB       THR  18  -2.979   8.705  -0.838
  127    HG1  THR  18           HG1      THR  18  -0.931   8.627  -2.222
  128   1HG2  THR  18          HG21      THR  18  -2.521  10.974  -0.038
  129   2HG2  THR  18          HG22      THR  18  -1.020  10.413   0.699
  130   3HG2  THR  18          HG23      THR  18  -2.569   9.820   1.296
  131    H    ALA  19           HN       ALA  19   0.865   7.811  -1.318
  132    HA   ALA  19           HA       ALA  19   2.540   8.581   0.983
  133   1HB   ALA  19          HB1       ALA  19   3.159   6.438  -0.058
  134   2HB   ALA  19          HB2       ALA  19   4.434   7.645  -0.220
  135   3HB   ALA  19          HB3       ALA  19   3.399   7.265  -1.596
  136    H    HIS  20           HN       HIS  20   3.988  10.289   0.762
  137    HA   HIS  20           HA       HIS  20   3.304  12.117  -1.440
  138   1HB   HIS  20          HB2       HIS  20   2.758  13.045   0.714
  139   2HB   HIS  20          HB1       HIS  20   4.359  12.671   1.340
  140    HD1  HIS  20           HD1      HIS  20   2.736  14.917  -1.272
  141    HD2  HIS  20           HD2      HIS  20   6.155  14.691   1.087
  142    HE1  HIS  20           HE1      HIS  20   3.966  17.083  -1.641
  143    HE2  HIS  20           HE2      HIS  20   5.920  16.994  -0.053
  144    H    CYS  21           HN       CYS  21   4.790  12.830  -2.812
  145    HA   CYS  21           HA       CYS  21   7.590  12.031  -2.374
  146   1HB   CYS  21          HB2       CYS  21   6.275  11.252  -4.448
  147   2HB   CYS  21          HB1       CYS  21   6.372  12.927  -4.991
  148    H    GLU  22           HN       GLU  22   8.977  13.630  -1.844
  149    HA   GLU  22           HA       GLU  22   8.192  16.377  -1.913
  150   1HB   GLU  22          HB2       GLU  22  10.909  15.153  -1.392
  151   2HB   GLU  22          HB1       GLU  22  10.483  16.834  -1.111
  152   1HG   GLU  22          HG2       GLU  22   9.256  14.461   0.276
  153   2HG   GLU  22          HG1       GLU  22  10.490  15.522   0.947
  154    H    THR  23           HN       THR  23  11.259  15.162  -3.230
  155    HA   THR  23           HA       THR  23  11.372  16.948  -5.390
  156    HB   THR  23           HB       THR  23  12.734  14.648  -6.212
  157    HG1  THR  23           HG1      THR  23  13.458  14.914  -3.523
  158   1HG2  THR  23          HG21      THR  23  14.737  15.854  -5.512
  159   2HG2  THR  23          HG22      THR  23  13.760  16.921  -4.505
  160   3HG2  THR  23          HG23      THR  23  13.583  16.959  -6.261
  161    H    CYS  24           HN       CYS  24  10.542  16.836  -7.468
  162    HA   CYS  24           HA       CYS  24   8.708  16.598  -8.757
  163   1HB   CYS  24          HB2       CYS  24   8.452  14.532  -9.925
  164   2HB   CYS  24          HB1       CYS  24  10.165  14.746  -9.623
  165    H    ALA  25           HN       ALA  25   7.112  17.341  -7.527
  166    HA   ALA  25           HA       ALA  25   5.991  16.132  -5.286
  167   1HB   ALA  25          HB1       ALA  25   5.793  18.518  -5.774
  168   2HB   ALA  25          HB2       ALA  25   4.213  17.783  -5.493
  169   3HB   ALA  25          HB3       ALA  25   4.734  18.151  -7.136
  170    H    LYS  26           HN       LYS  26   4.825  14.387  -5.126
  171    HA   LYS  26           HA       LYS  26   2.690  13.828  -6.995
  172   1HB   LYS  26          HB2       LYS  26   5.196  12.258  -6.877
  173   2HB   LYS  26          HB1       LYS  26   3.706  11.329  -6.892
  174   1HG   LYS  26          HG2       LYS  26   3.030  12.518  -8.947
  175   2HG   LYS  26          HG1       LYS  26   4.597  13.331  -8.952
  176   1HD   LYS  26          HD2       LYS  26   5.756  11.325  -9.334
  177   2HD   LYS  26          HD1       LYS  26   4.366  10.339  -8.875
  178   1HE   LYS  26          HE2       LYS  26   4.594  12.073 -11.330
  179   2HE   LYS  26          HE1       LYS  26   4.694  10.312 -11.288
  180   1HZ   LYS  26          HZ1       LYS  26   2.387  10.406 -10.275
  181   2HZ   LYS  26          HZ2       LYS  26   2.513  10.784 -11.918
  182   3HZ   LYS  26          HZ3       LYS  26   2.334  12.027 -10.776
  183    H    ASP  27           HN       ASP  27   1.216  12.280  -6.246
  184    HA   ASP  27           HA       ASP  27   1.599  11.330  -3.496
  185   1HB   ASP  27          HB2       ASP  27  -0.831  11.695  -3.077
  186   2HB   ASP  27          HB1       ASP  27   0.056  13.192  -3.326
  187    H    PHE  28           HN       PHE  28   1.623   9.214  -3.512
  188    HA   PHE  28           HA       PHE  28   0.454   7.809  -5.805
  189   1HB   PHE  28          HB2       PHE  28   2.386   6.789  -3.712
  190   2HB   PHE  28          HB1       PHE  28   1.900   5.948  -5.178
  191    HD1  PHE  28           HD1      PHE  28   2.609   6.843  -7.396
  192    HD2  PHE  28           HD2      PHE  28   4.119   8.385  -3.726
  193    HE1  PHE  28           HE1      PHE  28   4.501   7.857  -8.601
  194    HE2  PHE  28           HE2      PHE  28   6.009   9.403  -4.926
  195    HZ   PHE  28           HZ       PHE  28   6.202   9.139  -7.367
  196    H    SER  29           HN       SER  29  -1.220   6.411  -5.589
  197    HA   SER  29           HA       SER  29  -2.619   6.233  -3.108
  198   1HB   SER  29          HB2       SER  29  -3.711   6.139  -5.377
  199   2HB   SER  29          HB1       SER  29  -3.017   4.533  -5.587
  200    HG   SER  29           HG       SER  29  -4.870   5.367  -3.595
  201    H    LEU  30           HN       LEU  30  -2.323   4.808  -1.503
  202    HA   LEU  30           HA       LEU  30  -0.368   2.679  -1.975
  203   1HB   LEU  30          HB2       LEU  30  -0.967   4.450   0.284
  204   2HB   LEU  30          HB1       LEU  30  -0.687   2.779   0.736
  205    HG   LEU  30           HG       LEU  30   1.517   2.806  -0.220
  206   1HD1  LEU  30          HD11      LEU  30   0.862   5.580  -1.197
  207   2HD1  LEU  30          HD12      LEU  30   1.089   4.142  -2.193
  208   3HD1  LEU  30          HD13      LEU  30   2.446   4.812  -1.286
  209   1HD2  LEU  30          HD21      LEU  30   2.596   4.538   1.125
  210   2HD2  LEU  30          HD22      LEU  30   1.319   3.721   2.027
  211   3HD2  LEU  30          HD23      LEU  30   1.036   5.328   1.359
  212    H    GLN  31           HN       GLN  31  -0.672   0.623  -1.324
  213    HA   GLN  31           HA       GLN  31  -3.419  -0.174  -0.610
  214   1HB   GLN  31          HB2       GLN  31  -2.893  -0.635  -2.988
  215   2HB   GLN  31          HB1       GLN  31  -1.499  -1.577  -2.485
  216   1HG   GLN  31          HG2       GLN  31  -2.994  -3.151  -1.345
  217   2HG   GLN  31          HG1       GLN  31  -4.381  -2.214  -1.905
  218   1HE2  GLN  31          HE21      GLN  31  -3.652  -4.994  -2.433
  219   2HE2  GLN  31          HE22      GLN  31  -3.537  -5.134  -4.158
  220    H    ALA  32           HN       ALA  32  -3.538  -1.452   1.136
  221    HA   ALA  32           HA       ALA  32  -1.113  -2.054   2.569
  222   1HB   ALA  32          HB1       ALA  32  -2.633  -2.808   4.353
  223   2HB   ALA  32          HB2       ALA  32  -4.001  -2.544   3.273
  224   3HB   ALA  32          HB3       ALA  32  -3.010  -1.183   3.788
  225    H    LEU  33           HN       LEU  33  -0.025  -3.861   2.434
  226    HA   LEU  33           HA       LEU  33  -1.439  -6.382   1.861
  227   1HB   LEU  33          HB2       LEU  33   0.013  -5.273  -0.046
  228   2HB   LEU  33          HB1       LEU  33   1.356  -5.899   0.886
  229    HG   LEU  33           HG       LEU  33   0.516  -8.176   0.615
  230   1HD1  LEU  33          HD11      LEU  33  -1.362  -8.635  -0.879
  231   2HD1  LEU  33          HD12      LEU  33  -1.649  -6.904  -1.061
  232   3HD1  LEU  33          HD13      LEU  33  -1.875  -7.676   0.509
  233   1HD2  LEU  33          HD21      LEU  33   0.827  -8.315  -1.863
  234   2HD2  LEU  33          HD22      LEU  33   2.074  -7.392  -1.024
  235   3HD2  LEU  33          HD23      LEU  33   0.799  -6.553  -1.909
  236    H    CYS  34           HN       CYS  34  -0.291  -8.288   2.837
  237    HA   CYS  34           HA       CYS  34   1.338  -7.357   5.094
  238   1HB   CYS  34          HB2       CYS  34   0.418  -9.299   6.386
  239   2HB   CYS  34          HB1       CYS  34  -0.750  -8.041   6.005
  240    HA   PRO  35           HA       PRO  35   4.518  -9.782   3.319
  241   1HB   PRO  35          HB2       PRO  35   6.240  -9.619   5.423
  242   2HB   PRO  35          HB1       PRO  35   5.948  -8.281   4.307
  243   1HG   PRO  35          HG2       PRO  35   4.796  -8.764   7.030
  244   2HG   PRO  35          HG1       PRO  35   5.398  -7.253   6.322
  245   1HD   PRO  35          HD2       PRO  35   2.754  -7.833   6.460
  246   2HD   PRO  35          HD1       PRO  35   3.451  -6.889   5.129
  247    H    ASP  36           HN       ASP  36   2.724 -10.622   6.063
  248    HA   ASP  36           HA       ASP  36   4.156 -12.923   6.901
  249   1HB   ASP  36          HB2       ASP  36   1.332 -11.987   7.375
  250   2HB   ASP  36          HB1       ASP  36   1.977 -13.468   8.077
  251    H    CYS  37           HN       CYS  37   1.631 -12.370   4.534
  252    HA   CYS  37           HA       CYS  37   2.049 -15.091   3.568
  253   1HB   CYS  37          HB2       CYS  37  -0.343 -15.536   3.335
  254   2HB   CYS  37          HB1       CYS  37   0.110 -15.314   5.018
  255    H    ARG  38           HN       ARG  38   0.777 -11.859   3.021
  256    HA   ARG  38           HA       ARG  38   0.373 -10.637   1.160
  257   1HB   ARG  38          HB2       ARG  38   2.665 -11.213   0.517
  258   2HB   ARG  38          HB1       ARG  38   2.113 -12.718  -0.199
  259   1HG   ARG  38          HG2       ARG  38   0.888 -11.475  -1.893
  260   2HG   ARG  38          HG1       ARG  38   1.374  -9.953  -1.142
  261   1HD   ARG  38          HD2       ARG  38   2.757 -10.478  -3.092
  262   2HD   ARG  38          HD1       ARG  38   3.709 -10.448  -1.608
  263    HE   ARG  38           HE       ARG  38   2.946 -13.081  -1.990
  264   1HH1  ARG  38          HH11      ARG  38   4.814 -10.696  -3.757
  265   2HH1  ARG  38          HH12      ARG  38   5.880 -11.874  -4.457
  266   1HH2  ARG  38          HH21      ARG  38   4.338 -14.621  -2.918
  267   2HH2  ARG  38          HH22      ARG  38   5.613 -14.104  -3.985
  268    H    GLN  39           HN       GLN  39  -1.058 -13.171   1.988
  269    HA   GLN  39           HA       GLN  39  -2.446 -13.968  -0.437
  270   1HB   GLN  39          HB2       GLN  39  -2.345 -14.895   2.386
  271   2HB   GLN  39          HB1       GLN  39  -3.855 -15.154   1.532
  272   1HG   GLN  39          HG2       GLN  39  -2.388 -17.099   1.471
  273   2HG   GLN  39          HG1       GLN  39  -2.730 -16.477  -0.140
  274   1HE2  GLN  39          HE21      GLN  39  -0.373 -17.058   2.281
  275   2HE2  GLN  39          HE22      GLN  39   1.023 -16.666   1.330
  276    HA   PRO  40           HA       PRO  40  -4.752 -10.230  -0.724
  277   1HB   PRO  40          HB2       PRO  40  -6.935 -12.236  -1.154
  278   2HB   PRO  40          HB1       PRO  40  -6.553 -10.779  -2.078
  279   1HG   PRO  40          HG2       PRO  40  -5.740 -13.358  -2.738
  280   2HG   PRO  40          HG1       PRO  40  -5.027 -11.865  -3.360
  281   1HD   PRO  40          HD2       PRO  40  -3.770 -13.796  -1.707
  282   2HD   PRO  40          HD1       PRO  40  -3.139 -12.196  -2.148
  283    H    LEU  41           HN       LEU  41  -4.984  -9.253   1.189
  284    HA   LEU  41           HA       LEU  41  -5.641 -10.487   3.555
  285   1HB   LEU  41          HB2       LEU  41  -5.675  -7.596   2.756
  286   2HB   LEU  41          HB1       LEU  41  -6.104  -8.095   4.381
  287    HG   LEU  41           HG       LEU  41  -3.825  -9.234   4.484
  288   1HD1  LEU  41          HD11      LEU  41  -3.293  -9.282   2.130
  289   2HD1  LEU  41          HD12      LEU  41  -2.100  -8.320   3.008
  290   3HD1  LEU  41          HD13      LEU  41  -3.352  -7.519   2.057
  291   1HD2  LEU  41          HD21      LEU  41  -4.308  -7.177   5.671
  292   2HD2  LEU  41          HD22      LEU  41  -3.939  -6.238   4.223
  293   3HD2  LEU  41          HD23      LEU  41  -2.666  -7.155   5.028
  294    H    GLN  42           HN       GLN  42  -7.688  -7.825   2.604
  295    HA   GLN  42           HA       GLN  42 -10.107  -8.980   2.107
  296   1HB   GLN  42          HB2       GLN  42  -9.983 -10.136   4.261
  297   2HB   GLN  42          HB1       GLN  42  -9.673  -8.619   5.086
  298   1HG   GLN  42          HG2       GLN  42 -11.962  -9.388   5.407
  299   2HG   GLN  42          HG1       GLN  42 -11.902  -7.842   4.567
  300   1HE2  GLN  42          HE21      GLN  42 -12.669  -7.691   2.503
  301   2HE2  GLN  42          HE22      GLN  42 -13.508  -8.978   1.703
  302    H    VAL  43           HN       VAL  43 -10.736  -7.216   1.048
  303    HA   VAL  43           HA       VAL  43 -10.080  -4.596   1.956
  304    HB   VAL  43           HB       VAL  43 -10.176  -4.890  -0.398
  305   1HG1  VAL  43          HG11      VAL  43 -12.212  -5.566  -1.586
  306   2HG1  VAL  43          HG12      VAL  43 -13.005  -5.847  -0.035
  307   3HG1  VAL  43          HG13      VAL  43 -11.611  -6.822  -0.502
  308   1HG2  VAL  43          HG21      VAL  43 -10.936  -2.718   0.322
  309   2HG2  VAL  43          HG22      VAL  43 -12.584  -3.317   0.508
  310   3HG2  VAL  43          HG23      VAL  43 -11.856  -3.220  -1.096
  311    H    LEU  44           HN       LEU  44 -10.999  -3.699   3.578
  312    HA   LEU  44           HA       LEU  44 -13.787  -4.331   4.262
  313   1HB   LEU  44          HB2       LEU  44 -11.587  -3.141   5.965
  314   2HB   LEU  44          HB1       LEU  44 -13.181  -3.623   6.521
  315    HG   LEU  44           HG       LEU  44 -11.261  -5.602   5.310
  316   1HD1  LEU  44          HD11      LEU  44 -10.178  -4.529   7.248
  317   2HD1  LEU  44          HD12      LEU  44 -10.560  -6.226   7.538
  318   3HD1  LEU  44          HD13      LEU  44 -11.572  -4.958   8.240
  319   1HD2  LEU  44          HD21      LEU  44 -12.626  -7.208   6.551
  320   2HD2  LEU  44          HD22      LEU  44 -13.597  -6.271   5.415
  321   3HD2  LEU  44          HD23      LEU  44 -13.640  -5.891   7.138
  322    H    LYS  45           HN       LYS  45 -15.231  -2.790   3.731
  323    HA   LYS  45           HA       LYS  45 -14.186  -0.067   3.301
  324   1HB   LYS  45          HB2       LYS  45 -16.799  -1.064   2.196
  325   2HB   LYS  45          HB1       LYS  45 -15.830   0.295   1.654
  326   1HG   LYS  45          HG2       LYS  45 -15.291  -1.127  -0.001
  327   2HG   LYS  45          HG1       LYS  45 -14.108  -1.711   1.173
  328   1HD   LYS  45          HD2       LYS  45 -15.535  -3.503   1.834
  329   2HD   LYS  45          HD1       LYS  45 -16.886  -2.849   0.907
  330   1HE   LYS  45          HE2       LYS  45 -15.557  -3.203  -1.163
  331   2HE   LYS  45          HE1       LYS  45 -14.318  -3.989  -0.182
  332   1HZ   LYS  45          HZ1       LYS  45 -15.779  -5.618  -1.184
  333   2HZ   LYS  45          HZ2       LYS  45 -17.137  -4.884  -0.478
  334   3HZ   LYS  45          HZ3       LYS  45 -15.972  -5.630   0.503
  335    H    ALA  46           HN       ALA  46 -15.118   1.661   4.273
  336    HA   ALA  46           HA       ALA  46 -17.559   1.156   5.844
  337   1HB   ALA  46          HB1       ALA  46 -15.714   1.688   7.321
  338   2HB   ALA  46          HB2       ALA  46 -16.862   3.027   7.303
  339   3HB   ALA  46          HB3       ALA  46 -15.353   3.145   6.396
  340    H    CYS  47           HN       CYS  47 -16.207   4.318   5.250
  341    HA   CYS  47           HA       CYS  47 -17.928   4.771   2.945
  342   1HB   CYS  47          HB2       CYS  47 -19.281   5.375   4.958
  343   2HB   CYS  47          HB1       CYS  47 -18.041   6.540   5.403
  344    HG   CYS  47           HG       CYS  47 -18.429   8.165   3.156
  345    H    GLY  48           HN       GLY  48 -16.178   5.108   1.647
  346   1HA   GLY  48          HA2       GLY  48 -14.608   6.563   0.671
  347   2HA   GLY  48          HA1       GLY  48 -14.565   7.486   2.169
  348    H    ALA  49           HN       ALA  49 -14.055   5.508   3.999
  349    HA   ALA  49           HA       ALA  49 -11.255   5.070   3.625
  350   1HB   ALA  49          HB1       ALA  49 -13.093   4.110   5.818
  351   2HB   ALA  49          HB2       ALA  49 -12.177   5.617   5.823
  352   3HB   ALA  49          HB3       ALA  49 -11.330   4.070   5.855
  353    H    VAL  50           HN       VAL  50 -10.301   3.373   2.774
  354    HA   VAL  50           HA       VAL  50 -11.786   0.837   2.558
  355    HB   VAL  50           HB       VAL  50  -9.699   1.900   0.638
  356   1HG1  VAL  50          HG11      VAL  50 -11.383  -0.598   0.514
  357   2HG1  VAL  50          HG12      VAL  50  -9.649  -0.528   0.826
  358   3HG1  VAL  50          HG13      VAL  50 -10.284  -0.033  -0.744
  359   1HG2  VAL  50          HG21      VAL  50 -11.533   2.086  -0.971
  360   2HG2  VAL  50          HG22      VAL  50 -11.801   3.117   0.435
  361   3HG2  VAL  50          HG23      VAL  50 -12.679   1.596   0.278
  362    H    ASP  51           HN       ASP  51 -10.919  -0.716   3.757
  363    HA   ASP  51           HA       ASP  51  -8.072  -0.505   4.479
  364   1HB   ASP  51          HB2       ASP  51 -10.440  -1.641   5.942
  365   2HB   ASP  51          HB1       ASP  51  -8.808  -2.161   6.339
  366    H    TYR  52           HN       TYR  52  -6.847  -2.437   4.624
  367    HA   TYR  52           HA       TYR  52  -8.010  -4.831   3.361
  368   1HB   TYR  52          HB2       TYR  52  -5.150  -3.916   2.935
  369   2HB   TYR  52          HB1       TYR  52  -5.947  -5.286   2.181
  370    HD1  TYR  52           HD2      TYR  52  -7.500  -4.956   0.328
  371    HD2  TYR  52           HD1      TYR  52  -5.536  -1.654   2.158
  372    HE1  TYR  52           HE2      TYR  52  -8.122  -3.533  -1.581
  373    HE2  TYR  52           HE1      TYR  52  -6.150  -0.225   0.255
  374    HH   TYR  52           HH       TYR  52  -6.772  -0.411  -2.063
  375    H    PHE  53           HN       PHE  53  -8.064  -6.284   4.980
  376    HA   PHE  53           HA       PHE  53  -5.763  -6.645   6.756
  377   1HB   PHE  53          HB2       PHE  53  -7.536  -4.779   7.503
  378   2HB   PHE  53          HB1       PHE  53  -8.380  -6.197   8.108
  379    HD1  PHE  53           HD1      PHE  53  -4.853  -4.932   8.108
  380    HD2  PHE  53           HD2      PHE  53  -8.092  -6.577  10.326
  381    HE1  PHE  53           HE1      PHE  53  -3.495  -4.835  10.153
  382    HE2  PHE  53           HE2      PHE  53  -6.739  -6.488  12.372
  383    HZ   PHE  53           HZ       PHE  53  -4.438  -5.614  12.290
  384    H    CYS  54           HN       CYS  54  -5.522  -8.806   6.850
  385    HA   CYS  54           HA       CYS  54  -7.570 -10.647   6.132
  386   1HB   CYS  54          HB2       CYS  54  -4.884 -11.046   7.482
  387   2HB   CYS  54          HB1       CYS  54  -5.963 -12.376   7.104
  388    H    GLN  55           HN       GLN  55  -9.334 -10.205   7.499
  389    HA   GLN  55           HA       GLN  55  -8.984 -10.112  10.337
  390   1HB   GLN  55          HB2       GLN  55 -10.736  -8.839   9.083
  391   2HB   GLN  55          HB1       GLN  55 -11.561 -10.362   8.786
  392   1HG   GLN  55          HG2       GLN  55 -12.094 -10.648  11.043
  393   2HG   GLN  55          HG1       GLN  55 -10.922  -9.436  11.563
  394   1HE2  GLN  55          HE21      GLN  55 -14.067  -9.983  10.191
  395   2HE2  GLN  55          HE22      GLN  55 -14.645  -8.358  10.373
  396    H    ASN  56           HN       ASN  56  -9.932 -12.501   7.998
  397    HA   ASN  56           HA       ASN  56  -9.899 -14.528  10.125
  398   1HB   ASN  56          HB2       ASN  56 -11.763 -14.439   7.738
  399   2HB   ASN  56          HB1       ASN  56 -11.604 -15.809   8.829
  400   1HD2  ASN  56          HD21      ASN  56 -13.917 -14.165   8.191
  401   2HD2  ASN  56          HD22      ASN  56 -14.477 -13.514   9.696
  402    H    GLY  57           HN       GLY  57  -9.498 -16.760   9.156
  403   1HA   GLY  57          HA2       GLY  57  -8.357 -18.189   7.727
  404   2HA   GLY  57          HA1       GLY  57  -8.162 -16.854   6.597
  405    H    HIS  58           HN       HIS  58  -6.658 -15.068   7.540
  406    HA   HIS  58           HA       HIS  58  -4.206 -16.421   8.371
  407   1HB   HIS  58          HB2       HIS  58  -3.952 -14.986   6.446
  408   2HB   HIS  58          HB1       HIS  58  -4.704 -13.638   7.290
  409    HD2  HIS  58           HD2      HIS  58  -1.718 -15.727   8.810
  410    HE1  HIS  58           HE1      HIS  58  -0.454 -11.731   8.161
  411    HE2  HIS  58           HE2      HIS  58   0.095 -13.936   9.258
  412    H    GLY  59           HN       GLY  59  -5.649 -13.249   9.159
  413   1HA   GLY  59          HA2       GLY  59  -6.376 -13.142  11.607
  414   2HA   GLY  59          HA1       GLY  59  -4.720 -13.651  11.921
  415    H    LEU  60           HN       LEU  60  -6.026 -11.209  12.753
  416    HA   LEU  60           HA       LEU  60  -5.409  -8.993  11.180
  417   1HB   LEU  60          HB2       LEU  60  -5.514  -7.679  13.241
  418   2HB   LEU  60          HB1       LEU  60  -6.835  -8.820  13.143
  419    HG   LEU  60           HG       LEU  60  -4.371  -9.409  14.772
  420   1HD1  LEU  60          HD11      LEU  60  -6.880  -8.009  15.685
  421   2HD1  LEU  60          HD12      LEU  60  -5.286  -7.271  15.528
  422   3HD1  LEU  60          HD13      LEU  60  -5.555  -8.545  16.716
  423   1HD2  LEU  60          HD21      LEU  60  -5.871 -11.284  14.266
  424   2HD2  LEU  60          HD22      LEU  60  -7.224 -10.380  14.948
  425   3HD2  LEU  60          HD23      LEU  60  -5.888 -10.884  15.984
  426    H    ILE  61           HN       ILE  61  -3.575  -8.261  10.485
  427    HA   ILE  61           HA       ILE  61  -1.069  -9.260  11.489
  428    HB   ILE  61           HB       ILE  61  -1.488  -7.137   9.373
  429   1HG1  ILE  61          HG12      ILE  61  -0.979  -9.263   7.869
  430   2HG1  ILE  61          HG11      ILE  61  -1.715 -10.111   9.224
  431   1HG2  ILE  61          HG21      ILE  61   0.787  -7.283  10.228
  432   2HG2  ILE  61          HG22      ILE  61   0.705  -7.848   8.558
  433   3HG2  ILE  61          HG23      ILE  61   0.818  -9.011   9.880
  434   1HD1  ILE  61          HD11      ILE  61  -2.985  -7.927   7.589
  435   2HD1  ILE  61          HD12      ILE  61  -3.727  -8.735   8.970
  436   3HD1  ILE  61          HD13      ILE  61  -3.353  -9.650   7.508
  437    H    SER  62           HN       SER  62   0.577  -7.999  12.440
  438    HA   SER  62           HA       SER  62  -0.092  -5.881  14.112
  439   1HB   SER  62          HB2       SER  62   2.604  -6.415  12.829
  440   2HB   SER  62          HB1       SER  62   2.314  -5.487  14.301
  441    HG   SER  62           HG       SER  62   1.160  -7.718  14.797
  442    H    LYS  63           HN       LYS  63  -0.686  -3.872  13.665
  443    HA   LYS  63           HA       LYS  63  -1.205  -3.032  11.069
  444   1HB   LYS  63          HB2       LYS  63  -2.422  -2.237  13.035
  445   2HB   LYS  63          HB1       LYS  63  -0.994  -1.376  13.591
  446   1HG   LYS  63          HG2       LYS  63  -1.103   0.105  11.685
  447   2HG   LYS  63          HG1       LYS  63  -2.468  -0.803  11.029
  448   1HD   LYS  63          HD2       LYS  63  -3.845  -0.173  12.905
  449   2HD   LYS  63          HD1       LYS  63  -2.475   0.612  13.692
  450   1HE   LYS  63          HE2       LYS  63  -3.632   1.437  11.034
  451   2HE   LYS  63          HE1       LYS  63  -4.028   2.194  12.577
  452   1HZ   LYS  63          HZ1       LYS  63  -2.328   3.436  11.391
  453   2HZ   LYS  63          HZ2       LYS  63  -1.318   2.075  11.356
  454   3HZ   LYS  63          HZ3       LYS  63  -1.705   2.804  12.836
  455    H    LYS  64           HN       LYS  64   1.622  -2.436  13.074
  456    HA   LYS  64           HA       LYS  64   2.618  -0.469  11.165
  457   1HB   LYS  64          HB2       LYS  64   3.639  -1.422  13.834
  458   2HB   LYS  64          HB1       LYS  64   4.564  -0.343  12.795
  459   1HG   LYS  64          HG2       LYS  64   2.708   1.273  12.851
  460   2HG   LYS  64          HG1       LYS  64   1.831   0.202  13.944
  461   1HD   LYS  64          HD2       LYS  64   4.570   1.292  14.552
  462   2HD   LYS  64          HD1       LYS  64   3.081   2.110  15.024
  463   1HE   LYS  64          HE2       LYS  64   2.414   0.200  16.351
  464   2HE   LYS  64          HE1       LYS  64   3.829  -0.702  15.809
  465   1HZ   LYS  64          HZ1       LYS  64   4.007   0.352  18.058
  466   2HZ   LYS  64          HZ2       LYS  64   4.023   1.862  17.287
  467   3HZ   LYS  64          HZ3       LYS  64   5.258   0.737  16.982
  468    H    ARG  65           HN       ARG  65   2.477  -3.648  10.991
  469    HA   ARG  65           HA       ARG  65   5.103  -3.795   9.656
  470   1HB   ARG  65          HB2       ARG  65   4.758  -5.458  11.515
  471   2HB   ARG  65          HB1       ARG  65   3.441  -6.151  10.579
  472   1HG   ARG  65          HG2       ARG  65   4.988  -6.719   8.788
  473   2HG   ARG  65          HG1       ARG  65   6.314  -5.976   9.679
  474   1HD   ARG  65          HD2       ARG  65   6.413  -8.355   9.976
  475   2HD   ARG  65          HD1       ARG  65   5.941  -7.612  11.502
  476    HE   ARG  65           HE       ARG  65   3.973  -8.855   9.678
  477   1HH1  ARG  65          HH11      ARG  65   5.418  -8.474  12.840
  478   2HH1  ARG  65          HH12      ARG  65   4.203  -9.416  13.655
  479   1HH2  ARG  65          HH21      ARG  65   2.406 -10.129  10.712
  480   2HH2  ARG  65          HH22      ARG  65   2.476 -10.362  12.433
  481    H    VAL  66           HN       VAL  66   1.922  -3.299   9.131
  482    HA   VAL  66           HA       VAL  66   1.483  -4.884   6.793
  483    HB   VAL  66           HB       VAL  66   0.106  -2.315   7.611
  484   1HG1  VAL  66          HG11      VAL  66  -0.240  -2.863   5.264
  485   2HG1  VAL  66          HG12      VAL  66  -1.725  -3.108   6.183
  486   3HG1  VAL  66          HG13      VAL  66  -0.746  -4.494   5.705
  487   1HG2  VAL  66          HG21      VAL  66  -1.641  -3.764   8.544
  488   2HG2  VAL  66          HG22      VAL  66  -0.096  -3.989   9.362
  489   3HG2  VAL  66          HG23      VAL  66  -0.651  -5.179   8.184
  490    H    ASN  67           HN       ASN  67   2.380  -4.570   4.860
  491    HA   ASN  67           HA       ASN  67   3.961  -2.198   4.417
  492   1HB   ASN  67          HB2       ASN  67   3.548  -4.704   2.789
  493   2HB   ASN  67          HB1       ASN  67   4.514  -3.347   2.220
  494   1HD2  ASN  67          HD21      ASN  67   6.463  -2.868   3.267
  495   2HD2  ASN  67          HD22      ASN  67   7.257  -4.019   4.277
  496    H    PHE  68           HN       PHE  68   2.630  -0.499   4.110
  497    HA   PHE  68           HA       PHE  68   0.577  -0.520   2.100
  498   1HB   PHE  68          HB2       PHE  68   1.906   1.748   3.606
  499   2HB   PHE  68          HB1       PHE  68   0.589   1.971   2.462
  500    HD1  PHE  68           HD2      PHE  68   1.508   0.563   5.739
  501    HD2  PHE  68           HD1      PHE  68  -1.657   1.495   3.053
  502    HE1  PHE  68           HE2      PHE  68  -0.122   0.197   7.540
  503    HE2  PHE  68           HE1      PHE  68  -3.295   1.130   4.850
  504    HZ   PHE  68           HZ       PHE  68  -2.527   0.478   7.099
  505    H    VAL  69           HN       VAL  69   1.361  -1.024   0.138
  506    HA   VAL  69           HA       VAL  69   3.777   0.358  -0.802
  507    HB   VAL  69           HB       VAL  69   3.859  -1.347  -2.589
  508   1HG1  VAL  69          HG11      VAL  69   5.096  -1.712  -0.524
  509   2HG1  VAL  69          HG12      VAL  69   4.495  -3.241  -1.166
  510   3HG1  VAL  69          HG13      VAL  69   3.684  -2.480   0.203
  511   1HG2  VAL  69          HG21      VAL  69   1.468  -1.838  -2.741
  512   2HG2  VAL  69          HG22      VAL  69   1.514  -2.585  -1.144
  513   3HG2  VAL  69          HG23      VAL  69   2.405  -3.309  -2.483
  514    H    ILE  70           HN       ILE  70   3.809   1.058  -3.068
  515    HA   ILE  70           HA       ILE  70   1.540   2.650  -3.691
  516    HB   ILE  70           HB       ILE  70   3.955   1.997  -5.392
  517   1HG1  ILE  70          HG12      ILE  70   3.374   4.397  -3.641
  518   2HG1  ILE  70          HG11      ILE  70   4.464   3.083  -3.217
  519   1HG2  ILE  70          HG21      ILE  70   3.362   4.031  -6.641
  520   2HG2  ILE  70          HG22      ILE  70   1.891   4.180  -5.680
  521   3HG2  ILE  70          HG23      ILE  70   2.107   2.797  -6.753
  522   1HD1  ILE  70          HD11      ILE  70   5.885   3.663  -5.119
  523   2HD1  ILE  70          HD12      ILE  70   5.691   5.011  -3.998
  524   3HD1  ILE  70          HD13      ILE  70   4.796   4.992  -5.517
  525    H    SER  71           HN       SER  71  -0.275   1.967  -4.596
  526    HA   SER  71           HA       SER  71  -0.488  -0.659  -5.698
  527   1HB   SER  71          HB2       SER  71  -2.303   0.532  -4.406
  528   2HB   SER  71          HB1       SER  71  -2.550   1.555  -5.820
  529    HG   SER  71           HG       SER  71  -3.044  -1.207  -5.497
  530    H    ASP  72           HN       ASP  72   0.480  -1.028  -7.575
  531    HA   ASP  72           HA       ASP  72  -0.325   0.538  -9.898
  532   1HB   ASP  72          HB2       ASP  72   1.786   1.561  -9.187
  533   2HB   ASP  72          HB1       ASP  72   2.563  -0.021  -9.181
  534    H    GLN  73           HN       GLN  73  -0.262  -0.635 -11.836
  535    HA   GLN  73           HA       GLN  73  -0.048  -3.537 -11.393
  536   1HB   GLN  73          HB2       GLN  73  -1.859  -2.034 -13.292
  537   2HB   GLN  73          HB1       GLN  73  -1.769  -3.782 -13.150
  538   1HG   GLN  73          HG2       GLN  73  -3.670  -3.184 -11.951
  539   2HG   GLN  73          HG1       GLN  73  -2.444  -3.460 -10.719
  540   1HE2  GLN  73          HE21      GLN  73  -3.497  -2.200  -9.216
  541   2HE2  GLN  73          HE22      GLN  73  -3.586  -0.475  -9.331
  542    H    LEU  74           HN       LEU  74   1.787  -1.246 -12.751
  543    HA   LEU  74           HA       LEU  74   2.316  -2.857 -15.149
  544   1HB   LEU  74          HB2       LEU  74   0.894  -1.074 -15.895
  545   2HB   LEU  74          HB1       LEU  74   1.894   0.120 -15.090
  546    HG   LEU  74           HG       LEU  74   3.757  -0.465 -16.643
  547   1HD1  LEU  74          HD11      LEU  74   1.628  -2.079 -18.040
  548   2HD1  LEU  74          HD12      LEU  74   3.059  -2.719 -17.233
  549   3HD1  LEU  74          HD13      LEU  74   3.232  -1.719 -18.675
  550   1HD2  LEU  74          HD21      LEU  74   2.344   1.467 -17.055
  551   2HD2  LEU  74          HD22      LEU  74   1.186   0.457 -17.921
  552   3HD2  LEU  74          HD23      LEU  74   2.806   0.700 -18.575
  553    H    GLU  75           HN       GLU  75   4.249  -3.635 -14.291
  554    HA   GLU  75           HA       GLU  75   6.409  -1.653 -14.256
  555   1HB   GLU  75          HB2       GLU  75   6.648  -3.311 -12.524
  556   2HB   GLU  75          HB1       GLU  75   6.385  -4.621 -13.665
  557   1HG   GLU  75          HG2       GLU  75   8.720  -4.481 -13.056
  558   2HG   GLU  75          HG1       GLU  75   8.509  -4.099 -14.761
  559    H    HIS  76           HN       HIS  76   7.669  -1.350 -15.982
  560    HA   HIS  76           HA       HIS  76   6.805  -2.455 -18.501
  561   1HB   HIS  76          HB2       HIS  76   9.212  -0.705 -17.924
  562   2HB   HIS  76          HB1       HIS  76   8.462  -0.973 -19.494
  563    HD1  HIS  76           HD1      HIS  76   8.014   0.900 -16.285
  564    HD2  HIS  76           HD2      HIS  76   6.149   0.529 -19.979
  565    HE1  HIS  76           HE1      HIS  76   6.342   2.770 -16.385
  566    HE2  HIS  76           HE2      HIS  76   5.128   2.447 -18.568
  567    H    HIS  77           HN       HIS  77   9.818  -2.384 -16.710
  568    HA   HIS  77           HA       HIS  77  10.242  -5.172 -16.859
  569   1HB   HIS  77          HB2       HIS  77  11.013  -4.269 -19.187
  570   2HB   HIS  77          HB1       HIS  77  12.365  -3.579 -18.295
  571    HD1  HIS  77           HD1      HIS  77  10.809  -6.920 -19.133
  572    HD2  HIS  77           HD2      HIS  77  14.377  -5.356 -17.672
  573    HE1  HIS  77           HE1      HIS  77  12.423  -8.846 -19.080
  574    HE2  HIS  77           HE2      HIS  77  14.491  -7.928 -17.977
  575    H    HIS  78           HN       HIS  78  11.877  -5.726 -15.304
  576    HA   HIS  78           HA       HIS  78  11.907  -3.654 -13.314
  577   1HB   HIS  78          HB2       HIS  78  11.416  -6.133 -12.937
  578   2HB   HIS  78          HB1       HIS  78  13.159  -6.374 -13.017
  579    HD1  HIS  78           HD1      HIS  78  10.806  -4.056 -11.107
  580    HD2  HIS  78           HD2      HIS  78  14.269  -6.293 -10.563
  581    HE1  HIS  78           HE1      HIS  78  11.446  -3.739  -8.694
  582    HE2  HIS  78           HE2      HIS  78  13.685  -4.893  -8.470
  583    H    HIS  79           HN       HIS  79  13.716  -3.417 -15.707
  584    HA   HIS  79           HA       HIS  79  16.322  -3.347 -14.429
  585   1HB   HIS  79          HB2       HIS  79  16.222  -3.961 -16.807
  586   2HB   HIS  79          HB1       HIS  79  15.485  -2.408 -17.186
  587    HD1  HIS  79           HD1      HIS  79  18.719  -3.632 -15.553
  588    HD2  HIS  79           HD2      HIS  79  17.298  -0.587 -18.010
  589    HE1  HIS  79           HE1      HIS  79  20.729  -2.245 -16.149
  590    HE2  HIS  79           HE2      HIS  79  19.874  -0.535 -17.796
  591    H    HIS  80           HN       HIS  80  15.357  -1.989 -12.751
  592    HA   HIS  80           HA       HIS  80  15.628   0.853 -13.460
  593   1HB   HIS  80          HB2       HIS  80  13.554  -0.412 -11.655
  594   2HB   HIS  80          HB1       HIS  80  13.920   1.309 -11.627
  595    HD1  HIS  80           HD1      HIS  80  11.454  -0.799 -12.939
  596    HD2  HIS  80           HD2      HIS  80  13.759   2.250 -14.583
  597    HE1  HIS  80           HE1      HIS  80  10.209  -0.029 -14.973
  598    HE2  HIS  80           HE2      HIS  80  11.751   1.622 -16.085
  599    H    HIS  81           HN       HIS  81  17.243  -1.425 -12.252
  600    HA   HIS  81           HA       HIS  81  18.275   0.116  -9.988
  601   1HB   HIS  81          HB2       HIS  81  16.910  -1.630  -8.982
  602   2HB   HIS  81          HB1       HIS  81  17.686  -2.856  -9.977
  603    HD1  HIS  81           HD1      HIS  81  19.745  -3.926  -9.053
  604    HD2  HIS  81           HD2      HIS  81  18.689  -0.481  -6.990
  605    HE1  HIS  81           HE1      HIS  81  21.265  -3.848  -7.057
  606    HE2  HIS  81           HE2      HIS  81  20.743  -1.651  -5.938
  Start of MODEL   15
    1   1H    MET   1          HT1       MET   1   6.661   7.457   8.935
    2   2H    MET   1          HT2       MET   1   7.436   6.688   7.638
    3   3H    MET   1          HT3       MET   1   6.947   8.306   7.490
    4    HA   MET   1           HA       MET   1   8.500   8.946   9.223
    5   1HB   MET   1          HB2       MET   1   8.610   6.898  10.480
    6   2HB   MET   1          HB1       MET   1   9.212   6.012   9.087
    7   1HG   MET   1          HG2       MET   1  11.272   7.361   9.158
    8   2HG   MET   1          HG1       MET   1  10.667   8.164  10.605
    9   1HE   MET   1          HE1       MET   1  13.067   7.452  11.644
   10   2HE   MET   1          HE2       MET   1  13.486   6.516  10.209
   11   3HE   MET   1          HE3       MET   1  13.592   5.778  11.808
   12    H    GLU   2           HN       GLU   2   9.242   6.508   6.727
   13    HA   GLU   2           HA       GLU   2  11.020   8.478   5.471
   14   1HB   GLU   2          HB2       GLU   2  12.384   6.912   6.784
   15   2HB   GLU   2          HB1       GLU   2  11.651   5.556   5.942
   16   1HG   GLU   2          HG2       GLU   2  12.692   6.166   3.895
   17   2HG   GLU   2          HG1       GLU   2  13.245   7.698   4.569
   18    H    ILE   3           HN       ILE   3  10.125   5.107   4.772
   19    HA   ILE   3           HA       ILE   3   9.057   4.105   3.047
   20    HB   ILE   3           HB       ILE   3   7.948   6.825   2.343
   21   1HG1  ILE   3          HG12      ILE   3   6.734   4.647   4.063
   22   2HG1  ILE   3          HG11      ILE   3   7.436   6.138   4.683
   23   1HG2  ILE   3          HG21      ILE   3   7.022   4.042   1.636
   24   2HG2  ILE   3          HG22      ILE   3   7.746   5.216   0.537
   25   3HG2  ILE   3          HG23      ILE   3   6.164   5.534   1.250
   26   1HD1  ILE   3          HD11      ILE   3   5.735   7.428   3.504
   27   2HD1  ILE   3          HD12      ILE   3   5.014   6.259   4.609
   28   3HD1  ILE   3          HD13      ILE   3   5.037   5.934   2.877
   29    H    THR   4           HN       THR   4   9.607   7.244   1.582
   30    HA   THR   4           HA       THR   4  10.791   8.019  -0.150
   31    HB   THR   4           HB       THR   4  13.010   7.204  -0.608
   32    HG1  THR   4           HG1      THR   4  12.034   4.862   0.512
   33   1HG2  THR   4          HG21      THR   4  12.811   8.557   1.353
   34   2HG2  THR   4          HG22      THR   4  13.949   7.256   1.703
   35   3HG2  THR   4          HG23      THR   4  12.298   7.174   2.318
   36    H    CYS   5           HN       CYS   5  10.717   7.989  -2.307
   37    HA   CYS   5           HA       CYS   5   9.558   5.661  -3.582
   38   1HB   CYS   5          HB2       CYS   5   9.850   7.416  -5.603
   39   2HB   CYS   5          HB1       CYS   5   8.473   7.435  -4.504
   40    HA   PRO   6           HA       PRO   6  13.308   3.912  -5.187
   41   1HB   PRO   6          HB2       PRO   6  12.303   3.151  -7.677
   42   2HB   PRO   6          HB1       PRO   6  12.221   2.190  -6.197
   43   1HG   PRO   6          HG2       PRO   6  10.151   3.950  -7.437
   44   2HG   PRO   6          HG1       PRO   6   9.954   2.392  -6.612
   45   1HD   PRO   6          HD2       PRO   6   9.328   4.687  -5.396
   46   2HD   PRO   6          HD1       PRO   6  10.089   3.355  -4.500
   47    H    VAL   7           HN       VAL   7  11.415   6.032  -7.270
   48    HA   VAL   7           HA       VAL   7  13.910   7.202  -8.300
   49    HB   VAL   7           HB       VAL   7  12.549   8.163 -10.133
   50   1HG1  VAL   7          HG11      VAL   7  12.167   6.084 -11.381
   51   2HG1  VAL   7          HG12      VAL   7  12.318   5.167  -9.882
   52   3HG1  VAL   7          HG13      VAL   7  13.701   6.059 -10.514
   53   1HG2  VAL   7          HG21      VAL   7  10.390   8.257  -9.003
   54   2HG2  VAL   7          HG22      VAL   7  10.309   6.495  -8.987
   55   3HG2  VAL   7          HG23      VAL   7  10.260   7.366 -10.520
   56    H    CYS   8           HN       CYS   8  13.755   9.645  -8.549
   57    HA   CYS   8           HA       CYS   8  13.795  11.544  -7.247
   58   1HB   CYS   8          HB2       CYS   8  11.507  12.509  -6.851
   59   2HB   CYS   8          HB1       CYS   8  11.791  11.996  -8.519
   60    H    HIS   9           HN       HIS   9  14.566   9.602  -5.712
   61    HA   HIS   9           HA       HIS   9  13.160   8.571  -3.627
   62   1HB   HIS   9          HB2       HIS   9  15.568   8.141  -4.393
   63   2HB   HIS   9          HB1       HIS   9  16.023   9.450  -3.312
   64    HD1  HIS   9           HD1      HIS   9  16.331   8.866  -0.878
   65    HD2  HIS   9           HD2      HIS   9  14.453   5.850  -3.044
   66    HE1  HIS   9           HE1      HIS   9  16.208   6.894   0.668
   67    HE2  HIS   9           HE2      HIS   9  14.845   5.186  -0.580
   68    H    HIS  10           HN       HIS  10  15.614  10.819  -2.570
   69    HA   HIS  10           HA       HIS  10  15.758  11.741  -0.497
   70   1HB   HIS  10          HB2       HIS  10  14.866  13.515  -2.142
   71   2HB   HIS  10          HB1       HIS  10  13.364  13.380  -1.241
   72    HD1  HIS  10           HD1      HIS  10  13.338  15.536   0.085
   73    HD2  HIS  10           HD2      HIS  10  16.986  13.534   0.322
   74    HE1  HIS  10           HE1      HIS  10  14.718  16.816   1.743
   75    HE2  HIS  10           HE2      HIS  10  16.925  15.608   1.866
   76    H    ALA  11           HN       ALA  11  12.265  12.169  -0.510
   77    HA   ALA  11           HA       ALA  11  11.854  10.091   1.437
   78   1HB   ALA  11          HB1       ALA  11  11.492  12.970   2.260
   79   2HB   ALA  11          HB2       ALA  11  12.750  11.880   2.843
   80   3HB   ALA  11          HB3       ALA  11  11.057  11.552   3.216
   81    H    LEU  12           HN       LEU  12   9.550  10.063   2.194
   82    HA   LEU  12           HA       LEU  12   7.726  11.308   0.255
   83   1HB   LEU  12          HB2       LEU  12   7.685   8.464   1.254
   84   2HB   LEU  12          HB1       LEU  12   6.301   9.225   0.498
   85    HG   LEU  12           HG       LEU  12   8.970   8.638  -0.779
   86   1HD1  LEU  12          HD11      LEU  12   7.473   6.723  -0.576
   87   2HD1  LEU  12          HD12      LEU  12   7.633   7.229  -2.259
   88   3HD1  LEU  12          HD13      LEU  12   6.181   7.641  -1.350
   89   1HD2  LEU  12          HD21      LEU  12   8.036   9.606  -2.814
   90   2HD2  LEU  12          HD22      LEU  12   8.141  10.809  -1.529
   91   3HD2  LEU  12          HD23      LEU  12   6.585  10.082  -1.930
   92    H    GLU  13           HN       GLU  13   5.718  11.900   1.020
   93    HA   GLU  13           HA       GLU  13   5.526  12.049   3.956
   94   1HB   GLU  13          HB2       GLU  13   5.696  14.210   2.721
   95   2HB   GLU  13          HB1       GLU  13   4.208  13.806   1.873
   96   1HG   GLU  13          HG2       GLU  13   3.192  13.594   4.233
   97   2HG   GLU  13          HG1       GLU  13   4.610  14.507   4.749
   98    H    ARG  14           HN       ARG  14   3.627  11.453   4.971
   99    HA   ARG  14           HA       ARG  14   1.821   9.799   3.432
  100   1HB   ARG  14          HB2       ARG  14   2.038  10.462   6.360
  101   2HB   ARG  14          HB1       ARG  14   0.644   9.609   5.713
  102   1HG   ARG  14          HG2       ARG  14   3.503   8.695   5.551
  103   2HG   ARG  14          HG1       ARG  14   2.267   8.069   6.644
  104   1HD   ARG  14          HD2       ARG  14   2.269   7.911   3.633
  105   2HD   ARG  14          HD1       ARG  14   2.513   6.577   4.759
  106    HE   ARG  14           HE       ARG  14  -0.031   8.070   4.560
  107   1HH1  ARG  14          HH11      ARG  14   1.750   5.074   4.864
  108   2HH1  ARG  14          HH12      ARG  14   0.330   4.084   4.924
  109   1HH2  ARG  14          HH21      ARG  14  -1.912   6.778   4.623
  110   2HH2  ARG  14          HH22      ARG  14  -1.760   5.055   4.783
  111    H    ASN  15           HN       ASN  15   0.534  10.966   2.145
  112    HA   ASN  15           HA       ASN  15  -0.792  13.348   3.165
  113   1HB   ASN  15          HB2       ASN  15   0.133  13.188   0.805
  114   2HB   ASN  15          HB1       ASN  15  -1.148  12.031   0.460
  115   1HD2  ASN  15          HD21      ASN  15  -1.472  14.859   2.525
  116   2HD2  ASN  15          HD22      ASN  15  -2.571  15.708   1.497
  117    H    GLY  16           HN       GLY  16  -1.548  11.490   4.761
  118   1HA   GLY  16          HA2       GLY  16  -3.430  10.519   5.666
  119   2HA   GLY  16          HA1       GLY  16  -4.342  11.120   4.287
  120    H    ASP  17           HN       ASP  17  -4.980   9.729   2.787
  121    HA   ASP  17           HA       ASP  17  -4.365   6.917   3.116
  122   1HB   ASP  17          HB2       ASP  17  -6.086   6.543   1.445
  123   2HB   ASP  17          HB1       ASP  17  -6.674   7.721   2.615
  124    H    THR  18           HN       THR  18  -3.110   9.506   1.367
  125    HA   THR  18           HA       THR  18  -2.202   7.796  -0.847
  126    HB   THR  18           HB       THR  18  -2.156  10.818  -0.790
  127    HG1  THR  18           HG1      THR  18  -4.317   9.105  -1.032
  128   1HG2  THR  18          HG21      THR  18  -2.224  10.577  -3.231
  129   2HG2  THR  18          HG22      THR  18  -2.238   8.821  -3.055
  130   3HG2  THR  18          HG23      THR  18  -0.829   9.750  -2.539
  131    H    ALA  19           HN       ALA  19   0.007   8.203  -1.639
  132    HA   ALA  19           HA       ALA  19   1.821   9.070   0.518
  133   1HB   ALA  19          HB1       ALA  19   2.383   7.214  -1.801
  134   2HB   ALA  19          HB2       ALA  19   2.106   6.720  -0.131
  135   3HB   ALA  19          HB3       ALA  19   3.530   7.676  -0.542
  136    H    HIS  20           HN       HIS  20   2.551  11.040   0.193
  137    HA   HIS  20           HA       HIS  20   2.512  12.129  -2.526
  138   1HB   HIS  20          HB2       HIS  20   1.256  13.346  -0.799
  139   2HB   HIS  20          HB1       HIS  20   2.719  13.509   0.162
  140    HD1  HIS  20           HD1      HIS  20   1.314  14.633  -3.187
  141    HD2  HIS  20           HD2      HIS  20   4.179  15.750  -0.370
  142    HE1  HIS  20           HE1      HIS  20   2.174  16.885  -3.933
  143    HE2  HIS  20           HE2      HIS  20   3.811  17.592  -2.144
  144    H    CYS  21           HN       CYS  21   4.317  12.791  -3.555
  145    HA   CYS  21           HA       CYS  21   6.864  12.084  -2.430
  146   1HB   CYS  21          HB2       CYS  21   5.921  13.161  -5.058
  147   2HB   CYS  21          HB1       CYS  21   7.628  13.266  -4.650
  148    H    GLU  22           HN       GLU  22   8.317  13.375  -1.489
  149    HA   GLU  22           HA       GLU  22   7.420  15.934  -0.590
  150   1HB   GLU  22          HB2       GLU  22   8.639  14.464   0.896
  151   2HB   GLU  22          HB1       GLU  22  10.024  14.463  -0.188
  152   1HG   GLU  22          HG2       GLU  22   9.488  17.151   0.394
  153   2HG   GLU  22          HG1       GLU  22   9.373  16.276   1.922
  154    H    THR  23           HN       THR  23  10.312  14.926  -2.456
  155    HA   THR  23           HA       THR  23  10.731  17.737  -3.181
  156    HB   THR  23           HB       THR  23  12.634  16.541  -2.162
  157    HG1  THR  23           HG1      THR  23  13.072  18.178  -3.719
  158   1HG2  THR  23          HG21      THR  23  12.140  14.285  -2.923
  159   2HG2  THR  23          HG22      THR  23  13.772  14.750  -3.397
  160   3HG2  THR  23          HG23      THR  23  12.472  14.754  -4.591
  161    H    CYS  24           HN       CYS  24   8.753  15.779  -4.256
  162    HA   CYS  24           HA       CYS  24   9.380  15.997  -7.094
  163   1HB   CYS  24          HB2       CYS  24   8.220  13.439  -6.726
  164   2HB   CYS  24          HB1       CYS  24   9.858  13.810  -7.266
  165    H    ALA  25           HN       ALA  25   7.563  16.325  -8.345
  166    HA   ALA  25           HA       ALA  25   5.071  16.729  -6.922
  167   1HB   ALA  25          HB1       ALA  25   5.789  18.369  -8.598
  168   2HB   ALA  25          HB2       ALA  25   4.232  17.650  -9.012
  169   3HB   ALA  25          HB3       ALA  25   5.695  17.128  -9.847
  170    H    LYS  26           HN       LYS  26   4.739  14.518  -6.348
  171    HA   LYS  26           HA       LYS  26   3.376  12.989  -8.408
  172   1HB   LYS  26          HB2       LYS  26   5.806  12.330  -8.506
  173   2HB   LYS  26          HB1       LYS  26   5.662  11.767  -6.848
  174   1HG   LYS  26          HG2       LYS  26   5.269   9.799  -7.848
  175   2HG   LYS  26          HG1       LYS  26   3.622  10.426  -7.959
  176   1HD   LYS  26          HD2       LYS  26   4.089   9.675 -10.123
  177   2HD   LYS  26          HD1       LYS  26   4.370  11.417 -10.200
  178   1HE   LYS  26          HE2       LYS  26   6.734  11.116 -10.044
  179   2HE   LYS  26          HE1       LYS  26   6.544   9.393  -9.718
  180   1HZ   LYS  26          HZ1       LYS  26   5.774  10.738 -12.251
  181   2HZ   LYS  26          HZ2       LYS  26   5.687   9.077 -11.936
  182   3HZ   LYS  26          HZ3       LYS  26   7.196   9.852 -12.016
  183    H    ASP  27           HN       ASP  27   1.914  11.505  -7.566
  184    HA   ASP  27           HA       ASP  27   1.857  11.143  -4.653
  185   1HB   ASP  27          HB2       ASP  27  -0.553  11.695  -6.409
  186   2HB   ASP  27          HB1       ASP  27  -0.629  11.225  -4.715
  187    H    PHE  28           HN       PHE  28   1.744   9.050  -4.092
  188    HA   PHE  28           HA       PHE  28   1.219   7.110  -6.246
  189   1HB   PHE  28          HB2       PHE  28   2.772   6.741  -3.679
  190   2HB   PHE  28          HB1       PHE  28   2.530   5.514  -4.915
  191    HD1  PHE  28           HD1      PHE  28   3.251   6.407  -7.372
  192    HD2  PHE  28           HD2      PHE  28   4.792   7.756  -3.643
  193    HE1  PHE  28           HE1      PHE  28   5.319   7.130  -8.492
  194    HE2  PHE  28           HE2      PHE  28   6.856   8.484  -4.756
  195    HZ   PHE  28           HZ       PHE  28   7.123   8.177  -7.179
  196    H    SER  29           HN       SER  29  -0.109   5.355  -5.902
  197    HA   SER  29           HA       SER  29  -1.959   5.521  -3.667
  198   1HB   SER  29          HB2       SER  29  -1.833   3.523  -5.945
  199   2HB   SER  29          HB1       SER  29  -3.185   3.769  -4.838
  200    HG   SER  29           HG       SER  29  -2.903   6.095  -5.749
  201    H    LEU  30           HN       LEU  30  -1.933   4.132  -1.933
  202    HA   LEU  30           HA       LEU  30   0.321   2.252  -1.864
  203   1HB   LEU  30          HB2       LEU  30  -1.170   3.617   0.373
  204   2HB   LEU  30          HB1       LEU  30   0.035   2.367   0.625
  205    HG   LEU  30           HG       LEU  30   0.533   5.057  -0.656
  206   1HD1  LEU  30          HD11      LEU  30   0.144   5.232   1.732
  207   2HD1  LEU  30          HD12      LEU  30   1.846   5.506   1.356
  208   3HD1  LEU  30          HD13      LEU  30   1.330   3.962   2.034
  209   1HD2  LEU  30          HD21      LEU  30   2.433   2.818   0.024
  210   2HD2  LEU  30          HD22      LEU  30   2.895   4.418  -0.556
  211   3HD2  LEU  30          HD23      LEU  30   1.968   3.335  -1.596
  212    H    GLN  31           HN       GLN  31  -0.012   0.150  -1.687
  213    HA   GLN  31           HA       GLN  31  -2.746  -0.786  -1.118
  214   1HB   GLN  31          HB2       GLN  31  -1.858  -1.330  -3.376
  215   2HB   GLN  31          HB1       GLN  31  -0.529  -2.197  -2.621
  216   1HG   GLN  31          HG2       GLN  31  -2.149  -3.740  -1.597
  217   2HG   GLN  31          HG1       GLN  31  -3.451  -2.892  -2.430
  218   1HE2  GLN  31          HE21      GLN  31  -4.076  -4.693  -3.591
  219   2HE2  GLN  31          HE22      GLN  31  -3.133  -5.339  -4.885
  220    H    ALA  32           HN       ALA  32  -2.888  -1.395   0.945
  221    HA   ALA  32           HA       ALA  32  -0.591  -2.331   2.414
  222   1HB   ALA  32          HB1       ALA  32  -3.483  -2.105   3.249
  223   2HB   ALA  32          HB2       ALA  32  -2.232  -0.885   3.498
  224   3HB   ALA  32          HB3       ALA  32  -2.122  -2.441   4.320
  225    H    LEU  33           HN       LEU  33   0.058  -4.310   1.722
  226    HA   LEU  33           HA       LEU  33  -1.980  -6.422   1.483
  227   1HB   LEU  33          HB2       LEU  33  -0.321  -5.755  -0.421
  228   2HB   LEU  33          HB1       LEU  33   0.847  -6.662   0.515
  229    HG   LEU  33           HG       LEU  33  -0.586  -8.673   0.324
  230   1HD1  LEU  33          HD11      LEU  33  -2.222  -6.938  -1.527
  231   2HD1  LEU  33          HD12      LEU  33  -2.740  -7.533   0.050
  232   3HD1  LEU  33          HD13      LEU  33  -2.440  -8.669  -1.265
  233   1HD2  LEU  33          HD21      LEU  33   1.234  -8.295  -1.250
  234   2HD2  LEU  33          HD22      LEU  33   0.159  -7.353  -2.284
  235   3HD2  LEU  33          HD23      LEU  33  -0.131  -9.077  -2.050
  236    H    CYS  34           HN       CYS  34  -1.316  -8.603   2.250
  237    HA   CYS  34           HA       CYS  34   0.232  -8.371   4.711
  238   1HB   CYS  34          HB2       CYS  34  -0.696 -10.750   5.080
  239   2HB   CYS  34          HB1       CYS  34  -1.817  -9.400   5.185
  240    HA   PRO  35           HA       PRO  35   3.587  -9.947   2.324
  241   1HB   PRO  35          HB2       PRO  35   5.505  -9.628   4.176
  242   2HB   PRO  35          HB1       PRO  35   4.737  -8.251   3.377
  243   1HG   PRO  35          HG2       PRO  35   4.211  -9.403   6.089
  244   2HG   PRO  35          HG1       PRO  35   4.331  -7.703   5.598
  245   1HD   PRO  35          HD2       PRO  35   1.955  -9.022   5.958
  246   2HD   PRO  35          HD1       PRO  35   2.159  -7.632   4.876
  247    H    ASP  36           HN       ASP  36   1.975 -11.706   4.480
  248    HA   ASP  36           HA       ASP  36   3.972 -13.870   4.436
  249   1HB   ASP  36          HB2       ASP  36   3.492 -12.911   6.740
  250   2HB   ASP  36          HB1       ASP  36   1.857 -13.545   6.568
  251    H    CYS  37           HN       CYS  37   0.503 -13.403   5.024
  252    HA   CYS  37           HA       CYS  37  -0.106 -15.767   3.429
  253   1HB   CYS  37          HB2       CYS  37  -2.457 -15.261   4.283
  254   2HB   CYS  37          HB1       CYS  37  -1.269 -15.700   5.504
  255    H    ARG  38           HN       ARG  38   0.910 -13.964   1.776
  256    HA   ARG  38           HA       ARG  38  -0.525 -11.746   0.995
  257   1HB   ARG  38          HB2       ARG  38   1.733 -12.019   0.269
  258   2HB   ARG  38          HB1       ARG  38   1.337 -13.485  -0.620
  259   1HG   ARG  38          HG2       ARG  38   0.115 -12.258  -2.249
  260   2HG   ARG  38          HG1       ARG  38   0.203 -10.782  -1.288
  261   1HD   ARG  38          HD2       ARG  38   1.782 -10.775  -3.175
  262   2HD   ARG  38          HD1       ARG  38   2.591 -10.664  -1.614
  263    HE   ARG  38           HE       ARG  38   2.964 -13.157  -1.914
  264   1HH1  ARG  38          HH11      ARG  38   2.642 -10.979  -4.640
  265   2HH1  ARG  38          HH12      ARG  38   3.684 -11.917  -5.670
  266   1HH2  ARG  38          HH21      ARG  38   4.348 -14.372  -3.266
  267   2HH2  ARG  38          HH22      ARG  38   4.663 -13.825  -4.881
  268    H    GLN  39           HN       GLN  39  -2.621 -11.979   0.818
  269    HA   GLN  39           HA       GLN  39  -3.654 -12.972  -1.711
  270   1HB   GLN  39          HB2       GLN  39  -4.723 -13.829   0.997
  271   2HB   GLN  39          HB1       GLN  39  -5.637 -13.981  -0.494
  272   1HG   GLN  39          HG2       GLN  39  -4.009 -15.530  -1.379
  273   2HG   GLN  39          HG1       GLN  39  -2.998 -15.317   0.050
  274   1HE2  GLN  39          HE21      GLN  39  -6.000 -16.620  -1.172
  275   2HE2  GLN  39          HE22      GLN  39  -6.283 -17.708   0.145
  276    HA   PRO  40           HA       PRO  40  -5.975  -9.175  -1.567
  277   1HB   PRO  40          HB2       PRO  40  -8.445 -10.820  -1.911
  278   2HB   PRO  40          HB1       PRO  40  -7.903  -9.404  -2.819
  279   1HG   PRO  40          HG2       PRO  40  -7.679 -11.831  -3.866
  280   2HG   PRO  40          HG1       PRO  40  -6.391 -10.630  -4.084
  281   1HD   PRO  40          HD2       PRO  40  -6.481 -13.007  -2.283
  282   2HD   PRO  40          HD1       PRO  40  -5.108 -12.310  -3.166
  283    H    LEU  41           HN       LEU  41  -6.196  -8.187   0.340
  284    HA   LEU  41           HA       LEU  41  -7.354  -9.491   2.630
  285   1HB   LEU  41          HB2       LEU  41  -6.300  -6.689   2.214
  286   2HB   LEU  41          HB1       LEU  41  -6.971  -7.242   3.733
  287    HG   LEU  41           HG       LEU  41  -5.156  -9.030   3.734
  288   1HD1  LEU  41          HD11      LEU  41  -3.151  -8.541   2.431
  289   2HD1  LEU  41          HD12      LEU  41  -4.017  -7.250   1.594
  290   3HD1  LEU  41          HD13      LEU  41  -4.530  -8.926   1.397
  291   1HD2  LEU  41          HD21      LEU  41  -5.072  -7.065   5.170
  292   2HD2  LEU  41          HD22      LEU  41  -4.326  -6.136   3.871
  293   3HD2  LEU  41          HD23      LEU  41  -3.461  -7.492   4.594
  294    H    GLN  42           HN       GLN  42  -8.856  -7.768   3.967
  295    HA   GLN  42           HA       GLN  42 -11.177  -7.439   2.218
  296   1HB   GLN  42          HB2       GLN  42 -11.499  -8.774   4.253
  297   2HB   GLN  42          HB1       GLN  42 -10.980  -7.413   5.239
  298   1HG   GLN  42          HG2       GLN  42 -12.901  -6.119   4.483
  299   2HG   GLN  42          HG1       GLN  42 -13.415  -7.464   3.467
  300   1HE2  GLN  42          HE21      GLN  42 -15.387  -7.616   4.520
  301   2HE2  GLN  42          HE22      GLN  42 -15.529  -8.265   6.120
  302    H    VAL  43           HN       VAL  43 -12.117  -5.507   1.840
  303    HA   VAL  43           HA       VAL  43 -10.624  -3.128   2.495
  304    HB   VAL  43           HB       VAL  43 -13.283  -3.400   1.074
  305   1HG1  VAL  43          HG11      VAL  43 -12.928  -1.158   1.958
  306   2HG1  VAL  43          HG12      VAL  43 -12.814  -1.162   0.198
  307   3HG1  VAL  43          HG13      VAL  43 -11.348  -1.087   1.176
  308   1HG2  VAL  43          HG21      VAL  43 -10.502  -3.162  -0.070
  309   2HG2  VAL  43          HG22      VAL  43 -12.003  -3.167  -0.995
  310   3HG2  VAL  43          HG23      VAL  43 -11.515  -4.605  -0.098
  311    H    LEU  44           HN       LEU  44 -10.773  -2.800   4.700
  312    HA   LEU  44           HA       LEU  44 -13.376  -2.809   5.978
  313   1HB   LEU  44          HB2       LEU  44 -10.625  -2.183   7.050
  314   2HB   LEU  44          HB1       LEU  44 -12.087  -2.185   8.020
  315    HG   LEU  44           HG       LEU  44 -10.890  -4.573   6.609
  316   1HD1  LEU  44          HD11      LEU  44 -10.479  -5.396   8.866
  317   2HD1  LEU  44          HD12      LEU  44 -11.125  -3.900   9.541
  318   3HD1  LEU  44          HD13      LEU  44  -9.640  -3.871   8.588
  319   1HD2  LEU  44          HD21      LEU  44 -13.314  -4.708   6.626
  320   2HD2  LEU  44          HD22      LEU  44 -13.341  -4.349   8.352
  321   3HD2  LEU  44          HD23      LEU  44 -12.628  -5.856   7.774
  322    H    LYS  45           HN       LYS  45 -14.642  -1.144   5.593
  323    HA   LYS  45           HA       LYS  45 -13.480   1.514   5.254
  324   1HB   LYS  45          HB2       LYS  45 -16.282   0.483   4.787
  325   2HB   LYS  45          HB1       LYS  45 -15.772   2.145   4.517
  326   1HG   LYS  45          HG2       LYS  45 -14.258   1.460   2.783
  327   2HG   LYS  45          HG1       LYS  45 -14.596  -0.243   3.113
  328   1HD   LYS  45          HD2       LYS  45 -16.907   0.060   2.431
  329   2HD   LYS  45          HD1       LYS  45 -16.627   1.785   2.180
  330   1HE   LYS  45          HE2       LYS  45 -15.081   1.316   0.390
  331   2HE   LYS  45          HE1       LYS  45 -15.202  -0.416   0.693
  332   1HZ   LYS  45          HZ1       LYS  45 -16.560   0.312  -1.194
  333   2HZ   LYS  45          HZ2       LYS  45 -17.461   1.313  -0.160
  334   3HZ   LYS  45          HZ3       LYS  45 -17.499  -0.371   0.042
  335    H    ALA  46           HN       ALA  46 -13.028   2.281   7.247
  336    HA   ALA  46           HA       ALA  46 -15.112   2.215   9.302
  337   1HB   ALA  46          HB1       ALA  46 -13.390   3.070  10.810
  338   2HB   ALA  46          HB2       ALA  46 -12.261   3.197   9.461
  339   3HB   ALA  46          HB3       ALA  46 -12.838   1.614   9.982
  340    H    CYS  47           HN       CYS  47 -16.606   3.682   8.744
  341    HA   CYS  47           HA       CYS  47 -17.631   5.648   8.304
  342   1HB   CYS  47          HB2       CYS  47 -15.090   6.932   9.330
  343   2HB   CYS  47          HB1       CYS  47 -16.664   7.705   9.175
  344    HG   CYS  47           HG       CYS  47 -17.734   6.822  11.372
  345    H    GLY  48           HN       GLY  48 -14.408   6.943   7.643
  346   1HA   GLY  48          HA2       GLY  48 -15.034   6.869   4.764
  347   2HA   GLY  48          HA1       GLY  48 -14.488   8.359   5.521
  348    H    ALA  49           HN       ALA  49 -13.021   5.781   7.020
  349    HA   ALA  49           HA       ALA  49 -10.590   6.176   5.410
  350   1HB   ALA  49          HB1       ALA  49 -10.422   6.910   7.746
  351   2HB   ALA  49          HB2       ALA  49  -9.329   5.570   7.398
  352   3HB   ALA  49          HB3       ALA  49 -10.828   5.278   8.279
  353    H    VAL  50           HN       VAL  50  -9.827   4.511   4.288
  354    HA   VAL  50           HA       VAL  50 -11.080   1.894   4.689
  355    HB   VAL  50           HB       VAL  50  -9.521   2.963   2.327
  356   1HG1  VAL  50          HG11      VAL  50 -10.245   0.922   1.167
  357   2HG1  VAL  50          HG12      VAL  50 -10.949   0.326   2.668
  358   3HG1  VAL  50          HG13      VAL  50  -9.206   0.561   2.546
  359   1HG2  VAL  50          HG21      VAL  50 -12.468   2.410   2.673
  360   2HG2  VAL  50          HG22      VAL  50 -11.686   2.900   1.171
  361   3HG2  VAL  50          HG23      VAL  50 -11.709   3.997   2.551
  362    H    ASP  51           HN       ASP  51  -9.984   0.474   5.834
  363    HA   ASP  51           HA       ASP  51  -7.051   0.403   5.593
  364   1HB   ASP  51          HB2       ASP  51  -8.923  -0.363   7.783
  365   2HB   ASP  51          HB1       ASP  51  -7.476  -1.342   7.578
  366    H    TYR  52           HN       TYR  52  -6.240  -1.126   4.331
  367    HA   TYR  52           HA       TYR  52  -7.904  -3.355   3.497
  368   1HB   TYR  52          HB2       TYR  52  -6.152  -1.937   2.084
  369   2HB   TYR  52          HB1       TYR  52  -5.017  -3.113   2.738
  370    HD1  TYR  52           HD2      TYR  52  -8.512  -3.408   1.447
  371    HD2  TYR  52           HD1      TYR  52  -4.457  -4.633   1.094
  372    HE1  TYR  52           HE2      TYR  52  -9.152  -4.982  -0.326
  373    HE2  TYR  52           HE1      TYR  52  -5.078  -6.212  -0.680
  374    HH   TYR  52           HH       TYR  52  -8.212  -6.228  -2.139
  375    H    PHE  53           HN       PHE  53  -8.093  -4.918   4.983
  376    HA   PHE  53           HA       PHE  53  -5.727  -5.783   6.510
  377   1HB   PHE  53          HB2       PHE  53  -7.052  -3.895   7.639
  378   2HB   PHE  53          HB1       PHE  53  -8.336  -5.075   7.843
  379    HD1  PHE  53           HD2      PHE  53  -4.766  -4.461   8.623
  380    HD2  PHE  53           HD1      PHE  53  -8.356  -6.472   9.696
  381    HE1  PHE  53           HE2      PHE  53  -3.718  -5.203  10.718
  382    HE2  PHE  53           HE1      PHE  53  -7.318  -7.214  11.800
  383    HZ   PHE  53           HZ       PHE  53  -4.994  -6.579  12.311
  384    H    CYS  54           HN       CYS  54  -5.767  -7.914   7.077
  385    HA   CYS  54           HA       CYS  54  -7.694  -9.653   5.954
  386   1HB   CYS  54          HB2       CYS  54  -5.732 -10.265   8.172
  387   2HB   CYS  54          HB1       CYS  54  -6.442 -11.400   7.033
  388    H    GLN  55           HN       GLN  55  -9.669 -10.131   6.812
  389    HA   GLN  55           HA       GLN  55  -9.953 -10.383   9.674
  390   1HB   GLN  55          HB2       GLN  55 -10.303  -7.941   9.206
  391   2HB   GLN  55          HB1       GLN  55 -11.677  -8.380   8.201
  392   1HG   GLN  55          HG2       GLN  55 -12.759  -9.399  10.154
  393   2HG   GLN  55          HG1       GLN  55 -11.388  -8.910  11.150
  394   1HE2  GLN  55          HE21      GLN  55 -11.093  -6.730  11.620
  395   2HE2  GLN  55          HE22      GLN  55 -12.363  -5.575  11.432
  396    H    ASN  56           HN       ASN  56 -11.671 -11.641  10.269
  397    HA   ASN  56           HA       ASN  56 -13.252 -13.254  10.084
  398   1HB   ASN  56          HB2       ASN  56 -14.341 -11.279   8.067
  399   2HB   ASN  56          HB1       ASN  56 -15.255 -12.618   8.757
  400   1HD2  ASN  56          HD21      ASN  56 -15.704  -9.726   8.914
  401   2HD2  ASN  56          HD22      ASN  56 -15.748  -9.346  10.603
  402    H    GLY  57           HN       GLY  57 -11.146 -14.190   8.865
  403   1HA   GLY  57          HA2       GLY  57 -11.626 -16.287   7.436
  404   2HA   GLY  57          HA1       GLY  57 -12.006 -15.097   6.198
  405    H    HIS  58           HN       HIS  58 -10.141 -13.301   6.175
  406    HA   HIS  58           HA       HIS  58  -7.865 -14.651   5.154
  407   1HB   HIS  58          HB2       HIS  58  -8.799 -12.284   4.575
  408   2HB   HIS  58          HB1       HIS  58  -7.804 -11.747   5.922
  409    HD2  HIS  58           HD2      HIS  58  -7.431 -11.702   2.341
  410    HE1  HIS  58           HE1      HIS  58  -3.573 -12.880   3.631
  411    HE2  HIS  58           HE2      HIS  58  -4.903 -11.750   1.823
  412    H    GLY  59           HN       GLY  59  -8.020 -12.330   7.902
  413   1HA   GLY  59          HA2       GLY  59  -7.375 -13.952   9.951
  414   2HA   GLY  59          HA1       GLY  59  -5.809 -13.695   9.187
  415    H    LEU  60           HN       LEU  60  -4.681 -12.036   9.835
  416    HA   LEU  60           HA       LEU  60  -5.496  -9.407   9.975
  417   1HB   LEU  60          HB2       LEU  60  -5.382  -8.970  12.433
  418   2HB   LEU  60          HB1       LEU  60  -6.796  -9.877  11.947
  419    HG   LEU  60           HG       LEU  60  -5.353 -11.955  12.661
  420   1HD1  LEU  60          HD11      LEU  60  -4.102  -9.740  14.279
  421   2HD1  LEU  60          HD12      LEU  60  -3.287 -10.743  13.078
  422   3HD1  LEU  60          HD13      LEU  60  -3.898 -11.468  14.565
  423   1HD2  LEU  60          HD21      LEU  60  -6.621 -10.072  14.644
  424   2HD2  LEU  60          HD22      LEU  60  -6.306 -11.788  14.903
  425   3HD2  LEU  60          HD23      LEU  60  -7.461 -11.279  13.671
  426    H    ILE  61           HN       ILE  61  -3.722  -8.029  10.467
  427    HA   ILE  61           HA       ILE  61  -1.191  -9.431  11.010
  428    HB   ILE  61           HB       ILE  61  -1.037  -7.019   9.288
  429   1HG1  ILE  61          HG12      ILE  61  -1.221  -8.716   7.269
  430   2HG1  ILE  61          HG11      ILE  61  -2.293  -9.574   8.370
  431   1HG2  ILE  61          HG21      ILE  61   0.397  -9.669   9.310
  432   2HG2  ILE  61          HG22      ILE  61   0.965  -8.153  10.010
  433   3HG2  ILE  61          HG23      ILE  61   0.792  -8.306   8.262
  434   1HD1  ILE  61          HD11      ILE  61  -2.618  -6.730   7.441
  435   2HD1  ILE  61          HD12      ILE  61  -3.688  -7.575   8.561
  436   3HD1  ILE  61          HD13      ILE  61  -3.546  -8.125   6.891
  437    H    SER  62           HN       SER  62   0.258  -8.290  12.302
  438    HA   SER  62           HA       SER  62  -0.642  -6.123  13.856
  439   1HB   SER  62          HB2       SER  62   1.254  -7.581  14.526
  440   2HB   SER  62          HB1       SER  62   2.213  -6.925  13.201
  441    HG   SER  62           HG       SER  62   1.319  -5.646  15.562
  442    H    LYS  63           HN       LYS  63  -0.656  -3.950  13.437
  443    HA   LYS  63           HA       LYS  63  -0.365  -3.198  10.694
  444   1HB   LYS  63          HB2       LYS  63  -0.901  -1.422  13.078
  445   2HB   LYS  63          HB1       LYS  63  -1.112  -0.980  11.389
  446   1HG   LYS  63          HG2       LYS  63  -2.733  -2.993  11.314
  447   2HG   LYS  63          HG1       LYS  63  -2.734  -2.846  13.070
  448   1HD   LYS  63          HD2       LYS  63  -4.573  -1.568  12.349
  449   2HD   LYS  63          HD1       LYS  63  -3.308  -0.388  12.701
  450   1HE   LYS  63          HE2       LYS  63  -2.752  -0.272  10.322
  451   2HE   LYS  63          HE1       LYS  63  -3.997  -1.467   9.966
  452   1HZ   LYS  63          HZ1       LYS  63  -5.594   0.180  11.023
  453   2HZ   LYS  63          HZ2       LYS  63  -4.976   0.583   9.497
  454   3HZ   LYS  63          HZ3       LYS  63  -4.345   1.322  10.889
  455    H    LYS  64           HN       LYS  64   1.941  -3.775  12.790
  456    HA   LYS  64           HA       LYS  64   3.692  -1.551  12.097
  457   1HB   LYS  64          HB2       LYS  64   4.179  -4.040  13.745
  458   2HB   LYS  64          HB1       LYS  64   5.334  -2.735  13.522
  459   1HG   LYS  64          HG2       LYS  64   3.897  -1.200  14.694
  460   2HG   LYS  64          HG1       LYS  64   2.633  -2.427  14.815
  461   1HD   LYS  64          HD2       LYS  64   3.991  -3.781  16.245
  462   2HD   LYS  64          HD1       LYS  64   5.394  -2.742  15.987
  463   1HE   LYS  64          HE2       LYS  64   2.827  -1.932  17.355
  464   2HE   LYS  64          HE1       LYS  64   4.338  -2.341  18.168
  465   1HZ   LYS  64          HZ1       LYS  64   3.831  -0.035  16.369
  466   2HZ   LYS  64          HZ2       LYS  64   5.380  -0.487  16.897
  467   3HZ   LYS  64          HZ3       LYS  64   4.213   0.012  18.023
  468    H    ARG  65           HN       ARG  65   2.810  -4.631  10.896
  469    HA   ARG  65           HA       ARG  65   5.333  -4.806   9.370
  470   1HB   ARG  65          HB2       ARG  65   3.737  -7.248  10.078
  471   2HB   ARG  65          HB1       ARG  65   5.423  -7.134   9.599
  472   1HG   ARG  65          HG2       ARG  65   5.646  -5.805  11.847
  473   2HG   ARG  65          HG1       ARG  65   4.169  -6.675  12.255
  474   1HD   ARG  65          HD2       ARG  65   6.904  -7.740  11.694
  475   2HD   ARG  65          HD1       ARG  65   5.834  -8.076  13.052
  476    HE   ARG  65           HE       ARG  65   5.286  -9.076  10.331
  477   1HH1  ARG  65          HH11      ARG  65   5.460  -9.564  13.795
  478   2HH1  ARG  65          HH12      ARG  65   5.120 -11.268  13.698
  479   1HH2  ARG  65          HH21      ARG  65   4.834 -11.296  10.194
  480   2HH2  ARG  65          HH22      ARG  65   4.744 -12.250  11.647
  481    H    VAL  66           HN       VAL  66   2.595  -3.675   8.755
  482    HA   VAL  66           HA       VAL  66   1.477  -5.373   6.733
  483    HB   VAL  66           HB       VAL  66   1.095  -2.397   7.138
  484   1HG1  VAL  66          HG11      VAL  66  -0.560  -4.399   5.606
  485   2HG1  VAL  66          HG12      VAL  66   0.442  -3.127   4.908
  486   3HG1  VAL  66          HG13      VAL  66  -0.976  -2.705   5.868
  487   1HG2  VAL  66          HG21      VAL  66  -0.922  -2.979   8.353
  488   2HG2  VAL  66          HG22      VAL  66   0.484  -3.720   9.115
  489   3HG2  VAL  66          HG23      VAL  66  -0.594  -4.696   8.116
  490    H    ASN  67           HN       ASN  67   1.934  -5.449   4.582
  491    HA   ASN  67           HA       ASN  67   4.362  -4.088   3.729
  492   1HB   ASN  67          HB2       ASN  67   4.079  -6.513   3.286
  493   2HB   ASN  67          HB1       ASN  67   2.683  -6.150   2.276
  494   1HD2  ASN  67          HD21      ASN  67   3.596  -7.023   0.439
  495   2HD2  ASN  67          HD22      ASN  67   4.907  -6.274  -0.399
  496    H    PHE  68           HN       PHE  68   3.825  -1.999   3.319
  497    HA   PHE  68           HA       PHE  68   1.539  -1.335   1.686
  498   1HB   PHE  68          HB2       PHE  68   3.770   0.372   2.810
  499   2HB   PHE  68          HB1       PHE  68   2.416   1.004   1.881
  500    HD1  PHE  68           HD1      PHE  68   0.131   0.894   2.800
  501    HD2  PHE  68           HD2      PHE  68   3.539  -0.203   5.100
  502    HE1  PHE  68           HE1      PHE  68  -1.202   1.088   4.858
  503    HE2  PHE  68           HE2      PHE  68   2.212  -0.015   7.163
  504    HZ   PHE  68           HZ       PHE  68  -0.162   0.631   7.044
  505    H    VAL  69           HN       VAL  69   1.638  -1.794  -0.394
  506    HA   VAL  69           HA       VAL  69   4.184  -1.592  -1.815
  507    HB   VAL  69           HB       VAL  69   1.521  -2.617  -2.821
  508   1HG1  VAL  69          HG11      VAL  69   2.859  -3.660  -4.598
  509   2HG1  VAL  69          HG12      VAL  69   4.302  -2.875  -3.958
  510   3HG1  VAL  69          HG13      VAL  69   2.989  -1.901  -4.619
  511   1HG2  VAL  69          HG21      VAL  69   3.892  -4.147  -1.754
  512   2HG2  VAL  69          HG22      VAL  69   2.460  -4.860  -2.499
  513   3HG2  VAL  69          HG23      VAL  69   2.319  -3.986  -0.974
  514    H    ILE  70           HN       ILE  70   4.646   0.003  -3.197
  515    HA   ILE  70           HA       ILE  70   2.806   2.213  -3.463
  516    HB   ILE  70           HB       ILE  70   5.584   1.803  -4.588
  517   1HG1  ILE  70          HG12      ILE  70   4.599   3.466  -2.256
  518   2HG1  ILE  70          HG11      ILE  70   5.485   1.950  -2.127
  519   1HG2  ILE  70          HG21      ILE  70   5.537   4.221  -5.056
  520   2HG2  ILE  70          HG22      ILE  70   3.842   4.262  -4.566
  521   3HG2  ILE  70          HG23      ILE  70   4.326   3.332  -5.983
  522   1HD1  ILE  70          HD11      ILE  70   6.932   3.857  -1.738
  523   2HD1  ILE  70          HD12      ILE  70   6.524   4.507  -3.326
  524   3HD1  ILE  70          HD13      ILE  70   7.414   2.990  -3.196
  525    H    SER  71           HN       SER  71   1.290   2.242  -4.980
  526    HA   SER  71           HA       SER  71   1.782   0.739  -7.464
  527   1HB   SER  71          HB2       SER  71  -0.869   1.469  -6.202
  528   2HB   SER  71          HB1       SER  71  -0.634   0.475  -7.640
  529    HG   SER  71           HG       SER  71   0.601  -0.229  -5.211
  530    H    ASP  72           HN       ASP  72   2.366   2.065  -9.053
  531    HA   ASP  72           HA       ASP  72   0.953   4.622  -9.368
  532   1HB   ASP  72          HB2       ASP  72   3.463   4.615  -9.530
  533   2HB   ASP  72          HB1       ASP  72   3.324   3.571 -10.941
  534    H    GLN  73           HN       GLN  73  -0.797   4.575 -10.620
  535    HA   GLN  73           HA       GLN  73  -1.405   2.183 -12.087
  536   1HB   GLN  73          HB2       GLN  73  -2.964   4.739 -11.693
  537   2HB   GLN  73          HB1       GLN  73  -3.576   3.328 -12.545
  538   1HG   GLN  73          HG2       GLN  73  -3.306   1.994 -10.503
  539   2HG   GLN  73          HG1       GLN  73  -2.746   3.433  -9.655
  540   1HE2  GLN  73          HE21      GLN  73  -4.213   5.042  -9.130
  541   2HE2  GLN  73          HE22      GLN  73  -5.921   4.783  -9.180
  542    H    LEU  74           HN       LEU  74  -2.519   2.480 -14.299
  543    HA   LEU  74           HA       LEU  74  -0.594   3.953 -15.956
  544   1HB   LEU  74          HB2       LEU  74  -0.989   2.331 -17.701
  545   2HB   LEU  74          HB1       LEU  74  -0.536   1.515 -16.219
  546    HG   LEU  74           HG       LEU  74  -3.412   1.760 -17.097
  547   1HD1  LEU  74          HD11      LEU  74  -2.167   0.641 -18.871
  548   2HD1  LEU  74          HD12      LEU  74  -3.198  -0.503 -18.008
  549   3HD1  LEU  74          HD13      LEU  74  -1.465  -0.466 -17.690
  550   1HD2  LEU  74          HD21      LEU  74  -1.998  -0.149 -15.232
  551   2HD2  LEU  74          HD22      LEU  74  -3.714  -0.179 -15.638
  552   3HD2  LEU  74          HD23      LEU  74  -3.043   1.188 -14.749
  553    H    GLU  75           HN       GLU  75  -3.147   4.969 -14.784
  554    HA   GLU  75           HA       GLU  75  -4.840   5.302 -17.110
  555   1HB   GLU  75          HB2       GLU  75  -5.957   6.972 -15.304
  556   2HB   GLU  75          HB1       GLU  75  -6.321   5.259 -15.413
  557   1HG   GLU  75          HG2       GLU  75  -5.975   5.880 -13.120
  558   2HG   GLU  75          HG1       GLU  75  -4.674   4.815 -13.646
  559    H    HIS  76           HN       HIS  76  -2.446   7.142 -15.331
  560    HA   HIS  76           HA       HIS  76  -2.983   9.537 -16.839
  561   1HB   HIS  76          HB2       HIS  76  -0.702  10.260 -15.825
  562   2HB   HIS  76          HB1       HIS  76  -2.105  10.118 -14.782
  563    HD1  HIS  76           HD1      HIS  76  -1.517   9.137 -12.634
  564    HD2  HIS  76           HD2      HIS  76   0.814   7.543 -15.685
  565    HE1  HIS  76           HE1      HIS  76   0.061   7.537 -11.512
  566    HE2  HIS  76           HE2      HIS  76   1.328   6.439 -13.388
  567    H    HIS  77           HN       HIS  77  -2.816   9.015 -18.980
  568    HA   HIS  77           HA       HIS  77  -0.130   9.142 -20.015
  569   1HB   HIS  77          HB2       HIS  77  -0.280   7.176 -21.466
  570   2HB   HIS  77          HB1       HIS  77  -0.401   6.707 -19.777
  571    HD1  HIS  77           HD1      HIS  77  -1.989   6.216 -22.983
  572    HD2  HIS  77           HD2      HIS  77  -3.242   6.207 -19.016
  573    HE1  HIS  77           HE1      HIS  77  -4.174   4.968 -22.958
  574    HE2  HIS  77           HE2      HIS  77  -5.023   5.202 -20.595
  575    H    HIS  78           HN       HIS  78  -0.472  10.977 -21.132
  576    HA   HIS  78           HA       HIS  78  -1.623  10.853 -23.668
  577   1HB   HIS  78          HB2       HIS  78  -3.548  12.382 -23.459
  578   2HB   HIS  78          HB1       HIS  78  -3.805  10.884 -22.579
  579    HD1  HIS  78           HD1      HIS  78  -3.773  14.525 -22.191
  580    HD2  HIS  78           HD2      HIS  78  -3.615  11.195 -19.704
  581    HE1  HIS  78           HE1      HIS  78  -4.327  15.369 -19.882
  582    HE2  HIS  78           HE2      HIS  78  -4.354  13.313 -18.422
  583    H    HIS  79           HN       HIS  79  -1.477  12.852 -24.847
  584    HA   HIS  79           HA       HIS  79  -0.663  14.881 -25.411
  585   1HB   HIS  79          HB2       HIS  79  -1.563  15.971 -23.502
  586   2HB   HIS  79          HB1       HIS  79  -0.374  15.241 -22.429
  587    HD1  HIS  79           HD1      HIS  79   1.401  16.813 -21.739
  588    HD2  HIS  79           HD2      HIS  79  -0.089  17.738 -25.518
  589    HE1  HIS  79           HE1      HIS  79   2.668  18.855 -22.495
  590    HE2  HIS  79           HE2      HIS  79   1.874  19.293 -24.850
  591    H    HIS  80           HN       HIS  80   1.029  14.286 -26.620
  592    HA   HIS  80           HA       HIS  80   3.612  14.662 -25.277
  593   1HB   HIS  80          HB2       HIS  80   3.370  12.280 -26.015
  594   2HB   HIS  80          HB1       HIS  80   3.200  12.852 -27.672
  595    HD1  HIS  80           HD1      HIS  80   5.713  12.152 -25.045
  596    HD2  HIS  80           HD2      HIS  80   5.591  13.969 -28.785
  597    HE1  HIS  80           HE1      HIS  80   8.114  12.444 -25.738
  598    HE2  HIS  80           HE2      HIS  80   8.003  13.753 -27.888
  599    H    HIS  81           HN       HIS  81   3.371  16.854 -25.750
  600    HA   HIS  81           HA       HIS  81   4.416  17.689 -28.249
  601   1HB   HIS  81          HB2       HIS  81   1.997  17.254 -28.847
  602   2HB   HIS  81          HB1       HIS  81   1.552  18.516 -27.703
  603    HD1  HIS  81           HD1      HIS  81   2.252  20.979 -28.349
  604    HD2  HIS  81           HD2      HIS  81   2.876  18.128 -31.307
  605    HE1  HIS  81           HE1      HIS  81   2.580  22.274 -30.476
  606    HE2  HIS  81           HE2      HIS  81   2.771  20.525 -32.280
  Start of MODEL   16
    1   1H    MET   1          HT1       MET   1  14.463   3.112   8.138
    2   2H    MET   1          HT2       MET   1  13.852   1.829   9.064
    3   3H    MET   1          HT3       MET   1  13.268   3.404   9.301
    4    HA   MET   1           HA       MET   1  13.000   1.878   6.791
    5   1HB   MET   1          HB2       MET   1  10.522   1.821   7.520
    6   2HB   MET   1          HB1       MET   1  11.639   0.668   8.232
    7   1HG   MET   1          HG2       MET   1  11.819   2.100  10.221
    8   2HG   MET   1          HG1       MET   1  10.656   3.214   9.505
    9   1HE   MET   1          HE1       MET   1   9.213   3.023  11.749
   10   2HE   MET   1          HE2       MET   1  10.373   1.874  12.414
   11   3HE   MET   1          HE3       MET   1   8.652   1.491  12.418
   12    H    GLU   2           HN       GLU   2  10.734   4.088   8.361
   13    HA   GLU   2           HA       GLU   2   9.688   5.957   7.640
   14   1HB   GLU   2          HB2       GLU   2  12.293   6.545   6.220
   15   2HB   GLU   2          HB1       GLU   2  11.014   7.702   6.557
   16   1HG   GLU   2          HG2       GLU   2  12.846   6.346   8.507
   17   2HG   GLU   2          HG1       GLU   2  12.708   8.068   8.153
   18    H    ILE   3           HN       ILE   3   9.648   7.374   5.301
   19    HA   ILE   3           HA       ILE   3   9.231   5.386   3.181
   20    HB   ILE   3           HB       ILE   3   7.264   6.780   2.408
   21   1HG1  ILE   3          HG12      ILE   3   7.413   7.838   5.242
   22   2HG1  ILE   3          HG11      ILE   3   7.733   8.776   3.787
   23   1HG2  ILE   3          HG21      ILE   3   6.978   4.599   3.423
   24   2HG2  ILE   3          HG22      ILE   3   5.688   5.687   3.936
   25   3HG2  ILE   3          HG23      ILE   3   7.021   5.319   5.033
   26   1HD1  ILE   3          HD11      ILE   3   5.422   8.467   3.077
   27   2HD1  ILE   3          HD12      ILE   3   5.515   9.226   4.666
   28   3HD1  ILE   3          HD13      ILE   3   5.101   7.517   4.529
   29    H    THR   4           HN       THR   4  10.241   5.883   1.357
   30    HA   THR   4           HA       THR   4  10.906   8.684   0.794
   31    HB   THR   4           HB       THR   4  13.142   7.706  -0.129
   32    HG1  THR   4           HG1      THR   4  12.508   5.787   1.885
   33   1HG2  THR   4          HG21      THR   4  14.250   8.082   2.028
   34   2HG2  THR   4          HG22      THR   4  12.685   8.014   2.840
   35   3HG2  THR   4          HG23      THR   4  13.032   9.314   1.699
   36    H    CYS   5           HN       CYS   5  11.472   9.072  -1.466
   37    HA   CYS   5           HA       CYS   5   9.809   7.698  -3.307
   38   1HB   CYS   5          HB2       CYS   5  12.165   9.507  -3.876
   39   2HB   CYS   5          HB1       CYS   5  10.915   9.052  -5.022
   40    HA   PRO   6           HA       PRO   6  12.644   4.260  -3.876
   41   1HB   PRO   6          HB2       PRO   6  11.176   2.982  -5.788
   42   2HB   PRO   6          HB1       PRO   6  10.815   2.892  -4.061
   43   1HG   PRO   6          HG2       PRO   6   9.565   4.609  -6.170
   44   2HG   PRO   6          HG1       PRO   6   8.788   3.707  -4.854
   45   1HD   PRO   6          HD2       PRO   6   9.228   6.364  -4.708
   46   2HD   PRO   6          HD1       PRO   6   9.305   5.313  -3.278
   47    H    VAL   7           HN       VAL   7  11.446   6.371  -6.378
   48    HA   VAL   7           HA       VAL   7  13.636   5.531  -8.149
   49    HB   VAL   7           HB       VAL   7  11.512   5.102  -9.177
   50   1HG1  VAL   7          HG11      VAL   7   9.867   6.871  -9.612
   51   2HG1  VAL   7          HG12      VAL   7  10.840   7.994  -8.661
   52   3HG1  VAL   7          HG13      VAL   7  10.106   6.590  -7.888
   53   1HG2  VAL   7          HG21      VAL   7  13.242   5.911 -10.672
   54   2HG2  VAL   7          HG22      VAL   7  12.748   7.578 -10.375
   55   3HG2  VAL   7          HG23      VAL   7  11.658   6.469 -11.208
   56    H    CYS   8           HN       CYS   8  12.039   8.337  -6.726
   57    HA   CYS   8           HA       CYS   8  13.911  10.126  -8.077
   58   1HB   CYS   8          HB2       CYS   8  12.211  11.654  -6.440
   59   2HB   CYS   8          HB1       CYS   8  12.097  11.432  -8.186
   60    H    HIS   9           HN       HIS   9  13.712   8.478  -5.177
   61    HA   HIS   9           HA       HIS   9  14.557   8.670  -3.098
   62   1HB   HIS   9          HB2       HIS   9  16.531  10.165  -4.732
   63   2HB   HIS   9          HB1       HIS   9  16.616  10.371  -2.984
   64    HD1  HIS   9           HD1      HIS   9  18.700   8.805  -4.889
   65    HD2  HIS   9           HD2      HIS   9  15.861   7.154  -2.336
   66    HE1  HIS   9           HE1      HIS   9  19.536   6.492  -4.343
   67    HE2  HIS   9           HE2      HIS   9  17.907   5.600  -2.631
   68    H    HIS  10           HN       HIS  10  15.466  10.591  -1.479
   69    HA   HIS  10           HA       HIS  10  14.732  12.193  -0.053
   70   1HB   HIS  10          HB2       HIS  10  13.083  13.145  -2.407
   71   2HB   HIS  10          HB1       HIS  10  13.130  13.963  -0.848
   72    HD1  HIS  10           HD1      HIS  10  14.832  13.812  -4.065
   73    HD2  HIS  10           HD2      HIS  10  15.811  14.937  -0.182
   74    HE1  HIS  10           HE1      HIS  10  16.927  15.186  -4.266
   75    HE2  HIS  10           HE2      HIS  10  17.559  15.779  -1.897
   76    H    ALA  11           HN       ALA  11  12.667  12.855   1.143
   77    HA   ALA  11           HA       ALA  11  11.377  10.336   1.679
   78   1HB   ALA  11          HB1       ALA  11  12.199  11.742   3.500
   79   2HB   ALA  11          HB2       ALA  11  10.468  11.432   3.645
   80   3HB   ALA  11          HB3       ALA  11  11.038  12.993   3.055
   81    H    LEU  12           HN       LEU  12   9.041  10.282   2.218
   82    HA   LEU  12           HA       LEU  12   7.451  11.789   0.248
   83   1HB   LEU  12          HB2       LEU  12   7.051   9.005   1.350
   84   2HB   LEU  12          HB1       LEU  12   5.864   9.847   0.373
   85    HG   LEU  12           HG       LEU  12   8.641   9.117  -0.560
   86   1HD1  LEU  12          HD11      LEU  12   5.977   7.824  -1.134
   87   2HD1  LEU  12          HD12      LEU  12   7.298   7.124  -0.198
   88   3HD1  LEU  12          HD13      LEU  12   7.503   7.424  -1.923
   89   1HD2  LEU  12          HD21      LEU  12   7.722  11.083  -1.668
   90   2HD2  LEU  12          HD22      LEU  12   6.244  10.195  -2.037
   91   3HD2  LEU  12          HD23      LEU  12   7.774   9.707  -2.768
   92    H    GLU  13           HN       GLU  13   5.299  12.362   0.884
   93    HA   GLU  13           HA       GLU  13   4.947  12.577   3.799
   94   1HB   GLU  13          HB2       GLU  13   4.914  14.705   2.514
   95   2HB   GLU  13          HB1       GLU  13   3.554  14.097   1.580
   96   1HG   GLU  13          HG2       GLU  13   2.245  13.940   3.677
   97   2HG   GLU  13          HG1       GLU  13   3.597  14.683   4.531
   98    H    ARG  14           HN       ARG  14   3.312  11.485   4.772
   99    HA   ARG  14           HA       ARG  14   1.719   9.711   3.137
  100   1HB   ARG  14          HB2       ARG  14   2.621   8.881   5.257
  101   2HB   ARG  14          HB1       ARG  14   1.739  10.123   6.136
  102   1HG   ARG  14          HG2       ARG  14  -0.373   9.140   5.466
  103   2HG   ARG  14          HG1       ARG  14   0.474   7.934   4.498
  104   1HD   ARG  14          HD2       ARG  14   1.494   7.009   6.499
  105   2HD   ARG  14          HD1       ARG  14   0.731   8.254   7.487
  106    HE   ARG  14           HE       ARG  14  -1.415   7.156   6.419
  107   1HH1  ARG  14          HH11      ARG  14   1.417   5.586   7.779
  108   2HH1  ARG  14          HH12      ARG  14   0.544   4.152   8.225
  109   1HH2  ARG  14          HH21      ARG  14  -2.545   5.276   7.024
  110   2HH2  ARG  14          HH22      ARG  14  -1.697   3.967   7.803
  111    H    ASN  15           HN       ASN  15   0.225  10.783   2.011
  112    HA   ASN  15           HA       ASN  15  -1.400  12.884   3.055
  113   1HB   ASN  15          HB2       ASN  15  -0.966  12.613   0.639
  114   2HB   ASN  15          HB1       ASN  15  -1.818  11.074   0.657
  115   1HD2  ASN  15          HD21      ASN  15  -3.339  11.680  -0.821
  116   2HD2  ASN  15          HD22      ASN  15  -4.572  12.850  -0.481
  117    H    GLY  16           HN       GLY  16  -1.538   9.436   2.948
  118   1HA   GLY  16          HA2       GLY  16  -2.992   8.699   4.974
  119   2HA   GLY  16          HA1       GLY  16  -4.280   9.376   3.982
  120    H    ASP  17           HN       ASP  17  -4.531   8.510   1.819
  121    HA   ASP  17           HA       ASP  17  -4.021   5.628   1.725
  122   1HB   ASP  17          HB2       ASP  17  -5.680   5.590  -0.066
  123   2HB   ASP  17          HB1       ASP  17  -6.325   6.469   1.317
  124    H    THR  18           HN       THR  18  -2.669   8.469   0.680
  125    HA   THR  18           HA       THR  18  -1.258   7.133  -1.516
  126    HB   THR  18           HB       THR  18  -1.244   9.609  -2.485
  127    HG1  THR  18           HG1      THR  18  -3.842   9.510  -1.348
  128   1HG2  THR  18          HG21      THR  18  -3.586   7.724  -2.780
  129   2HG2  THR  18          HG22      THR  18  -2.067   7.632  -3.673
  130   3HG2  THR  18          HG23      THR  18  -3.147   9.008  -3.907
  131    H    ALA  19           HN       ALA  19   0.850   7.952  -1.960
  132    HA   ALA  19           HA       ALA  19   2.052   9.440   0.284
  133   1HB   ALA  19          HB1       ALA  19   3.377   7.535  -1.645
  134   2HB   ALA  19          HB2       ALA  19   2.924   7.169   0.019
  135   3HB   ALA  19          HB3       ALA  19   4.167   8.376  -0.311
  136    H    HIS  20           HN       HIS  20   2.830  11.406  -0.129
  137    HA   HIS  20           HA       HIS  20   2.788  12.294  -2.922
  138   1HB   HIS  20          HB2       HIS  20   1.346  13.498  -1.328
  139   2HB   HIS  20          HB1       HIS  20   2.760  13.914  -0.367
  140    HD1  HIS  20           HD1      HIS  20   1.344  14.528  -3.838
  141    HD2  HIS  20           HD2      HIS  20   3.956  16.243  -1.090
  142    HE1  HIS  20           HE1      HIS  20   1.989  16.762  -4.809
  143    HE2  HIS  20           HE2      HIS  20   3.403  17.855  -3.029
  144    H    CYS  21           HN       CYS  21   4.562  12.925  -3.962
  145    HA   CYS  21           HA       CYS  21   7.144  12.658  -2.729
  146   1HB   CYS  21          HB2       CYS  21   6.213  13.446  -5.480
  147   2HB   CYS  21          HB1       CYS  21   7.909  13.480  -5.027
  148    H    GLU  22           HN       GLU  22   8.524  14.241  -2.054
  149    HA   GLU  22           HA       GLU  22   7.568  16.929  -1.768
  150   1HB   GLU  22          HB2       GLU  22  10.363  15.869  -1.328
  151   2HB   GLU  22          HB1       GLU  22   9.723  17.392  -0.739
  152   1HG   GLU  22          HG2       GLU  22   8.129  16.133   0.664
  153   2HG   GLU  22          HG1       GLU  22   8.892  14.635   0.124
  154    H    THR  23           HN       THR  23  10.364  15.531  -3.488
  155    HA   THR  23           HA       THR  23  10.979  18.087  -4.692
  156    HB   THR  23           HB       THR  23  12.901  16.770  -5.674
  157    HG1  THR  23           HG1      THR  23  13.019  14.661  -5.304
  158   1HG2  THR  23          HG21      THR  23  13.158  18.031  -3.595
  159   2HG2  THR  23          HG22      THR  23  14.080  16.527  -3.543
  160   3HG2  THR  23          HG23      THR  23  12.549  16.652  -2.679
  161    H    CYS  24           HN       CYS  24   8.585  16.291  -5.523
  162    HA   CYS  24           HA       CYS  24   8.921  16.475  -8.360
  163   1HB   CYS  24          HB2       CYS  24   8.437  13.822  -8.367
  164   2HB   CYS  24          HB1       CYS  24  10.054  14.510  -8.479
  165    H    ALA  25           HN       ALA  25   6.998  16.257  -9.475
  166    HA   ALA  25           HA       ALA  25   4.601  16.304  -7.841
  167   1HB   ALA  25          HB1       ALA  25   4.906  16.661 -10.823
  168   2HB   ALA  25          HB2       ALA  25   4.877  17.960  -9.630
  169   3HB   ALA  25          HB3       ALA  25   3.445  16.961  -9.882
  170    H    LYS  26           HN       LYS  26   4.932  14.060  -7.208
  171    HA   LYS  26           HA       LYS  26   3.449  12.288  -8.983
  172   1HB   LYS  26          HB2       LYS  26   6.141  11.611  -7.781
  173   2HB   LYS  26          HB1       LYS  26   5.025  10.395  -8.381
  174   1HG   LYS  26          HG2       LYS  26   5.135  11.416 -10.612
  175   2HG   LYS  26          HG1       LYS  26   6.294  12.595  -9.999
  176   1HD   LYS  26          HD2       LYS  26   7.867  10.811  -9.484
  177   2HD   LYS  26          HD1       LYS  26   6.696   9.603 -10.018
  178   1HE   LYS  26          HE2       LYS  26   6.748  10.559 -12.272
  179   2HE   LYS  26          HE1       LYS  26   7.924  11.756 -11.737
  180   1HZ   LYS  26          HZ1       LYS  26   8.354   8.811 -11.739
  181   2HZ   LYS  26          HZ2       LYS  26   9.491   9.984 -11.282
  182   3HZ   LYS  26          HZ3       LYS  26   8.968   9.894 -12.888
  183    H    ASP  27           HN       ASP  27   1.860  11.367  -7.894
  184    HA   ASP  27           HA       ASP  27   2.196  10.956  -4.996
  185   1HB   ASP  27          HB2       ASP  27  -0.252  11.620  -6.622
  186   2HB   ASP  27          HB1       ASP  27  -0.389  10.861  -5.039
  187    H    PHE  28           HN       PHE  28   2.207   8.932  -4.309
  188    HA   PHE  28           HA       PHE  28   1.672   6.838  -6.295
  189   1HB   PHE  28          HB2       PHE  28   3.204   6.680  -3.692
  190   2HB   PHE  28          HB1       PHE  28   3.052   5.392  -4.879
  191    HD1  PHE  28           HD2      PHE  28   3.769   6.176  -7.350
  192    HD2  PHE  28           HD1      PHE  28   5.144   7.871  -3.698
  193    HE1  PHE  28           HE2      PHE  28   5.772   7.019  -8.503
  194    HE2  PHE  28           HE1      PHE  28   7.148   8.719  -4.844
  195    HZ   PHE  28           HZ       PHE  28   7.463   8.300  -7.248
  196    H    SER  29           HN       SER  29   0.033   5.451  -6.065
  197    HA   SER  29           HA       SER  29  -1.757   5.667  -3.827
  198   1HB   SER  29          HB2       SER  29  -1.707   3.605  -6.048
  199   2HB   SER  29          HB1       SER  29  -3.060   3.951  -4.971
  200    HG   SER  29           HG       SER  29  -2.072   6.148  -6.323
  201    H    LEU  30           HN       LEU  30  -1.649   4.545  -1.974
  202    HA   LEU  30           HA       LEU  30   0.383   2.439  -1.795
  203   1HB   LEU  30          HB2       LEU  30  -0.998   4.036   0.364
  204   2HB   LEU  30          HB1       LEU  30   0.190   2.781   0.656
  205    HG   LEU  30           HG       LEU  30   0.691   5.390  -0.780
  206   1HD1  LEU  30          HD11      LEU  30   2.095   5.898   1.165
  207   2HD1  LEU  30          HD12      LEU  30   1.576   4.393   1.925
  208   3HD1  LEU  30          HD13      LEU  30   0.405   5.675   1.616
  209   1HD2  LEU  30          HD21      LEU  30   3.044   4.708  -0.759
  210   2HD2  LEU  30          HD22      LEU  30   2.054   3.596  -1.705
  211   3HD2  LEU  30          HD23      LEU  30   2.584   3.144  -0.084
  212    H    GLN  31           HN       GLN  31  -0.083   0.420  -1.021
  213    HA   GLN  31           HA       GLN  31  -2.893  -0.164  -0.414
  214   1HB   GLN  31          HB2       GLN  31  -2.417  -0.764  -2.775
  215   2HB   GLN  31          HB1       GLN  31  -1.121  -1.820  -2.228
  216   1HG   GLN  31          HG2       GLN  31  -3.146  -3.068  -2.755
  217   2HG   GLN  31          HG1       GLN  31  -2.715  -3.213  -1.051
  218   1HE2  GLN  31          HE21      GLN  31  -5.003  -1.957  -3.332
  219   2HE2  GLN  31          HE22      GLN  31  -6.199  -1.495  -2.176
  220    H    ALA  32           HN       ALA  32  -3.063  -1.154   1.487
  221    HA   ALA  32           HA       ALA  32  -0.782  -2.273   2.827
  222   1HB   ALA  32          HB1       ALA  32  -3.715  -2.272   3.546
  223   2HB   ALA  32          HB2       ALA  32  -2.473  -1.187   4.163
  224   3HB   ALA  32          HB3       ALA  32  -2.437  -2.899   4.583
  225    H    LEU  33           HN       LEU  33   0.027  -4.099   2.019
  226    HA   LEU  33           HA       LEU  33  -1.852  -6.170   1.093
  227   1HB   LEU  33          HB2       LEU  33  -0.126  -4.990  -0.475
  228   2HB   LEU  33          HB1       LEU  33   1.038  -6.037   0.312
  229    HG   LEU  33           HG       LEU  33  -0.310  -8.002  -0.425
  230   1HD1  LEU  33          HD11      LEU  33  -2.464  -6.907  -0.650
  231   2HD1  LEU  33          HD12      LEU  33  -1.990  -7.645  -2.180
  232   3HD1  LEU  33          HD13      LEU  33  -1.838  -5.903  -1.958
  233   1HD2  LEU  33          HD21      LEU  33   1.642  -7.271  -1.689
  234   2HD2  LEU  33          HD22      LEU  33   0.640  -6.142  -2.602
  235   3HD2  LEU  33          HD23      LEU  33   0.387  -7.879  -2.769
  236    H    CYS  34           HN       CYS  34  -1.251  -8.405   1.487
  237    HA   CYS  34           HA       CYS  34   0.223  -8.678   4.006
  238   1HB   CYS  34          HB2       CYS  34  -2.141  -9.572   3.735
  239   2HB   CYS  34          HB1       CYS  34  -1.478 -10.763   2.625
  240    HA   PRO  35           HA       PRO  35   3.860 -10.242   2.112
  241   1HB   PRO  35          HB2       PRO  35   3.808 -12.295   4.271
  242   2HB   PRO  35          HB1       PRO  35   5.108 -11.199   3.785
  243   1HG   PRO  35          HG2       PRO  35   3.697 -10.711   5.981
  244   2HG   PRO  35          HG1       PRO  35   4.172  -9.385   4.901
  245   1HD   PRO  35          HD2       PRO  35   1.516 -10.716   5.220
  246   2HD   PRO  35          HD1       PRO  35   1.894  -9.007   4.922
  247    H    ASP  36           HN       ASP  36   1.338 -12.604   2.947
  248    HA   ASP  36           HA       ASP  36   2.520 -14.459   0.996
  249   1HB   ASP  36          HB2       ASP  36   1.361 -16.239   2.040
  250   2HB   ASP  36          HB1       ASP  36   2.002 -15.256   3.351
  251    H    CYS  37           HN       CYS  37  -0.376 -12.604   1.656
  252    HA   CYS  37           HA       CYS  37  -1.508 -13.636  -0.851
  253   1HB   CYS  37          HB2       CYS  37  -3.768 -13.113   0.240
  254   2HB   CYS  37          HB1       CYS  37  -2.911 -14.548   0.787
  255    H    ARG  38           HN       ARG  38  -2.282 -12.225  -2.281
  256    HA   ARG  38           HA       ARG  38  -1.728  -9.387  -1.686
  257   1HB   ARG  38          HB2       ARG  38  -1.498 -10.842  -4.328
  258   2HB   ARG  38          HB1       ARG  38  -1.047  -9.170  -4.014
  259   1HG   ARG  38          HG2       ARG  38   0.805  -9.787  -2.732
  260   2HG   ARG  38          HG1       ARG  38   0.222 -11.439  -2.528
  261   1HD   ARG  38          HD2       ARG  38   0.544 -11.810  -4.948
  262   2HD   ARG  38          HD1       ARG  38   1.213 -10.184  -5.083
  263    HE   ARG  38           HE       ARG  38   3.158 -10.901  -4.063
  264   1HH1  ARG  38          HH11      ARG  38   0.737 -13.459  -3.962
  265   2HH1  ARG  38          HH12      ARG  38   1.873 -14.662  -3.431
  266   1HH2  ARG  38          HH21      ARG  38   4.619 -12.505  -3.358
  267   2HH2  ARG  38          HH22      ARG  38   4.057 -14.132  -3.106
  268    H    GLN  39           HN       GLN  39  -4.265 -11.023  -1.540
  269    HA   GLN  39           HA       GLN  39  -5.929  -9.363  -3.260
  270   1HB   GLN  39          HB2       GLN  39  -6.045 -12.380  -3.405
  271   2HB   GLN  39          HB1       GLN  39  -7.141 -11.273  -4.216
  272   1HG   GLN  39          HG2       GLN  39  -5.240 -10.390  -5.512
  273   2HG   GLN  39          HG1       GLN  39  -4.191 -11.575  -4.734
  274   1HE2  GLN  39          HE21      GLN  39  -7.502 -12.207  -5.675
  275   2HE2  GLN  39          HE22      GLN  39  -7.126 -13.337  -6.934
  276    HA   PRO  40           HA       PRO  40  -8.886 -11.786  -0.348
  277   1HB   PRO  40          HB2       PRO  40  -7.251 -13.283   1.560
  278   2HB   PRO  40          HB1       PRO  40  -8.538 -13.853   0.495
  279   1HG   PRO  40          HG2       PRO  40  -5.959 -14.498   0.085
  280   2HG   PRO  40          HG1       PRO  40  -7.094 -14.249  -1.256
  281   1HD   PRO  40          HD2       PRO  40  -5.045 -12.362  -0.136
  282   2HD   PRO  40          HD1       PRO  40  -5.411 -12.744  -1.833
  283    H    LEU  41           HN       LEU  41  -6.946  -9.452   0.389
  284    HA   LEU  41           HA       LEU  41  -7.390  -9.323   3.250
  285   1HB   LEU  41          HB2       LEU  41  -6.162  -7.403   1.287
  286   2HB   LEU  41          HB1       LEU  41  -6.532  -6.921   2.931
  287    HG   LEU  41           HG       LEU  41  -5.087  -8.954   3.622
  288   1HD1  LEU  41          HD11      LEU  41  -4.922  -9.973   1.425
  289   2HD1  LEU  41          HD12      LEU  41  -3.330  -9.528   2.035
  290   3HD1  LEU  41          HD13      LEU  41  -4.110  -8.536   0.805
  291   1HD2  LEU  41          HD21      LEU  41  -3.065  -7.587   3.555
  292   2HD2  LEU  41          HD22      LEU  41  -4.472  -6.623   4.005
  293   3HD2  LEU  41          HD23      LEU  41  -3.821  -6.521   2.370
  294    H    GLN  42           HN       GLN  42  -9.006  -8.294   4.255
  295    HA   GLN  42           HA       GLN  42 -11.250  -7.493   2.620
  296   1HB   GLN  42          HB2       GLN  42 -10.956  -7.702   5.622
  297   2HB   GLN  42          HB1       GLN  42 -12.455  -7.334   4.781
  298   1HG   GLN  42          HG2       GLN  42 -10.884  -9.883   4.464
  299   2HG   GLN  42          HG1       GLN  42 -12.287  -9.681   5.511
  300   1HE2  GLN  42          HE21      GLN  42 -13.516 -11.196   4.456
  301   2HE2  GLN  42          HE22      GLN  42 -14.145 -10.965   2.865
  302    H    VAL  43           HN       VAL  43 -12.162  -5.484   2.536
  303    HA   VAL  43           HA       VAL  43 -10.369  -3.292   3.210
  304    HB   VAL  43           HB       VAL  43 -13.026  -3.137   1.777
  305   1HG1  VAL  43          HG11      VAL  43 -10.675  -1.251   1.862
  306   2HG1  VAL  43          HG12      VAL  43 -12.234  -1.012   2.650
  307   3HG1  VAL  43          HG13      VAL  43 -12.130  -1.034   0.889
  308   1HG2  VAL  43          HG21      VAL  43 -10.271  -3.458   0.590
  309   2HG2  VAL  43          HG22      VAL  43 -11.752  -3.147  -0.315
  310   3HG2  VAL  43          HG23      VAL  43 -11.562  -4.660   0.570
  311    H    LEU  44           HN       LEU  44 -10.532  -2.917   5.376
  312    HA   LEU  44           HA       LEU  44 -13.161  -2.682   6.603
  313   1HB   LEU  44          HB2       LEU  44 -10.472  -2.142   7.863
  314   2HB   LEU  44          HB1       LEU  44 -11.990  -2.443   8.685
  315    HG   LEU  44           HG       LEU  44 -10.336  -4.439   7.141
  316   1HD1  LEU  44          HD11      LEU  44 -10.154  -5.565   9.290
  317   2HD1  LEU  44          HD12      LEU  44 -11.110  -4.289  10.049
  318   3HD1  LEU  44          HD13      LEU  44  -9.520  -3.921   9.378
  319   1HD2  LEU  44          HD21      LEU  44 -12.014  -6.096   7.736
  320   2HD2  LEU  44          HD22      LEU  44 -12.714  -4.829   6.728
  321   3HD2  LEU  44          HD23      LEU  44 -13.014  -4.839   8.466
  322    H    LYS  45           HN       LYS  45 -14.233  -0.810   6.556
  323    HA   LYS  45           HA       LYS  45 -12.719   1.610   5.904
  324   1HB   LYS  45          HB2       LYS  45 -15.692   1.084   5.754
  325   2HB   LYS  45          HB1       LYS  45 -14.901   2.584   5.287
  326   1HG   LYS  45          HG2       LYS  45 -13.558   1.150   3.652
  327   2HG   LYS  45          HG1       LYS  45 -14.765  -0.098   3.960
  328   1HD   LYS  45          HD2       LYS  45 -16.533   1.447   3.268
  329   2HD   LYS  45          HD1       LYS  45 -15.323   2.691   2.953
  330   1HE   LYS  45          HE2       LYS  45 -14.270   1.089   1.317
  331   2HE   LYS  45          HE1       LYS  45 -15.692   0.066   1.520
  332   1HZ   LYS  45          HZ1       LYS  45 -17.057   1.983   0.811
  333   2HZ   LYS  45          HZ2       LYS  45 -15.989   1.452  -0.397
  334   3HZ   LYS  45          HZ3       LYS  45 -15.636   2.853   0.493
  335    H    ALA  46           HN       ALA  46 -12.199   2.894   7.497
  336    HA   ALA  46           HA       ALA  46 -13.863   3.043   9.898
  337   1HB   ALA  46          HB1       ALA  46 -11.189   4.323   9.318
  338   2HB   ALA  46          HB2       ALA  46 -11.440   2.826  10.216
  339   3HB   ALA  46          HB3       ALA  46 -12.041   4.352  10.863
  340    H    CYS  47           HN       CYS  47 -15.621   4.058   8.930
  341    HA   CYS  47           HA       CYS  47 -16.961   5.766   8.328
  342   1HB   CYS  47          HB2       CYS  47 -15.887   7.013  10.171
  343   2HB   CYS  47          HB1       CYS  47 -14.640   7.567   9.058
  344    HG   CYS  47           HG       CYS  47 -16.534   9.627   9.651
  345    H    GLY  48           HN       GLY  48 -13.848   7.154   7.288
  346   1HA   GLY  48          HA2       GLY  48 -14.800   6.918   4.500
  347   2HA   GLY  48          HA1       GLY  48 -14.025   8.376   5.099
  348    H    ALA  49           HN       ALA  49 -12.260   6.414   6.733
  349    HA   ALA  49           HA       ALA  49 -10.199   6.253   4.684
  350   1HB   ALA  49          HB1       ALA  49  -8.685   5.747   6.533
  351   2HB   ALA  49          HB2       ALA  49 -10.053   5.670   7.643
  352   3HB   ALA  49          HB3       ALA  49  -9.630   7.197   6.871
  353    H    VAL  50           HN       VAL  50  -9.139   4.325   4.104
  354    HA   VAL  50           HA       VAL  50 -10.660   1.894   4.760
  355    HB   VAL  50           HB       VAL  50  -9.859   0.989   2.566
  356   1HG1  VAL  50          HG11      VAL  50 -11.468   2.265   1.208
  357   2HG1  VAL  50          HG12      VAL  50 -11.552   3.483   2.481
  358   3HG1  VAL  50          HG13      VAL  50 -12.111   1.840   2.791
  359   1HG2  VAL  50          HG21      VAL  50  -9.035   3.852   2.093
  360   2HG2  VAL  50          HG22      VAL  50  -9.073   2.577   0.874
  361   3HG2  VAL  50          HG23      VAL  50  -7.952   2.467   2.232
  362    H    ASP  51           HN       ASP  51  -9.618   0.142   5.468
  363    HA   ASP  51           HA       ASP  51  -6.676   0.114   5.424
  364   1HB   ASP  51          HB2       ASP  51  -7.670   0.838   7.670
  365   2HB   ASP  51          HB1       ASP  51  -8.322  -0.793   7.795
  366    H    TYR  52           HN       TYR  52  -5.958  -1.734   4.523
  367    HA   TYR  52           HA       TYR  52  -7.860  -3.876   4.062
  368   1HB   TYR  52          HB2       TYR  52  -5.118  -3.289   3.000
  369   2HB   TYR  52          HB1       TYR  52  -5.834  -4.881   2.801
  370    HD1  TYR  52           HD1      TYR  52  -7.018  -1.343   2.427
  371    HD2  TYR  52           HD2      TYR  52  -6.729  -5.232   0.723
  372    HE1  TYR  52           HE1      TYR  52  -8.207  -0.548   0.427
  373    HE2  TYR  52           HE2      TYR  52  -7.916  -4.449  -1.282
  374    HH   TYR  52           HH       TYR  52  -9.396  -2.704  -1.988
  375    H    PHE  53           HN       PHE  53  -8.070  -5.507   5.313
  376    HA   PHE  53           HA       PHE  53  -5.914  -6.496   7.023
  377   1HB   PHE  53          HB2       PHE  53  -7.190  -4.457   8.008
  378   2HB   PHE  53          HB1       PHE  53  -8.514  -5.590   8.228
  379    HD1  PHE  53           HD2      PHE  53  -4.956  -5.027   9.065
  380    HD2  PHE  53           HD1      PHE  53  -8.622  -6.896  10.137
  381    HE1  PHE  53           HE2      PHE  53  -3.993  -5.659  11.236
  382    HE2  PHE  53           HE1      PHE  53  -7.669  -7.526  12.314
  383    HZ   PHE  53           HZ       PHE  53  -5.351  -6.907  12.866
  384    H    CYS  54           HN       CYS  54  -6.065  -8.551   6.288
  385    HA   CYS  54           HA       CYS  54  -8.586  -9.618   5.430
  386   1HB   CYS  54          HB2       CYS  54  -7.176 -11.683   4.922
  387   2HB   CYS  54          HB1       CYS  54  -6.782 -10.216   4.040
  388    H    GLN  55           HN       GLN  55  -9.801  -9.729   7.350
  389    HA   GLN  55           HA       GLN  55  -8.931 -11.406   9.512
  390   1HB   GLN  55          HB2       GLN  55 -11.713 -10.398   8.878
  391   2HB   GLN  55          HB1       GLN  55 -11.195 -11.110  10.400
  392   1HG   GLN  55          HG2       GLN  55  -9.567  -9.225  10.629
  393   2HG   GLN  55          HG1       GLN  55 -10.323  -8.489   9.216
  394   1HE2  GLN  55          HE21      GLN  55 -12.467  -7.751   9.373
  395   2HE2  GLN  55          HE22      GLN  55 -13.181  -7.402  10.911
  396    H    ASN  56           HN       ASN  56 -10.888 -11.736   6.647
  397    HA   ASN  56           HA       ASN  56 -11.120 -14.620   7.165
  398   1HB   ASN  56          HB2       ASN  56 -12.800 -12.809   5.415
  399   2HB   ASN  56          HB1       ASN  56 -12.919 -14.566   5.398
  400   1HD2  ASN  56          HD21      ASN  56 -14.937 -12.596   6.097
  401   2HD2  ASN  56          HD22      ASN  56 -15.417 -12.963   7.720
  402    H    GLY  57           HN       GLY  57  -9.917 -15.923   5.967
  403   1HA   GLY  57          HA2       GLY  57  -8.976 -16.605   3.852
  404   2HA   GLY  57          HA1       GLY  57  -8.855 -14.906   3.406
  405    H    HIS  58           HN       HIS  58  -8.024 -15.141   6.561
  406    HA   HIS  58           HA       HIS  58  -5.384 -16.145   6.482
  407   1HB   HIS  58          HB2       HIS  58  -5.001 -14.139   5.082
  408   2HB   HIS  58          HB1       HIS  58  -5.644 -13.124   6.365
  409    HD2  HIS  58           HD2      HIS  58  -3.931 -13.531   8.865
  410    HE1  HIS  58           HE1      HIS  58  -0.489 -13.816   6.419
  411    HE2  HIS  58           HE2      HIS  58  -1.352 -13.681   8.776
  412    H    GLY  59           HN       GLY  59  -6.766 -13.224   7.934
  413   1HA   GLY  59          HA2       GLY  59  -7.663 -13.532  10.289
  414   2HA   GLY  59          HA1       GLY  59  -6.128 -14.348  10.583
  415    H    LEU  60           HN       LEU  60  -6.872 -12.085  12.039
  416    HA   LEU  60           HA       LEU  60  -6.077  -9.641  10.932
  417   1HB   LEU  60          HB2       LEU  60  -5.678  -9.045  13.435
  418   2HB   LEU  60          HB1       LEU  60  -7.296  -9.382  12.859
  419    HG   LEU  60           HG       LEU  60  -6.866 -11.787  13.721
  420   1HD1  LEU  60          HD11      LEU  60  -4.478 -11.556  14.133
  421   2HD1  LEU  60          HD12      LEU  60  -5.346 -11.921  15.624
  422   3HD1  LEU  60          HD13      LEU  60  -4.795 -10.277  15.305
  423   1HD2  LEU  60          HD21      LEU  60  -7.658 -11.148  15.942
  424   2HD2  LEU  60          HD22      LEU  60  -8.483 -10.240  14.674
  425   3HD2  LEU  60          HD23      LEU  60  -7.207  -9.474  15.621
  426    H    ILE  61           HN       ILE  61  -4.228  -8.688  10.579
  427    HA   ILE  61           HA       ILE  61  -1.736 -10.080  11.280
  428    HB   ILE  61           HB       ILE  61  -1.905  -7.763   9.357
  429   1HG1  ILE  61          HG12      ILE  61  -1.928  -9.679   7.551
  430   2HG1  ILE  61          HG11      ILE  61  -2.736 -10.593   8.820
  431   1HG2  ILE  61          HG21      ILE  61  -0.043 -10.129   9.502
  432   2HG2  ILE  61          HG22      ILE  61   0.303  -8.497  10.074
  433   3HG2  ILE  61          HG23      ILE  61   0.062  -8.795   8.351
  434   1HD1  ILE  61          HD11      ILE  61  -3.661  -7.976   7.658
  435   2HD1  ILE  61          HD12      ILE  61  -4.469  -8.870   8.945
  436   3HD1  ILE  61          HD13      ILE  61  -4.344  -9.569   7.330
  437    H    SER  62           HN       SER  62   0.029  -8.781  12.142
  438    HA   SER  62           HA       SER  62  -0.749  -6.495  13.683
  439   1HB   SER  62          HB2       SER  62   1.131  -7.931  14.391
  440   2HB   SER  62          HB1       SER  62   2.014  -7.506  12.927
  441    HG   SER  62           HG       SER  62   1.118  -5.538  14.763
  442    H    LYS  63           HN       LYS  63  -1.098  -4.496  12.840
  443    HA   LYS  63           HA       LYS  63  -0.366  -3.984  10.124
  444   1HB   LYS  63          HB2       LYS  63  -1.236  -1.615  10.671
  445   2HB   LYS  63          HB1       LYS  63  -2.361  -2.957  10.615
  446   1HG   LYS  63          HG2       LYS  63  -2.948  -1.604  12.460
  447   2HG   LYS  63          HG1       LYS  63  -2.225  -3.075  13.103
  448   1HD   LYS  63          HD2       LYS  63  -0.420  -1.979  13.940
  449   2HD   LYS  63          HD1       LYS  63  -0.412  -0.778  12.645
  450   1HE   LYS  63          HE2       LYS  63  -1.023   0.087  14.934
  451   2HE   LYS  63          HE1       LYS  63  -2.168   0.452  13.646
  452   1HZ   LYS  63          HZ1       LYS  63  -3.237  -0.288  15.714
  453   2HZ   LYS  63          HZ2       LYS  63  -2.466  -1.790  15.576
  454   3HZ   LYS  63          HZ3       LYS  63  -3.597  -1.304  14.407
  455    H    LYS  64           HN       LYS  64   1.561  -4.100  12.656
  456    HA   LYS  64           HA       LYS  64   3.322  -1.942  11.782
  457   1HB   LYS  64          HB2       LYS  64   3.761  -4.110  13.853
  458   2HB   LYS  64          HB1       LYS  64   4.828  -2.746  13.554
  459   1HG   LYS  64          HG2       LYS  64   3.128  -1.203  14.317
  460   2HG   LYS  64          HG1       LYS  64   1.987  -2.532  14.531
  461   1HD   LYS  64          HD2       LYS  64   2.893  -1.985  16.678
  462   2HD   LYS  64          HD1       LYS  64   3.577  -3.533  16.180
  463   1HE   LYS  64          HE2       LYS  64   5.344  -2.234  17.116
  464   2HE   LYS  64          HE1       LYS  64   5.591  -2.290  15.372
  465   1HZ   LYS  64          HZ1       LYS  64   5.952  -0.068  16.211
  466   2HZ   LYS  64          HZ2       LYS  64   4.405  -0.032  16.894
  467   3HZ   LYS  64          HZ3       LYS  64   4.586  -0.081  15.209
  468    H    ARG  65           HN       ARG  65   2.479  -5.009  10.869
  469    HA   ARG  65           HA       ARG  65   5.140  -5.645   9.767
  470   1HB   ARG  65          HB2       ARG  65   2.860  -7.463  10.545
  471   2HB   ARG  65          HB1       ARG  65   4.287  -8.003   9.677
  472   1HG   ARG  65          HG2       ARG  65   4.408  -6.691  12.377
  473   2HG   ARG  65          HG1       ARG  65   4.267  -8.434  12.148
  474   1HD   ARG  65          HD2       ARG  65   6.554  -8.087  12.402
  475   2HD   ARG  65          HD1       ARG  65   6.332  -8.213  10.660
  476    HE   ARG  65           HE       ARG  65   6.302  -5.520  11.736
  477   1HH1  ARG  65          HH11      ARG  65   8.145  -8.054  10.167
  478   2HH1  ARG  65          HH12      ARG  65   9.472  -7.000   9.752
  479   1HH2  ARG  65          HH21      ARG  65   8.030  -4.134  11.161
  480   2HH2  ARG  65          HH22      ARG  65   9.394  -4.775  10.304
  481    H    VAL  66           HN       VAL  66   1.911  -4.839   8.996
  482    HA   VAL  66           HA       VAL  66   1.533  -6.196   6.569
  483    HB   VAL  66           HB       VAL  66  -0.086  -4.423   5.989
  484   1HG1  VAL  66          HG11      VAL  66  -1.607  -4.793   7.871
  485   2HG1  VAL  66          HG12      VAL  66  -0.258  -5.394   8.835
  486   3HG1  VAL  66          HG13      VAL  66  -0.776  -6.276   7.399
  487   1HG2  VAL  66          HG21      VAL  66   0.849  -3.112   8.541
  488   2HG2  VAL  66          HG22      VAL  66  -0.530  -2.606   7.563
  489   3HG2  VAL  66          HG23      VAL  66   1.104  -2.498   6.906
  490    H    ASN  67           HN       ASN  67   1.920  -5.645   4.436
  491    HA   ASN  67           HA       ASN  67   4.175  -3.799   4.126
  492   1HB   ASN  67          HB2       ASN  67   3.197  -6.072   2.402
  493   2HB   ASN  67          HB1       ASN  67   4.430  -4.935   1.871
  494   1HD2  ASN  67          HD21      ASN  67   5.477  -4.730   4.649
  495   2HD2  ASN  67          HD22      ASN  67   6.402  -6.174   4.885
  496    H    PHE  68           HN       PHE  68   3.335  -1.809   3.835
  497    HA   PHE  68           HA       PHE  68   1.217  -1.290   1.975
  498   1HB   PHE  68          HB2       PHE  68   3.108   0.428   3.548
  499   2HB   PHE  68          HB1       PHE  68   2.183   1.135   2.229
  500    HD1  PHE  68           HD2      PHE  68   1.817  -0.754   5.413
  501    HD2  PHE  68           HD1      PHE  68  -0.009   1.805   2.544
  502    HE1  PHE  68           HE2      PHE  68  -0.111  -0.456   6.908
  503    HE2  PHE  68           HE1      PHE  68  -1.941   2.105   4.036
  504    HZ   PHE  68           HZ       PHE  68  -1.994   0.972   6.221
  505    H    VAL  69           HN       VAL  69   1.587  -1.836  -0.066
  506    HA   VAL  69           HA       VAL  69   4.225  -1.324  -1.225
  507    HB   VAL  69           HB       VAL  69   3.472  -2.731  -3.110
  508   1HG1  VAL  69          HG11      VAL  69   4.656  -3.755  -1.251
  509   2HG1  VAL  69          HG12      VAL  69   3.445  -4.864  -1.896
  510   3HG1  VAL  69          HG13      VAL  69   3.133  -3.996  -0.392
  511   1HG2  VAL  69          HG21      VAL  69   1.386  -4.006  -2.926
  512   2HG2  VAL  69          HG22      VAL  69   1.079  -2.271  -3.009
  513   3HG2  VAL  69          HG23      VAL  69   0.971  -3.113  -1.463
  514    H    ILE  70           HN       ILE  70   4.505  -0.175  -3.124
  515    HA   ILE  70           HA       ILE  70   2.535   1.880  -3.632
  516    HB   ILE  70           HB       ILE  70   5.274   1.389  -4.807
  517   1HG1  ILE  70          HG12      ILE  70   4.247   3.490  -2.886
  518   2HG1  ILE  70          HG11      ILE  70   5.246   2.108  -2.454
  519   1HG2  ILE  70          HG21      ILE  70   3.948   2.465  -6.492
  520   2HG2  ILE  70          HG22      ILE  70   5.039   3.661  -5.789
  521   3HG2  ILE  70          HG23      ILE  70   3.338   3.636  -5.327
  522   1HD1  ILE  70          HD11      ILE  70   6.056   4.378  -4.254
  523   2HD1  ILE  70          HD12      ILE  70   7.059   2.993  -3.826
  524   3HD1  ILE  70          HD13      ILE  70   6.560   4.138  -2.582
  525    H    SER  71           HN       SER  71   0.996   1.701  -5.115
  526    HA   SER  71           HA       SER  71   1.021  -0.544  -6.933
  527   1HB   SER  71          HB2       SER  71  -1.036   1.658  -6.656
  528   2HB   SER  71          HB1       SER  71  -1.256   0.103  -7.462
  529    HG   SER  71           HG       SER  71  -0.378  -0.140  -4.883
  530    H    ASP  72           HN       ASP  72   2.891   0.159  -8.185
  531    HA   ASP  72           HA       ASP  72   2.163   2.206 -10.174
  532   1HB   ASP  72          HB2       ASP  72   4.438   2.630 -10.582
  533   2HB   ASP  72          HB1       ASP  72   4.354   2.435  -8.836
  534    H    GLN  73           HN       GLN  73   2.805  -1.130  -9.653
  535    HA   GLN  73           HA       GLN  73   3.025  -1.704 -12.493
  536   1HB   GLN  73          HB2       GLN  73   3.024  -3.509 -10.071
  537   2HB   GLN  73          HB1       GLN  73   3.123  -4.095 -11.723
  538   1HG   GLN  73          HG2       GLN  73   5.121  -2.312 -10.349
  539   2HG   GLN  73          HG1       GLN  73   5.309  -4.032 -10.683
  540   1HE2  GLN  73          HE21      GLN  73   5.473  -0.841 -11.948
  541   2HE2  GLN  73          HE22      GLN  73   6.065  -1.267 -13.523
  542    H    LEU  74           HN       LEU  74   0.904  -0.764 -12.934
  543    HA   LEU  74           HA       LEU  74  -1.302  -2.580 -12.242
  544   1HB   LEU  74          HB2       LEU  74  -1.573  -0.150 -11.724
  545   2HB   LEU  74          HB1       LEU  74  -1.450   0.190 -13.439
  546    HG   LEU  74           HG       LEU  74  -3.496  -1.128 -13.840
  547   1HD1  LEU  74          HD11      LEU  74  -3.591  -1.348 -10.834
  548   2HD1  LEU  74          HD12      LEU  74  -3.330  -2.671 -11.969
  549   3HD1  LEU  74          HD13      LEU  74  -4.876  -1.824 -11.943
  550   1HD2  LEU  74          HD21      LEU  74  -5.064   0.460 -12.833
  551   2HD2  LEU  74          HD22      LEU  74  -3.656   1.278 -13.511
  552   3HD2  LEU  74          HD23      LEU  74  -3.787   1.044 -11.768
  553    H    GLU  75           HN       GLU  75   0.811  -1.633 -14.703
  554    HA   GLU  75           HA       GLU  75  -0.845  -2.399 -16.924
  555   1HB   GLU  75          HB2       GLU  75   2.097  -1.774 -16.668
  556   2HB   GLU  75          HB1       GLU  75   1.368  -2.297 -18.178
  557   1HG   GLU  75          HG2       GLU  75   1.582   0.090 -18.168
  558   2HG   GLU  75          HG1       GLU  75  -0.123  -0.347 -18.111
  559    H    HIS  76           HN       HIS  76  -0.712  -4.278 -18.110
  560    HA   HIS  76           HA       HIS  76  -0.635  -6.529 -18.376
  561   1HB   HIS  76          HB2       HIS  76   1.833  -5.988 -18.610
  562   2HB   HIS  76          HB1       HIS  76   2.017  -6.413 -16.914
  563    HD1  HIS  76           HD1      HIS  76   2.225  -7.827 -20.217
  564    HD2  HIS  76           HD2      HIS  76   1.227  -9.248 -16.438
  565    HE1  HIS  76           HE1      HIS  76   2.430 -10.325 -20.357
  566    HE2  HIS  76           HE2      HIS  76   2.023 -11.143 -18.008
  567    H    HIS  77           HN       HIS  77  -2.409  -6.221 -16.702
  568    HA   HIS  77           HA       HIS  77  -1.936  -6.847 -13.987
  569   1HB   HIS  77          HB2       HIS  77  -4.023  -5.770 -15.099
  570   2HB   HIS  77          HB1       HIS  77  -4.540  -7.428 -15.383
  571    HD1  HIS  77           HD1      HIS  77  -4.836  -4.799 -12.986
  572    HD2  HIS  77           HD2      HIS  77  -4.598  -8.946 -12.777
  573    HE1  HIS  77           HE1      HIS  77  -5.687  -5.411 -10.703
  574    HE2  HIS  77           HE2      HIS  77  -5.712  -7.931 -10.666
  575    H    HIS  78           HN       HIS  78  -1.717  -8.734 -12.975
  576    HA   HIS  78           HA       HIS  78  -0.951 -11.008 -14.377
  577   1HB   HIS  78          HB2       HIS  78  -1.655 -10.517 -11.504
  578   2HB   HIS  78          HB1       HIS  78  -1.273 -12.141 -12.067
  579    HD1  HIS  78           HD1      HIS  78   1.077 -12.736 -11.735
  580    HD2  HIS  78           HD2      HIS  78   0.613  -8.647 -12.349
  581    HE1  HIS  78           HE1      HIS  78   3.389 -11.750 -11.540
  582    HE2  HIS  78           HE2      HIS  78   3.097  -9.280 -11.965
  583    H    HIS  79           HN       HIS  79  -2.196 -12.140 -15.641
  584    HA   HIS  79           HA       HIS  79  -4.198 -13.804 -14.485
  585   1HB   HIS  79          HB2       HIS  79  -6.005 -13.273 -16.104
  586   2HB   HIS  79          HB1       HIS  79  -5.684 -11.945 -15.001
  587    HD1  HIS  79           HD1      HIS  79  -5.722  -9.762 -16.113
  588    HD2  HIS  79           HD2      HIS  79  -4.481 -12.767 -18.708
  589    HE1  HIS  79           HE1      HIS  79  -5.367  -8.639 -18.336
  590    HE2  HIS  79           HE2      HIS  79  -4.806 -10.508 -19.929
  591    H    HIS  80           HN       HIS  80  -4.915 -15.472 -16.159
  592    HA   HIS  80           HA       HIS  80  -2.511 -16.083 -17.706
  593   1HB   HIS  80          HB2       HIS  80  -3.637 -17.723 -16.062
  594   2HB   HIS  80          HB1       HIS  80  -4.844 -17.946 -17.324
  595    HD1  HIS  80           HD1      HIS  80  -1.619 -19.158 -16.201
  596    HD2  HIS  80           HD2      HIS  80  -3.637 -18.931 -19.833
  597    HE1  HIS  80           HE1      HIS  80  -0.440 -20.765 -17.740
  598    HE2  HIS  80           HE2      HIS  80  -1.567 -20.477 -19.976
  599    H    HIS  81           HN       HIS  81  -6.003 -15.751 -18.113
  600    HA   HIS  81           HA       HIS  81  -5.689 -14.839 -20.804
  601   1HB   HIS  81          HB2       HIS  81  -5.494 -17.254 -21.219
  602   2HB   HIS  81          HB1       HIS  81  -7.000 -17.537 -20.357
  603    HD1  HIS  81           HD1      HIS  81  -5.690 -16.000 -23.554
  604    HD2  HIS  81           HD2      HIS  81  -9.279 -17.271 -21.871
  605    HE1  HIS  81           HE1      HIS  81  -7.377 -15.947 -25.421
  606    HE2  HIS  81           HE2      HIS  81  -9.485 -16.911 -24.424
  Start of MODEL   17
    1   1H    MET   1          HT1       MET   1  13.269   1.817   5.707
    2   2H    MET   1          HT2       MET   1  13.028   0.442   4.747
    3   3H    MET   1          HT3       MET   1  11.919   0.832   5.969
    4    HA   MET   1           HA       MET   1  12.481   2.530   3.618
    5   1HB   MET   1          HB2       MET   1  10.302   1.781   2.740
    6   2HB   MET   1          HB1       MET   1  11.451   0.461   2.865
    7   1HG   MET   1          HG2       MET   1  10.364  -0.333   4.880
    8   2HG   MET   1          HG1       MET   1   9.247   1.029   4.836
    9   1HE   MET   1          HE1       MET   1   6.933  -2.002   3.938
   10   2HE   MET   1          HE2       MET   1   7.185  -0.629   5.017
   11   3HE   MET   1          HE3       MET   1   8.288  -2.005   5.068
   12    H    GLU   2           HN       GLU   2  11.988   4.552   4.047
   13    HA   GLU   2           HA       GLU   2   9.981   5.132   6.124
   14   1HB   GLU   2          HB2       GLU   2  12.197   6.882   5.025
   15   2HB   GLU   2          HB1       GLU   2  11.034   7.377   6.243
   16   1HG   GLU   2          HG2       GLU   2  13.001   6.857   7.406
   17   2HG   GLU   2          HG1       GLU   2  11.919   5.493   7.676
   18    H    ILE   3           HN       ILE   3   9.220   4.377   3.530
   19    HA   ILE   3           HA       ILE   3   7.926   4.930   1.757
   20    HB   ILE   3           HB       ILE   3   7.586   7.687   2.952
   21   1HG1  ILE   3          HG12      ILE   3   6.967   5.994   4.634
   22   2HG1  ILE   3          HG11      ILE   3   5.541   6.829   4.027
   23   1HG2  ILE   3          HG21      ILE   3   5.904   6.064   1.053
   24   2HG2  ILE   3          HG22      ILE   3   6.866   7.487   0.651
   25   3HG2  ILE   3          HG23      ILE   3   5.462   7.640   1.709
   26   1HD1  ILE   3          HD11      ILE   3   6.472   4.090   3.186
   27   2HD1  ILE   3          HD12      ILE   3   5.037   4.922   2.587
   28   3HD1  ILE   3          HD13      ILE   3   5.136   4.446   4.282
   29    H    THR   4           HN       THR   4   9.566   4.816   0.266
   30    HA   THR   4           HA       THR   4  10.936   7.337  -0.368
   31    HB   THR   4           HB       THR   4  12.807   5.676  -1.158
   32    HG1  THR   4           HG1      THR   4  12.840   3.754  -0.034
   33   1HG2  THR   4          HG21      THR   4  13.877   5.843   1.039
   34   2HG2  THR   4          HG22      THR   4  12.325   6.263   1.764
   35   3HG2  THR   4          HG23      THR   4  13.084   7.356   0.605
   36    H    CYS   5           HN       CYS   5  10.923   7.954  -2.436
   37    HA   CYS   5           HA       CYS   5   9.476   6.449  -4.401
   38   1HB   CYS   5          HB2       CYS   5   9.353   8.890  -4.368
   39   2HB   CYS   5          HB1       CYS   5  11.090   9.004  -4.603
   40    HA   PRO   6           HA       PRO   6  12.733   3.905  -5.932
   41   1HB   PRO   6          HB2       PRO   6  12.010   3.887  -8.610
   42   2HB   PRO   6          HB1       PRO   6  11.338   2.833  -7.364
   43   1HG   PRO   6          HG2       PRO   6  10.239   5.371  -8.492
   44   2HG   PRO   6          HG1       PRO   6   9.390   3.880  -8.049
   45   1HD   PRO   6          HD2       PRO   6   9.311   6.030  -6.468
   46   2HD   PRO   6          HD1       PRO   6   9.411   4.394  -5.780
   47    H    VAL   7           HN       VAL   7  12.175   7.059  -7.293
   48    HA   VAL   7           HA       VAL   7  14.952   7.072  -8.283
   49    HB   VAL   7           HB       VAL   7  14.265   8.845  -9.885
   50   1HG1  VAL   7          HG11      VAL   7  13.118   7.347 -11.462
   51   2HG1  VAL   7          HG12      VAL   7  12.792   6.224 -10.142
   52   3HG1  VAL   7          HG13      VAL   7  14.454   6.544 -10.638
   53   1HG2  VAL   7          HG21      VAL   7  11.468   8.119  -9.010
   54   2HG2  VAL   7          HG22      VAL   7  11.882   9.161 -10.372
   55   3HG2  VAL   7          HG23      VAL   7  12.280   9.659  -8.728
   56    H    CYS   8           HN       CYS   8  13.124   8.038  -5.829
   57    HA   CYS   8           HA       CYS   8  14.784  10.392  -5.333
   58   1HB   CYS   8          HB2       CYS   8  11.795  10.332  -4.842
   59   2HB   CYS   8          HB1       CYS   8  12.887  11.661  -4.467
   60    H    HIS   9           HN       HIS   9  15.811   8.559  -4.191
   61    HA   HIS   9           HA       HIS   9  14.469   7.399  -1.939
   62   1HB   HIS   9          HB2       HIS   9  17.361   7.320  -2.804
   63   2HB   HIS   9          HB1       HIS   9  16.720   6.426  -1.432
   64    HD1  HIS   9           HD1      HIS   9  17.472   6.029  -4.899
   65    HD2  HIS   9           HD2      HIS   9  14.531   4.584  -2.337
   66    HE1  HIS   9           HE1      HIS   9  16.542   3.978  -6.016
   67    HE2  HIS   9           HE2      HIS   9  15.002   2.969  -4.302
   68    H    HIS  10           HN       HIS  10  13.904   8.963  -0.468
   69    HA   HIS  10           HA       HIS  10  15.897   9.334   1.486
   70   1HB   HIS  10          HB2       HIS  10  15.905  11.758   1.723
   71   2HB   HIS  10          HB1       HIS  10  16.516  11.296   0.146
   72    HD1  HIS  10           HD1      HIS  10  13.892  13.274   1.830
   73    HD2  HIS  10           HD2      HIS  10  14.789  12.004  -2.035
   74    HE1  HIS  10           HE1      HIS  10  12.489  14.699   0.300
   75    HE2  HIS  10           HE2      HIS  10  13.233  14.068  -2.022
   76    H    ALA  11           HN       ALA  11  12.797  10.617   0.432
   77    HA   ALA  11           HA       ALA  11  11.206   9.315   2.284
   78   1HB   ALA  11          HB1       ALA  11  12.339  10.637   4.010
   79   2HB   ALA  11          HB2       ALA  11  10.646  11.107   3.870
   80   3HB   ALA  11          HB3       ALA  11  11.904  12.124   3.168
   81    H    LEU  12           HN       LEU  12   8.981  10.010   2.128
   82    HA   LEU  12           HA       LEU  12   8.529  11.928  -0.060
   83   1HB   LEU  12          HB2       LEU  12   6.811   9.573   0.736
   84   2HB   LEU  12          HB1       LEU  12   6.435  10.717  -0.538
   85    HG   LEU  12           HG       LEU  12   8.658   8.682  -0.498
   86   1HD1  LEU  12          HD11      LEU  12   6.324   9.097  -2.362
   87   2HD1  LEU  12          HD12      LEU  12   6.456   7.842  -1.131
   88   3HD1  LEU  12          HD13      LEU  12   7.558   7.845  -2.507
   89   1HD2  LEU  12          HD21      LEU  12   9.488  10.807  -1.393
   90   2HD2  LEU  12          HD22      LEU  12   8.153  10.832  -2.547
   91   3HD2  LEU  12          HD23      LEU  12   9.373   9.563  -2.636
   92    H    GLU  13           HN       GLU  13   6.126  12.744   0.081
   93    HA   GLU  13           HA       GLU  13   5.872  13.907   2.747
   94   1HB   GLU  13          HB2       GLU  13   5.885  15.403   0.776
   95   2HB   GLU  13          HB1       GLU  13   4.455  14.587   0.162
   96   1HG   GLU  13          HG2       GLU  13   3.259  15.300   2.236
   97   2HG   GLU  13          HG1       GLU  13   4.674  16.272   2.640
   98    H    ARG  14           HN       ARG  14   4.589  12.834   4.137
   99    HA   ARG  14           HA       ARG  14   2.482  11.128   3.172
  100   1HB   ARG  14          HB2       ARG  14   3.717  10.473   5.169
  101   2HB   ARG  14          HB1       ARG  14   3.213  11.945   5.988
  102   1HG   ARG  14          HG2       ARG  14   0.968  11.227   6.115
  103   2HG   ARG  14          HG1       ARG  14   1.252   9.906   4.981
  104   1HD   ARG  14          HD2       ARG  14   1.083   9.221   7.383
  105   2HD   ARG  14          HD1       ARG  14   2.559   8.714   6.566
  106    HE   ARG  14           HE       ARG  14   3.166  11.117   7.765
  107   1HH1  ARG  14          HH11      ARG  14   1.984   8.011   8.843
  108   2HH1  ARG  14          HH12      ARG  14   2.786   8.082  10.383
  109   1HH2  ARG  14          HH21      ARG  14   4.228  11.241   9.767
  110   2HH2  ARG  14          HH22      ARG  14   4.081   9.935  10.912
  111    H    ASN  15           HN       ASN  15   1.030  12.310   2.131
  112    HA   ASN  15           HA       ASN  15  -0.267  14.542   3.544
  113   1HB   ASN  15          HB2       ASN  15   0.770  15.078   1.351
  114   2HB   ASN  15          HB1       ASN  15  -0.266  13.879   0.586
  115   1HD2  ASN  15          HD21      ASN  15  -1.229  15.401  -0.750
  116   2HD2  ASN  15          HD22      ASN  15  -2.344  16.587  -0.161
  117    H    GLY  16           HN       GLY  16  -1.966  13.760   4.632
  118   1HA   GLY  16          HA2       GLY  16  -4.019  12.783   4.999
  119   2HA   GLY  16          HA1       GLY  16  -4.168  12.582   3.258
  120    H    ASP  17           HN       ASP  17  -1.623  11.347   5.333
  121    HA   ASP  17           HA       ASP  17  -0.834   9.270   5.769
  122   1HB   ASP  17          HB2       ASP  17  -3.282   9.051   6.603
  123   2HB   ASP  17          HB1       ASP  17  -3.530   8.086   5.151
  124    H    THR  18           HN       THR  18  -1.362  10.370   2.931
  125    HA   THR  18           HA       THR  18  -0.825   7.881   1.449
  126    HB   THR  18           HB       THR  18  -1.621  10.519   0.211
  127    HG1  THR  18           HG1      THR  18  -3.115   9.399   1.922
  128   1HG2  THR  18          HG21      THR  18  -0.795   8.844  -1.340
  129   2HG2  THR  18          HG22      THR  18  -2.536   9.030  -1.554
  130   3HG2  THR  18          HG23      THR  18  -1.899   7.641  -0.674
  131    H    ALA  19           HN       ALA  19   0.753   8.351  -0.502
  132    HA   ALA  19           HA       ALA  19   2.963   9.928   0.644
  133   1HB   ALA  19          HB1       ALA  19   4.485   8.424  -0.514
  134   2HB   ALA  19          HB2       ALA  19   3.116   7.545  -1.193
  135   3HB   ALA  19          HB3       ALA  19   3.398   7.528   0.548
  136    H    HIS  20           HN       HIS  20   2.874  11.854  -0.320
  137    HA   HIS  20           HA       HIS  20   2.597  11.990  -3.236
  138   1HB   HIS  20          HB2       HIS  20   1.246  13.520  -1.775
  139   2HB   HIS  20          HB1       HIS  20   2.747  14.242  -1.210
  140    HD1  HIS  20           HD1      HIS  20   0.360  14.224  -4.057
  141    HD2  HIS  20           HD2      HIS  20   4.063  15.891  -3.127
  142    HE1  HIS  20           HE1      HIS  20   0.757  16.018  -5.781
  143    HE2  HIS  20           HE2      HIS  20   2.905  17.139  -5.078
  144    H    CYS  21           HN       CYS  21   4.390  12.114  -4.470
  145    HA   CYS  21           HA       CYS  21   6.956  12.403  -3.185
  146   1HB   CYS  21          HB2       CYS  21   6.706  10.853  -5.075
  147   2HB   CYS  21          HB1       CYS  21   6.293  12.200  -6.132
  148    H    GLU  22           HN       GLU  22   8.049  14.178  -2.914
  149    HA   GLU  22           HA       GLU  22   6.988  16.719  -3.358
  150   1HB   GLU  22          HB2       GLU  22   8.641  16.217  -1.613
  151   2HB   GLU  22          HB1       GLU  22   9.854  15.896  -2.843
  152   1HG   GLU  22          HG2       GLU  22   9.649  18.251  -3.585
  153   2HG   GLU  22          HG1       GLU  22   8.566  18.540  -2.223
  154    H    THR  23           HN       THR  23   9.479  14.931  -5.159
  155    HA   THR  23           HA       THR  23   9.890  17.213  -6.901
  156    HB   THR  23           HB       THR  23  11.728  15.873  -7.878
  157    HG1  THR  23           HG1      THR  23  10.450  13.829  -6.921
  158   1HG2  THR  23          HG21      THR  23  13.160  15.884  -5.892
  159   2HG2  THR  23          HG22      THR  23  11.733  16.001  -4.861
  160   3HG2  THR  23          HG23      THR  23  12.145  17.324  -5.951
  161    H    CYS  24           HN       CYS  24   8.539  13.950  -7.125
  162    HA   CYS  24           HA       CYS  24   8.292  14.160 -10.004
  163   1HB   CYS  24          HB2       CYS  24   7.351  12.013  -8.094
  164   2HB   CYS  24          HB1       CYS  24   7.229  11.926  -9.848
  165    H    ALA  25           HN       ALA  25   6.445  14.959  -7.258
  166    HA   ALA  25           HA       ALA  25   4.386  15.845  -6.948
  167   1HB   ALA  25          HB1       ALA  25   5.068  17.336  -8.774
  168   2HB   ALA  25          HB2       ALA  25   3.331  17.030  -8.780
  169   3HB   ALA  25          HB3       ALA  25   4.375  16.209  -9.941
  170    H    LYS  26           HN       LYS  26   4.817  12.943  -7.807
  171    HA   LYS  26           HA       LYS  26   2.154  12.278  -8.797
  172   1HB   LYS  26          HB2       LYS  26   4.549  10.521  -8.214
  173   2HB   LYS  26          HB1       LYS  26   3.029   9.962  -8.894
  174   1HG   LYS  26          HG2       LYS  26   3.384  11.304 -10.879
  175   2HG   LYS  26          HG1       LYS  26   4.867  11.966 -10.188
  176   1HD   LYS  26          HD2       LYS  26   5.843   9.718 -10.150
  177   2HD   LYS  26          HD1       LYS  26   4.361   9.065 -10.847
  178   1HE   LYS  26          HE2       LYS  26   6.113  11.137 -12.163
  179   2HE   LYS  26          HE1       LYS  26   6.173   9.410 -12.506
  180   1HZ   LYS  26          HZ1       LYS  26   3.945   9.483 -13.340
  181   2HZ   LYS  26          HZ2       LYS  26   4.840  10.695 -14.114
  182   3HZ   LYS  26          HZ3       LYS  26   3.758  11.105 -12.873
  183    H    ASP  27           HN       ASP  27   0.722  10.957  -7.638
  184    HA   ASP  27           HA       ASP  27   1.215  10.922  -4.740
  185   1HB   ASP  27          HB2       ASP  27  -1.352  10.984  -6.325
  186   2HB   ASP  27          HB1       ASP  27  -1.313  10.605  -4.605
  187    H    PHE  28           HN       PHE  28   1.853   9.066  -3.998
  188    HA   PHE  28           HA       PHE  28   1.017   6.591  -5.335
  189   1HB   PHE  28          HB2       PHE  28   3.224   7.010  -3.304
  190   2HB   PHE  28          HB1       PHE  28   2.906   5.540  -4.216
  191    HD1  PHE  28           HD1      PHE  28   3.254   5.558  -6.708
  192    HD2  PHE  28           HD2      PHE  28   4.565   8.722  -4.178
  193    HE1  PHE  28           HE1      PHE  28   4.801   6.319  -8.462
  194    HE2  PHE  28           HE2      PHE  28   6.111   9.487  -5.931
  195    HZ   PHE  28           HZ       PHE  28   6.231   8.286  -8.073
  196    H    SER  29           HN       SER  29  -0.514   5.425  -4.381
  197    HA   SER  29           HA       SER  29  -1.441   6.153  -1.749
  198   1HB   SER  29          HB2       SER  29  -3.003   5.631  -3.643
  199   2HB   SER  29          HB1       SER  29  -2.457   3.956  -3.573
  200    HG   SER  29           HG       SER  29  -4.227   3.988  -2.310
  201    H    LEU  30           HN       LEU  30  -1.523   4.780   0.043
  202    HA   LEU  30           HA       LEU  30   0.500   2.662   0.018
  203   1HB   LEU  30          HB2       LEU  30  -0.720   4.300   2.226
  204   2HB   LEU  30          HB1       LEU  30   0.120   2.803   2.571
  205    HG   LEU  30           HG       LEU  30   1.631   4.604   2.957
  206   1HD1  LEU  30          HD11      LEU  30   3.435   4.097   1.380
  207   2HD1  LEU  30          HD12      LEU  30   2.279   3.272   0.334
  208   3HD1  LEU  30          HD13      LEU  30   2.617   2.639   1.945
  209   1HD2  LEU  30          HD21      LEU  30   2.242   6.220   1.231
  210   2HD2  LEU  30          HD22      LEU  30   0.531   6.326   1.649
  211   3HD2  LEU  30          HD23      LEU  30   1.027   5.529   0.156
  212    H    GLN  31           HN       GLN  31  -0.256   0.709  -0.311
  213    HA   GLN  31           HA       GLN  31  -2.932   0.047   0.719
  214   1HB   GLN  31          HB2       GLN  31  -1.413  -1.123  -1.620
  215   2HB   GLN  31          HB1       GLN  31  -2.945  -1.743  -1.019
  216   1HG   GLN  31          HG2       GLN  31  -4.037   0.350  -1.560
  217   2HG   GLN  31          HG1       GLN  31  -2.502   1.032  -2.093
  218   1HE2  GLN  31          HE21      GLN  31  -1.625   0.371  -4.047
  219   2HE2  GLN  31          HE22      GLN  31  -2.551  -0.484  -5.228
  220    H    ALA  32           HN       ALA  32  -3.143  -1.602   2.095
  221    HA   ALA  32           HA       ALA  32  -0.766  -2.733   3.252
  222   1HB   ALA  32          HB1       ALA  32  -2.304  -3.754   4.855
  223   2HB   ALA  32          HB2       ALA  32  -3.678  -3.238   3.877
  224   3HB   ALA  32          HB3       ALA  32  -2.649  -2.037   4.657
  225    H    LEU  33           HN       LEU  33   0.205  -4.211   1.976
  226    HA   LEU  33           HA       LEU  33  -1.440  -6.290   0.732
  227   1HB   LEU  33          HB2       LEU  33   1.290  -5.216   0.211
  228   2HB   LEU  33          HB1       LEU  33   0.967  -6.885  -0.213
  229    HG   LEU  33           HG       LEU  33   0.671  -5.515  -2.160
  230   1HD1  LEU  33          HD11      LEU  33  -1.640  -6.051  -2.751
  231   2HD1  LEU  33          HD12      LEU  33  -1.997  -6.375  -1.055
  232   3HD1  LEU  33          HD13      LEU  33  -0.847  -7.392  -1.924
  233   1HD2  LEU  33          HD21      LEU  33   0.259  -3.375  -1.098
  234   2HD2  LEU  33          HD22      LEU  33  -1.316  -3.933  -0.540
  235   3HD2  LEU  33          HD23      LEU  33  -1.011  -3.738  -2.266
  236    H    CYS  34           HN       CYS  34  -1.173  -8.424   1.122
  237    HA   CYS  34           HA       CYS  34   0.331  -9.122   3.542
  238   1HB   CYS  34          HB2       CYS  34  -2.212  -9.536   3.278
  239   2HB   CYS  34          HB1       CYS  34  -1.753 -10.824   2.173
  240    HA   PRO  35           HA       PRO  35   3.514 -10.597   0.824
  241   1HB   PRO  35          HB2       PRO  35   4.017 -12.447   3.110
  242   2HB   PRO  35          HB1       PRO  35   5.146 -11.413   2.228
  243   1HG   PRO  35          HG2       PRO  35   4.272 -10.712   4.639
  244   2HG   PRO  35          HG1       PRO  35   4.490  -9.501   3.364
  245   1HD   PRO  35          HD2       PRO  35   1.985 -10.687   4.444
  246   2HD   PRO  35          HD1       PRO  35   2.283  -9.056   3.814
  247    H    ASP  36           HN       ASP  36   1.660 -13.047   2.616
  248    HA   ASP  36           HA       ASP  36   2.364 -15.193   0.856
  249   1HB   ASP  36          HB2       ASP  36   0.732 -16.492   2.150
  250   2HB   ASP  36          HB1       ASP  36   1.777 -15.560   3.224
  251    H    CYS  37           HN       CYS  37   0.015 -12.709   0.727
  252    HA   CYS  37           HA       CYS  37  -1.295 -13.983  -1.518
  253   1HB   CYS  37          HB2       CYS  37  -3.581 -13.416  -0.467
  254   2HB   CYS  37          HB1       CYS  37  -2.750 -14.861   0.090
  255    H    ARG  38           HN       ARG  38  -0.460 -12.331  -2.772
  256    HA   ARG  38           HA       ARG  38  -1.040  -9.579  -2.154
  257   1HB   ARG  38          HB2       ARG  38   0.117 -10.892  -4.618
  258   2HB   ARG  38          HB1       ARG  38  -0.134  -9.158  -4.465
  259   1HG   ARG  38          HG2       ARG  38   1.381  -9.096  -2.555
  260   2HG   ARG  38          HG1       ARG  38   1.621 -10.838  -2.686
  261   1HD   ARG  38          HD2       ARG  38   2.343  -8.782  -4.771
  262   2HD   ARG  38          HD1       ARG  38   3.470  -9.620  -3.707
  263    HE   ARG  38           HE       ARG  38   1.981 -10.803  -5.943
  264   1HH1  ARG  38          HH11      ARG  38   4.442 -11.049  -3.459
  265   2HH1  ARG  38          HH12      ARG  38   5.131 -12.504  -4.120
  266   1HH2  ARG  38          HH21      ARG  38   2.868 -12.714  -6.798
  267   2HH2  ARG  38          HH22      ARG  38   4.222 -13.469  -6.000
  268    H    GLN  39           HN       GLN  39  -3.235  -9.678  -1.902
  269    HA   GLN  39           HA       GLN  39  -4.789  -9.388  -4.332
  270   1HB   GLN  39          HB2       GLN  39  -6.457 -11.027  -3.705
  271   2HB   GLN  39          HB1       GLN  39  -4.897 -11.838  -3.722
  272   1HG   GLN  39          HG2       GLN  39  -4.764 -11.634  -1.294
  273   2HG   GLN  39          HG1       GLN  39  -6.327 -10.823  -1.275
  274   1HE2  GLN  39          HE21      GLN  39  -5.551 -13.264   0.054
  275   2HE2  GLN  39          HE22      GLN  39  -6.603 -14.500  -0.533
  276    HA   PRO  40           HA       PRO  40  -7.092  -6.654  -1.534
  277   1HB   PRO  40          HB2       PRO  40  -9.637  -8.012  -2.164
  278   2HB   PRO  40          HB1       PRO  40  -9.184  -6.319  -2.389
  279   1HG   PRO  40          HG2       PRO  40  -9.440  -8.004  -4.466
  280   2HG   PRO  40          HG1       PRO  40  -8.229  -6.709  -4.450
  281   1HD   PRO  40          HD2       PRO  40  -7.884  -9.641  -3.971
  282   2HD   PRO  40          HD1       PRO  40  -6.821  -8.501  -4.824
  283    H    LEU  41           HN       LEU  41  -6.238  -7.530   0.361
  284    HA   LEU  41           HA       LEU  41  -6.742  -9.824   1.716
  285   1HB   LEU  41          HB2       LEU  41  -6.377  -7.006   2.691
  286   2HB   LEU  41          HB1       LEU  41  -6.648  -8.303   3.834
  287    HG   LEU  41           HG       LEU  41  -4.607  -9.438   2.958
  288   1HD1  LEU  41          HD11      LEU  41  -4.510  -8.457   0.745
  289   2HD1  LEU  41          HD12      LEU  41  -3.018  -8.148   1.636
  290   3HD1  LEU  41          HD13      LEU  41  -4.215  -6.866   1.448
  291   1HD2  LEU  41          HD21      LEU  41  -4.206  -6.637   3.999
  292   2HD2  LEU  41          HD22      LEU  41  -3.027  -7.948   4.066
  293   3HD2  LEU  41          HD23      LEU  41  -4.534  -8.070   4.975
  294    H    GLN  42           HN       GLN  42  -8.591  -6.871   2.051
  295    HA   GLN  42           HA       GLN  42 -11.145  -7.776   1.751
  296   1HB   GLN  42          HB2       GLN  42 -10.496  -9.046   3.956
  297   2HB   GLN  42          HB1       GLN  42 -10.671  -7.467   4.709
  298   1HG   GLN  42          HG2       GLN  42 -12.762  -8.281   5.030
  299   2HG   GLN  42          HG1       GLN  42 -12.987  -7.509   3.460
  300   1HE2  GLN  42          HE21      GLN  42 -14.634  -8.833   2.806
  301   2HE2  GLN  42          HE22      GLN  42 -14.410 -10.507   2.436
  302    H    VAL  43           HN       VAL  43 -11.917  -5.829   1.106
  303    HA   VAL  43           HA       VAL  43 -10.384  -3.514   1.875
  304    HB   VAL  43           HB       VAL  43 -12.810  -3.587   0.071
  305   1HG1  VAL  43          HG11      VAL  43 -12.227  -1.358   0.844
  306   2HG1  VAL  43          HG12      VAL  43 -11.867  -1.534  -0.874
  307   3HG1  VAL  43          HG13      VAL  43 -10.562  -1.593   0.312
  308   1HG2  VAL  43          HG21      VAL  43  -9.898  -3.874  -0.658
  309   2HG2  VAL  43          HG22      VAL  43 -11.239  -3.743  -1.796
  310   3HG2  VAL  43          HG23      VAL  43 -11.118  -5.146  -0.734
  311    H    LEU  44           HN       LEU  44 -10.798  -2.971   3.918
  312    HA   LEU  44           HA       LEU  44 -13.556  -2.564   4.792
  313   1HB   LEU  44          HB2       LEU  44 -11.036  -2.237   6.413
  314   2HB   LEU  44          HB1       LEU  44 -12.671  -2.461   7.008
  315    HG   LEU  44           HG       LEU  44 -11.006  -4.537   5.578
  316   1HD1  LEU  44          HD11      LEU  44 -11.919  -4.397   8.442
  317   2HD1  LEU  44          HD12      LEU  44 -10.277  -4.101   7.869
  318   3HD1  LEU  44          HD13      LEU  44 -10.994  -5.705   7.699
  319   1HD2  LEU  44          HD21      LEU  44 -12.830  -6.078   6.099
  320   2HD2  LEU  44          HD22      LEU  44 -13.356  -4.782   5.026
  321   3HD2  LEU  44          HD23      LEU  44 -13.780  -4.735   6.737
  322    H    LYS  45           HN       LYS  45 -14.419  -0.611   4.605
  323    HA   LYS  45           HA       LYS  45 -12.593   1.617   4.047
  324   1HB   LYS  45          HB2       LYS  45 -14.603   2.653   2.938
  325   2HB   LYS  45          HB1       LYS  45 -13.978   1.200   2.168
  326   1HG   LYS  45          HG2       LYS  45 -15.746  -0.100   3.338
  327   2HG   LYS  45          HG1       LYS  45 -16.413   1.426   3.921
  328   1HD   LYS  45          HD2       LYS  45 -17.623   0.721   1.961
  329   2HD   LYS  45          HD1       LYS  45 -16.684   2.164   1.579
  330   1HE   LYS  45          HE2       LYS  45 -16.542   0.525  -0.223
  331   2HE   LYS  45          HE1       LYS  45 -14.968   0.776   0.531
  332   1HZ   LYS  45          HZ1       LYS  45 -15.218  -1.270   1.738
  333   2HZ   LYS  45          HZ2       LYS  45 -15.478  -1.583   0.096
  334   3HZ   LYS  45          HZ3       LYS  45 -16.797  -1.482   1.161
  335    H    ALA  46           HN       ALA  46 -12.607   3.419   5.202
  336    HA   ALA  46           HA       ALA  46 -14.509   3.625   7.441
  337   1HB   ALA  46          HB1       ALA  46 -12.784   5.012   8.518
  338   2HB   ALA  46          HB2       ALA  46 -11.744   4.795   7.110
  339   3HB   ALA  46          HB3       ALA  46 -12.174   3.407   8.109
  340    H    CYS  47           HN       CYS  47 -13.816   6.409   7.938
  341    HA   CYS  47           HA       CYS  47 -15.596   7.657   6.080
  342   1HB   CYS  47          HB2       CYS  47 -13.836   8.942   8.177
  343   2HB   CYS  47          HB1       CYS  47 -15.210   9.689   7.370
  344    HG   CYS  47           HG       CYS  47 -15.296   7.118   9.618
  345    H    GLY  48           HN       GLY  48 -12.155   8.259   6.876
  346   1HA   GLY  48          HA2       GLY  48 -11.835   9.241   4.101
  347   2HA   GLY  48          HA1       GLY  48 -11.099  10.059   5.471
  348    H    ALA  49           HN       ALA  49 -11.334   6.601   4.725
  349    HA   ALA  49           HA       ALA  49  -8.611   6.302   3.989
  350   1HB   ALA  49          HB1       ALA  49  -7.761   5.173   5.968
  351   2HB   ALA  49          HB2       ALA  49  -9.289   5.448   6.805
  352   3HB   ALA  49          HB3       ALA  49  -8.264   6.815   6.372
  353    H    VAL  50           HN       VAL  50  -8.357   4.404   2.977
  354    HA   VAL  50           HA       VAL  50 -10.381   2.320   3.436
  355    HB   VAL  50           HB       VAL  50  -9.691   1.407   1.200
  356   1HG1  VAL  50          HG11      VAL  50 -11.714   2.735   1.441
  357   2HG1  VAL  50          HG12      VAL  50 -10.935   3.078  -0.105
  358   3HG1  VAL  50          HG13      VAL  50 -10.785   4.220   1.232
  359   1HG2  VAL  50          HG21      VAL  50  -7.493   2.434   1.012
  360   2HG2  VAL  50          HG22      VAL  50  -8.226   4.038   0.980
  361   3HG2  VAL  50          HG23      VAL  50  -8.509   2.913  -0.349
  362    H    ASP  51           HN       ASP  51  -9.753   0.402   4.205
  363    HA   ASP  51           HA       ASP  51  -6.858   0.027   4.598
  364   1HB   ASP  51          HB2       ASP  51  -8.008   0.618   6.680
  365   2HB   ASP  51          HB1       ASP  51  -9.126  -0.720   6.454
  366    H    TYR  52           HN       TYR  52  -6.011  -1.989   4.305
  367    HA   TYR  52           HA       TYR  52  -7.842  -4.020   3.227
  368   1HB   TYR  52          HB2       TYR  52  -4.950  -3.440   2.587
  369   2HB   TYR  52          HB1       TYR  52  -5.728  -4.955   2.140
  370    HD1  TYR  52           HD1      TYR  52  -5.969  -1.264   1.694
  371    HD2  TYR  52           HD2      TYR  52  -6.998  -5.107   0.183
  372    HE1  TYR  52           HE1      TYR  52  -6.847  -0.220  -0.353
  373    HE2  TYR  52           HE2      TYR  52  -7.877  -4.074  -1.865
  374    HH   TYR  52           HH       TYR  52  -8.725  -1.959  -2.640
  375    H    PHE  53           HN       PHE  53  -8.328  -5.348   4.799
  376    HA   PHE  53           HA       PHE  53  -6.161  -6.402   6.521
  377   1HB   PHE  53          HB2       PHE  53  -7.457  -4.571   7.649
  378   2HB   PHE  53          HB1       PHE  53  -8.907  -5.546   7.467
  379    HD1  PHE  53           HD1      PHE  53  -5.521  -5.586   8.979
  380    HD2  PHE  53           HD2      PHE  53  -9.512  -7.054   9.109
  381    HE1  PHE  53           HE1      PHE  53  -5.058  -6.642  11.150
  382    HE2  PHE  53           HE2      PHE  53  -9.055  -8.119  11.280
  383    HZ   PHE  53           HZ       PHE  53  -6.825  -7.907  12.303
  384    H    CYS  54           HN       CYS  54  -6.151  -8.578   6.488
  385    HA   CYS  54           HA       CYS  54  -8.024  -9.961   4.881
  386   1HB   CYS  54          HB2       CYS  54  -5.808 -10.878   6.699
  387   2HB   CYS  54          HB1       CYS  54  -6.864 -12.031   5.908
  388    H    GLN  55           HN       GLN  55 -10.042 -10.372   5.461
  389    HA   GLN  55           HA       GLN  55 -10.506 -11.453   8.158
  390   1HB   GLN  55          HB2       GLN  55 -12.433 -10.174   6.211
  391   2HB   GLN  55          HB1       GLN  55 -12.946 -11.026   7.659
  392   1HG   GLN  55          HG2       GLN  55 -11.577  -9.414   8.992
  393   2HG   GLN  55          HG1       GLN  55 -11.311  -8.508   7.503
  394   1HE2  GLN  55          HE21      GLN  55 -14.299 -10.165   8.174
  395   2HE2  GLN  55          HE22      GLN  55 -15.260  -8.748   8.419
  396    H    ASN  56           HN       ASN  56 -11.667 -11.828   4.811
  397    HA   ASN  56           HA       ASN  56 -12.197 -14.663   5.371
  398   1HB   ASN  56          HB2       ASN  56 -14.045 -13.241   4.485
  399   2HB   ASN  56          HB1       ASN  56 -13.096 -12.966   3.030
  400   1HD2  ASN  56          HD21      ASN  56 -13.301 -16.010   4.781
  401   2HD2  ASN  56          HD22      ASN  56 -14.123 -16.877   3.525
  402    H    GLY  57           HN       GLY  57 -10.214 -12.525   3.481
  403   1HA   GLY  57          HA2       GLY  57  -9.504 -14.431   1.469
  404   2HA   GLY  57          HA1       GLY  57  -8.739 -12.876   1.746
  405    H    HIS  58           HN       HIS  58  -8.519 -14.134   4.681
  406    HA   HIS  58           HA       HIS  58  -6.557 -16.139   4.521
  407   1HB   HIS  58          HB2       HIS  58  -5.136 -14.510   3.452
  408   2HB   HIS  58          HB1       HIS  58  -5.514 -13.297   4.660
  409    HD2  HIS  58           HD2      HIS  58  -4.654 -16.356   6.637
  410    HE1  HIS  58           HE1      HIS  58  -0.966 -14.365   6.026
  411    HE2  HIS  58           HE2      HIS  58  -2.218 -16.031   7.431
  412    H    GLY  59           HN       GLY  59  -6.481 -13.162   6.441
  413   1HA   GLY  59          HA2       GLY  59  -7.820 -13.751   8.699
  414   2HA   GLY  59          HA1       GLY  59  -6.359 -14.723   8.866
  415    H    LEU  60           HN       LEU  60  -7.029 -12.622  10.618
  416    HA   LEU  60           HA       LEU  60  -6.068 -10.097   9.912
  417   1HB   LEU  60          HB2       LEU  60  -6.141  -9.537  12.205
  418   2HB   LEU  60          HB1       LEU  60  -7.448 -10.669  11.929
  419    HG   LEU  60           HG       LEU  60  -4.797 -11.486  13.115
  420   1HD1  LEU  60          HD11      LEU  60  -7.339 -10.683  14.518
  421   2HD1  LEU  60          HD12      LEU  60  -5.803  -9.816  14.552
  422   3HD1  LEU  60          HD13      LEU  60  -5.931 -11.415  15.287
  423   1HD2  LEU  60          HD21      LEU  60  -7.510 -12.808  13.111
  424   2HD2  LEU  60          HD22      LEU  60  -6.064 -13.419  13.915
  425   3HD2  LEU  60          HD23      LEU  60  -6.115 -13.303  12.155
  426    H    ILE  61           HN       ILE  61  -4.153  -9.094   9.979
  427    HA   ILE  61           HA       ILE  61  -1.778 -10.673  10.724
  428    HB   ILE  61           HB       ILE  61  -1.908  -8.539   8.577
  429   1HG1  ILE  61          HG12      ILE  61  -3.178 -10.549   7.908
  430   2HG1  ILE  61          HG11      ILE  61  -1.731 -10.326   6.930
  431   1HG2  ILE  61          HG21      ILE  61   0.322  -9.372   7.955
  432   2HG2  ILE  61          HG22      ILE  61   0.280 -10.475   9.332
  433   3HG2  ILE  61          HG23      ILE  61   0.282  -8.732   9.598
  434   1HD1  ILE  61          HD11      ILE  61  -0.585 -12.035   8.243
  435   2HD1  ILE  61          HD12      ILE  61  -2.059 -12.660   7.504
  436   3HD1  ILE  61          HD13      ILE  61  -2.036 -12.255   9.221
  437    H    SER  62           HN       SER  62  -0.337  -9.679  12.096
  438    HA   SER  62           HA       SER  62  -0.910  -7.405  13.567
  439   1HB   SER  62          HB2       SER  62   0.892  -9.090  14.077
  440   2HB   SER  62          HB1       SER  62   1.879  -8.339  12.824
  441    HG   SER  62           HG       SER  62   1.980  -7.664  15.235
  442    H    LYS  63           HN       LYS  63  -1.109  -5.342  12.975
  443    HA   LYS  63           HA       LYS  63  -0.879  -4.698  10.249
  444   1HB   LYS  63          HB2       LYS  63  -2.578  -3.792  11.860
  445   2HB   LYS  63          HB1       LYS  63  -1.321  -2.738  12.495
  446   1HG   LYS  63          HG2       LYS  63  -1.216  -1.477  10.561
  447   2HG   LYS  63          HG1       LYS  63  -1.936  -2.751   9.573
  448   1HD   LYS  63          HD2       LYS  63  -4.054  -2.400  10.917
  449   2HD   LYS  63          HD1       LYS  63  -3.294  -0.939  11.557
  450   1HE   LYS  63          HE2       LYS  63  -3.164   0.042   9.402
  451   2HE   LYS  63          HE1       LYS  63  -3.572  -1.478   8.611
  452   1HZ   LYS  63          HZ1       LYS  63  -5.513  -0.247   8.542
  453   2HZ   LYS  63          HZ2       LYS  63  -5.344   0.334  10.130
  454   3HZ   LYS  63          HZ3       LYS  63  -5.760  -1.290   9.855
  455    H    LYS  64           HN       LYS  64   1.360  -4.261  12.851
  456    HA   LYS  64           HA       LYS  64   2.868  -2.181  11.578
  457   1HB   LYS  64          HB2       LYS  64   3.743  -4.109  13.736
  458   2HB   LYS  64          HB1       LYS  64   4.580  -2.638  13.264
  459   1HG   LYS  64          HG2       LYS  64   2.564  -1.352  13.982
  460   2HG   LYS  64          HG1       LYS  64   1.899  -2.863  14.609
  461   1HD   LYS  64          HD2       LYS  64   3.993  -3.099  15.976
  462   2HD   LYS  64          HD1       LYS  64   4.419  -1.461  15.481
  463   1HE   LYS  64          HE2       LYS  64   3.384  -1.367  17.642
  464   2HE   LYS  64          HE1       LYS  64   2.281  -0.670  16.457
  465   1HZ   LYS  64          HZ1       LYS  64   0.871  -2.484  16.576
  466   2HZ   LYS  64          HZ2       LYS  64   1.370  -2.316  18.186
  467   3HZ   LYS  64          HZ3       LYS  64   2.061  -3.515  17.205
  468    H    ARG  65           HN       ARG  65   2.550  -5.518  11.113
  469    HA   ARG  65           HA       ARG  65   5.199  -5.740   9.855
  470   1HB   ARG  65          HB2       ARG  65   4.598  -7.329  11.707
  471   2HB   ARG  65          HB1       ARG  65   3.320  -7.960  10.682
  472   1HG   ARG  65          HG2       ARG  65   4.914  -8.774   9.089
  473   2HG   ARG  65          HG1       ARG  65   6.240  -7.991   9.952
  474   1HD   ARG  65          HD2       ARG  65   5.809  -9.420  11.894
  475   2HD   ARG  65          HD1       ARG  65   4.491 -10.203  11.023
  476    HE   ARG  65           HE       ARG  65   6.100 -11.179   9.545
  477   1HH1  ARG  65          HH11      ARG  65   7.448  -9.539  12.321
  478   2HH1  ARG  65          HH12      ARG  65   8.976 -10.359  12.241
  479   1HH2  ARG  65          HH21      ARG  65   8.115 -12.260   9.411
  480   2HH2  ARG  65          HH22      ARG  65   9.359 -11.910  10.579
  481    H    VAL  66           HN       VAL  66   2.117  -5.044   9.068
  482    HA   VAL  66           HA       VAL  66   1.813  -6.668   6.707
  483    HB   VAL  66           HB       VAL  66   0.302  -4.166   7.512
  484   1HG1  VAL  66          HG11      VAL  66  -0.327  -6.276   5.450
  485   2HG1  VAL  66          HG12      VAL  66   0.100  -4.592   5.138
  486   3HG1  VAL  66          HG13      VAL  66  -1.417  -4.984   5.948
  487   1HG2  VAL  66          HG21      VAL  66  -1.450  -5.696   8.267
  488   2HG2  VAL  66          HG22      VAL  66   0.051  -5.934   9.163
  489   3HG2  VAL  66          HG23      VAL  66  -0.408  -7.068   7.893
  490    H    ASN  67           HN       ASN  67   2.211  -6.060   4.589
  491    HA   ASN  67           HA       ASN  67   4.252  -4.053   4.303
  492   1HB   ASN  67          HB2       ASN  67   3.041  -6.071   2.439
  493   2HB   ASN  67          HB1       ASN  67   4.059  -4.776   1.812
  494   1HD2  ASN  67          HD21      ASN  67   6.234  -4.730   2.342
  495   2HD2  ASN  67          HD22      ASN  67   7.056  -6.113   2.976
  496    H    PHE  68           HN       PHE  68   3.044  -2.149   4.805
  497    HA   PHE  68           HA       PHE  68   1.108  -1.206   2.908
  498   1HB   PHE  68          HB2       PHE  68   2.674   0.098   5.122
  499   2HB   PHE  68          HB1       PHE  68   1.736   1.066   3.990
  500    HD1  PHE  68           HD1      PHE  68   1.527  -1.556   6.578
  501    HD2  PHE  68           HD2      PHE  68  -0.603   1.216   4.150
  502    HE1  PHE  68           HE1      PHE  68  -0.496  -1.941   7.921
  503    HE2  PHE  68           HE2      PHE  68  -2.632   0.834   5.487
  504    HZ   PHE  68           HZ       PHE  68  -2.579  -0.746   7.375
  505    H    VAL  69           HN       VAL  69   1.856  -1.242   0.883
  506    HA   VAL  69           HA       VAL  69   4.386   0.170   0.366
  507    HB   VAL  69           HB       VAL  69   4.659  -1.259  -1.643
  508   1HG1  VAL  69          HG11      VAL  69   5.339  -3.295  -0.447
  509   2HG1  VAL  69          HG12      VAL  69   4.439  -2.750   0.968
  510   3HG1  VAL  69          HG13      VAL  69   5.835  -1.831   0.404
  511   1HG2  VAL  69          HG21      VAL  69   3.332  -3.308  -1.861
  512   2HG2  VAL  69          HG22      VAL  69   2.320  -1.869  -1.998
  513   3HG2  VAL  69          HG23      VAL  69   2.329  -2.802  -0.501
  514    H    ILE  70           HN       ILE  70   4.547   1.263  -1.669
  515    HA   ILE  70           HA       ILE  70   2.093   2.560  -2.426
  516    HB   ILE  70           HB       ILE  70   3.577   3.844  -4.007
  517   1HG1  ILE  70          HG12      ILE  70   5.787   2.349  -2.566
  518   2HG1  ILE  70          HG11      ILE  70   5.338   2.108  -4.251
  519   1HG2  ILE  70          HG21      ILE  70   2.997   4.697  -1.812
  520   2HG2  ILE  70          HG22      ILE  70   4.664   5.121  -2.206
  521   3HG2  ILE  70          HG23      ILE  70   4.331   3.799  -1.088
  522   1HD1  ILE  70          HD11      ILE  70   5.981   4.396  -4.760
  523   2HD1  ILE  70          HD12      ILE  70   7.320   3.506  -4.033
  524   3HD1  ILE  70          HD13      ILE  70   6.401   4.662  -3.068
  525    H    SER  71           HN       SER  71   1.172   0.510  -3.090
  526    HA   SER  71           HA       SER  71   0.519  -1.102  -4.509
  527   1HB   SER  71          HB2       SER  71   0.420  -0.480  -6.948
  528   2HB   SER  71          HB1       SER  71  -0.329   0.676  -5.856
  529    HG   SER  71           HG       SER  71   2.273   1.283  -6.256
  530    H    ASP  72           HN       ASP  72   1.419  -1.978  -7.004
  531    HA   ASP  72           HA       ASP  72   4.220  -2.686  -6.612
  532   1HB   ASP  72          HB2       ASP  72   2.812  -4.406  -5.424
  533   2HB   ASP  72          HB1       ASP  72   2.059  -4.787  -6.970
  534    H    GLN  73           HN       GLN  73   4.758  -4.278  -8.607
  535    HA   GLN  73           HA       GLN  73   4.534  -2.693 -10.904
  536   1HB   GLN  73          HB2       GLN  73   5.116  -5.659 -10.839
  537   2HB   GLN  73          HB1       GLN  73   5.593  -4.512 -12.085
  538   1HG   GLN  73          HG2       GLN  73   6.995  -3.347 -10.420
  539   2HG   GLN  73          HG1       GLN  73   6.586  -4.600  -9.247
  540   1HE2  GLN  73          HE21      GLN  73   8.365  -3.808 -12.103
  541   2HE2  GLN  73          HE22      GLN  73   9.342  -5.241 -12.140
  542    H    LEU  74           HN       LEU  74   3.251  -6.000 -10.624
  543    HA   LEU  74           HA       LEU  74   1.369  -7.000 -11.437
  544   1HB   LEU  74          HB2       LEU  74   0.611  -5.362  -9.593
  545   2HB   LEU  74          HB1       LEU  74   0.016  -4.365 -10.904
  546    HG   LEU  74           HG       LEU  74  -1.437  -6.267 -11.619
  547   1HD1  LEU  74          HD11      LEU  74  -0.154  -8.090 -10.632
  548   2HD1  LEU  74          HD12      LEU  74  -1.817  -8.092 -10.041
  549   3HD1  LEU  74          HD13      LEU  74  -0.518  -7.480  -9.017
  550   1HD2  LEU  74          HD21      LEU  74  -1.810  -5.290  -8.790
  551   2HD2  LEU  74          HD22      LEU  74  -3.066  -5.980  -9.819
  552   3HD2  LEU  74          HD23      LEU  74  -2.312  -4.447 -10.256
  553    H    GLU  75           HN       GLU  75  -0.897  -5.626 -12.704
  554    HA   GLU  75           HA       GLU  75   0.258  -5.032 -15.316
  555   1HB   GLU  75          HB2       GLU  75  -2.579  -5.512 -14.393
  556   2HB   GLU  75          HB1       GLU  75  -2.207  -4.904 -15.997
  557   1HG   GLU  75          HG2       GLU  75  -2.577  -7.262 -16.115
  558   2HG   GLU  75          HG1       GLU  75  -0.873  -6.936 -16.421
  559    H    HIS  76           HN       HIS  76   0.126  -3.038 -16.270
  560    HA   HIS  76           HA       HIS  76  -0.375  -0.830 -14.449
  561   1HB   HIS  76          HB2       HIS  76   0.818  -0.990 -17.215
  562   2HB   HIS  76          HB1       HIS  76   0.515   0.542 -16.401
  563    HD1  HIS  76           HD1      HIS  76   2.571  -2.619 -15.998
  564    HD2  HIS  76           HD2      HIS  76   2.444   1.299 -14.604
  565    HE1  HIS  76           HE1      HIS  76   4.685  -2.300 -14.673
  566    HE2  HIS  76           HE2      HIS  76   4.635   0.105 -13.913
  567    H    HIS  77           HN       HIS  77  -2.475  -2.561 -15.839
  568    HA   HIS  77           HA       HIS  77  -4.045  -0.517 -17.203
  569   1HB   HIS  77          HB2       HIS  77  -4.040  -2.778 -18.158
  570   2HB   HIS  77          HB1       HIS  77  -4.622  -3.440 -16.637
  571    HD1  HIS  77           HD1      HIS  77  -7.120  -3.485 -16.280
  572    HD2  HIS  77           HD2      HIS  77  -5.990  -1.193 -19.569
  573    HE1  HIS  77           HE1      HIS  77  -9.256  -2.912 -17.480
  574    HE2  HIS  77           HE2      HIS  77  -8.558  -1.476 -19.430
  575    H    HIS  78           HN       HIS  78  -5.110   0.860 -15.923
  576    HA   HIS  78           HA       HIS  78  -5.765   0.326 -13.218
  577   1HB   HIS  78          HB2       HIS  78  -6.644   2.472 -15.142
  578   2HB   HIS  78          HB1       HIS  78  -7.278   2.383 -13.502
  579    HD1  HIS  78           HD1      HIS  78  -4.228   3.276 -15.448
  580    HD2  HIS  78           HD2      HIS  78  -5.450   3.075 -11.476
  581    HE1  HIS  78           HE1      HIS  78  -2.484   4.528 -14.138
  582    HE2  HIS  78           HE2      HIS  78  -3.314   4.514 -11.754
  583    H    HIS  79           HN       HIS  79  -7.470  -0.624 -12.324
  584    HA   HIS  79           HA       HIS  79  -9.423  -1.852 -14.077
  585   1HB   HIS  79          HB2       HIS  79  -8.373  -3.077 -12.149
  586   2HB   HIS  79          HB1       HIS  79  -9.243  -2.003 -11.058
  587    HD1  HIS  79           HD1      HIS  79 -11.547  -2.711 -10.399
  588    HD2  HIS  79           HD2      HIS  79 -10.171  -4.720 -13.776
  589    HE1  HIS  79           HE1      HIS  79 -13.278  -4.469 -10.901
  590    HE2  HIS  79           HE2      HIS  79 -12.325  -5.786 -12.827
  591    H    HIS  80           HN       HIS  80 -10.296   0.202 -14.766
  592    HA   HIS  80           HA       HIS  80 -12.543   1.011 -13.106
  593   1HB   HIS  80          HB2       HIS  80 -10.830   2.592 -12.404
  594   2HB   HIS  80          HB1       HIS  80 -10.436   2.962 -14.078
  595    HD1  HIS  80           HD1      HIS  80 -12.903   3.709 -11.385
  596    HD2  HIS  80           HD2      HIS  80 -12.244   4.686 -15.375
  597    HE1  HIS  80           HE1      HIS  80 -14.455   5.630 -11.882
  598    HE2  HIS  80           HE2      HIS  80 -14.214   6.022 -14.363
  599    H    HIS  81           HN       HIS  81 -14.299   1.361 -14.326
  600    HA   HIS  81           HA       HIS  81 -13.987   2.188 -17.099
  601   1HB   HIS  81          HB2       HIS  81 -15.544   0.467 -17.925
  602   2HB   HIS  81          HB1       HIS  81 -14.080  -0.246 -17.268
  603    HD1  HIS  81           HD1      HIS  81 -17.671  -0.525 -17.159
  604    HD2  HIS  81           HD2      HIS  81 -14.539  -1.329 -14.538
  605    HE1  HIS  81           HE1      HIS  81 -18.618  -2.080 -15.420
  606    HE2  HIS  81           HE2      HIS  81 -16.734  -2.487 -13.794
  Start of MODEL   18
    1   1H    MET   1          HT1       MET   1  12.253   7.564  11.315
    2   2H    MET   1          HT2       MET   1  13.535   7.519  10.212
    3   3H    MET   1          HT3       MET   1  13.449   6.371  11.457
    4    HA   MET   1           HA       MET   1  12.779   5.347   9.430
    5   1HB   MET   1          HB2       MET   1  11.562   4.646  11.426
    6   2HB   MET   1          HB1       MET   1  10.426   5.973  11.234
    7   1HG   MET   1          HG2       MET   1   9.655   4.989   9.124
    8   2HG   MET   1          HG1       MET   1  10.777   3.651   9.347
    9   1HE   MET   1          HE1       MET   1  10.524   1.776  11.156
   10   2HE   MET   1          HE2       MET   1   9.322   1.805  12.446
   11   3HE   MET   1          HE3       MET   1  10.614   3.007  12.416
   12    H    GLU   2           HN       GLU   2  12.829   6.342   7.496
   13    HA   GLU   2           HA       GLU   2  10.756   8.355   6.934
   14   1HB   GLU   2          HB2       GLU   2  13.381   7.963   5.483
   15   2HB   GLU   2          HB1       GLU   2  12.222   9.253   5.218
   16   1HG   GLU   2          HG2       GLU   2  13.964  10.214   6.430
   17   2HG   GLU   2          HG1       GLU   2  12.674   9.963   7.605
   18    H    ILE   3           HN       ILE   3   9.264   7.876   5.438
   19    HA   ILE   3           HA       ILE   3   9.601   5.558   3.733
   20    HB   ILE   3           HB       ILE   3   7.411   6.342   2.710
   21   1HG1  ILE   3          HG12      ILE   3   7.466   8.252   5.061
   22   2HG1  ILE   3          HG11      ILE   3   7.581   8.716   3.367
   23   1HG2  ILE   3          HG21      ILE   3   7.540   4.580   4.391
   24   2HG2  ILE   3          HG22      ILE   3   6.078   5.544   4.592
   25   3HG2  ILE   3          HG23      ILE   3   7.449   5.787   5.674
   26   1HD1  ILE   3          HD11      ILE   3   5.331   7.854   2.978
   27   2HD1  ILE   3          HD12      ILE   3   5.347   9.090   4.238
   28   3HD1  ILE   3          HD13      ILE   3   5.219   7.386   4.675
   29    H    THR   4           HN       THR   4  10.745   5.666   1.905
   30    HA   THR   4           HA       THR   4  11.310   8.358   0.840
   31    HB   THR   4           HB       THR   4  13.188   6.030   0.541
   32    HG1  THR   4           HG1      THR   4  12.418   6.747   2.869
   33   1HG2  THR   4          HG21      THR   4  13.662   8.998   0.832
   34   2HG2  THR   4          HG22      THR   4  13.612   8.128  -0.701
   35   3HG2  THR   4          HG23      THR   4  14.880   7.773   0.473
   36    H    CYS   5           HN       CYS   5  10.891   8.718  -1.299
   37    HA   CYS   5           HA       CYS   5   9.739   6.661  -2.899
   38   1HB   CYS   5          HB2       CYS   5   9.865   8.354  -4.752
   39   2HB   CYS   5          HB1       CYS   5   9.012   8.901  -3.322
   40    HA   PRO   6           HA       PRO   6  13.368   4.651  -4.165
   41   1HB   PRO   6          HB2       PRO   6  12.471   3.463  -6.460
   42   2HB   PRO   6          HB1       PRO   6  12.076   2.899  -4.834
   43   1HG   PRO   6          HG2       PRO   6  10.451   4.558  -6.712
   44   2HG   PRO   6          HG1       PRO   6   9.933   3.248  -5.636
   45   1HD   PRO   6          HD2       PRO   6   9.566   5.865  -5.039
   46   2HD   PRO   6          HD1       PRO   6   9.834   4.626  -3.797
   47    H    VAL   7           HN       VAL   7  11.915   5.548  -7.285
   48    HA   VAL   7           HA       VAL   7  14.465   5.921  -8.461
   49    HB   VAL   7           HB       VAL   7  13.262   6.622 -10.471
   50   1HG1  VAL   7          HG11      VAL   7  11.937   4.589 -10.812
   51   2HG1  VAL   7          HG12      VAL   7  11.966   4.283  -9.074
   52   3HG1  VAL   7          HG13      VAL   7  13.465   4.246 -10.003
   53   1HG2  VAL   7          HG21      VAL   7  10.774   6.518  -8.758
   54   2HG2  VAL   7          HG22      VAL   7  10.821   6.775 -10.502
   55   3HG2  VAL   7          HG23      VAL   7  11.513   7.979  -9.414
   56    H    CYS   8           HN       CYS   8  12.256   8.063  -6.900
   57    HA   CYS   8           HA       CYS   8  13.665  10.403  -7.963
   58   1HB   CYS   8          HB2       CYS   8  11.488  11.362  -6.613
   59   2HB   CYS   8          HB1       CYS   8  11.536  11.000  -8.339
   60    H    HIS   9           HN       HIS   9  13.862   8.422  -5.482
   61    HA   HIS   9           HA       HIS   9  14.606   8.507  -3.312
   62   1HB   HIS   9          HB2       HIS   9  16.468   8.603  -5.135
   63   2HB   HIS   9          HB1       HIS   9  16.791  10.191  -4.449
   64    HD1  HIS   9           HD1      HIS   9  18.809   9.937  -3.024
   65    HD2  HIS   9           HD2      HIS   9  16.165   6.752  -2.575
   66    HE1  HIS   9           HE1      HIS   9  19.805   8.471  -1.238
   67    HE2  HIS   9           HE2      HIS   9  18.305   6.442  -1.149
   68    H    HIS  10           HN       HIS  10  13.079   9.782  -2.173
   69    HA   HIS  10           HA       HIS  10  14.409  11.401  -0.369
   70   1HB   HIS  10          HB2       HIS  10  13.783  12.979  -2.569
   71   2HB   HIS  10          HB1       HIS  10  12.467  13.304  -1.442
   72    HD1  HIS  10           HD1      HIS  10  13.010  15.431  -0.239
   73    HD2  HIS  10           HD2      HIS  10  16.373  13.023  -0.771
   74    HE1  HIS  10           HE1      HIS  10  14.894  16.619   0.918
   75    HE2  HIS  10           HE2      HIS  10  16.890  15.107   0.680
   76    H    ALA  11           HN       ALA  11  12.653  12.636   1.064
   77    HA   ALA  11           HA       ALA  11  11.050  10.599   2.096
   78   1HB   ALA  11          HB1       ALA  11  10.176  12.269   3.618
   79   2HB   ALA  11          HB2       ALA  11  10.813  13.558   2.595
   80   3HB   ALA  11          HB3       ALA  11  11.918  12.459   3.421
   81    H    LEU  12           HN       LEU  12   9.019   9.995   1.873
   82    HA   LEU  12           HA       LEU  12   7.262  11.363  -0.014
   83   1HB   LEU  12          HB2       LEU  12   7.046   8.743   1.477
   84   2HB   LEU  12          HB1       LEU  12   5.753   9.390   0.487
   85    HG   LEU  12           HG       LEU  12   8.499   8.689  -0.554
   86   1HD1  LEU  12          HD11      LEU  12   7.370   6.756  -1.586
   87   2HD1  LEU  12          HD12      LEU  12   5.905   7.154  -0.685
   88   3HD1  LEU  12          HD13      LEU  12   7.368   6.675   0.178
   89   1HD2  LEU  12          HD21      LEU  12   7.506  10.332  -1.934
   90   2HD2  LEU  12          HD22      LEU  12   5.932   9.546  -1.858
   91   3HD2  LEU  12          HD23      LEU  12   7.254   8.788  -2.740
   92    H    GLU  13           HN       GLU  13   5.110  11.976   0.614
   93    HA   GLU  13           HA       GLU  13   4.719  12.229   3.521
   94   1HB   GLU  13          HB2       GLU  13   5.115  14.439   2.591
   95   2HB   GLU  13          HB1       GLU  13   3.880  14.175   1.365
   96   1HG   GLU  13          HG2       GLU  13   2.175  14.043   3.105
   97   2HG   GLU  13          HG1       GLU  13   3.408  14.303   4.335
   98    H    ARG  14           HN       ARG  14   2.905  11.374   4.311
   99    HA   ARG  14           HA       ARG  14   1.001  10.187   2.476
  100   1HB   ARG  14          HB2       ARG  14   1.650   8.945   4.497
  101   2HB   ARG  14          HB1       ARG  14   1.030  10.246   5.503
  102   1HG   ARG  14          HG2       ARG  14  -1.226   9.830   4.651
  103   2HG   ARG  14          HG1       ARG  14  -0.601   8.521   3.645
  104   1HD   ARG  14          HD2       ARG  14   0.089   7.295   5.616
  105   2HD   ARG  14          HD1       ARG  14  -0.421   8.626   6.655
  106    HE   ARG  14           HE       ARG  14  -2.627   7.837   5.131
  107   1HH1  ARG  14          HH11      ARG  14  -0.553   6.494   7.620
  108   2HH1  ARG  14          HH12      ARG  14  -1.813   5.525   8.317
  109   1HH2  ARG  14          HH21      ARG  14  -4.279   6.541   6.022
  110   2HH2  ARG  14          HH22      ARG  14  -3.926   5.546   7.417
  111    H    ASN  15           HN       ASN  15   0.155  11.987   1.495
  112    HA   ASN  15           HA       ASN  15  -1.194  14.029   3.047
  113   1HB   ASN  15          HB2       ASN  15  -0.015  14.560   0.904
  114   2HB   ASN  15          HB1       ASN  15  -1.180  13.554   0.052
  115   1HD2  ASN  15          HD21      ASN  15  -0.649  16.547   1.714
  116   2HD2  ASN  15          HD22      ASN  15  -2.129  17.315   1.236
  117    H    GLY  16           HN       GLY  16  -3.087  13.495   3.959
  118   1HA   GLY  16          HA2       GLY  16  -5.094  12.434   4.329
  119   2HA   GLY  16          HA1       GLY  16  -5.230  12.250   2.582
  120    H    ASP  17           HN       ASP  17  -4.881  10.304   1.688
  121    HA   ASP  17           HA       ASP  17  -3.427   8.289   3.263
  122   1HB   ASP  17          HB2       ASP  17  -6.055   7.890   1.824
  123   2HB   ASP  17          HB1       ASP  17  -5.021   6.555   2.324
  124    H    THR  18           HN       THR  18  -2.955  10.153   0.941
  125    HA   THR  18           HA       THR  18  -2.131   8.170  -1.077
  126    HB   THR  18           HB       THR  18  -2.285  11.172  -1.417
  127    HG1  THR  18           HG1      THR  18  -4.276   9.279  -1.328
  128   1HG2  THR  18          HG21      THR  18  -0.914   9.989  -3.073
  129   2HG2  THR  18          HG22      THR  18  -2.386  10.628  -3.808
  130   3HG2  THR  18          HG23      THR  18  -2.264   8.911  -3.424
  131    H    ALA  19           HN       ALA  19   0.053   8.398  -1.970
  132    HA   ALA  19           HA       ALA  19   1.896   9.560   0.018
  133   1HB   ALA  19          HB1       ALA  19   2.000   7.111  -0.187
  134   2HB   ALA  19          HB2       ALA  19   3.515   7.885  -0.650
  135   3HB   ALA  19          HB3       ALA  19   2.414   7.286  -1.891
  136    H    HIS  20           HN       HIS  20   2.414  11.517  -0.731
  137    HA   HIS  20           HA       HIS  20   3.036  11.851  -3.580
  138   1HB   HIS  20          HB2       HIS  20   1.411  13.428  -2.671
  139   2HB   HIS  20          HB1       HIS  20   2.527  13.887  -1.392
  140    HD1  HIS  20           HD1      HIS  20   1.948  14.308  -5.105
  141    HD2  HIS  20           HD2      HIS  20   4.403  15.809  -2.083
  142    HE1  HIS  20           HE1      HIS  20   3.127  16.296  -6.098
  143    HE2  HIS  20           HE2      HIS  20   4.703  17.103  -4.301
  144    H    CYS  21           HN       CYS  21   5.043  12.346  -4.287
  145    HA   CYS  21           HA       CYS  21   7.248  12.051  -2.466
  146   1HB   CYS  21          HB2       CYS  21   7.239  12.814  -5.387
  147   2HB   CYS  21          HB1       CYS  21   8.643  12.307  -4.455
  148    H    GLU  22           HN       GLU  22   8.422  13.607  -1.541
  149    HA   GLU  22           HA       GLU  22   7.452  16.260  -1.564
  150   1HB   GLU  22          HB2       GLU  22   8.447  15.291   0.412
  151   2HB   GLU  22          HB1       GLU  22   9.974  15.056  -0.422
  152   1HG   GLU  22          HG2       GLU  22   8.872  17.807  -0.177
  153   2HG   GLU  22          HG1       GLU  22   9.620  17.048   1.230
  154    H    THR  23           HN       THR  23  10.113  14.687  -3.246
  155    HA   THR  23           HA       THR  23  11.019  17.273  -4.288
  156    HB   THR  23           HB       THR  23  12.893  15.971  -5.301
  157    HG1  THR  23           HG1      THR  23  11.364  13.862  -4.379
  158   1HG2  THR  23          HG21      THR  23  12.526  15.682  -2.327
  159   2HG2  THR  23          HG22      THR  23  13.178  17.088  -3.170
  160   3HG2  THR  23          HG23      THR  23  14.060  15.560  -3.185
  161    H    CYS  24           HN       CYS  24   8.541  15.576  -5.177
  162    HA   CYS  24           HA       CYS  24   9.104  15.672  -8.036
  163   1HB   CYS  24          HB2       CYS  24   7.883  13.126  -7.160
  164   2HB   CYS  24          HB1       CYS  24   9.077  13.425  -8.421
  165    H    ALA  25           HN       ALA  25   7.272  15.913  -9.294
  166    HA   ALA  25           HA       ALA  25   4.797  16.541  -7.957
  167   1HB   ALA  25          HB1       ALA  25   5.532  17.834  -9.903
  168   2HB   ALA  25          HB2       ALA  25   3.972  17.066 -10.201
  169   3HB   ALA  25          HB3       ALA  25   5.439  16.385 -10.905
  170    H    LYS  26           HN       LYS  26   5.322  14.038  -7.268
  171    HA   LYS  26           HA       LYS  26   3.560  12.355  -8.920
  172   1HB   LYS  26          HB2       LYS  26   6.122  11.478  -7.566
  173   2HB   LYS  26          HB1       LYS  26   5.039  10.446  -8.487
  174   1HG   LYS  26          HG2       LYS  26   5.600  11.532 -10.521
  175   2HG   LYS  26          HG1       LYS  26   6.459  12.817  -9.671
  176   1HD   LYS  26          HD2       LYS  26   8.052  11.268 -10.631
  177   2HD   LYS  26          HD1       LYS  26   8.098  11.152  -8.872
  178   1HE   LYS  26          HE2       LYS  26   8.192   8.943  -9.870
  179   2HE   LYS  26          HE1       LYS  26   6.684   9.148  -8.980
  180   1HZ   LYS  26          HZ1       LYS  26   6.910   9.552 -11.912
  181   2HZ   LYS  26          HZ2       LYS  26   5.490   9.437 -10.994
  182   3HZ   LYS  26          HZ3       LYS  26   6.472   8.077 -11.210
  183    H    ASP  27           HN       ASP  27   2.095  11.172  -7.790
  184    HA   ASP  27           HA       ASP  27   2.660  10.487  -5.036
  185   1HB   ASP  27          HB2       ASP  27   0.107  11.037  -4.574
  186   2HB   ASP  27          HB1       ASP  27   1.371  12.233  -4.330
  187    H    PHE  28           HN       PHE  28   1.835   8.578  -4.410
  188    HA   PHE  28           HA       PHE  28   0.671   6.993  -6.607
  189   1HB   PHE  28          HB2       PHE  28   2.226   5.808  -4.330
  190   2HB   PHE  28          HB1       PHE  28   1.967   5.164  -5.945
  191    HD1  PHE  28           HD1      PHE  28   3.194   6.231  -7.883
  192    HD2  PHE  28           HD2      PHE  28   4.102   7.075  -3.812
  193    HE1  PHE  28           HE1      PHE  28   5.403   7.086  -8.554
  194    HE2  PHE  28           HE2      PHE  28   6.305   7.935  -4.474
  195    HZ   PHE  28           HZ       PHE  28   6.962   7.941  -6.845
  196    H    SER  29           HN       SER  29  -0.754   5.275  -6.044
  197    HA   SER  29           HA       SER  29  -2.382   5.739  -3.705
  198   1HB   SER  29          HB2       SER  29  -3.677   3.782  -4.622
  199   2HB   SER  29          HB1       SER  29  -3.508   5.119  -5.760
  200    HG   SER  29           HG       SER  29  -1.660   2.985  -5.729
  201    H    LEU  30           HN       LEU  30  -2.241   4.615  -1.814
  202    HA   LEU  30           HA       LEU  30  -0.109   2.607  -1.659
  203   1HB   LEU  30          HB2       LEU  30  -1.469   4.274   0.454
  204   2HB   LEU  30          HB1       LEU  30  -0.376   2.959   0.835
  205    HG   LEU  30           HG       LEU  30   0.345   5.462  -0.691
  206   1HD1  LEU  30          HD11      LEU  30   0.998   4.537   2.104
  207   2HD1  LEU  30          HD12      LEU  30  -0.013   5.911   1.656
  208   3HD1  LEU  30          HD13      LEU  30   1.716   5.936   1.308
  209   1HD2  LEU  30          HD21      LEU  30   1.623   3.536  -1.467
  210   2HD2  LEU  30          HD22      LEU  30   2.051   3.136   0.197
  211   3HD2  LEU  30          HD23      LEU  30   2.646   4.627  -0.532
  212    H    GLN  31           HN       GLN  31  -0.427   0.593  -0.983
  213    HA   GLN  31           HA       GLN  31  -3.096  -0.157  -0.015
  214   1HB   GLN  31          HB2       GLN  31  -1.438  -1.652  -2.055
  215   2HB   GLN  31          HB1       GLN  31  -2.865  -2.308  -1.267
  216   1HG   GLN  31          HG2       GLN  31  -4.192  -0.457  -2.230
  217   2HG   GLN  31          HG1       GLN  31  -2.753   0.076  -3.097
  218   1HE2  GLN  31          HE21      GLN  31  -5.331  -0.838  -4.104
  219   2HE2  GLN  31          HE22      GLN  31  -4.986  -2.171  -5.149
  220    H    ALA  32           HN       ALA  32  -2.821  -0.800   1.999
  221    HA   ALA  32           HA       ALA  32  -0.389  -1.834   3.040
  222   1HB   ALA  32          HB1       ALA  32  -3.200  -1.943   4.148
  223   2HB   ALA  32          HB2       ALA  32  -1.987  -0.710   4.487
  224   3HB   ALA  32          HB3       ALA  32  -1.739  -2.363   5.039
  225    H    LEU  33           HN       LEU  33   0.238  -3.573   1.767
  226    HA   LEU  33           HA       LEU  33  -1.659  -5.728   1.277
  227   1HB   LEU  33          HB2       LEU  33  -0.099  -4.840  -0.498
  228   2HB   LEU  33          HB1       LEU  33   1.230  -5.518   0.420
  229    HG   LEU  33           HG       LEU  33   0.224  -7.779   0.122
  230   1HD1  LEU  33          HD11      LEU  33  -1.647  -6.316  -1.736
  231   2HD1  LEU  33          HD12      LEU  33  -2.091  -7.084  -0.210
  232   3HD1  LEU  33          HD13      LEU  33  -1.519  -8.067  -1.559
  233   1HD2  LEU  33          HD21      LEU  33   0.843  -7.992  -2.241
  234   2HD2  LEU  33          HD22      LEU  33   2.003  -7.017  -1.342
  235   3HD2  LEU  33          HD23      LEU  33   0.825  -6.236  -2.397
  236    H    CYS  34           HN       CYS  34  -1.177  -7.934   1.857
  237    HA   CYS  34           HA       CYS  34   0.503  -8.078   4.240
  238   1HB   CYS  34          HB2       CYS  34  -0.536 -10.293   4.614
  239   2HB   CYS  34          HB1       CYS  34  -1.723  -8.995   4.535
  240    HA   PRO  35           HA       PRO  35   3.809  -9.540   1.846
  241   1HB   PRO  35          HB2       PRO  35   4.824 -10.676   4.368
  242   2HB   PRO  35          HB1       PRO  35   5.506  -9.401   3.355
  243   1HG   PRO  35          HG2       PRO  35   4.392  -8.858   5.734
  244   2HG   PRO  35          HG1       PRO  35   4.251  -7.743   4.362
  245   1HD   PRO  35          HD2       PRO  35   2.237  -9.695   5.427
  246   2HD   PRO  35          HD1       PRO  35   1.988  -8.035   4.843
  247    H    ASP  36           HN       ASP  36   2.067 -11.714   3.961
  248    HA   ASP  36           HA       ASP  36   3.363 -14.052   2.821
  249   1HB   ASP  36          HB2       ASP  36   1.363 -13.698   5.050
  250   2HB   ASP  36          HB1       ASP  36   1.854 -15.282   4.456
  251    H    CYS  37           HN       CYS  37  -0.061 -13.155   3.381
  252    HA   CYS  37           HA       CYS  37  -1.015 -15.028   1.465
  253   1HB   CYS  37          HB2       CYS  37  -2.688 -12.671   2.140
  254   2HB   CYS  37          HB1       CYS  37  -3.112 -14.377   2.115
  255    H    ARG  38           HN       ARG  38  -0.479 -11.559   1.429
  256    HA   ARG  38           HA       ARG  38  -0.542  -9.963  -0.149
  257   1HB   ARG  38          HB2       ARG  38   0.089 -12.186  -2.097
  258   2HB   ARG  38          HB1       ARG  38   0.307 -10.459  -2.364
  259   1HG   ARG  38          HG2       ARG  38   1.923 -10.467  -0.445
  260   2HG   ARG  38          HG1       ARG  38   1.819 -12.230  -0.467
  261   1HD   ARG  38          HD2       ARG  38   3.736 -11.547  -1.740
  262   2HD   ARG  38          HD1       ARG  38   2.520 -12.191  -2.841
  263    HE   ARG  38           HE       ARG  38   2.734  -9.290  -2.436
  264   1HH1  ARG  38          HH11      ARG  38   2.961 -12.087  -4.527
  265   2HH1  ARG  38          HH12      ARG  38   3.121 -11.149  -5.976
  266   1HH2  ARG  38          HH21      ARG  38   2.954  -8.040  -4.357
  267   2HH2  ARG  38          HH22      ARG  38   3.137  -8.859  -5.884
  268    H    GLN  39           HN       GLN  39  -1.393  -9.892  -2.749
  269    HA   GLN  39           HA       GLN  39  -3.208  -9.863  -4.140
  270   1HB   GLN  39          HB2       GLN  39  -4.551 -11.766  -2.199
  271   2HB   GLN  39          HB1       GLN  39  -5.066 -11.407  -3.840
  272   1HG   GLN  39          HG2       GLN  39  -2.380 -12.611  -3.282
  273   2HG   GLN  39          HG1       GLN  39  -3.825 -13.607  -3.379
  274   1HE2  GLN  39          HE21      GLN  39  -3.424 -10.748  -5.337
  275   2HE2  GLN  39          HE22      GLN  39  -3.231 -11.572  -6.846
  276    HA   PRO  40           HA       PRO  40  -5.728  -6.635  -2.480
  277   1HB   PRO  40          HB2       PRO  40  -8.291  -7.441  -3.266
  278   2HB   PRO  40          HB1       PRO  40  -7.183  -6.444  -4.210
  279   1HG   PRO  40          HG2       PRO  40  -7.731  -9.367  -4.393
  280   2HG   PRO  40          HG1       PRO  40  -7.362  -8.206  -5.682
  281   1HD   PRO  40          HD2       PRO  40  -5.526  -9.949  -4.796
  282   2HD   PRO  40          HD1       PRO  40  -5.079  -8.298  -5.280
  283    H    LEU  41           HN       LEU  41  -5.818  -6.674  -0.310
  284    HA   LEU  41           HA       LEU  41  -6.981  -8.786   1.206
  285   1HB   LEU  41          HB2       LEU  41  -6.461  -5.974   2.168
  286   2HB   LEU  41          HB1       LEU  41  -6.604  -7.415   3.146
  287    HG   LEU  41           HG       LEU  41  -4.305  -6.631   1.360
  288   1HD1  LEU  41          HD11      LEU  41  -4.378  -5.565   3.543
  289   2HD1  LEU  41          HD12      LEU  41  -3.051  -6.725   3.454
  290   3HD1  LEU  41          HD13      LEU  41  -4.531  -7.141   4.321
  291   1HD2  LEU  41          HD21      LEU  41  -4.810  -9.236   2.779
  292   2HD2  LEU  41          HD22      LEU  41  -3.215  -8.711   2.225
  293   3HD2  LEU  41          HD23      LEU  41  -4.520  -8.984   1.055
  294    H    GLN  42           HN       GLN  42  -8.494  -7.536   3.137
  295    HA   GLN  42           HA       GLN  42 -10.908  -6.854   1.642
  296   1HB   GLN  42          HB2       GLN  42 -10.467  -7.574   4.547
  297   2HB   GLN  42          HB1       GLN  42 -12.028  -7.129   3.868
  298   1HG   GLN  42          HG2       GLN  42 -12.025  -9.040   2.435
  299   2HG   GLN  42          HG1       GLN  42 -10.370  -9.437   2.889
  300   1HE2  GLN  42          HE21      GLN  42 -13.695  -9.415   3.905
  301   2HE2  GLN  42          HE22      GLN  42 -13.496 -10.474   5.253
  302    H    VAL  43           HN       VAL  43 -11.299  -4.787   1.292
  303    HA   VAL  43           HA       VAL  43  -9.788  -2.761   2.662
  304    HB   VAL  43           HB       VAL  43 -12.052  -2.384   0.692
  305   1HG1  VAL  43          HG11      VAL  43  -9.828  -0.524   1.527
  306   2HG1  VAL  43          HG12      VAL  43 -11.523  -0.384   1.992
  307   3HG1  VAL  43          HG13      VAL  43 -11.053  -0.190   0.304
  308   1HG2  VAL  43          HG21      VAL  43 -10.272  -3.763  -0.268
  309   2HG2  VAL  43          HG22      VAL  43  -9.085  -2.534   0.168
  310   3HG2  VAL  43          HG23      VAL  43 -10.334  -2.170  -1.023
  311    H    LEU  44           HN       LEU  44 -10.351  -2.561   4.728
  312    HA   LEU  44           HA       LEU  44 -13.101  -2.537   5.590
  313   1HB   LEU  44          HB2       LEU  44 -10.582  -1.883   7.128
  314   2HB   LEU  44          HB1       LEU  44 -12.162  -2.206   7.816
  315    HG   LEU  44           HG       LEU  44 -10.447  -4.205   6.321
  316   1HD1  LEU  44          HD11      LEU  44 -10.245  -5.300   8.495
  317   2HD1  LEU  44          HD12      LEU  44 -11.159  -3.990   9.247
  318   3HD1  LEU  44          HD13      LEU  44  -9.578  -3.668   8.535
  319   1HD2  LEU  44          HD21      LEU  44 -12.129  -5.841   6.987
  320   2HD2  LEU  44          HD22      LEU  44 -12.834  -4.589   5.963
  321   3HD2  LEU  44          HD23      LEU  44 -13.106  -4.559   7.705
  322    H    LYS  45           HN       LYS  45 -14.193  -0.753   6.482
  323    HA   LYS  45           HA       LYS  45 -13.200   1.809   5.436
  324   1HB   LYS  45          HB2       LYS  45 -16.027   1.018   6.173
  325   2HB   LYS  45          HB1       LYS  45 -15.539   2.570   5.513
  326   1HG   LYS  45          HG2       LYS  45 -16.394   1.474   3.670
  327   2HG   LYS  45          HG1       LYS  45 -14.661   1.185   3.514
  328   1HD   LYS  45          HD2       LYS  45 -14.917  -1.031   4.479
  329   2HD   LYS  45          HD1       LYS  45 -16.640  -0.741   4.734
  330   1HE   LYS  45          HE2       LYS  45 -16.382  -2.078   2.765
  331   2HE   LYS  45          HE1       LYS  45 -16.895  -0.465   2.275
  332   1HZ   LYS  45          HZ1       LYS  45 -15.134  -1.326   0.858
  333   2HZ   LYS  45          HZ2       LYS  45 -14.105  -1.486   2.199
  334   3HZ   LYS  45          HZ3       LYS  45 -14.612   0.052   1.694
  335    H    ALA  46           HN       ALA  46 -12.596   3.328   6.814
  336    HA   ALA  46           HA       ALA  46 -13.296   3.007   9.652
  337   1HB   ALA  46          HB1       ALA  46 -11.145   4.694   8.371
  338   2HB   ALA  46          HB2       ALA  46 -10.903   3.119   9.128
  339   3HB   ALA  46          HB3       ALA  46 -11.414   4.498  10.103
  340    H    CYS  47           HN       CYS  47 -14.777   4.259   7.252
  341    HA   CYS  47           HA       CYS  47 -16.206   5.957   6.837
  342   1HB   CYS  47          HB2       CYS  47 -15.923   6.550   9.792
  343   2HB   CYS  47          HB1       CYS  47 -17.208   7.128   8.735
  344    HG   CYS  47           HG       CYS  47 -18.708   5.005   8.779
  345    H    GLY  48           HN       GLY  48 -14.689   6.967   5.513
  346   1HA   GLY  48          HA2       GLY  48 -14.021   9.298   5.077
  347   2HA   GLY  48          HA1       GLY  48 -13.371   9.329   6.714
  348    H    ALA  49           HN       ALA  49 -12.124   6.891   6.813
  349    HA   ALA  49           HA       ALA  49 -10.116   7.017   4.662
  350   1HB   ALA  49          HB1       ALA  49  -9.641   6.333   7.566
  351   2HB   ALA  49          HB2       ALA  49  -9.204   7.852   6.783
  352   3HB   ALA  49          HB3       ALA  49  -8.424   6.349   6.290
  353    H    VAL  50           HN       VAL  50  -8.929   4.887   4.431
  354    HA   VAL  50           HA       VAL  50 -10.699   2.620   5.056
  355    HB   VAL  50           HB       VAL  50 -10.086   1.584   2.894
  356   1HG1  VAL  50          HG11      VAL  50 -11.417   4.281   2.679
  357   2HG1  VAL  50          HG12      VAL  50 -12.198   2.752   3.083
  358   3HG1  VAL  50          HG13      VAL  50 -11.518   2.996   1.475
  359   1HG2  VAL  50          HG21      VAL  50  -9.083   2.936   1.125
  360   2HG2  VAL  50          HG22      VAL  50  -7.987   2.780   2.499
  361   3HG2  VAL  50          HG23      VAL  50  -8.885   4.277   2.253
  362    H    ASP  51           HN       ASP  51  -9.566   0.505   4.973
  363    HA   ASP  51           HA       ASP  51  -6.670   0.643   5.288
  364   1HB   ASP  51          HB2       ASP  51  -7.681   1.000   7.564
  365   2HB   ASP  51          HB1       ASP  51  -8.412  -0.598   7.430
  366    H    TYR  52           HN       TYR  52  -5.643  -1.358   4.982
  367    HA   TYR  52           HA       TYR  52  -7.387  -3.432   3.846
  368   1HB   TYR  52          HB2       TYR  52  -4.425  -3.044   3.375
  369   2HB   TYR  52          HB1       TYR  52  -5.479  -4.182   2.549
  370    HD1  TYR  52           HD1      TYR  52  -4.749  -0.573   2.980
  371    HD2  TYR  52           HD2      TYR  52  -6.684  -3.536   0.620
  372    HE1  TYR  52           HE1      TYR  52  -5.139   1.096   1.220
  373    HE2  TYR  52           HE2      TYR  52  -7.090  -1.870  -1.144
  374    HH   TYR  52           HH       TYR  52  -5.573   1.204  -1.147
  375    H    PHE  53           HN       PHE  53  -7.732  -5.049   5.223
  376    HA   PHE  53           HA       PHE  53  -5.514  -6.056   6.854
  377   1HB   PHE  53          HB2       PHE  53  -6.867  -4.246   8.080
  378   2HB   PHE  53          HB1       PHE  53  -8.182  -5.413   8.109
  379    HD1  PHE  53           HD2      PHE  53  -4.736  -4.743   9.273
  380    HD2  PHE  53           HD1      PHE  53  -8.215  -7.178   9.668
  381    HE1  PHE  53           HE2      PHE  53  -3.832  -5.708  11.345
  382    HE2  PHE  53           HE1      PHE  53  -7.310  -8.142  11.741
  383    HZ   PHE  53           HZ       PHE  53  -5.115  -7.407  12.580
  384    H    CYS  54           HN       CYS  54  -5.561  -8.223   7.057
  385    HA   CYS  54           HA       CYS  54  -7.503  -9.692   5.566
  386   1HB   CYS  54          HB2       CYS  54  -5.247 -10.650   7.339
  387   2HB   CYS  54          HB1       CYS  54  -6.164 -11.654   6.225
  388    H    GLN  55           HN       GLN  55  -9.414 -10.352   6.328
  389    HA   GLN  55           HA       GLN  55  -9.623 -11.057   9.180
  390   1HB   GLN  55          HB2       GLN  55 -11.798 -10.531   7.139
  391   2HB   GLN  55          HB1       GLN  55 -12.082 -11.023   8.801
  392   1HG   GLN  55          HG2       GLN  55 -11.108  -8.963   9.612
  393   2HG   GLN  55          HG1       GLN  55 -10.715  -8.478   7.962
  394   1HE2  GLN  55          HE21      GLN  55 -12.423  -7.178   9.979
  395   2HE2  GLN  55          HE22      GLN  55 -13.968  -6.994   9.215
  396    H    ASN  56           HN       ASN  56 -10.735 -12.153   5.981
  397    HA   ASN  56           HA       ASN  56 -10.386 -14.936   6.892
  398   1HB   ASN  56          HB2       ASN  56 -12.651 -13.797   5.241
  399   2HB   ASN  56          HB1       ASN  56 -12.343 -15.520   5.415
  400   1HD2  ASN  56          HD21      ASN  56 -13.434 -12.631   6.997
  401   2HD2  ASN  56          HD22      ASN  56 -14.144 -13.407   8.368
  402    H    GLY  57           HN       GLY  57  -9.893 -16.464   5.200
  403   1HA   GLY  57          HA2       GLY  57  -9.065 -17.163   3.166
  404   2HA   GLY  57          HA1       GLY  57  -9.491 -15.595   2.499
  405    H    HIS  58           HN       HIS  58  -7.665 -15.011   5.166
  406    HA   HIS  58           HA       HIS  58  -5.102 -15.196   3.766
  407   1HB   HIS  58          HB2       HIS  58  -6.164 -12.640   4.986
  408   2HB   HIS  58          HB1       HIS  58  -4.552 -12.863   4.333
  409    HD2  HIS  58           HD2      HIS  58  -8.206 -12.316   3.077
  410    HE1  HIS  58           HE1      HIS  58  -5.535 -11.778  -0.173
  411    HE2  HIS  58           HE2      HIS  58  -7.922 -11.570   0.614
  412    H    GLY  59           HN       GLY  59  -5.836 -13.199   6.538
  413   1HA   GLY  59          HA2       GLY  59  -5.637 -14.531   8.787
  414   2HA   GLY  59          HA1       GLY  59  -4.009 -14.800   8.167
  415    H    LEU  60           HN       LEU  60  -5.653 -12.931  10.254
  416    HA   LEU  60           HA       LEU  60  -5.126 -10.300   9.488
  417   1HB   LEU  60          HB2       LEU  60  -5.420  -9.718  11.883
  418   2HB   LEU  60          HB1       LEU  60  -6.712 -10.681  11.206
  419    HG   LEU  60           HG       LEU  60  -5.388 -12.679  12.295
  420   1HD1  LEU  60          HD11      LEU  60  -4.326 -12.047  14.400
  421   2HD1  LEU  60          HD12      LEU  60  -4.524 -10.343  13.993
  422   3HD1  LEU  60          HD13      LEU  60  -3.466 -11.364  13.020
  423   1HD2  LEU  60          HD21      LEU  60  -7.660 -12.028  12.850
  424   2HD2  LEU  60          HD22      LEU  60  -7.053 -10.716  13.861
  425   3HD2  LEU  60          HD23      LEU  60  -6.748 -12.393  14.315
  426    H    ILE  61           HN       ILE  61  -3.516  -8.927   9.731
  427    HA   ILE  61           HA       ILE  61  -0.960  -9.994  10.714
  428    HB   ILE  61           HB       ILE  61  -0.356  -7.965   8.884
  429   1HG1  ILE  61          HG12      ILE  61  -1.409  -8.947   6.772
  430   2HG1  ILE  61          HG11      ILE  61  -2.559  -9.746   7.836
  431   1HG2  ILE  61          HG21      ILE  61   0.934  -9.993   9.323
  432   2HG2  ILE  61          HG22      ILE  61   0.686  -9.726   7.598
  433   3HG2  ILE  61          HG23      ILE  61  -0.270 -10.941   8.450
  434   1HD1  ILE  61          HD11      ILE  61  -3.328  -7.581   8.643
  435   2HD1  ILE  61          HD12      ILE  61  -3.471  -7.696   6.888
  436   3HD1  ILE  61          HD13      ILE  61  -2.152  -6.772   7.607
  437    H    SER  62           HN       SER  62  -0.145  -8.875  12.384
  438    HA   SER  62           HA       SER  62  -1.177  -6.483  13.383
  439   1HB   SER  62          HB2       SER  62   1.643  -7.564  13.656
  440   2HB   SER  62          HB1       SER  62   0.907  -6.340  14.693
  441    HG   SER  62           HG       SER  62   0.416  -9.099  14.538
  442    H    LYS  63           HN       LYS  63  -0.152  -4.301  13.366
  443    HA   LYS  63           HA       LYS  63  -0.045  -3.540  10.654
  444   1HB   LYS  63          HB2       LYS  63   0.304  -2.015  13.211
  445   2HB   LYS  63          HB1       LYS  63   0.509  -1.235  11.646
  446   1HG   LYS  63          HG2       LYS  63  -1.969  -2.677  12.577
  447   2HG   LYS  63          HG1       LYS  63  -1.753  -0.926  12.511
  448   1HD   LYS  63          HD2       LYS  63  -1.496  -1.009  10.105
  449   2HD   LYS  63          HD1       LYS  63  -1.574  -2.771  10.127
  450   1HE   LYS  63          HE2       LYS  63  -3.871  -2.669  10.940
  451   2HE   LYS  63          HE1       LYS  63  -3.791  -0.907  10.972
  452   1HZ   LYS  63          HZ1       LYS  63  -3.485  -2.563   8.524
  453   2HZ   LYS  63          HZ2       LYS  63  -3.525  -0.875   8.595
  454   3HZ   LYS  63          HZ3       LYS  63  -4.911  -1.768   8.974
  455    H    LYS  64           HN       LYS  64   2.550  -4.330  12.843
  456    HA   LYS  64           HA       LYS  64   4.527  -3.135  11.087
  457   1HB   LYS  64          HB2       LYS  64   4.736  -4.817  13.566
  458   2HB   LYS  64          HB1       LYS  64   6.143  -4.503  12.560
  459   1HG   LYS  64          HG2       LYS  64   5.440  -2.015  12.825
  460   2HG   LYS  64          HG1       LYS  64   4.547  -2.615  14.225
  461   1HD   LYS  64          HD2       LYS  64   6.555  -3.487  15.207
  462   2HD   LYS  64          HD1       LYS  64   7.480  -3.121  13.748
  463   1HE   LYS  64          HE2       LYS  64   6.925  -0.702  14.121
  464   2HE   LYS  64          HE1       LYS  64   6.244  -1.166  15.681
  465   1HZ   LYS  64          HZ1       LYS  64   8.510  -0.407  15.930
  466   2HZ   LYS  64          HZ2       LYS  64   9.063  -1.558  14.817
  467   3HZ   LYS  64          HZ3       LYS  64   8.419  -2.060  16.302
  468    H    ARG  65           HN       ARG  65   2.796  -6.042  11.312
  469    HA   ARG  65           HA       ARG  65   4.634  -7.528   9.611
  470   1HB   ARG  65          HB2       ARG  65   2.139  -8.161  11.121
  471   2HB   ARG  65          HB1       ARG  65   2.525  -9.140   9.713
  472   1HG   ARG  65          HG2       ARG  65   4.517  -8.676  11.901
  473   2HG   ARG  65          HG1       ARG  65   3.321  -9.974  11.982
  474   1HD   ARG  65          HD2       ARG  65   4.150 -10.879   9.875
  475   2HD   ARG  65          HD1       ARG  65   5.322  -9.567   9.759
  476    HE   ARG  65           HE       ARG  65   6.627 -10.604  11.355
  477   1HH1  ARG  65          HH11      ARG  65   3.549 -12.275  11.071
  478   2HH1  ARG  65          HH12      ARG  65   4.095 -13.669  11.959
  479   1HH2  ARG  65          HH21      ARG  65   7.325 -12.431  12.514
  480   2HH2  ARG  65          HH22      ARG  65   6.235 -13.750  12.789
  481    H    VAL  66           HN       VAL  66   2.293  -5.222   9.256
  482    HA   VAL  66           HA       VAL  66   1.327  -6.144   6.665
  483    HB   VAL  66           HB       VAL  66   0.805  -3.508   8.060
  484   1HG1  VAL  66          HG11      VAL  66   0.431  -3.390   5.672
  485   2HG1  VAL  66          HG12      VAL  66  -1.114  -3.367   6.523
  486   3HG1  VAL  66          HG13      VAL  66  -0.567  -4.843   5.730
  487   1HG2  VAL  66          HG21      VAL  66  -0.887  -6.002   8.009
  488   2HG2  VAL  66          HG22      VAL  66  -1.367  -4.445   8.684
  489   3HG2  VAL  66          HG23      VAL  66  -0.036  -5.347   9.408
  490    H    ASN  67           HN       ASN  67   2.142  -5.437   4.752
  491    HA   ASN  67           HA       ASN  67   4.328  -3.473   4.937
  492   1HB   ASN  67          HB2       ASN  67   4.799  -5.843   4.072
  493   2HB   ASN  67          HB1       ASN  67   3.895  -5.373   2.635
  494   1HD2  ASN  67          HD21      ASN  67   6.709  -6.108   2.947
  495   2HD2  ASN  67          HD22      ASN  67   7.613  -4.770   2.325
  496    H    PHE  68           HN       PHE  68   3.475  -1.543   4.557
  497    HA   PHE  68           HA       PHE  68   1.323  -1.076   2.734
  498   1HB   PHE  68          HB2       PHE  68   3.198   0.788   4.202
  499   2HB   PHE  68          HB1       PHE  68   1.922   1.362   3.136
  500    HD1  PHE  68           HD1      PHE  68   2.471  -0.752   6.157
  501    HD2  PHE  68           HD2      PHE  68  -0.188   1.754   3.976
  502    HE1  PHE  68           HE1      PHE  68   0.882  -0.813   8.034
  503    HE2  PHE  68           HE2      PHE  68  -1.784   1.696   5.847
  504    HZ   PHE  68           HZ       PHE  68  -1.252   0.412   7.880
  505    H    VAL  69           HN       VAL  69   1.787  -1.602   0.666
  506    HA   VAL  69           HA       VAL  69   4.203  -0.419  -0.527
  507    HB   VAL  69           HB       VAL  69   4.052  -2.184  -2.260
  508   1HG1  VAL  69          HG11      VAL  69   5.542  -2.474  -0.357
  509   2HG1  VAL  69          HG12      VAL  69   4.874  -4.022  -0.875
  510   3HG1  VAL  69          HG13      VAL  69   4.238  -3.224   0.564
  511   1HG2  VAL  69          HG21      VAL  69   1.674  -2.675  -2.108
  512   2HG2  VAL  69          HG22      VAL  69   1.897  -3.330  -0.486
  513   3HG2  VAL  69          HG23      VAL  69   2.625  -4.141  -1.871
  514    H    ILE  70           HN       ILE  70   3.885  -0.269  -3.015
  515    HA   ILE  70           HA       ILE  70   1.407   1.235  -3.457
  516    HB   ILE  70           HB       ILE  70   3.922   1.272  -5.137
  517   1HG1  ILE  70          HG12      ILE  70   3.039   3.286  -3.059
  518   2HG1  ILE  70          HG11      ILE  70   4.281   2.069  -2.789
  519   1HG2  ILE  70          HG21      ILE  70   2.976   3.355  -6.031
  520   2HG2  ILE  70          HG22      ILE  70   1.535   3.117  -5.043
  521   3HG2  ILE  70          HG23      ILE  70   1.922   1.973  -6.329
  522   1HD1  ILE  70          HD11      ILE  70   5.643   3.057  -4.545
  523   2HD1  ILE  70          HD12      ILE  70   5.246   4.240  -3.298
  524   3HD1  ILE  70          HD13      ILE  70   4.393   4.265  -4.843
  525    H    SER  71           HN       SER  71   0.282  -0.819  -3.701
  526    HA   SER  71           HA       SER  71  -0.667  -2.517  -4.895
  527   1HB   SER  71          HB2       SER  71  -1.017  -0.607  -6.497
  528   2HB   SER  71          HB1       SER  71   0.474  -1.073  -7.310
  529    HG   SER  71           HG       SER  71  -0.989  -2.147  -8.449
  530    H    ASP  72           HN       ASP  72   0.173  -3.888  -7.209
  531    HA   ASP  72           HA       ASP  72   2.669  -5.112  -6.343
  532   1HB   ASP  72          HB2       ASP  72   2.255  -6.818  -7.968
  533   2HB   ASP  72          HB1       ASP  72   0.704  -6.472  -7.215
  534    H    GLN  73           HN       GLN  73   1.325  -3.261  -8.968
  535    HA   GLN  73           HA       GLN  73   3.893  -2.069  -9.592
  536   1HB   GLN  73          HB2       GLN  73   2.230  -3.540 -11.659
  537   2HB   GLN  73          HB1       GLN  73   3.546  -2.443 -12.045
  538   1HG   GLN  73          HG2       GLN  73   5.160  -3.904 -11.164
  539   2HG   GLN  73          HG1       GLN  73   3.941  -4.883 -10.349
  540   1HE2  GLN  73          HE21      GLN  73   2.678  -6.284 -11.535
  541   2HE2  GLN  73          HE22      GLN  73   3.130  -6.814 -13.123
  542    H    LEU  74           HN       LEU  74   3.566   0.067 -10.143
  543    HA   LEU  74           HA       LEU  74   0.777   0.845 -10.669
  544   1HB   LEU  74          HB2       LEU  74   1.696   1.714  -8.532
  545   2HB   LEU  74          HB1       LEU  74   2.944   2.553  -9.438
  546    HG   LEU  74           HG       LEU  74   1.176   3.867 -10.587
  547   1HD1  LEU  74          HD11      LEU  74  -0.662   2.496  -8.634
  548   2HD1  LEU  74          HD12      LEU  74  -0.658   2.285 -10.385
  549   3HD1  LEU  74          HD13      LEU  74  -1.096   3.844  -9.684
  550   1HD2  LEU  74          HD21      LEU  74   1.143   3.998  -7.577
  551   2HD2  LEU  74          HD22      LEU  74   0.607   5.278  -8.666
  552   3HD2  LEU  74          HD23      LEU  74   2.301   4.790  -8.645
  553    H    GLU  75           HN       GLU  75   0.927   0.589 -12.873
  554    HA   GLU  75           HA       GLU  75   2.680   2.517 -14.243
  555   1HB   GLU  75          HB2       GLU  75   1.896   0.925 -16.261
  556   2HB   GLU  75          HB1       GLU  75   3.331   0.615 -15.296
  557   1HG   GLU  75          HG2       GLU  75   2.019  -1.407 -15.627
  558   2HG   GLU  75          HG1       GLU  75   2.095  -0.965 -13.926
  559    H    HIS  76           HN       HIS  76  -0.508   1.664 -13.493
  560    HA   HIS  76           HA       HIS  76  -2.528   2.592 -13.913
  561   1HB   HIS  76          HB2       HIS  76  -1.172   4.774 -13.834
  562   2HB   HIS  76          HB1       HIS  76  -1.199   4.721 -15.592
  563    HD1  HIS  76           HD1      HIS  76  -2.990   6.100 -12.831
  564    HD2  HIS  76           HD2      HIS  76  -4.060   4.577 -16.558
  565    HE1  HIS  76           HE1      HIS  76  -5.292   6.996 -13.301
  566    HE2  HIS  76           HE2      HIS  76  -5.825   6.243 -15.645
  567    H    HIS  77           HN       HIS  77  -3.739   1.363 -15.149
  568    HA   HIS  77           HA       HIS  77  -2.734   0.252 -17.562
  569   1HB   HIS  77          HB2       HIS  77  -5.362   0.024 -16.124
  570   2HB   HIS  77          HB1       HIS  77  -5.092  -0.752 -17.683
  571    HD1  HIS  77           HD1      HIS  77  -3.521  -2.766 -17.753
  572    HD2  HIS  77           HD2      HIS  77  -3.964  -1.118 -13.964
  573    HE1  HIS  77           HE1      HIS  77  -2.506  -4.437 -16.167
  574    HE2  HIS  77           HE2      HIS  77  -2.924  -3.491 -13.869
  575    H    HIS  78           HN       HIS  78  -3.948   0.172 -19.595
  576    HA   HIS  78           HA       HIS  78  -4.185   2.756 -20.672
  577   1HB   HIS  78          HB2       HIS  78  -4.899   0.036 -21.749
  578   2HB   HIS  78          HB1       HIS  78  -5.163   1.505 -22.684
  579    HD1  HIS  78           HD1      HIS  78  -2.709  -1.055 -22.176
  580    HD2  HIS  78           HD2      HIS  78  -2.596   3.040 -22.924
  581    HE1  HIS  78           HE1      HIS  78  -0.393  -0.581 -23.038
  582    HE2  HIS  78           HE2      HIS  78  -0.311   1.919 -23.369
  583    H    HIS  79           HN       HIS  79  -5.691   4.105 -20.118
  584    HA   HIS  79           HA       HIS  79  -8.473   3.513 -20.633
  585   1HB   HIS  79          HB2       HIS  79  -8.126   2.670 -18.303
  586   2HB   HIS  79          HB1       HIS  79  -7.597   4.279 -17.827
  587    HD1  HIS  79           HD1      HIS  79  -9.419   5.184 -16.398
  588    HD2  HIS  79           HD2      HIS  79 -10.894   3.268 -19.785
  589    HE1  HIS  79           HE1      HIS  79 -11.902   5.563 -16.368
  590    HE2  HIS  79           HE2      HIS  79 -12.749   4.531 -18.502
  591    H    HIS  80           HN       HIS  80  -6.177   5.286 -21.370
  592    HA   HIS  80           HA       HIS  80  -5.742   7.417 -21.980
  593   1HB   HIS  80          HB2       HIS  80  -8.593   7.973 -21.130
  594   2HB   HIS  80          HB1       HIS  80  -7.544   9.145 -21.914
  595    HD1  HIS  80           HD1      HIS  80 -10.311   7.876 -22.985
  596    HD2  HIS  80           HD2      HIS  80  -6.452   6.981 -24.264
  597    HE1  HIS  80           HE1      HIS  80 -10.558   6.982 -25.320
  598    HE2  HIS  80           HE2      HIS  80  -8.243   6.266 -25.999
  599    H    HIS  81           HN       HIS  81  -7.943   8.098 -19.277
  600    HA   HIS  81           HA       HIS  81  -5.621   8.812 -17.631
  601   1HB   HIS  81          HB2       HIS  81  -8.069  10.541 -18.055
  602   2HB   HIS  81          HB1       HIS  81  -6.878  10.809 -16.788
  603    HD1  HIS  81           HD1      HIS  81  -4.600  11.792 -17.476
  604    HD2  HIS  81           HD2      HIS  81  -7.245  11.237 -20.644
  605    HE1  HIS  81           HE1      HIS  81  -3.608  13.042 -19.423
  606    HE2  HIS  81           HE2      HIS  81  -5.267  12.770 -21.305
  Start of MODEL   19
    1   1H    MET   1          HT1       MET   1  10.838   0.275   6.078
    2   2H    MET   1          HT2       MET   1  11.625   0.478   7.564
    3   3H    MET   1          HT3       MET   1  11.941  -0.889   6.615
    4    HA   MET   1           HA       MET   1  13.697   0.831   6.554
    5   1HB   MET   1          HB2       MET   1  13.331  -0.864   4.744
    6   2HB   MET   1          HB1       MET   1  12.348   0.320   3.893
    7   1HG   MET   1          HG2       MET   1  14.559   0.267   2.953
    8   2HG   MET   1          HG1       MET   1  14.296   1.812   3.760
    9   1HE   MET   1          HE1       MET   1  18.132   1.110   4.295
   10   2HE   MET   1          HE2       MET   1  16.938   2.241   3.656
   11   3HE   MET   1          HE3       MET   1  17.171   0.673   2.883
   12    H    GLU   2           HN       GLU   2  11.641   1.887   3.905
   13    HA   GLU   2           HA       GLU   2  10.559   4.206   4.990
   14   1HB   GLU   2          HB2       GLU   2  12.955   4.907   5.228
   15   2HB   GLU   2          HB1       GLU   2  13.128   4.779   3.484
   16   1HG   GLU   2          HG2       GLU   2  12.798   7.088   4.235
   17   2HG   GLU   2          HG1       GLU   2  11.524   6.542   3.145
   18    H    ILE   3           HN       ILE   3   9.333   5.337   3.469
   19    HA   ILE   3           HA       ILE   3   9.283   4.151   0.786
   20    HB   ILE   3           HB       ILE   3   7.152   5.464   0.509
   21   1HG1  ILE   3          HG12      ILE   3   7.441   5.867   3.497
   22   2HG1  ILE   3          HG11      ILE   3   7.573   7.135   2.284
   23   1HG2  ILE   3          HG21      ILE   3   7.125   3.094   1.009
   24   2HG2  ILE   3          HG22      ILE   3   5.805   3.907   1.850
   25   3HG2  ILE   3          HG23      ILE   3   7.255   3.432   2.735
   26   1HD1  ILE   3          HD11      ILE   3   5.247   6.780   1.654
   27   2HD1  ILE   3          HD12      ILE   3   5.399   7.159   3.371
   28   3HD1  ILE   3          HD13      ILE   3   5.116   5.496   2.856
   29    H    THR   4           HN       THR   4  10.119   5.207  -0.894
   30    HA   THR   4           HA       THR   4  10.453   8.098  -0.804
   31    HB   THR   4           HB       THR   4  12.819   6.254  -1.227
   32    HG1  THR   4           HG1      THR   4  11.690   7.077   1.045
   33   1HG2  THR   4          HG21      THR   4  12.648   9.259  -0.967
   34   2HG2  THR   4          HG22      THR   4  13.001   8.364  -2.445
   35   3HG2  THR   4          HG23      THR   4  14.138   8.322  -1.096
   36    H    CYS   5           HN       CYS   5  10.561   9.028  -2.827
   37    HA   CYS   5           HA       CYS   5   9.582   7.599  -5.050
   38   1HB   CYS   5          HB2       CYS   5   9.396  10.095  -4.610
   39   2HB   CYS   5          HB1       CYS   5  11.076  10.231  -5.115
   40    HA   PRO   6           HA       PRO   6  13.298   5.519  -6.157
   41   1HB   PRO   6          HB2       PRO   6  12.624   4.709  -8.664
   42   2HB   PRO   6          HB1       PRO   6  11.963   3.978  -7.198
   43   1HG   PRO   6          HG2       PRO   6  10.754   6.049  -8.992
   44   2HG   PRO   6          HG1       PRO   6   9.996   4.619  -8.265
   45   1HD   PRO   6          HD2       PRO   6   9.674   7.095  -7.240
   46   2HD   PRO   6          HD1       PRO   6   9.731   5.648  -6.214
   47    H    VAL   7           HN       VAL   7  12.530   8.468  -7.387
   48    HA   VAL   7           HA       VAL   7  15.046   8.625  -8.874
   49    HB   VAL   7           HB       VAL   7  13.973  10.168 -10.525
   50   1HG1  VAL   7          HG11      VAL   7  14.437   7.857 -11.125
   51   2HG1  VAL   7          HG12      VAL   7  12.945   8.410 -11.886
   52   3HG1  VAL   7          HG13      VAL   7  12.877   7.360 -10.471
   53   1HG2  VAL   7          HG21      VAL   7  12.000  10.783  -9.242
   54   2HG2  VAL   7          HG22      VAL   7  11.408   9.124  -9.328
   55   3HG2  VAL   7          HG23      VAL   7  11.539  10.092 -10.797
   56    H    CYS   8           HN       CYS   8  13.317   9.572  -6.348
   57    HA   CYS   8           HA       CYS   8  14.545  12.230  -6.266
   58   1HB   CYS   8          HB2       CYS   8  11.757  11.608  -5.266
   59   2HB   CYS   8          HB1       CYS   8  12.568  13.168  -5.201
   60    H    HIS   9           HN       HIS   9  16.154  11.061  -5.089
   61    HA   HIS   9           HA       HIS   9  15.751   9.757  -2.655
   62   1HB   HIS   9          HB2       HIS   9  17.898   9.718  -3.856
   63   2HB   HIS   9          HB1       HIS   9  18.139  11.423  -3.488
   64    HD1  HIS   9           HD1      HIS   9  19.617  11.812  -1.551
   65    HD2  HIS   9           HD2      HIS   9  17.613   8.174  -1.266
   66    HE1  HIS   9           HE1      HIS   9  20.443  10.745   0.573
   67    HE2  HIS   9           HE2      HIS   9  19.070   8.645   0.827
   68    H    HIS  10           HN       HIS  10  14.196  10.820  -1.513
   69    HA   HIS  10           HA       HIS  10  15.158  12.958   0.202
   70   1HB   HIS  10          HB2       HIS  10  12.973  13.256  -1.789
   71   2HB   HIS  10          HB1       HIS  10  12.622  13.853  -0.174
   72    HD1  HIS  10           HD1      HIS  10  15.014  14.429  -3.058
   73    HD2  HIS  10           HD2      HIS  10  13.771  16.252   0.467
   74    HE1  HIS  10           HE1      HIS  10  15.958  16.755  -3.130
   75    HE2  HIS  10           HE2      HIS  10  15.385  17.751  -0.886
   76    H    ALA  11           HN       ALA  11  11.851  12.051  -0.306
   77    HA   ALA  11           HA       ALA  11  11.559   9.777   1.232
   78   1HB   ALA  11          HB1       ALA  11  11.031  12.286   2.840
   79   2HB   ALA  11          HB2       ALA  11  12.316  11.118   3.148
   80   3HB   ALA  11          HB3       ALA  11  10.629  10.640   3.331
   81    H    LEU  12           HN       LEU  12   9.142   9.575   1.919
   82    HA   LEU  12           HA       LEU  12   7.510  11.238   0.125
   83   1HB   LEU  12          HB2       LEU  12   7.141   8.340   0.873
   84   2HB   LEU  12          HB1       LEU  12   5.927   9.292   0.040
   85    HG   LEU  12           HG       LEU  12   8.678   8.629  -1.010
   86   1HD1  LEU  12          HD11      LEU  12   5.948   7.653  -1.840
   87   2HD1  LEU  12          HD12      LEU  12   7.175   6.710  -0.992
   88   3HD1  LEU  12          HD13      LEU  12   7.472   7.266  -2.640
   89   1HD2  LEU  12          HD21      LEU  12   7.922   9.656  -3.086
   90   2HD2  LEU  12          HD22      LEU  12   7.924  10.822  -1.763
   91   3HD2  LEU  12          HD23      LEU  12   6.404  10.116  -2.314
   92    H    GLU  13           HN       GLU  13   5.947  12.372   1.029
   93    HA   GLU  13           HA       GLU  13   5.538  12.331   3.864
   94   1HB   GLU  13          HB2       GLU  13   3.481  13.661   2.224
   95   2HB   GLU  13          HB1       GLU  13   4.438  14.299   3.551
   96   1HG   GLU  13          HG2       GLU  13   5.454  13.949   0.740
   97   2HG   GLU  13          HG1       GLU  13   4.784  15.447   1.378
   98    H    ARG  14           HN       ARG  14   4.397  10.735   4.809
   99    HA   ARG  14           HA       ARG  14   2.446   9.285   3.233
  100   1HB   ARG  14          HB2       ARG  14   2.336   7.725   5.106
  101   2HB   ARG  14          HB1       ARG  14   4.000   8.013   4.628
  102   1HG   ARG  14          HG2       ARG  14   3.712   9.858   6.587
  103   2HG   ARG  14          HG1       ARG  14   2.626   8.588   7.156
  104   1HD   ARG  14          HD2       ARG  14   4.764   8.139   8.088
  105   2HD   ARG  14          HD1       ARG  14   4.512   6.962   6.796
  106    HE   ARG  14           HE       ARG  14   5.950   9.401   6.102
  107   1HH1  ARG  14          HH11      ARG  14   6.145   5.997   6.963
  108   2HH1  ARG  14          HH12      ARG  14   7.751   5.814   6.322
  109   1HH2  ARG  14          HH21      ARG  14   8.030   9.136   5.247
  110   2HH2  ARG  14          HH22      ARG  14   8.821   7.584   5.345
  111    H    ASN  15           HN       ASN  15   0.487  10.037   3.034
  112    HA   ASN  15           HA       ASN  15  -0.646  11.825   5.024
  113   1HB   ASN  15          HB2       ASN  15  -1.950  10.769   2.505
  114   2HB   ASN  15          HB1       ASN  15  -2.446  12.167   3.450
  115   1HD2  ASN  15          HD21      ASN  15  -1.175  14.066   3.359
  116   2HD2  ASN  15          HD22      ASN  15  -0.104  14.351   2.033
  117    H    GLY  16           HN       GLY  16  -0.263   8.691   5.075
  118   1HA   GLY  16          HA2       GLY  16  -1.316   7.163   6.512
  119   2HA   GLY  16          HA1       GLY  16  -2.740   8.196   6.527
  120    H    ASP  17           HN       ASP  17  -3.391   8.497   3.973
  121    HA   ASP  17           HA       ASP  17  -4.164   5.805   3.142
  122   1HB   ASP  17          HB2       ASP  17  -5.968   7.405   3.310
  123   2HB   ASP  17          HB1       ASP  17  -5.103   8.553   2.293
  124    H    THR  18           HN       THR  18  -2.533   8.680   1.893
  125    HA   THR  18           HA       THR  18  -1.527   7.065  -0.355
  126    HB   THR  18           HB       THR  18  -1.815  10.003  -0.723
  127    HG1  THR  18           HG1      THR  18  -3.982   8.224  -0.385
  128   1HG2  THR  18          HG21      THR  18  -0.875   8.574  -2.476
  129   2HG2  THR  18          HG22      THR  18  -2.388   9.312  -3.002
  130   3HG2  THR  18          HG23      THR  18  -2.359   7.622  -2.499
  131    H    ALA  19           HN       ALA  19   0.553   7.894  -1.252
  132    HA   ALA  19           HA       ALA  19   2.148   9.351   0.762
  133   1HB   ALA  19          HB1       ALA  19   4.122   8.269  -0.197
  134   2HB   ALA  19          HB2       ALA  19   3.102   7.431  -1.366
  135   3HB   ALA  19          HB3       ALA  19   2.951   7.072   0.354
  136    H    HIS  20           HN       HIS  20   3.226  11.197   0.130
  137    HA   HIS  20           HA       HIS  20   2.739  12.070  -2.648
  138   1HB   HIS  20          HB2       HIS  20   1.330  13.199  -0.904
  139   2HB   HIS  20          HB1       HIS  20   2.808  13.823  -0.184
  140    HD1  HIS  20           HD1      HIS  20   0.674  14.133  -3.277
  141    HD2  HIS  20           HD2      HIS  20   3.833  16.085  -1.386
  142    HE1  HIS  20           HE1      HIS  20   0.965  16.318  -4.503
  143    HE2  HIS  20           HE2      HIS  20   2.975  17.415  -3.436
  144    H    CYS  21           HN       CYS  21   4.422  12.980  -3.764
  145    HA   CYS  21           HA       CYS  21   7.013  13.143  -2.386
  146   1HB   CYS  21          HB2       CYS  21   6.733  11.824  -4.558
  147   2HB   CYS  21          HB1       CYS  21   6.496  13.372  -5.366
  148    H    GLU  22           HN       GLU  22   8.014  15.103  -2.069
  149    HA   GLU  22           HA       GLU  22   6.495  17.484  -2.562
  150   1HB   GLU  22          HB2       GLU  22   9.123  16.903  -1.266
  151   2HB   GLU  22          HB1       GLU  22   8.732  18.559  -1.707
  152   1HG   GLU  22          HG2       GLU  22   7.137  16.774   0.115
  153   2HG   GLU  22          HG1       GLU  22   8.156  18.131   0.598
  154    H    THR  23           HN       THR  23   8.849  15.772  -4.347
  155    HA   THR  23           HA       THR  23   9.743  18.106  -5.822
  156    HB   THR  23           HB       THR  23  11.092  16.563  -7.149
  157    HG1  THR  23           HG1      THR  23   9.993  14.448  -5.575
  158   1HG2  THR  23          HG21      THR  23  12.516  15.649  -5.375
  159   2HG2  THR  23          HG22      THR  23  11.227  15.922  -4.202
  160   3HG2  THR  23          HG23      THR  23  11.999  17.292  -5.001
  161    H    CYS  24           HN       CYS  24   7.849  15.177  -6.458
  162    HA   CYS  24           HA       CYS  24   6.657  16.543  -8.771
  163   1HB   CYS  24          HB2       CYS  24   6.238  13.869  -9.254
  164   2HB   CYS  24          HB1       CYS  24   7.525  14.838  -9.968
  165    H    ALA  25           HN       ALA  25   4.463  16.409  -9.007
  166    HA   ALA  25           HA       ALA  25   3.064  16.118  -6.501
  167   1HB   ALA  25          HB1       ALA  25   2.051  16.996  -9.201
  168   2HB   ALA  25          HB2       ALA  25   2.686  18.056  -7.943
  169   3HB   ALA  25          HB3       ALA  25   1.196  17.154  -7.666
  170    H    LYS  26           HN       LYS  26   3.984  13.655  -7.684
  171    HA   LYS  26           HA       LYS  26   1.505  12.358  -8.523
  172   1HB   LYS  26          HB2       LYS  26   3.518  11.785  -9.801
  173   2HB   LYS  26          HB1       LYS  26   4.323  11.265  -8.325
  174   1HG   LYS  26          HG2       LYS  26   2.714   9.470  -8.049
  175   2HG   LYS  26          HG1       LYS  26   1.843  10.007  -9.484
  176   1HD   LYS  26          HD2       LYS  26   3.802   9.514 -10.860
  177   2HD   LYS  26          HD1       LYS  26   4.691   9.004  -9.423
  178   1HE   LYS  26          HE2       LYS  26   3.098   7.205  -9.047
  179   2HE   LYS  26          HE1       LYS  26   2.143   7.737 -10.429
  180   1HZ   LYS  26          HZ1       LYS  26   3.528   5.851 -10.995
  181   2HZ   LYS  26          HZ2       LYS  26   4.929   6.699 -10.541
  182   3HZ   LYS  26          HZ3       LYS  26   4.015   7.222 -11.874
  183    H    ASP  27           HN       ASP  27   0.293  11.246  -7.152
  184    HA   ASP  27           HA       ASP  27   1.339  10.775  -4.454
  185   1HB   ASP  27          HB2       ASP  27  -1.511  10.642  -5.478
  186   2HB   ASP  27          HB1       ASP  27  -1.014  10.403  -3.807
  187    H    PHE  28           HN       PHE  28   1.648   8.788  -3.684
  188    HA   PHE  28           HA       PHE  28   1.327   6.588  -5.592
  189   1HB   PHE  28          HB2       PHE  28   2.996   6.806  -3.078
  190   2HB   PHE  28          HB1       PHE  28   2.960   5.409  -4.147
  191    HD1  PHE  28           HD1      PHE  28   3.836   5.626  -6.469
  192    HD2  PHE  28           HD2      PHE  28   4.333   8.689  -3.554
  193    HE1  PHE  28           HE1      PHE  28   5.647   6.607  -7.812
  194    HE2  PHE  28           HE2      PHE  28   6.144   9.677  -4.896
  195    HZ   PHE  28           HZ       PHE  28   6.804   8.633  -7.026
  196    H    SER  29           HN       SER  29  -0.392   5.355  -5.345
  197    HA   SER  29           HA       SER  29  -1.987   5.268  -3.016
  198   1HB   SER  29          HB2       SER  29  -1.874   3.267  -5.291
  199   2HB   SER  29          HB1       SER  29  -3.211   3.505  -4.164
  200    HG   SER  29           HG       SER  29  -3.349   5.677  -5.009
  201    H    LEU  30           HN       LEU  30  -1.579   4.233  -1.171
  202    HA   LEU  30           HA       LEU  30   0.485   2.154  -1.181
  203   1HB   LEU  30          HB2       LEU  30  -0.704   3.737   1.103
  204   2HB   LEU  30          HB1       LEU  30   0.545   2.518   1.271
  205    HG   LEU  30           HG       LEU  30   0.822   5.118  -0.243
  206   1HD1  LEU  30          HD11      LEU  30   0.722   5.443   2.169
  207   2HD1  LEU  30          HD12      LEU  30   2.350   5.742   1.557
  208   3HD1  LEU  30          HD13      LEU  30   1.984   4.231   2.393
  209   1HD2  LEU  30          HD21      LEU  30   2.856   2.970   0.353
  210   2HD2  LEU  30          HD22      LEU  30   3.182   4.520  -0.425
  211   3HD2  LEU  30          HD23      LEU  30   2.160   3.326  -1.227
  212    H    GLN  31           HN       GLN  31  -0.072   0.097  -0.978
  213    HA   GLN  31           HA       GLN  31  -2.743  -0.502   0.105
  214   1HB   GLN  31          HB2       GLN  31  -1.074  -2.022  -1.900
  215   2HB   GLN  31          HB1       GLN  31  -2.509  -2.692  -1.134
  216   1HG   GLN  31          HG2       GLN  31  -3.800  -0.769  -2.051
  217   2HG   GLN  31          HG1       GLN  31  -2.356  -0.304  -2.949
  218   1HE2  GLN  31          HE21      GLN  31  -4.997  -1.126  -3.893
  219   2HE2  GLN  31          HE22      GLN  31  -4.722  -2.478  -4.933
  220    H    ALA  32           HN       ALA  32  -2.766  -1.346   2.028
  221    HA   ALA  32           HA       ALA  32  -0.421  -2.441   3.263
  222   1HB   ALA  32          HB1       ALA  32  -3.283  -2.157   4.167
  223   2HB   ALA  32          HB2       ALA  32  -1.896  -1.187   4.651
  224   3HB   ALA  32          HB3       ALA  32  -2.019  -2.869   5.161
  225    H    LEU  33           HN       LEU  33   0.186  -4.309   2.219
  226    HA   LEU  33           HA       LEU  33  -1.837  -6.361   1.732
  227   1HB   LEU  33          HB2       LEU  33  -0.003  -5.620   0.057
  228   2HB   LEU  33          HB1       LEU  33   1.077  -6.588   1.041
  229    HG   LEU  33           HG       LEU  33  -0.353  -8.566   0.606
  230   1HD1  LEU  33          HD11      LEU  33  -2.453  -7.416   0.162
  231   2HD1  LEU  33          HD12      LEU  33  -2.005  -8.440  -1.202
  232   3HD1  LEU  33          HD13      LEU  33  -1.766  -6.694  -1.293
  233   1HD2  LEU  33          HD21      LEU  33   0.404  -8.885  -1.684
  234   2HD2  LEU  33          HD22      LEU  33   1.650  -8.091  -0.723
  235   3HD2  LEU  33          HD23      LEU  33   0.673  -7.151  -1.851
  236    H    CYS  34           HN       CYS  34  -1.705  -8.443   2.584
  237    HA   CYS  34           HA       CYS  34  -0.139  -8.649   5.039
  238   1HB   CYS  34          HB2       CYS  34  -2.571  -9.128   5.152
  239   2HB   CYS  34          HB1       CYS  34  -2.353 -10.436   3.994
  240    HA   PRO  35           HA       PRO  35   2.894 -11.030   2.746
  241   1HB   PRO  35          HB2       PRO  35   3.825 -11.573   5.510
  242   2HB   PRO  35          HB1       PRO  35   4.712 -10.906   4.135
  243   1HG   PRO  35          HG2       PRO  35   3.962  -9.349   6.170
  244   2HG   PRO  35          HG1       PRO  35   3.922  -8.758   4.497
  245   1HD   PRO  35          HD2       PRO  35   1.667  -9.696   6.231
  246   2HD   PRO  35          HD1       PRO  35   1.715  -8.343   5.083
  247    H    ASP  36           HN       ASP  36   3.062 -13.142   2.242
  248    HA   ASP  36           HA       ASP  36   2.744 -15.399   2.229
  249   1HB   ASP  36          HB2       ASP  36   3.465 -15.489   4.573
  250   2HB   ASP  36          HB1       ASP  36   1.835 -15.082   5.099
  251    H    CYS  37           HN       CYS  37   0.250 -13.355   3.500
  252    HA   CYS  37           HA       CYS  37  -1.924 -15.060   2.746
  253   1HB   CYS  37          HB2       CYS  37  -2.225 -13.552   4.589
  254   2HB   CYS  37          HB1       CYS  37  -1.738 -12.172   3.616
  255    H    ARG  38           HN       ARG  38  -1.404 -11.712   1.719
  256    HA   ARG  38           HA       ARG  38  -1.993 -10.602  -0.164
  257   1HB   ARG  38          HB2       ARG  38   0.103 -11.738  -0.887
  258   2HB   ARG  38          HB1       ARG  38  -0.874 -13.033  -1.577
  259   1HG   ARG  38          HG2       ARG  38  -1.964 -11.318  -3.032
  260   2HG   ARG  38          HG1       ARG  38  -0.796 -10.147  -2.424
  261   1HD   ARG  38          HD2       ARG  38   0.087 -10.917  -4.461
  262   2HD   ARG  38          HD1       ARG  38   1.002 -11.752  -3.207
  263    HE   ARG  38           HE       ARG  38  -1.230 -13.298  -4.042
  264   1HH1  ARG  38          HH11      ARG  38   2.013 -12.358  -4.970
  265   2HH1  ARG  38          HH12      ARG  38   2.250 -13.732  -6.012
  266   1HH2  ARG  38          HH21      ARG  38  -0.932 -15.091  -5.408
  267   2HH2  ARG  38          HH22      ARG  38   0.567 -15.292  -6.264
  268    H    GLN  39           HN       GLN  39  -3.865 -12.638   1.010
  269    HA   GLN  39           HA       GLN  39  -5.563 -13.400  -1.190
  270   1HB   GLN  39          HB2       GLN  39  -6.062 -13.353   1.801
  271   2HB   GLN  39          HB1       GLN  39  -7.131 -14.082   0.611
  272   1HG   GLN  39          HG2       GLN  39  -5.448 -15.710   0.035
  273   2HG   GLN  39          HG1       GLN  39  -4.290 -14.939   1.119
  274   1HE2  GLN  39          HE21      GLN  39  -7.677 -15.342   1.883
  275   2HE2  GLN  39          HE22      GLN  39  -7.453 -16.506   3.147
  276    HA   PRO  40           HA       PRO  40  -8.128  -9.775  -1.418
  277   1HB   PRO  40          HB2       PRO  40 -10.657 -10.537  -0.624
  278   2HB   PRO  40          HB1       PRO  40  -9.985 -10.803  -2.236
  279   1HG   PRO  40          HG2       PRO  40 -10.180 -12.691   0.072
  280   2HG   PRO  40          HG1       PRO  40 -10.444 -12.998  -1.655
  281   1HD   PRO  40          HD2       PRO  40  -8.169 -13.726  -0.431
  282   2HD   PRO  40          HD1       PRO  40  -8.175 -13.138  -2.107
  283    H    LEU  41           HN       LEU  41  -6.847  -8.948   0.472
  284    HA   LEU  41           HA       LEU  41  -7.992  -8.747   3.034
  285   1HB   LEU  41          HB2       LEU  41  -6.120  -6.979   1.482
  286   2HB   LEU  41          HB1       LEU  41  -6.765  -6.439   3.017
  287    HG   LEU  41           HG       LEU  41  -5.801  -8.769   3.845
  288   1HD1  LEU  41          HD11      LEU  41  -3.625  -9.215   2.751
  289   2HD1  LEU  41          HD12      LEU  41  -4.093  -8.112   1.454
  290   3HD1  LEU  41          HD13      LEU  41  -5.018  -9.589   1.730
  291   1HD2  LEU  41          HD21      LEU  41  -5.197  -6.598   4.738
  292   2HD2  LEU  41          HD22      LEU  41  -4.136  -6.307   3.359
  293   3HD2  LEU  41          HD23      LEU  41  -3.758  -7.591   4.507
  294    H    GLN  42           HN       GLN  42  -9.742  -7.675   3.735
  295    HA   GLN  42           HA       GLN  42 -11.530  -6.517   1.889
  296   1HB   GLN  42          HB2       GLN  42 -11.471  -6.566   4.903
  297   2HB   GLN  42          HB1       GLN  42 -12.717  -5.699   4.022
  298   1HG   GLN  42          HG2       GLN  42 -13.641  -7.781   4.584
  299   2HG   GLN  42          HG1       GLN  42 -13.256  -7.869   2.868
  300   1HE2  GLN  42          HE21      GLN  42 -10.811  -8.085   5.330
  301   2HE2  GLN  42          HE22      GLN  42 -10.451  -9.764   5.103
  302    H    VAL  43           HN       VAL  43 -11.546  -4.551   1.062
  303    HA   VAL  43           HA       VAL  43  -9.738  -2.531   1.988
  304    HB   VAL  43           HB       VAL  43 -11.980  -2.223  -0.019
  305   1HG1  VAL  43          HG11      VAL  43 -10.640  -0.359  -0.867
  306   2HG1  VAL  43          HG12      VAL  43  -9.457  -0.625   0.412
  307   3HG1  VAL  43          HG13      VAL  43 -11.095  -0.111   0.819
  308   1HG2  VAL  43          HG21      VAL  43 -10.288  -2.638  -1.745
  309   2HG2  VAL  43          HG22      VAL  43 -10.509  -4.041  -0.700
  310   3HG2  VAL  43          HG23      VAL  43  -9.102  -2.999  -0.490
  311    H    LEU  44           HN       LEU  44 -10.300  -2.008   4.047
  312    HA   LEU  44           HA       LEU  44 -12.982  -1.483   4.859
  313   1HB   LEU  44          HB2       LEU  44 -10.382  -0.749   6.214
  314   2HB   LEU  44          HB1       LEU  44 -11.966  -0.775   6.966
  315    HG   LEU  44           HG       LEU  44 -10.538  -3.210   5.865
  316   1HD1  LEU  44          HD11      LEU  44 -10.957  -2.327   8.722
  317   2HD1  LEU  44          HD12      LEU  44  -9.425  -2.300   7.848
  318   3HD1  LEU  44          HD13      LEU  44 -10.214  -3.839   8.196
  319   1HD2  LEU  44          HD21      LEU  44 -12.969  -3.404   5.773
  320   2HD2  LEU  44          HD22      LEU  44 -13.079  -2.956   7.476
  321   3HD2  LEU  44          HD23      LEU  44 -12.293  -4.464   7.010
  322    H    LYS  45           HN       LYS  45 -14.024   0.168   3.992
  323    HA   LYS  45           HA       LYS  45 -12.545   2.588   3.262
  324   1HB   LYS  45          HB2       LYS  45 -15.331   1.671   2.527
  325   2HB   LYS  45          HB1       LYS  45 -14.542   3.120   1.916
  326   1HG   LYS  45          HG2       LYS  45 -12.992   1.887   0.667
  327   2HG   LYS  45          HG1       LYS  45 -13.345   0.396   1.542
  328   1HD   LYS  45          HD2       LYS  45 -15.232   1.839  -0.319
  329   2HD   LYS  45          HD1       LYS  45 -14.327   0.372  -0.699
  330   1HE   LYS  45          HE2       LYS  45 -15.477  -0.766   1.177
  331   2HE   LYS  45          HE1       LYS  45 -16.447   0.685   1.421
  332   1HZ   LYS  45          HZ1       LYS  45 -17.691  -0.859   0.131
  333   2HZ   LYS  45          HZ2       LYS  45 -16.425  -1.066  -0.972
  334   3HZ   LYS  45          HZ3       LYS  45 -17.241   0.419  -0.893
  335    H    ALA  46           HN       ALA  46 -12.635   4.315   4.505
  336    HA   ALA  46           HA       ALA  46 -15.046   4.758   6.144
  337   1HB   ALA  46          HB1       ALA  46 -13.072   4.316   7.532
  338   2HB   ALA  46          HB2       ALA  46 -13.633   5.977   7.729
  339   3HB   ALA  46          HB3       ALA  46 -12.215   5.635   6.736
  340    H    CYS  47           HN       CYS  47 -15.274   7.191   6.646
  341    HA   CYS  47           HA       CYS  47 -15.352   8.563   4.133
  342   1HB   CYS  47          HB2       CYS  47 -16.210  10.461   5.702
  343   2HB   CYS  47          HB1       CYS  47 -17.209   9.034   5.442
  344    HG   CYS  47           HG       CYS  47 -16.936   7.946   7.861
  345    H    GLY  48           HN       GLY  48 -13.307   8.964   3.431
  346   1HA   GLY  48          HA2       GLY  48 -11.922  11.113   3.571
  347   2HA   GLY  48          HA1       GLY  48 -11.549  10.544   5.192
  348    H    ALA  49           HN       ALA  49 -11.305   7.765   4.554
  349    HA   ALA  49           HA       ALA  49  -9.240   7.502   2.564
  350   1HB   ALA  49          HB1       ALA  49  -7.442   6.920   4.105
  351   2HB   ALA  49          HB2       ALA  49  -8.486   7.287   5.478
  352   3HB   ALA  49          HB3       ALA  49  -7.990   8.574   4.380
  353    H    VAL  50           HN       VAL  50  -8.257   5.248   2.655
  354    HA   VAL  50           HA       VAL  50 -10.228   3.336   3.745
  355    HB   VAL  50           HB       VAL  50  -9.696   1.817   1.889
  356   1HG1  VAL  50          HG11      VAL  50 -10.825   3.058   0.098
  357   2HG1  VAL  50          HG12      VAL  50 -10.567   4.559   0.988
  358   3HG1  VAL  50          HG13      VAL  50 -11.602   3.300   1.663
  359   1HG2  VAL  50          HG21      VAL  50  -8.036   4.101   0.825
  360   2HG2  VAL  50          HG22      VAL  50  -8.424   2.621  -0.051
  361   3HG2  VAL  50          HG23      VAL  50  -7.428   2.550   1.403
  362    H    ASP  51           HN       ASP  51  -9.246   1.085   3.997
  363    HA   ASP  51           HA       ASP  51  -6.393   1.065   4.574
  364   1HB   ASP  51          HB2       ASP  51  -7.661   1.874   6.647
  365   2HB   ASP  51          HB1       ASP  51  -8.345   0.255   6.730
  366    H    TYR  52           HN       TYR  52  -5.539  -0.880   4.084
  367    HA   TYR  52           HA       TYR  52  -7.395  -3.017   3.361
  368   1HB   TYR  52          HB2       TYR  52  -4.408  -2.828   2.908
  369   2HB   TYR  52          HB1       TYR  52  -5.466  -4.078   2.277
  370    HD1  TYR  52           HD2      TYR  52  -4.777  -0.432   2.134
  371    HD2  TYR  52           HD1      TYR  52  -6.574  -3.784   0.226
  372    HE1  TYR  52           HE2      TYR  52  -5.155   0.925   0.122
  373    HE2  TYR  52           HE1      TYR  52  -6.954  -2.436  -1.795
  374    HH   TYR  52           HH       TYR  52  -5.618   0.772  -2.141
  375    H    PHE  53           HN       PHE  53  -7.855  -4.548   4.755
  376    HA   PHE  53           HA       PHE  53  -5.921  -5.655   6.613
  377   1HB   PHE  53          HB2       PHE  53  -6.926  -3.401   7.511
  378   2HB   PHE  53          HB1       PHE  53  -8.368  -4.360   7.795
  379    HD1  PHE  53           HD1      PHE  53  -4.772  -4.039   8.674
  380    HD2  PHE  53           HD2      PHE  53  -8.560  -5.718   9.679
  381    HE1  PHE  53           HE1      PHE  53  -3.895  -4.704  10.863
  382    HE2  PHE  53           HE2      PHE  53  -7.676  -6.390  11.873
  383    HZ   PHE  53           HZ       PHE  53  -5.343  -5.881  12.468
  384    H    CYS  54           HN       CYS  54  -6.383  -7.794   6.419
  385    HA   CYS  54           HA       CYS  54  -8.976  -8.560   5.457
  386   1HB   CYS  54          HB2       CYS  54  -7.893 -10.916   5.620
  387   2HB   CYS  54          HB1       CYS  54  -7.329  -9.791   4.394
  388    H    GLN  55           HN       GLN  55 -10.351  -8.082   7.104
  389    HA   GLN  55           HA       GLN  55 -10.013  -9.056   9.760
  390   1HB   GLN  55          HB2       GLN  55 -11.275  -6.998   9.142
  391   2HB   GLN  55          HB1       GLN  55 -12.496  -8.004   8.384
  392   1HG   GLN  55          HG2       GLN  55 -11.825  -8.388  11.268
  393   2HG   GLN  55          HG1       GLN  55 -12.868  -7.060  10.769
  394   1HE2  GLN  55          HE21      GLN  55 -14.870  -7.525   9.830
  395   2HE2  GLN  55          HE22      GLN  55 -15.633  -9.075  10.030
  396    H    ASN  56           HN       ASN  56 -12.345  -9.902   7.183
  397    HA   ASN  56           HA       ASN  56 -13.199 -12.223   8.669
  398   1HB   ASN  56          HB2       ASN  56 -14.854 -10.908   7.434
  399   2HB   ASN  56          HB1       ASN  56 -14.011 -11.243   5.924
  400   1HD2  ASN  56          HD21      ASN  56 -16.001 -12.569   8.451
  401   2HD2  ASN  56          HD22      ASN  56 -16.467 -14.002   7.602
  402    H    GLY  57           HN       GLY  57 -11.908 -11.749   5.372
  403   1HA   GLY  57          HA2       GLY  57 -11.181 -14.501   5.100
  404   2HA   GLY  57          HA1       GLY  57 -10.712 -13.188   4.026
  405    H    HIS  58           HN       HIS  58  -9.290 -15.496   5.445
  406    HA   HIS  58           HA       HIS  58  -7.224 -15.955   6.214
  407   1HB   HIS  58          HB2       HIS  58  -6.523 -14.250   4.507
  408   2HB   HIS  58          HB1       HIS  58  -6.531 -13.045   5.792
  409    HD2  HIS  58           HD2      HIS  58  -4.475 -16.220   4.740
  410    HE1  HIS  58           HE1      HIS  58  -2.247 -14.027   7.604
  411    HE2  HIS  58           HE2      HIS  58  -2.285 -16.054   6.118
  412    H    GLY  59           HN       GLY  59  -7.419 -12.593   7.438
  413   1HA   GLY  59          HA2       GLY  59  -8.382 -12.674   9.869
  414   2HA   GLY  59          HA1       GLY  59  -6.975 -13.699  10.125
  415    H    LEU  60           HN       LEU  60  -7.486 -11.243  11.438
  416    HA   LEU  60           HA       LEU  60  -6.486  -8.911  10.388
  417   1HB   LEU  60          HB2       LEU  60  -5.892  -9.749  13.219
  418   2HB   LEU  60          HB1       LEU  60  -6.221  -8.141  12.608
  419    HG   LEU  60           HG       LEU  60  -8.245 -10.372  12.816
  420   1HD1  LEU  60          HD11      LEU  60  -7.865  -7.894  14.485
  421   2HD1  LEU  60          HD12      LEU  60  -7.560  -9.555  14.998
  422   3HD1  LEU  60          HD13      LEU  60  -9.204  -9.035  14.621
  423   1HD2  LEU  60          HD21      LEU  60  -8.584  -7.471  12.064
  424   2HD2  LEU  60          HD22      LEU  60  -9.886  -8.638  12.294
  425   3HD2  LEU  60          HD23      LEU  60  -8.734  -8.850  10.975
  426    H    ILE  61           HN       ILE  61  -4.496  -7.789  10.611
  427    HA   ILE  61           HA       ILE  61  -2.115  -9.493  10.956
  428    HB   ILE  61           HB       ILE  61  -1.916  -7.158   9.122
  429   1HG1  ILE  61          HG12      ILE  61  -2.440  -8.922   7.223
  430   2HG1  ILE  61          HG11      ILE  61  -3.453  -9.640   8.471
  431   1HG2  ILE  61          HG21      ILE  61   0.062  -8.406   9.699
  432   2HG2  ILE  61          HG22      ILE  61  -0.303  -8.638   7.989
  433   3HG2  ILE  61          HG23      ILE  61  -0.686  -9.907   9.152
  434   1HD1  ILE  61          HD11      ILE  61  -4.662  -7.529   8.698
  435   2HD1  ILE  61          HD12      ILE  61  -4.739  -8.157   7.051
  436   3HD1  ILE  61          HD13      ILE  61  -3.654  -6.820   7.438
  437    H    SER  62           HN       SER  62  -0.713  -8.684  12.421
  438    HA   SER  62           HA       SER  62  -1.041  -6.243  13.742
  439   1HB   SER  62          HB2       SER  62   0.398  -8.039  14.619
  440   2HB   SER  62          HB1       SER  62   1.514  -7.814  13.272
  441    HG   SER  62           HG       SER  62   1.136  -6.285  15.565
  442    H    LYS  63           HN       LYS  63  -0.625  -4.189  13.119
  443    HA   LYS  63           HA       LYS  63  -0.061  -3.623  10.427
  444   1HB   LYS  63          HB2       LYS  63  -0.117  -1.857  12.867
  445   2HB   LYS  63          HB1       LYS  63   0.164  -1.232  11.247
  446   1HG   LYS  63          HG2       LYS  63  -2.001  -2.160  10.536
  447   2HG   LYS  63          HG1       LYS  63  -2.284  -2.713  12.188
  448   1HD   LYS  63          HD2       LYS  63  -2.210  -0.415  12.988
  449   2HD   LYS  63          HD1       LYS  63  -1.866   0.156  11.353
  450   1HE   LYS  63          HE2       LYS  63  -4.358  -1.331  12.176
  451   2HE   LYS  63          HE1       LYS  63  -4.239   0.420  12.000
  452   1HZ   LYS  63          HZ1       LYS  63  -3.756   0.151   9.669
  453   2HZ   LYS  63          HZ2       LYS  63  -5.190  -0.672  10.038
  454   3HZ   LYS  63          HZ3       LYS  63  -3.756  -1.537   9.814
  455    H    LYS  64           HN       LYS  64   2.025  -4.301  13.017
  456    HA   LYS  64           HA       LYS  64   4.343  -2.927  12.014
  457   1HB   LYS  64          HB2       LYS  64   3.627  -4.439  14.351
  458   2HB   LYS  64          HB1       LYS  64   5.129  -5.066  13.687
  459   1HG   LYS  64          HG2       LYS  64   4.615  -2.180  14.370
  460   2HG   LYS  64          HG1       LYS  64   5.475  -3.332  15.393
  461   1HD   LYS  64          HD2       LYS  64   7.120  -3.661  13.578
  462   2HD   LYS  64          HD1       LYS  64   6.284  -2.431  12.629
  463   1HE   LYS  64          HE2       LYS  64   8.184  -1.428  13.706
  464   2HE   LYS  64          HE1       LYS  64   6.712  -0.803  14.445
  465   1HZ   LYS  64          HZ1       LYS  64   7.027  -2.427  16.255
  466   2HZ   LYS  64          HZ2       LYS  64   8.303  -1.318  16.140
  467   3HZ   LYS  64          HZ3       LYS  64   8.501  -2.896  15.561
  468    H    ARG  65           HN       ARG  65   2.668  -5.711  11.119
  469    HA   ARG  65           HA       ARG  65   5.040  -6.734   9.703
  470   1HB   ARG  65          HB2       ARG  65   2.662  -8.214  10.814
  471   2HB   ARG  65          HB1       ARG  65   3.745  -8.924   9.623
  472   1HG   ARG  65          HG2       ARG  65   4.463  -7.981  12.389
  473   2HG   ARG  65          HG1       ARG  65   4.418  -9.647  11.802
  474   1HD   ARG  65          HD2       ARG  65   6.210  -9.174  10.241
  475   2HD   ARG  65          HD1       ARG  65   6.227  -7.484  10.738
  476    HE   ARG  65           HE       ARG  65   6.894  -9.673  12.601
  477   1HH1  ARG  65          HH11      ARG  65   7.563  -6.556  11.151
  478   2HH1  ARG  65          HH12      ARG  65   9.006  -6.289  12.077
  479   1HH2  ARG  65          HH21      ARG  65   8.789  -9.330  13.821
  480   2HH2  ARG  65          HH22      ARG  65   9.723  -7.881  13.588
  481    H    VAL  66           HN       VAL  66   2.347  -4.995   9.279
  482    HA   VAL  66           HA       VAL  66   1.298  -6.077   6.865
  483    HB   VAL  66           HB       VAL  66   1.117  -3.330   8.109
  484   1HG1  VAL  66          HG11      VAL  66   0.970  -3.148   5.662
  485   2HG1  VAL  66          HG12      VAL  66  -0.559  -2.776   6.455
  486   3HG1  VAL  66          HG13      VAL  66  -0.332  -4.337   5.664
  487   1HG2  VAL  66          HG21      VAL  66  -1.186  -3.970   8.552
  488   2HG2  VAL  66          HG22      VAL  66  -0.069  -5.138   9.261
  489   3HG2  VAL  66          HG23      VAL  66  -0.921  -5.527   7.766
  490    H    ASN  67           HN       ASN  67   1.958  -5.806   4.809
  491    HA   ASN  67           HA       ASN  67   4.417  -4.264   4.393
  492   1HB   ASN  67          HB2       ASN  67   4.445  -6.631   3.691
  493   2HB   ASN  67          HB1       ASN  67   3.093  -6.322   2.607
  494   1HD2  ASN  67          HD21      ASN  67   5.767  -4.108   3.123
  495   2HD2  ASN  67          HD22      ASN  67   6.428  -4.245   1.530
  496    H    PHE  68           HN       PHE  68   3.709  -2.194   4.155
  497    HA   PHE  68           HA       PHE  68   1.551  -1.488   2.405
  498   1HB   PHE  68          HB2       PHE  68   3.705   0.170   3.733
  499   2HB   PHE  68          HB1       PHE  68   2.416   0.854   2.751
  500    HD1  PHE  68           HD2      PHE  68   3.220  -0.816   5.925
  501    HD2  PHE  68           HD1      PHE  68   0.173   1.010   3.578
  502    HE1  PHE  68           HE2      PHE  68   1.769  -0.700   7.906
  503    HE2  PHE  68           HE1      PHE  68  -1.283   1.128   5.557
  504    HZ   PHE  68           HZ       PHE  68  -0.487   0.273   7.724
  505    H    VAL  69           HN       VAL  69   1.764  -1.842   0.290
  506    HA   VAL  69           HA       VAL  69   4.391  -1.444  -0.952
  507    HB   VAL  69           HB       VAL  69   3.509  -2.686  -2.876
  508   1HG1  VAL  69          HG11      VAL  69   3.318  -4.877  -1.800
  509   2HG1  VAL  69          HG12      VAL  69   3.077  -4.087  -0.241
  510   3HG1  VAL  69          HG13      VAL  69   4.613  -3.912  -1.092
  511   1HG2  VAL  69          HG21      VAL  69   0.991  -2.954  -1.231
  512   2HG2  VAL  69          HG22      VAL  69   1.326  -3.805  -2.739
  513   3HG2  VAL  69          HG23      VAL  69   1.164  -2.048  -2.734
  514    H    ILE  70           HN       ILE  70   4.689  -0.162  -2.751
  515    HA   ILE  70           HA       ILE  70   2.815   2.024  -3.071
  516    HB   ILE  70           HB       ILE  70   5.491   1.450  -4.361
  517   1HG1  ILE  70          HG12      ILE  70   4.622   3.511  -2.323
  518   2HG1  ILE  70          HG11      ILE  70   5.601   2.086  -1.996
  519   1HG2  ILE  70          HG21      ILE  70   5.361   3.735  -5.278
  520   2HG2  ILE  70          HG22      ILE  70   3.693   3.840  -4.716
  521   3HG2  ILE  70          HG23      ILE  70   4.133   2.660  -5.949
  522   1HD1  ILE  70          HD11      ILE  70   6.393   4.405  -3.748
  523   2HD1  ILE  70          HD12      ILE  70   7.377   2.981  -3.409
  524   3HD1  ILE  70          HD13      ILE  70   6.962   4.096  -2.108
  525    H    SER  71           HN       SER  71   1.112   1.776  -4.359
  526    HA   SER  71           HA       SER  71   1.296  -0.132  -6.574
  527   1HB   SER  71          HB2       SER  71  -1.145   1.138  -5.318
  528   2HB   SER  71          HB1       SER  71  -1.141  -0.146  -6.531
  529    HG   SER  71           HG       SER  71   0.313  -0.534  -4.173
  530    H    ASP  72           HN       ASP  72   1.255   0.475  -8.603
  531    HA   ASP  72           HA       ASP  72   0.656   3.287  -9.253
  532   1HB   ASP  72          HB2       ASP  72   2.990   2.332  -9.724
  533   2HB   ASP  72          HB1       ASP  72   2.225   1.313 -10.937
  534    H    GLN  73           HN       GLN  73   0.447   2.565 -12.131
  535    HA   GLN  73           HA       GLN  73  -1.061   1.837 -13.672
  536   1HB   GLN  73          HB2       GLN  73  -1.646  -0.309 -11.621
  537   2HB   GLN  73          HB1       GLN  73  -2.121  -0.354 -13.313
  538   1HG   GLN  73          HG2       GLN  73   0.722  -0.269 -12.328
  539   2HG   GLN  73          HG1       GLN  73  -0.140  -1.731 -12.803
  540   1HE2  GLN  73          HE21      GLN  73   1.373   1.197 -13.908
  541   2HE2  GLN  73          HE22      GLN  73   1.407   0.778 -15.592
  542    H    LEU  74           HN       LEU  74  -1.908   3.895 -11.978
  543    HA   LEU  74           HA       LEU  74  -4.414   3.593 -10.810
  544   1HB   LEU  74          HB2       LEU  74  -3.051   5.939 -12.096
  545   2HB   LEU  74          HB1       LEU  74  -4.682   6.080 -11.476
  546    HG   LEU  74           HG       LEU  74  -3.808   5.365  -9.229
  547   1HD1  LEU  74          HD11      LEU  74  -1.128   5.796 -10.535
  548   2HD1  LEU  74          HD12      LEU  74  -1.768   4.256  -9.960
  549   3HD1  LEU  74          HD13      LEU  74  -1.415   5.548  -8.812
  550   1HD2  LEU  74          HD21      LEU  74  -2.626   7.867 -10.422
  551   2HD2  LEU  74          HD22      LEU  74  -2.851   7.548  -8.702
  552   3HD2  LEU  74          HD23      LEU  74  -4.252   7.700  -9.762
  553    H    GLU  75           HN       GLU  75  -6.513   4.073 -11.549
  554    HA   GLU  75           HA       GLU  75  -8.286   3.781 -12.912
  555   1HB   GLU  75          HB2       GLU  75  -6.269   4.585 -14.980
  556   2HB   GLU  75          HB1       GLU  75  -7.843   3.977 -15.472
  557   1HG   GLU  75          HG2       GLU  75  -7.380   6.338 -13.666
  558   2HG   GLU  75          HG1       GLU  75  -7.758   6.421 -15.388
  559    H    HIS  76           HN       HIS  76  -8.399   1.683 -12.181
  560    HA   HIS  76           HA       HIS  76  -7.105  -0.421 -13.709
  561   1HB   HIS  76          HB2       HIS  76  -8.928  -0.461 -11.301
  562   2HB   HIS  76          HB1       HIS  76  -8.350  -1.923 -12.091
  563    HD1  HIS  76           HD1      HIS  76  -7.650  -0.066  -9.244
  564    HD2  HIS  76           HD2      HIS  76  -5.252  -1.612 -12.272
  565    HE1  HIS  76           HE1      HIS  76  -5.329  -0.206  -8.271
  566    HE2  HIS  76           HE2      HIS  76  -3.936  -1.318 -10.060
  567    H    HIS  77           HN       HIS  77  -9.208  -2.352 -13.449
  568    HA   HIS  77           HA       HIS  77 -10.543  -1.699 -15.927
  569   1HB   HIS  77          HB2       HIS  77 -10.789  -4.218 -14.266
  570   2HB   HIS  77          HB1       HIS  77 -11.266  -4.011 -15.949
  571    HD1  HIS  77           HD1      HIS  77  -9.346  -3.938 -17.731
  572    HD2  HIS  77           HD2      HIS  77  -8.083  -4.656 -13.835
  573    HE1  HIS  77           HE1      HIS  77  -6.953  -4.678 -17.917
  574    HE2  HIS  77           HE2      HIS  77  -6.156  -4.868 -15.538
  575    H    HIS  78           HN       HIS  78 -12.735  -1.466 -16.243
  576    HA   HIS  78           HA       HIS  78 -14.303  -1.113 -13.771
  577   1HB   HIS  78          HB2       HIS  78 -15.560   0.682 -14.941
  578   2HB   HIS  78          HB1       HIS  78 -13.861   1.065 -14.703
  579    HD1  HIS  78           HD1      HIS  78 -16.294   0.074 -17.431
  580    HD2  HIS  78           HD2      HIS  78 -12.448   1.605 -17.000
  581    HE1  HIS  78           HE1      HIS  78 -15.585   0.787 -19.731
  582    HE2  HIS  78           HE2      HIS  78 -13.200   1.551 -19.478
  583    H    HIS  79           HN       HIS  79 -16.275  -1.968 -13.654
  584    HA   HIS  79           HA       HIS  79 -17.690  -2.873 -15.995
  585   1HB   HIS  79          HB2       HIS  79 -17.936  -5.214 -15.140
  586   2HB   HIS  79          HB1       HIS  79 -16.305  -4.826 -15.668
  587    HD1  HIS  79           HD1      HIS  79 -18.292  -5.812 -12.680
  588    HD2  HIS  79           HD2      HIS  79 -14.385  -4.695 -13.581
  589    HE1  HIS  79           HE1      HIS  79 -16.918  -6.443 -10.667
  590    HE2  HIS  79           HE2      HIS  79 -14.534  -5.943 -11.318
  591    H    HIS  80           HN       HIS  80 -19.867  -2.859 -15.656
  592    HA   HIS  80           HA       HIS  80 -20.816  -2.679 -12.871
  593   1HB   HIS  80          HB2       HIS  80 -21.742  -0.870 -15.122
  594   2HB   HIS  80          HB1       HIS  80 -22.408  -0.904 -13.496
  595    HD1  HIS  80           HD1      HIS  80 -21.043   0.267 -11.620
  596    HD2  HIS  80           HD2      HIS  80 -19.294   0.452 -15.395
  597    HE1  HIS  80           HE1      HIS  80 -19.212   1.980 -11.441
  598    HE2  HIS  80           HE2      HIS  80 -18.275   2.193 -13.776
  599    H    HIS  81           HN       HIS  81 -22.154  -2.538 -16.151
  600    HA   HIS  81           HA       HIS  81 -23.244  -5.141 -16.106
  601   1HB   HIS  81          HB2       HIS  81 -24.833  -4.157 -14.508
  602   2HB   HIS  81          HB1       HIS  81 -25.205  -2.872 -15.651
  603    HD1  HIS  81           HD1      HIS  81 -25.140  -6.673 -16.044
  604    HD2  HIS  81           HD2      HIS  81 -27.644  -3.405 -16.658
  605    HE1  HIS  81           HE1      HIS  81 -27.249  -7.611 -17.048
  606    HE2  HIS  81           HE2      HIS  81 -28.805  -5.637 -17.274
  Start of MODEL   20
    1   1H    MET   1          HT1       MET   1   9.725   2.264   8.195
    2   2H    MET   1          HT2       MET   1   9.071   3.654   7.472
    3   3H    MET   1          HT3       MET   1  10.750   3.426   7.500
    4    HA   MET   1           HA       MET   1  10.490   1.439   6.114
    5   1HB   MET   1          HB2       MET   1   7.657   2.460   5.801
    6   2HB   MET   1          HB1       MET   1   8.365   1.087   4.966
    7   1HG   MET   1          HG2       MET   1   7.863   1.292   7.926
    8   2HG   MET   1          HG1       MET   1   6.899   0.380   6.768
    9   1HE   MET   1          HE1       MET   1   8.654  -2.422   8.862
   10   2HE   MET   1          HE2       MET   1   7.115  -1.784   8.282
   11   3HE   MET   1          HE3       MET   1   8.069  -0.862   9.444
   12    H    GLU   2           HN       GLU   2  11.766   2.185   4.562
   13    HA   GLU   2           HA       GLU   2  11.402   4.864   3.532
   14   1HB   GLU   2          HB2       GLU   2  13.470   2.756   2.888
   15   2HB   GLU   2          HB1       GLU   2  13.488   4.403   2.274
   16   1HG   GLU   2          HG2       GLU   2  13.697   5.263   4.539
   17   2HG   GLU   2          HG1       GLU   2  13.642   3.621   5.176
   18    H    ILE   3           HN       ILE   3   9.660   4.967   2.262
   19    HA   ILE   3           HA       ILE   3   8.910   2.963   0.380
   20    HB   ILE   3           HB       ILE   3   8.020   5.847   0.385
   21   1HG1  ILE   3          HG12      ILE   3   6.749   3.569   1.915
   22   2HG1  ILE   3          HG11      ILE   3   7.819   4.756   2.651
   23   1HG2  ILE   3          HG21      ILE   3   5.958   4.927  -0.582
   24   2HG2  ILE   3          HG22      ILE   3   6.676   3.316  -0.556
   25   3HG2  ILE   3          HG23      ILE   3   7.370   4.573  -1.579
   26   1HD1  ILE   3          HD11      ILE   3   6.264   6.532   2.068
   27   2HD1  ILE   3          HD12      ILE   3   5.477   5.289   3.043
   28   3HD1  ILE   3          HD13      ILE   3   5.195   5.357   1.302
   29    H    THR   4           HN       THR   4  10.114   6.243   0.048
   30    HA   THR   4           HA       THR   4  11.362   7.354  -1.450
   31    HB   THR   4           HB       THR   4  13.178   6.232  -2.598
   32    HG1  THR   4           HG1      THR   4  11.543   4.042  -2.325
   33   1HG2  THR   4          HG21      THR   4  12.735   5.105   0.169
   34   2HG2  THR   4          HG22      THR   4  13.444   6.674  -0.213
   35   3HG2  THR   4          HG23      THR   4  14.283   5.193  -0.673
   36    H    CYS   5           HN       CYS   5  11.725   7.872  -3.692
   37    HA   CYS   5           HA       CYS   5   9.549   6.909  -5.415
   38   1HB   CYS   5          HB2       CYS   5   9.578   9.316  -5.103
   39   2HB   CYS   5          HB1       CYS   5  11.281   9.393  -5.544
   40    HA   PRO   6           HA       PRO   6  12.353   4.432  -7.787
   41   1HB   PRO   6          HB2       PRO   6  10.637   5.263 -10.074
   42   2HB   PRO   6          HB1       PRO   6  11.099   3.642  -9.543
   43   1HG   PRO   6          HG2       PRO   6   8.648   4.567  -9.078
   44   2HG   PRO   6          HG1       PRO   6   9.498   3.592  -7.864
   45   1HD   PRO   6          HD2       PRO   6   9.036   6.544  -7.942
   46   2HD   PRO   6          HD1       PRO   6   9.037   5.437  -6.554
   47    H    VAL   7           HN       VAL   7  11.429   7.647  -8.938
   48    HA   VAL   7           HA       VAL   7  13.951   7.760 -10.459
   49    HB   VAL   7           HB       VAL   7  12.835   9.574 -11.806
   50   1HG1  VAL   7          HG11      VAL   7  11.560   7.993 -13.187
   51   2HG1  VAL   7          HG12      VAL   7  11.618   6.816 -11.876
   52   3HG1  VAL   7          HG13      VAL   7  13.109   7.324 -12.671
   53   1HG2  VAL   7          HG21      VAL   7  10.358   8.524 -10.434
   54   2HG2  VAL   7          HG22      VAL   7  10.383   9.637 -11.802
   55   3HG2  VAL   7          HG23      VAL   7  11.047  10.137 -10.246
   56    H    CYS   8           HN       CYS   8  13.339   8.523  -7.577
   57    HA   CYS   8           HA       CYS   8  14.877  10.999  -7.719
   58   1HB   CYS   8          HB2       CYS   8  12.278  10.773  -6.196
   59   2HB   CYS   8          HB1       CYS   8  13.446  12.064  -5.956
   60    H    HIS   9           HN       HIS   9  14.132   8.050  -6.248
   61    HA   HIS   9           HA       HIS   9  14.539   7.025  -4.283
   62   1HB   HIS   9          HB2       HIS   9  16.930   7.534  -5.042
   63   2HB   HIS   9          HB1       HIS   9  16.891   8.890  -3.918
   64    HD1  HIS   9           HD1      HIS   9  17.733   5.388  -4.109
   65    HD2  HIS   9           HD2      HIS   9  16.351   7.950  -1.134
   66    HE1  HIS   9           HE1      HIS   9  18.201   4.225  -1.929
   67    HE2  HIS   9           HE2      HIS   9  17.210   5.714  -0.160
   68    H    HIS  10           HN       HIS  10  16.066   9.793  -2.836
   69    HA   HIS  10           HA       HIS  10  15.408  11.274  -1.227
   70   1HB   HIS  10          HB2       HIS  10  14.025  11.863  -3.374
   71   2HB   HIS  10          HB1       HIS  10  12.663  11.242  -2.456
   72    HD1  HIS  10           HD1      HIS  10  11.560  12.833  -0.845
   73    HD2  HIS  10           HD2      HIS  10  15.269  14.179  -2.165
   74    HE1  HIS  10           HE1      HIS  10  11.756  15.202  -0.032
   75    HE2  HIS  10           HE2      HIS  10  13.933  16.046  -0.981
   76    H    ALA  11           HN       ALA  11  13.057  11.709   0.139
   77    HA   ALA  11           HA       ALA  11  12.135   9.061   1.032
   78   1HB   ALA  11          HB1       ALA  11  12.316  11.599   2.665
   79   2HB   ALA  11          HB2       ALA  11  13.389  10.205   2.803
   80   3HB   ALA  11          HB3       ALA  11  11.683  10.051   3.222
   81    H    LEU  12           HN       LEU  12   9.904   8.823   1.283
   82    HA   LEU  12           HA       LEU  12   8.320  10.949   0.020
   83   1HB   LEU  12          HB2       LEU  12   7.715   8.022   0.443
   84   2HB   LEU  12          HB1       LEU  12   6.563   9.176  -0.196
   85    HG   LEU  12           HG       LEU  12   9.127   8.261  -1.484
   86   1HD1  LEU  12          HD11      LEU  12   6.237   8.044  -2.309
   87   2HD1  LEU  12          HD12      LEU  12   7.246   6.733  -1.697
   88   3HD1  LEU  12          HD13      LEU  12   7.623   7.487  -3.246
   89   1HD2  LEU  12          HD21      LEU  12   8.564   9.756  -3.333
   90   2HD2  LEU  12          HD22      LEU  12   8.871  10.656  -1.848
   91   3HD2  LEU  12          HD23      LEU  12   7.214  10.403  -2.401
   92    H    GLU  13           HN       GLU  13   7.110  12.179   1.253
   93    HA   GLU  13           HA       GLU  13   6.724  11.466   4.029
   94   1HB   GLU  13          HB2       GLU  13   6.024  13.971   2.491
   95   2HB   GLU  13          HB1       GLU  13   5.791  13.762   4.224
   96   1HG   GLU  13          HG2       GLU  13   8.227  13.333   4.442
   97   2HG   GLU  13          HG1       GLU  13   8.403  13.723   2.734
   98    H    ARG  14           HN       ARG  14   5.072  10.360   4.670
   99    HA   ARG  14           HA       ARG  14   2.858   9.844   2.895
  100   1HB   ARG  14          HB2       ARG  14   3.905   8.025   4.166
  101   2HB   ARG  14          HB1       ARG  14   3.475   8.819   5.673
  102   1HG   ARG  14          HG2       ARG  14   1.102   8.527   5.136
  103   2HG   ARG  14          HG1       ARG  14   1.555   7.699   3.644
  104   1HD   ARG  14          HD2       ARG  14   2.643   5.949   4.896
  105   2HD   ARG  14          HD1       ARG  14   2.361   6.807   6.410
  106    HE   ARG  14           HE       ARG  14  -0.065   6.236   4.997
  107   1HH1  ARG  14          HH11      ARG  14   2.341   4.892   7.171
  108   2HH1  ARG  14          HH12      ARG  14   1.240   3.726   7.849
  109   1HH2  ARG  14          HH21      ARG  14  -1.498   4.719   5.911
  110   2HH2  ARG  14          HH22      ARG  14  -0.929   3.633   7.144
  111    H    ASN  15           HN       ASN  15   0.986  10.885   2.915
  112    HA   ASN  15           HA       ASN  15   0.379  12.684   5.137
  113   1HB   ASN  15          HB2       ASN  15  -0.853  12.343   2.396
  114   2HB   ASN  15          HB1       ASN  15  -1.514  13.422   3.620
  115   1HD2  ASN  15          HD21      ASN  15  -0.425  14.019   0.985
  116   2HD2  ASN  15          HD22      ASN  15   0.856  15.155   1.245
  117    H    GLY  16           HN       GLY  16  -0.176   9.553   4.327
  118   1HA   GLY  16          HA2       GLY  16  -1.534   8.492   6.233
  119   2HA   GLY  16          HA1       GLY  16  -2.843   9.456   5.561
  120    H    ASP  17           HN       ASP  17  -3.365   9.096   3.286
  121    HA   ASP  17           HA       ASP  17  -3.408   6.248   2.681
  122   1HB   ASP  17          HB2       ASP  17  -5.461   7.646   2.471
  123   2HB   ASP  17          HB1       ASP  17  -4.663   8.595   1.225
  124    H    THR  18           HN       THR  18  -2.125   9.262   1.447
  125    HA   THR  18           HA       THR  18  -0.672   7.766  -0.630
  126    HB   THR  18           HB       THR  18  -2.392   9.275  -1.567
  127    HG1  THR  18           HG1      THR  18  -0.882   9.255  -3.059
  128   1HG2  THR  18          HG21      THR  18  -2.108  11.710  -1.397
  129   2HG2  THR  18          HG22      THR  18  -0.781  11.471  -0.259
  130   3HG2  THR  18          HG23      THR  18  -2.417  10.980   0.179
  131    H    ALA  19           HN       ALA  19   1.439   8.394  -1.102
  132    HA   ALA  19           HA       ALA  19   2.759  10.105   0.902
  133   1HB   ALA  19          HB1       ALA  19   3.577   7.794   0.896
  134   2HB   ALA  19          HB2       ALA  19   4.827   8.916   0.360
  135   3HB   ALA  19          HB3       ALA  19   3.960   7.933  -0.820
  136    H    HIS  20           HN       HIS  20   3.678  11.950   0.194
  137    HA   HIS  20           HA       HIS  20   3.321  12.519  -2.657
  138   1HB   HIS  20          HB2       HIS  20   2.173  13.941  -0.949
  139   2HB   HIS  20          HB1       HIS  20   3.754  14.458  -0.378
  140    HD1  HIS  20           HD1      HIS  20   1.369  14.853  -3.251
  141    HD2  HIS  20           HD2      HIS  20   5.032  16.364  -1.962
  142    HE1  HIS  20           HE1      HIS  20   1.848  16.840  -4.720
  143    HE2  HIS  20           HE2      HIS  20   3.969  17.834  -3.802
  144    H    CYS  21           HN       CYS  21   5.044  12.430  -3.914
  145    HA   CYS  21           HA       CYS  21   7.715  12.853  -2.880
  146   1HB   CYS  21          HB2       CYS  21   7.347  11.200  -4.672
  147   2HB   CYS  21          HB1       CYS  21   6.748  12.474  -5.729
  148    H    GLU  22           HN       GLU  22   8.687  14.758  -2.777
  149    HA   GLU  22           HA       GLU  22   7.285  17.126  -3.591
  150   1HB   GLU  22          HB2       GLU  22  10.015  16.770  -2.345
  151   2HB   GLU  22          HB1       GLU  22   9.200  18.312  -2.565
  152   1HG   GLU  22          HG2       GLU  22   8.265  16.030  -0.844
  153   2HG   GLU  22          HG1       GLU  22   8.985  17.540  -0.285
  154    H    THR  23           HN       THR  23  10.100  15.335  -4.679
  155    HA   THR  23           HA       THR  23  11.360  17.364  -6.119
  156    HB   THR  23           HB       THR  23  11.990  14.940  -7.390
  157    HG1  THR  23           HG1      THR  23  11.218  13.549  -5.955
  158   1HG2  THR  23          HG21      THR  23  14.068  15.134  -6.100
  159   2HG2  THR  23          HG22      THR  23  13.301  16.311  -5.034
  160   3HG2  THR  23          HG23      THR  23  13.566  16.703  -6.733
  161    H    CYS  24           HN       CYS  24   9.413  14.661  -7.487
  162    HA   CYS  24           HA       CYS  24   9.122  16.299  -9.907
  163   1HB   CYS  24          HB2       CYS  24   8.373  14.100 -10.941
  164   2HB   CYS  24          HB1       CYS  24  10.063  14.205 -10.459
  165    H    ALA  25           HN       ALA  25   7.517  16.049  -7.208
  166    HA   ALA  25           HA       ALA  25   5.381  16.275  -6.489
  167   1HB   ALA  25          HB1       ALA  25   4.918  17.326  -9.279
  168   2HB   ALA  25          HB2       ALA  25   5.491  18.267  -7.903
  169   3HB   ALA  25          HB3       ALA  25   3.868  17.579  -7.884
  170    H    LYS  26           HN       LYS  26   5.245  13.956  -6.346
  171    HA   LYS  26           HA       LYS  26   3.210  12.855  -8.161
  172   1HB   LYS  26          HB2       LYS  26   5.725  11.467  -7.215
  173   2HB   LYS  26          HB1       LYS  26   4.380  10.644  -7.990
  174   1HG   LYS  26          HG2       LYS  26   5.526  12.942  -9.449
  175   2HG   LYS  26          HG1       LYS  26   6.542  11.508  -9.306
  176   1HD   LYS  26          HD2       LYS  26   5.306  11.314 -11.338
  177   2HD   LYS  26          HD1       LYS  26   4.624  10.165 -10.190
  178   1HE   LYS  26          HE2       LYS  26   2.835  11.259 -11.361
  179   2HE   LYS  26          HE1       LYS  26   2.835  11.795  -9.682
  180   1HZ   LYS  26          HZ1       LYS  26   3.845  13.849 -10.319
  181   2HZ   LYS  26          HZ2       LYS  26   2.501  13.598 -11.323
  182   3HZ   LYS  26          HZ3       LYS  26   4.067  13.320 -11.917
  183    H    ASP  27           HN       ASP  27   1.508  12.107  -7.075
  184    HA   ASP  27           HA       ASP  27   1.816  11.545  -4.207
  185   1HB   ASP  27          HB2       ASP  27  -0.664  12.066  -5.867
  186   2HB   ASP  27          HB1       ASP  27  -0.688  11.654  -4.155
  187    H    PHE  28           HN       PHE  28   2.264   9.495  -3.800
  188    HA   PHE  28           HA       PHE  28   1.131   7.407  -5.533
  189   1HB   PHE  28          HB2       PHE  28   3.393   7.278  -3.526
  190   2HB   PHE  28          HB1       PHE  28   2.833   5.929  -4.506
  191    HD1  PHE  28           HD1      PHE  28   2.995   6.166  -7.040
  192    HD2  PHE  28           HD2      PHE  28   5.029   8.717  -4.310
  193    HE1  PHE  28           HE1      PHE  28   4.586   6.790  -8.812
  194    HE2  PHE  28           HE2      PHE  28   6.620   9.350  -6.074
  195    HZ   PHE  28           HZ       PHE  28   6.399   8.383  -8.331
  196    H    SER  29           HN       SER  29  -0.730   6.579  -4.789
  197    HA   SER  29           HA       SER  29  -1.424   6.596  -2.009
  198   1HB   SER  29          HB2       SER  29  -3.155   6.782  -3.747
  199   2HB   SER  29          HB1       SER  29  -2.735   5.179  -4.350
  200    HG   SER  29           HG       SER  29  -3.884   5.857  -1.830
  201    H    LEU  30           HN       LEU  30  -1.263   4.979  -0.535
  202    HA   LEU  30           HA       LEU  30   0.274   2.630  -1.388
  203   1HB   LEU  30          HB2       LEU  30  -0.083   3.875   1.333
  204   2HB   LEU  30          HB1       LEU  30   0.715   2.336   1.072
  205    HG   LEU  30           HG       LEU  30   2.255   3.710  -0.533
  206   1HD1  LEU  30          HD11      LEU  30   0.943   5.766  -0.454
  207   2HD1  LEU  30          HD12      LEU  30   2.578   6.013   0.158
  208   3HD1  LEU  30          HD13      LEU  30   1.227   5.880   1.283
  209   1HD2  LEU  30          HD21      LEU  30   2.968   2.598   1.517
  210   2HD2  LEU  30          HD22      LEU  30   2.432   3.988   2.461
  211   3HD2  LEU  30          HD23      LEU  30   3.762   4.160   1.316
  212    H    GLN  31           HN       GLN  31  -0.224   0.574  -0.465
  213    HA   GLN  31           HA       GLN  31  -3.019   0.275   0.389
  214   1HB   GLN  31          HB2       GLN  31  -2.287  -0.299  -2.125
  215   2HB   GLN  31          HB1       GLN  31  -1.808  -1.807  -1.362
  216   1HG   GLN  31          HG2       GLN  31  -3.953  -2.229  -2.101
  217   2HG   GLN  31          HG1       GLN  31  -4.174  -1.851  -0.395
  218   1HE2  GLN  31          HE21      GLN  31  -3.775   1.061  -0.887
  219   2HE2  GLN  31          HE22      GLN  31  -5.252   1.601  -1.606
  220    H    ALA  32           HN       ALA  32  -3.397  -1.763   1.552
  221    HA   ALA  32           HA       ALA  32  -1.046  -2.496   3.131
  222   1HB   ALA  32          HB1       ALA  32  -3.964  -3.059   3.645
  223   2HB   ALA  32          HB2       ALA  32  -3.044  -1.723   4.330
  224   3HB   ALA  32          HB3       ALA  32  -2.632  -3.385   4.749
  225    H    LEU  33           HN       LEU  33   0.035  -4.237   2.505
  226    HA   LEU  33           HA       LEU  33  -1.451  -6.471   1.280
  227   1HB   LEU  33          HB2       LEU  33   1.265  -5.339   0.675
  228   2HB   LEU  33          HB1       LEU  33   0.888  -7.001   0.282
  229    HG   LEU  33           HG       LEU  33  -0.976  -6.191  -1.165
  230   1HD1  LEU  33          HD11      LEU  33  -1.020  -3.840  -1.819
  231   2HD1  LEU  33          HD12      LEU  33   0.216  -3.476  -0.613
  232   3HD1  LEU  33          HD13      LEU  33  -1.379  -4.035  -0.102
  233   1HD2  LEU  33          HD21      LEU  33   1.755  -5.106  -1.812
  234   2HD2  LEU  33          HD22      LEU  33   0.464  -5.423  -2.970
  235   3HD2  LEU  33          HD23      LEU  33   1.207  -6.759  -2.087
  236    H    CYS  34           HN       CYS  34  -0.785  -8.587   1.759
  237    HA   CYS  34           HA       CYS  34   0.700  -8.905   4.259
  238   1HB   CYS  34          HB2       CYS  34  -1.032 -10.797   2.657
  239   2HB   CYS  34          HB1       CYS  34  -0.064 -11.325   4.028
  240    HA   PRO  35           HA       PRO  35   4.326 -10.398   2.140
  241   1HB   PRO  35          HB2       PRO  35   5.260 -12.103   4.072
  242   2HB   PRO  35          HB1       PRO  35   5.483 -10.352   4.116
  243   1HG   PRO  35          HG2       PRO  35   3.465 -12.043   5.534
  244   2HG   PRO  35          HG1       PRO  35   4.382 -10.650   6.136
  245   1HD   PRO  35          HD2       PRO  35   1.807 -10.448   5.365
  246   2HD   PRO  35          HD1       PRO  35   2.968  -9.126   5.135
  247    H    ASP  36           HN       ASP  36   1.940 -12.534   3.530
  248    HA   ASP  36           HA       ASP  36   2.923 -14.880   2.162
  249   1HB   ASP  36          HB2       ASP  36   0.466 -14.379   3.842
  250   2HB   ASP  36          HB1       ASP  36   0.825 -15.933   3.096
  251    H    CYS  37           HN       CYS  37   0.482 -12.431   1.637
  252    HA   CYS  37           HA       CYS  37  -0.094 -13.625  -0.940
  253   1HB   CYS  37          HB2       CYS  37  -2.543 -13.495  -0.616
  254   2HB   CYS  37          HB1       CYS  37  -1.780 -14.668   0.443
  255    H    ARG  38           HN       ARG  38   0.128 -12.060  -2.392
  256    HA   ARG  38           HA       ARG  38  -0.354  -9.306  -1.695
  257   1HB   ARG  38          HB2       ARG  38   1.396  -9.863  -3.347
  258   2HB   ARG  38          HB1       ARG  38   0.165 -10.523  -4.421
  259   1HG   ARG  38          HG2       ARG  38  -0.868  -8.340  -4.628
  260   2HG   ARG  38          HG1       ARG  38   0.291  -7.663  -3.488
  261   1HD   ARG  38          HD2       ARG  38   2.111  -8.221  -5.051
  262   2HD   ARG  38          HD1       ARG  38   0.914  -8.823  -6.200
  263    HE   ARG  38           HE       ARG  38   0.255  -6.189  -5.456
  264   1HH1  ARG  38          HH11      ARG  38   2.600  -7.941  -7.386
  265   2HH1  ARG  38          HH12      ARG  38   2.935  -6.585  -8.421
  266   1HH2  ARG  38          HH21      ARG  38   0.672  -4.436  -6.811
  267   2HH2  ARG  38          HH22      ARG  38   1.824  -4.590  -8.104
  268    H    GLN  39           HN       GLN  39  -2.461  -9.395  -1.017
  269    HA   GLN  39           HA       GLN  39  -4.466  -9.570  -3.165
  270   1HB   GLN  39          HB2       GLN  39  -4.813 -10.489  -0.292
  271   2HB   GLN  39          HB1       GLN  39  -6.069 -10.480  -1.517
  272   1HG   GLN  39          HG2       GLN  39  -4.814 -12.147  -2.798
  273   2HG   GLN  39          HG1       GLN  39  -3.576 -12.166  -1.543
  274   1HE2  GLN  39          HE21      GLN  39  -6.814 -13.066  -2.389
  275   2HE2  GLN  39          HE22      GLN  39  -7.092 -14.133  -1.060
  276    HA   PRO  40           HA       PRO  40  -5.942  -5.799  -1.047
  277   1HB   PRO  40          HB2       PRO  40  -8.635  -6.032  -1.176
  278   2HB   PRO  40          HB1       PRO  40  -7.661  -5.601  -2.586
  279   1HG   PRO  40          HG2       PRO  40  -8.835  -8.244  -1.828
  280   2HG   PRO  40          HG1       PRO  40  -8.743  -7.474  -3.421
  281   1HD   PRO  40          HD2       PRO  40  -7.028  -9.434  -2.594
  282   2HD   PRO  40          HD1       PRO  40  -6.592  -8.186  -3.778
  283    H    LEU  41           HN       LEU  41  -5.728  -8.673   0.141
  284    HA   LEU  41           HA       LEU  41  -6.015  -9.788   2.068
  285   1HB   LEU  41          HB2       LEU  41  -6.159  -6.936   2.907
  286   2HB   LEU  41          HB1       LEU  41  -6.628  -8.154   4.077
  287    HG   LEU  41           HG       LEU  41  -4.419  -9.209   3.882
  288   1HD1  LEU  41          HD11      LEU  41  -3.739  -6.912   2.058
  289   2HD1  LEU  41          HD12      LEU  41  -3.910  -8.599   1.574
  290   3HD1  LEU  41          HD13      LEU  41  -2.616  -8.123   2.676
  291   1HD2  LEU  41          HD21      LEU  41  -4.290  -6.253   4.449
  292   2HD2  LEU  41          HD22      LEU  41  -3.119  -7.461   4.979
  293   3HD2  LEU  41          HD23      LEU  41  -4.774  -7.510   5.588
  294    H    GLN  42           HN       GLN  42  -8.266  -7.405   3.104
  295    HA   GLN  42           HA       GLN  42 -10.607  -8.690   2.109
  296   1HB   GLN  42          HB2       GLN  42 -10.228 -10.166   4.002
  297   2HB   GLN  42          HB1       GLN  42  -9.969  -8.796   5.068
  298   1HG   GLN  42          HG2       GLN  42 -12.149  -9.814   5.422
  299   2HG   GLN  42          HG1       GLN  42 -12.295  -8.153   4.856
  300   1HE2  GLN  42          HE21      GLN  42 -13.247  -7.741   2.906
  301   2HE2  GLN  42          HE22      GLN  42 -14.064  -8.949   1.974
  302    H    VAL  43           HN       VAL  43 -11.645  -6.951   1.467
  303    HA   VAL  43           HA       VAL  43 -10.897  -4.371   2.389
  304    HB   VAL  43           HB       VAL  43 -13.274  -5.079   0.660
  305   1HG1  VAL  43          HG11      VAL  43 -11.706  -2.523   0.976
  306   2HG1  VAL  43          HG12      VAL  43 -13.353  -2.819   1.531
  307   3HG1  VAL  43          HG13      VAL  43 -12.996  -2.789  -0.196
  308   1HG2  VAL  43          HG21      VAL  43 -10.434  -4.470  -0.166
  309   2HG2  VAL  43          HG22      VAL  43 -11.804  -4.648  -1.262
  310   3HG2  VAL  43          HG23      VAL  43 -11.253  -6.026  -0.310
  311    H    LEU  44           HN       LEU  44 -11.500  -3.600   4.268
  312    HA   LEU  44           HA       LEU  44 -14.172  -4.249   5.299
  313   1HB   LEU  44          HB2       LEU  44 -11.848  -3.008   6.776
  314   2HB   LEU  44          HB1       LEU  44 -13.333  -3.631   7.474
  315    HG   LEU  44           HG       LEU  44 -11.202  -5.286   6.118
  316   1HD1  LEU  44          HD11      LEU  44 -10.433  -4.457   8.246
  317   2HD1  LEU  44          HD12      LEU  44 -10.816  -6.174   8.384
  318   3HD1  LEU  44          HD13      LEU  44 -11.931  -4.962   9.021
  319   1HD2  LEU  44          HD21      LEU  44 -13.718  -6.129   7.551
  320   2HD2  LEU  44          HD22      LEU  44 -12.467  -7.209   6.938
  321   3HD2  LEU  44          HD23      LEU  44 -13.424  -6.244   5.814
  322    H    LYS  45           HN       LYS  45 -15.493  -2.784   4.373
  323    HA   LYS  45           HA       LYS  45 -14.665   0.002   4.188
  324   1HB   LYS  45          HB2       LYS  45 -17.301  -1.222   3.351
  325   2HB   LYS  45          HB1       LYS  45 -16.634   0.323   2.841
  326   1HG   LYS  45          HG2       LYS  45 -14.869  -0.808   1.623
  327   2HG   LYS  45          HG1       LYS  45 -15.453  -2.374   2.189
  328   1HD   LYS  45          HD2       LYS  45 -16.301  -2.147   0.007
  329   2HD   LYS  45          HD1       LYS  45 -17.659  -1.773   1.068
  330   1HE   LYS  45          HE2       LYS  45 -17.619  -0.164  -0.707
  331   2HE   LYS  45          HE1       LYS  45 -17.136   0.641   0.786
  332   1HZ   LYS  45          HZ1       LYS  45 -15.731   1.259  -1.100
  333   2HZ   LYS  45          HZ2       LYS  45 -15.264  -0.361  -1.299
  334   3HZ   LYS  45          HZ3       LYS  45 -14.834   0.479   0.104
  335    H    ALA  46           HN       ALA  46 -14.662   0.731   6.293
  336    HA   ALA  46           HA       ALA  46 -17.120   0.457   7.851
  337   1HB   ALA  46          HB1       ALA  46 -14.417   1.530   8.658
  338   2HB   ALA  46          HB2       ALA  46 -15.015  -0.099   8.970
  339   3HB   ALA  46          HB3       ALA  46 -15.797   1.287   9.730
  340    H    CYS  47           HN       CYS  47 -17.640   2.529   9.170
  341    HA   CYS  47           HA       CYS  47 -18.045   4.604   7.191
  342   1HB   CYS  47          HB2       CYS  47 -19.888   3.818   8.693
  343   2HB   CYS  47          HB1       CYS  47 -19.017   4.513  10.055
  344    HG   CYS  47           HG       CYS  47 -19.275   6.852   7.807
  345    H    GLY  48           HN       GLY  48 -16.081   5.584   6.915
  346   1HA   GLY  48          HA2       GLY  48 -15.186   7.768   7.822
  347   2HA   GLY  48          HA1       GLY  48 -14.911   6.864   9.305
  348    H    ALA  49           HN       ALA  49 -14.150   4.450   7.683
  349    HA   ALA  49           HA       ALA  49 -11.703   5.259   6.379
  350   1HB   ALA  49          HB1       ALA  49 -10.221   4.017   7.872
  351   2HB   ALA  49          HB2       ALA  49 -11.582   3.660   8.936
  352   3HB   ALA  49          HB3       ALA  49 -11.037   5.325   8.730
  353    H    VAL  50           HN       VAL  50 -10.756   3.614   5.168
  354    HA   VAL  50           HA       VAL  50 -12.248   1.081   5.093
  355    HB   VAL  50           HB       VAL  50 -11.559   0.944   2.652
  356   1HG1  VAL  50          HG11      VAL  50 -13.418   2.356   1.893
  357   2HG1  VAL  50          HG12      VAL  50 -13.455   3.146   3.470
  358   3HG1  VAL  50          HG13      VAL  50 -13.845   1.432   3.332
  359   1HG2  VAL  50          HG21      VAL  50 -11.084   3.053   1.500
  360   2HG2  VAL  50          HG22      VAL  50  -9.830   2.677   2.681
  361   3HG2  VAL  50          HG23      VAL  50 -11.048   3.896   3.049
  362    H    ASP  51           HN       ASP  51 -11.056  -0.517   5.833
  363    HA   ASP  51           HA       ASP  51  -8.128  -0.339   5.560
  364   1HB   ASP  51          HB2       ASP  51  -9.887  -1.471   7.705
  365   2HB   ASP  51          HB1       ASP  51  -8.280  -2.145   7.470
  366    H    TYR  52           HN       TYR  52  -6.955  -2.147   4.963
  367    HA   TYR  52           HA       TYR  52  -8.502  -4.380   3.830
  368   1HB   TYR  52          HB2       TYR  52  -5.670  -3.501   3.207
  369   2HB   TYR  52          HB1       TYR  52  -6.507  -4.854   2.457
  370    HD1  TYR  52           HD2      TYR  52  -8.629  -4.339   1.125
  371    HD2  TYR  52           HD1      TYR  52  -5.847  -1.347   2.304
  372    HE1  TYR  52           HE2      TYR  52  -9.529  -2.835  -0.596
  373    HE2  TYR  52           HE1      TYR  52  -6.742   0.169   0.589
  374    HH   TYR  52           HH       TYR  52  -7.965  -0.071  -1.619
  375    H    PHE  53           HN       PHE  53  -8.503  -6.134   5.070
  376    HA   PHE  53           HA       PHE  53  -6.239  -6.751   6.816
  377   1HB   PHE  53          HB2       PHE  53  -7.880  -4.927   7.752
  378   2HB   PHE  53          HB1       PHE  53  -8.918  -6.304   8.074
  379    HD1  PHE  53           HD1      PHE  53  -5.403  -5.214   8.615
  380    HD2  PHE  53           HD2      PHE  53  -8.807  -7.256  10.138
  381    HE1  PHE  53           HE1      PHE  53  -4.251  -5.517  10.766
  382    HE2  PHE  53           HE2      PHE  53  -7.662  -7.572  12.289
  383    HZ   PHE  53           HZ       PHE  53  -5.379  -6.699  12.608
  384    H    CYS  54           HN       CYS  54  -6.049  -8.901   6.392
  385    HA   CYS  54           HA       CYS  54  -8.231 -10.579   5.661
  386   1HB   CYS  54          HB2       CYS  54  -5.383 -11.175   6.489
  387   2HB   CYS  54          HB1       CYS  54  -6.527 -12.432   6.053
  388    H    GLN  55           HN       GLN  55  -9.750 -10.412   7.387
  389    HA   GLN  55           HA       GLN  55  -9.011 -10.740  10.098
  390   1HB   GLN  55          HB2       GLN  55 -11.653 -10.872   8.675
  391   2HB   GLN  55          HB1       GLN  55 -11.522 -11.202  10.397
  392   1HG   GLN  55          HG2       GLN  55 -10.511  -8.965  10.699
  393   2HG   GLN  55          HG1       GLN  55 -10.796  -8.645   8.989
  394   1HE2  GLN  55          HE21      GLN  55 -12.144  -6.907   9.503
  395   2HE2  GLN  55          HE22      GLN  55 -13.749  -7.131  10.109
  396    H    ASN  56           HN       ASN  56 -11.041 -12.944   8.163
  397    HA   ASN  56           HA       ASN  56 -10.124 -15.108   9.932
  398   1HB   ASN  56          HB2       ASN  56 -12.575 -14.596   9.823
  399   2HB   ASN  56          HB1       ASN  56 -12.553 -15.070   8.128
  400   1HD2  ASN  56          HD21      ASN  56 -12.407 -17.228   7.596
  401   2HD2  ASN  56          HD22      ASN  56 -12.594 -18.493   8.764
  402    H    GLY  57           HN       GLY  57 -10.254 -14.069   6.609
  403   1HA   GLY  57          HA2       GLY  57  -9.594 -16.662   5.517
  404   2HA   GLY  57          HA1       GLY  57  -9.709 -15.152   4.628
  405    H    HIS  58           HN       HIS  58  -7.715 -15.705   7.453
  406    HA   HIS  58           HA       HIS  58  -5.293 -16.458   6.423
  407   1HB   HIS  58          HB2       HIS  58  -5.431 -14.431   4.978
  408   2HB   HIS  58          HB1       HIS  58  -5.525 -13.435   6.422
  409    HD2  HIS  58           HD2      HIS  58  -2.944 -14.565   8.072
  410    HE1  HIS  58           HE1      HIS  58  -0.800 -13.650   4.534
  411    HE2  HIS  58           HE2      HIS  58  -0.624 -14.241   6.977
  412    H    GLY  59           HN       GLY  59  -6.201 -13.554   8.273
  413   1HA   GLY  59          HA2       GLY  59  -6.331 -14.186  10.808
  414   2HA   GLY  59          HA1       GLY  59  -4.629 -14.561  10.535
  415    H    LEU  60           HN       LEU  60  -6.284 -12.365  11.978
  416    HA   LEU  60           HA       LEU  60  -5.799  -9.934  10.662
  417   1HB   LEU  60          HB2       LEU  60  -6.255  -8.860  12.811
  418   2HB   LEU  60          HB1       LEU  60  -7.442 -10.085  12.423
  419    HG   LEU  60           HG       LEU  60  -5.162 -10.626  14.317
  420   1HD1  LEU  60          HD11      LEU  60  -6.696 -10.099  16.138
  421   2HD1  LEU  60          HD12      LEU  60  -7.912  -9.575  14.973
  422   3HD1  LEU  60          HD13      LEU  60  -6.398  -8.683  15.129
  423   1HD2  LEU  60          HD21      LEU  60  -6.329 -12.587  13.461
  424   2HD2  LEU  60          HD22      LEU  60  -7.877 -11.893  13.944
  425   3HD2  LEU  60          HD23      LEU  60  -6.691 -12.346  15.169
  426    H    ILE  61           HN       ILE  61  -3.793  -9.671   9.929
  427    HA   ILE  61           HA       ILE  61  -1.440 -10.032  11.526
  428    HB   ILE  61           HB       ILE  61  -1.705  -8.474   8.944
  429   1HG1  ILE  61          HG12      ILE  61  -2.576 -10.753   8.636
  430   2HG1  ILE  61          HG11      ILE  61  -1.067 -10.521   7.762
  431   1HG2  ILE  61          HG21      ILE  61   0.374  -8.066  10.122
  432   2HG2  ILE  61          HG22      ILE  61   0.673  -9.001   8.657
  433   3HG2  ILE  61          HG23      ILE  61   0.676  -9.800  10.230
  434   1HD1  ILE  61          HD11      ILE  61  -1.148 -12.696   8.830
  435   2HD1  ILE  61          HD12      ILE  61  -1.379 -11.931  10.402
  436   3HD1  ILE  61          HD13      ILE  61   0.134 -11.703   9.524
  437    H    SER  62           HN       SER  62  -0.508  -8.555  12.852
  438    HA   SER  62           HA       SER  62  -1.659  -6.100  13.504
  439   1HB   SER  62          HB2       SER  62   1.293  -6.743  13.712
  440   2HB   SER  62          HB1       SER  62   0.351  -5.667  14.742
  441    HG   SER  62           HG       SER  62  -0.793  -7.490  15.503
  442    H    LYS  63           HN       LYS  63  -1.623  -4.127  12.499
  443    HA   LYS  63           HA       LYS  63  -0.686  -4.000   9.837
  444   1HB   LYS  63          HB2       LYS  63  -1.760  -1.860  11.668
  445   2HB   LYS  63          HB1       LYS  63  -1.276  -1.535  10.007
  446   1HG   LYS  63          HG2       LYS  63  -2.874  -3.453   9.388
  447   2HG   LYS  63          HG1       LYS  63  -3.525  -3.236  11.011
  448   1HD   LYS  63          HD2       LYS  63  -3.277  -1.005   9.004
  449   2HD   LYS  63          HD1       LYS  63  -4.727  -1.991   9.186
  450   1HE   LYS  63          HE2       LYS  63  -4.913  -1.272  11.522
  451   2HE   LYS  63          HE1       LYS  63  -3.463  -0.286  11.331
  452   1HZ   LYS  63          HZ1       LYS  63  -5.900   0.077   9.667
  453   2HZ   LYS  63          HZ2       LYS  63  -4.569   1.130   9.810
  454   3HZ   LYS  63          HZ3       LYS  63  -5.630   0.917  11.113
  455    H    LYS  64           HN       LYS  64   0.833  -3.369  12.815
  456    HA   LYS  64           HA       LYS  64   2.994  -1.776  12.075
  457   1HB   LYS  64          HB2       LYS  64   2.558  -2.491  14.367
  458   2HB   LYS  64          HB1       LYS  64   2.887  -4.160  13.936
  459   1HG   LYS  64          HG2       LYS  64   5.221  -3.495  13.401
  460   2HG   LYS  64          HG1       LYS  64   4.850  -1.882  14.020
  461   1HD   LYS  64          HD2       LYS  64   4.291  -2.834  16.196
  462   2HD   LYS  64          HD1       LYS  64   4.619  -4.455  15.581
  463   1HE   LYS  64          HE2       LYS  64   6.956  -3.756  15.133
  464   2HE   LYS  64          HE1       LYS  64   6.597  -2.201  15.885
  465   1HZ   LYS  64          HZ1       LYS  64   6.437  -4.855  17.214
  466   2HZ   LYS  64          HZ2       LYS  64   6.070  -3.367  17.942
  467   3HZ   LYS  64          HZ3       LYS  64   7.658  -3.698  17.449
  468    H    ARG  65           HN       ARG  65   2.262  -5.112  11.321
  469    HA   ARG  65           HA       ARG  65   4.906  -5.452  10.071
  470   1HB   ARG  65          HB2       ARG  65   2.883  -7.511  10.952
  471   2HB   ARG  65          HB1       ARG  65   4.383  -7.882  10.116
  472   1HG   ARG  65          HG2       ARG  65   5.612  -6.826  12.019
  473   2HG   ARG  65          HG1       ARG  65   4.064  -6.703  12.864
  474   1HD   ARG  65          HD2       ARG  65   5.301  -8.708  13.534
  475   2HD   ARG  65          HD1       ARG  65   3.783  -9.116  12.732
  476    HE   ARG  65           HE       ARG  65   6.269  -9.076  11.166
  477   1HH1  ARG  65          HH11      ARG  65   3.574 -10.851  12.540
  478   2HH1  ARG  65          HH12      ARG  65   3.932 -12.319  11.677
  479   1HH2  ARG  65          HH21      ARG  65   6.720 -10.987   9.989
  480   2HH2  ARG  65          HH22      ARG  65   5.727 -12.399  10.222
  481    H    VAL  66           HN       VAL  66   1.881  -4.555   9.227
  482    HA   VAL  66           HA       VAL  66   1.550  -6.168   6.862
  483    HB   VAL  66           HB       VAL  66   0.105  -3.687   7.819
  484   1HG1  VAL  66          HG11      VAL  66   0.053  -3.741   5.383
  485   2HG1  VAL  66          HG12      VAL  66  -1.534  -4.128   6.049
  486   3HG1  VAL  66          HG13      VAL  66  -0.505  -5.415   5.419
  487   1HG2  VAL  66          HG21      VAL  66  -1.742  -5.241   8.218
  488   2HG2  VAL  66          HG22      VAL  66  -0.305  -5.708   9.131
  489   3HG2  VAL  66          HG23      VAL  66  -0.738  -6.580   7.661
  490    H    ASN  67           HN       ASN  67   1.960  -5.578   4.751
  491    HA   ASN  67           HA       ASN  67   4.075  -3.629   4.464
  492   1HB   ASN  67          HB2       ASN  67   2.843  -5.615   2.556
  493   2HB   ASN  67          HB1       ASN  67   4.057  -4.444   2.050
  494   1HD2  ASN  67          HD21      ASN  67   6.162  -4.660   2.769
  495   2HD2  ASN  67          HD22      ASN  67   6.752  -6.118   3.483
  496    H    PHE  68           HN       PHE  68   3.034  -1.657   4.758
  497    HA   PHE  68           HA       PHE  68   0.997  -0.837   2.890
  498   1HB   PHE  68          HB2       PHE  68   2.651   0.714   4.891
  499   2HB   PHE  68          HB1       PHE  68   1.437   1.454   3.853
  500    HD1  PHE  68           HD2      PHE  68  -0.924   1.022   4.200
  501    HD2  PHE  68           HD1      PHE  68   2.026  -0.667   6.759
  502    HE1  PHE  68           HE2      PHE  68  -2.666   0.491   5.850
  503    HE2  PHE  68           HE1      PHE  68   0.287  -1.199   8.417
  504    HZ   PHE  68           HZ       PHE  68  -2.061  -0.620   7.964
  505    H    VAL  69           HN       VAL  69   1.692  -0.933   0.839
  506    HA   VAL  69           HA       VAL  69   4.110   0.602   0.145
  507    HB   VAL  69           HB       VAL  69   4.646  -1.084  -1.593
  508   1HG1  VAL  69          HG11      VAL  69   4.538  -2.191   1.212
  509   2HG1  VAL  69          HG12      VAL  69   5.799  -1.148   0.556
  510   3HG1  VAL  69          HG13      VAL  69   5.578  -2.774  -0.090
  511   1HG2  VAL  69          HG21      VAL  69   3.604  -3.304  -1.489
  512   2HG2  VAL  69          HG22      VAL  69   2.426  -2.052  -1.877
  513   3HG2  VAL  69          HG23      VAL  69   2.494  -2.723  -0.248
  514    H    ILE  70           HN       ILE  70   4.182   1.210  -2.159
  515    HA   ILE  70           HA       ILE  70   1.743   2.317  -3.081
  516    HB   ILE  70           HB       ILE  70   4.299   1.858  -4.634
  517   1HG1  ILE  70          HG12      ILE  70   3.447   4.326  -3.108
  518   2HG1  ILE  70          HG11      ILE  70   4.590   3.136  -2.493
  519   1HG2  ILE  70          HG21      ILE  70   2.398   2.374  -6.062
  520   2HG2  ILE  70          HG22      ILE  70   3.526   3.730  -6.018
  521   3HG2  ILE  70          HG23      ILE  70   2.032   3.796  -5.084
  522   1HD1  ILE  70          HD11      ILE  70   4.945   4.828  -4.955
  523   2HD1  ILE  70          HD12      ILE  70   6.087   3.618  -4.366
  524   3HD1  ILE  70          HD13      ILE  70   5.745   5.056  -3.401
  525    H    SER  71           HN       SER  71   0.196   1.421  -4.355
  526    HA   SER  71           HA       SER  71   0.537  -1.366  -5.082
  527   1HB   SER  71          HB2       SER  71  -1.535  -0.688  -3.965
  528   2HB   SER  71          HB1       SER  71  -1.892   0.429  -5.281
  529    HG   SER  71           HG       SER  71  -2.083  -1.332  -6.670
  530    H    ASP  72           HN       ASP  72   1.956  -1.299  -6.820
  531    HA   ASP  72           HA       ASP  72   1.175   0.137  -9.221
  532   1HB   ASP  72          HB2       ASP  72   3.213  -0.860 -10.219
  533   2HB   ASP  72          HB1       ASP  72   3.560  -0.003  -8.723
  534    H    GLN  73           HN       GLN  73  -0.322  -0.657 -10.518
  535    HA   GLN  73           HA       GLN  73  -0.357  -3.366 -11.399
  536   1HB   GLN  73          HB2       GLN  73  -1.336  -3.508  -9.061
  537   2HB   GLN  73          HB1       GLN  73  -2.677  -2.536  -9.651
  538   1HG   GLN  73          HG2       GLN  73  -3.102  -4.303 -11.360
  539   2HG   GLN  73          HG1       GLN  73  -1.875  -5.287 -10.563
  540   1HE2  GLN  73          HE21      GLN  73  -4.690  -5.833 -10.917
  541   2HE2  GLN  73          HE22      GLN  73  -5.355  -6.030  -9.330
  542    H    LEU  74           HN       LEU  74  -2.320  -0.488 -10.834
  543    HA   LEU  74           HA       LEU  74  -3.410  -0.732 -13.551
  544   1HB   LEU  74          HB2       LEU  74  -5.069  -0.762 -11.738
  545   2HB   LEU  74          HB1       LEU  74  -4.466   0.776 -11.156
  546    HG   LEU  74           HG       LEU  74  -5.182   1.821 -13.296
  547   1HD1  LEU  74          HD11      LEU  74  -6.729   0.597 -14.743
  548   2HD1  LEU  74          HD12      LEU  74  -6.454  -0.867 -13.799
  549   3HD1  LEU  74          HD13      LEU  74  -5.131  -0.150 -14.721
  550   1HD2  LEU  74          HD21      LEU  74  -6.588   1.953 -11.324
  551   2HD2  LEU  74          HD22      LEU  74  -7.317   0.397 -11.715
  552   3HD2  LEU  74          HD23      LEU  74  -7.582   1.781 -12.774
  553    H    GLU  75           HN       GLU  75  -2.541   0.597 -14.995
  554    HA   GLU  75           HA       GLU  75  -1.570   3.226 -14.087
  555   1HB   GLU  75          HB2       GLU  75   0.284   1.555 -14.417
  556   2HB   GLU  75          HB1       GLU  75  -0.175   1.458 -16.108
  557   1HG   GLU  75          HG2       GLU  75   0.494   4.113 -14.932
  558   2HG   GLU  75          HG1       GLU  75   1.790   2.988 -15.330
  559    H    HIS  76           HN       HIS  76  -2.330   1.263 -16.955
  560    HA   HIS  76           HA       HIS  76  -2.785   3.545 -18.603
  561   1HB   HIS  76          HB2       HIS  76  -2.945   0.617 -18.921
  562   2HB   HIS  76          HB1       HIS  76  -4.004   1.556 -19.971
  563    HD1  HIS  76           HD1      HIS  76  -2.846   1.483 -22.163
  564    HD2  HIS  76           HD2      HIS  76  -0.264   2.425 -19.044
  565    HE1  HIS  76           HE1      HIS  76  -0.646   2.063 -23.250
  566    HE2  HIS  76           HE2      HIS  76   0.802   2.871 -21.352
  567    H    HIS  77           HN       HIS  77  -4.708   4.270 -19.509
  568    HA   HIS  77           HA       HIS  77  -6.896   4.321 -17.636
  569   1HB   HIS  77          HB2       HIS  77  -6.505   5.604 -20.349
  570   2HB   HIS  77          HB1       HIS  77  -7.937   5.844 -19.355
  571    HD1  HIS  77           HD1      HIS  77  -7.824   8.043 -18.264
  572    HD2  HIS  77           HD2      HIS  77  -4.075   6.268 -18.519
  573    HE1  HIS  77           HE1      HIS  77  -6.243   9.640 -17.140
  574    HE2  HIS  77           HE2      HIS  77  -3.957   8.651 -17.523
  575    H    HIS  78           HN       HIS  78  -8.590   3.025 -17.630
  576    HA   HIS  78           HA       HIS  78  -9.750   1.825 -19.943
  577   1HB   HIS  78          HB2       HIS  78  -7.540   0.524 -19.478
  578   2HB   HIS  78          HB1       HIS  78  -8.387  -0.123 -18.079
  579    HD1  HIS  78           HD1      HIS  78  -8.019  -0.503 -21.721
  580    HD2  HIS  78           HD2      HIS  78 -10.613  -1.819 -18.749
  581    HE1  HIS  78           HE1      HIS  78  -9.286  -2.427 -22.732
  582    HE2  HIS  78           HE2      HIS  78 -10.697  -3.339 -20.848
  583    H    HIS  79           HN       HIS  79 -11.755   0.818 -19.387
  584    HA   HIS  79           HA       HIS  79 -12.983   1.727 -17.016
  585   1HB   HIS  79          HB2       HIS  79 -13.780  -0.363 -19.033
  586   2HB   HIS  79          HB1       HIS  79 -14.774  -0.023 -17.622
  587    HD1  HIS  79           HD1      HIS  79 -16.738   1.134 -18.630
  588    HD2  HIS  79           HD2      HIS  79 -13.124   2.681 -19.990
  589    HE1  HIS  79           HE1      HIS  79 -17.337   3.149 -20.013
  590    HE2  HIS  79           HE2      HIS  79 -15.149   3.948 -20.985
  591    H    HIS  80           HN       HIS  80 -12.680  -1.719 -17.846
  592    HA   HIS  80           HA       HIS  80 -11.429  -2.177 -15.229
  593   1HB   HIS  80          HB2       HIS  80 -13.758  -3.740 -16.364
  594   2HB   HIS  80          HB1       HIS  80 -12.750  -4.324 -15.046
  595    HD1  HIS  80           HD1      HIS  80 -15.856  -2.736 -15.578
  596    HD2  HIS  80           HD2      HIS  80 -12.775  -2.227 -12.831
  597    HE1  HIS  80           HE1      HIS  80 -16.875  -1.507 -13.625
  598    HE2  HIS  80           HE2      HIS  80 -14.964  -1.124 -12.020
  599    H    HIS  81           HN       HIS  81 -12.544  -4.568 -17.538
  600    HA   HIS  81           HA       HIS  81  -9.892  -4.753 -18.738
  601   1HB   HIS  81          HB2       HIS  81 -11.318  -7.045 -17.379
  602   2HB   HIS  81          HB1       HIS  81 -10.047  -7.290 -18.570
  603    HD1  HIS  81           HD1      HIS  81  -7.626  -6.521 -17.887
  604    HD2  HIS  81           HD2      HIS  81 -10.452  -6.357 -14.840
  605    HE1  HIS  81           HE1      HIS  81  -6.312  -6.270 -15.757
  606    HE2  HIS  81           HE2      HIS  81  -8.043  -6.004 -13.947