*HEADER    SIGNALING PROTEIN                       04-NOV-99   1DC7              
*TITLE     STRUCTURE OF A TRANSIENTLY PHOSPHORYLATED "SWITCH" IN                 
*TITLE    2 BACTERIAL SIGNAL TRANSDUCTION                                        
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: NITROGEN REGULATION PROTEIN;                               
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: N-TERMINAL RECEIVER DOMAIN(1-124);                         
*COMPND   5 SYNONYM: NTRC;                                                       
*COMPND   6 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: SALMONELLA TYPHIMURIUM;                         
*SOURCE   3 ORGANISM_COMMON: BACTERIA;                                           
*SOURCE   4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   5 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   6 EXPRESSION_SYSTEM_STRAIN: BL21;                                      
*SOURCE   7 EXPRESSION_SYSTEM_VECTOR: PJES592                                    
*KEYWDS    RECEIVER DOMAIN, PHOSPHORYLATION, SIGNAL TRANSDUCTION,                
*KEYWDS   2 CONFORMATIONAL REARRANGEMENT, TWO-COMPONENT SYSTEM                   
*EXPDTA    NMR, MINIMIZED AVERAGED STRUCTURE                                     
*AUTHOR    D.KERN, B.F.VOLKMAN, P.LUGINBUHL, M.J.NOHAILE, S.KUSTU,               
*AUTHOR   2 D.E.WEMMER                                                           
*REVDAT   1   05-JAN-00 1DC7    0                                                
  2 GLN  HA      2 GLN  QG      3.72                
  2 GLN  HA      3 ARG+ HN      2.49                
  2 GLN  HA      3 ARG+ QB      4.49                
  2 GLN  QB      2 GLN  QG      2.45                
  2 GLN  QB      3 ARG+ HN      4.55                
  2 GLN  QG      3 ARG+ HN      6.16                
  2 GLN  QG      4 GLY  HN      6.38                
  3 ARG+ HN      3 ARG+ QB      3.68                
  3 ARG+ HN      3 ARG+ QD      6.38                
  3 ARG+ HN      4 GLY  HN      3.76                
  3 ARG+ HN      4 GLY  HA1     5.50                
  3 ARG+ HN      4 GLY  HA2     5.50                
  3 ARG+ HN      4 GLY  QA      4.79                
  3 ARG+ HN     28 LEU  QQD     8.10                
  3 ARG+ HA      3 ARG+ HB2     2.90                
  3 ARG+ HA      3 ARG+ HB3     2.90                
  3 ARG+ HA      3 ARG+ HG2     3.92                
  3 ARG+ HA      3 ARG+ HG3     3.92                
  3 ARG+ HA      3 ARG+ QG      3.49                
  3 ARG+ HA      3 ARG+ QD      5.51                
  3 ARG+ HA      4 GLY  HN      2.62                
  3 ARG+ HA      4 GLY  QA      4.70                
  3 ARG+ HA     28 LEU  QQD     6.73                
  3 ARG+ HB2    28 LEU  QD1     9.64                
  3 ARG+ HB2    28 LEU  QD2     9.64                
  3 ARG+ HB3    28 LEU  QD1     9.64                
  3 ARG+ HB3    28 LEU  QD2     9.64                
  3 ARG+ QB     28 LEU  QQD     7.29                
  3 ARG+ QG      4 GLY  HN      5.42                
  3 ARG+ QD      4 GLY  HN      6.38                
  4 GLY  HN      5 ILE  HN      3.95                
  4 GLY  HN     28 LEU  HA      4.60                
  4 GLY  HN     28 LEU  HG      5.50                
  4 GLY  HN     28 LEU  QQD     6.24                
  4 GLY  HN     29 THR  HN      4.45                
  4 GLY  HN    119 ILE  QG2     5.69                
  4 GLY  HN    119 ILE  QD1     5.81                
  4 GLY  HA1     5 ILE  HN      3.21                
  4 GLY  HA1    28 LEU  QD1     7.29                
  4 GLY  HA1    28 LEU  QD2     7.29                
  4 GLY  HA1   115 VAL  QG1     5.38                
  4 GLY  HA1   115 VAL  QG2     6.47                
  4 GLY  HA1   119 ILE  QG2     4.82                
  4 GLY  HA2     5 ILE  HN      3.21                
  4 GLY  HA2    28 LEU  QD1     7.29                
  4 GLY  HA2    28 LEU  QD2     7.29                
  4 GLY  HA2   115 VAL  QG1     5.38                
  4 GLY  HA2   115 VAL  QG2     6.47                
  4 GLY  HA2   119 ILE  QG2     4.82                
  4 GLY  QA      5 ILE  HB      4.70                
  4 GLY  QA      5 ILE  QD1     6.16                
  4 GLY  QA     28 LEU  HA      5.01                
  4 GLY  QA     28 LEU  QQD     5.24                
  4 GLY  QA    115 VAL  QG2     6.34                
  4 GLY  QA    119 ILE  QG2     4.65                
  4 GLY  QA    119 ILE  QD1     5.82                
  5 ILE  HN      5 ILE  HB      3.24                
  5 ILE  HN      5 ILE  QG1     6.04                
  5 ILE  HN      5 ILE  QD1     5.23                
  5 ILE  HN      6 VAL  HN      4.60                
  5 ILE  HN     28 LEU  QD1     6.31                
  5 ILE  HN     28 LEU  QD2     6.31                
  5 ILE  HN     28 LEU  QQD     5.97                
  5 ILE  HN     29 THR  HB      5.50                
  5 ILE  HN     29 THR  QG2     6.53                
  5 ILE  HN     49 ASP- HN      4.04                
  5 ILE  HN     49 ASP- HA      5.50                
  5 ILE  HN     49 ASP- QB      5.20                
  5 ILE  HN     50 VAL  HN      4.88                
  5 ILE  HN    119 ILE  QD1     6.09                
  5 ILE  HA      6 VAL  HN      3.02                
  5 ILE  HA      6 VAL  QQG     7.03                
  5 ILE  HA     29 THR  HN      3.83                
  5 ILE  HA     29 THR  HB      4.35                
  5 ILE  HA     29 THR  QG2     5.32                
  5 ILE  HA     49 ASP- HN      5.50                
  5 ILE  HB      5 ILE  QD1     3.58                
  5 ILE  HB      7 TRP  HE1     5.50                
  5 ILE  HB     49 ASP- HN      4.04                
  5 ILE  HB     49 ASP- QB      6.38                
  5 ILE  QG2     6 VAL  HN      4.82                
  5 ILE  QG2     7 TRP  HN      4.76                
  5 ILE  QG2     7 TRP  HE1     4.33                
  5 ILE  QG2    29 THR  HB      5.07                
  5 ILE  QG2    29 THR  QG2     6.22                
  5 ILE  QG2    48 PRO  HA      4.14                
  5 ILE  QG2    48 PRO  HB2     4.92                
  5 ILE  QG2    48 PRO  HB3     4.92                
  5 ILE  QG2    48 PRO  QB      4.67                
  5 ILE  QG2    49 ASP- HN      5.13                
  5 ILE  QG2    50 VAL  HN      4.39                
  5 ILE  HG12   29 THR  HB      5.28                
  5 ILE  HG13   29 THR  HB      5.28                
  5 ILE  QG1     6 VAL  HN      6.38                
  5 ILE  QG1     7 TRP  HE1     6.38                
  5 ILE  QG1    29 THR  HN      6.38                
  5 ILE  QG1    29 THR  HB      4.89                
  5 ILE  QG1    29 THR  QG2     6.63                
  5 ILE  QG1    49 ASP- HN      6.38                
  5 ILE  QD1     6 VAL  HN      5.88                
  5 ILE  QD1     7 TRP  HE1     6.50                
  5 ILE  QD1    29 THR  HN      6.53                
  5 ILE  QD1    29 THR  HB      4.88                
  5 ILE  QD1    29 THR  QG2     6.75                
  5 ILE  QD1    48 PRO  HA      4.20                
  5 ILE  QD1    49 ASP- HN      5.85                
  5 ILE  QD1    50 VAL  HN      6.09                
  6 VAL  HN      6 VAL  HB      3.48                
  6 VAL  HN      6 VAL  QG1     4.64                
  6 VAL  HN      6 VAL  QG2     4.64                
  6 VAL  HN      6 VAL  QQG     4.20                
  6 VAL  HN      7 TRP  HN      4.72                
  6 VAL  HN      7 TRP  HD1     5.50                
  6 VAL  HN     28 LEU  HG      5.50                
  6 VAL  HN     29 THR  HN      4.72                
  6 VAL  HN     29 THR  HB      5.00                
  6 VAL  HN     29 THR  QG2     6.53                
  6 VAL  HN     30 CYS  HA      3.52                
  6 VAL  HN     31 THR  HN      4.20                
  6 VAL  HN     50 VAL  HN      5.50                
  6 VAL  HA      7 TRP  HN      3.17                
  6 VAL  HA     49 ASP- HN      5.50                
  6 VAL  HA     50 VAL  HN      5.50                
  6 VAL  HA     51 LEU  QQD     8.10                
  6 VAL  HB      7 TRP  HN      5.50                
  6 VAL  HB     29 THR  HN      5.50                
  6 VAL  HB     30 CYS  HA      4.57                
  6 VAL  HB     31 THR  HN      5.50                
  6 VAL  QG1     7 TRP  HN      4.57                
  6 VAL  QG1    30 CYS  HA      5.44                
  6 VAL  QG2     7 TRP  HN      4.57                
  6 VAL  QG2    30 CYS  HA      5.44                
  6 VAL  QQG     7 TRP  HN      4.15                
  6 VAL  QQG     7 TRP  HA      6.76                
  6 VAL  QQG    30 CYS  HN      8.09                
  6 VAL  QQG    30 CYS  HA      4.96                
  6 VAL  QQG    30 CYS  QB      8.03                
  6 VAL  QQG    31 THR  HN      7.34                
  6 VAL  QQG    31 THR  HB      7.84                
  7 TRP  HN      7 TRP  QB      3.79                
  7 TRP  HN      7 TRP  HD1     5.07                
  7 TRP  HN      7 TRP  HE3     5.50                
  7 TRP  HN     33 PHE  QE      7.62                
  7 TRP  HN     39 VAL  QQG     8.09                
  7 TRP  HN     48 PRO  QB      6.38                
  7 TRP  HN     51 LEU  HA      3.79                
  7 TRP  HN     51 LEU  QB      6.38                
  7 TRP  HN     51 LEU  HG      5.31                
  7 TRP  HN     51 LEU  QD1     5.32                
  7 TRP  HN     51 LEU  QD2     5.32                
  7 TRP  HN     51 LEU  QQD     4.77                
  7 TRP  HN     52 LEU  HN      4.45                
  7 TRP  HN     52 LEU  QQD     7.73                
  7 TRP  HA      7 TRP  HD1     2.49                
  7 TRP  HA      7 TRP  HE1     5.50                
  7 TRP  HA      8 VAL  HN      2.93                
  7 TRP  HA      8 VAL  QQG     7.34                
  7 TRP  HA     30 CYS  HA      4.17                
  7 TRP  HA     31 THR  HN      3.67                
  7 TRP  HA     31 THR  HB      4.72                
  7 TRP  HA     33 PHE  HN      5.50                
  7 TRP  QB      7 TRP  HD1     3.55                
  7 TRP  QB      8 VAL  HN      4.64                
  7 TRP  QB      9 VAL  QQG     8.69                
  7 TRP  QB     31 THR  HN      6.38                
  7 TRP  QB     39 VAL  QQG     7.38                
  7 TRP  QB     51 LEU  HN      6.38                
  7 TRP  QB     51 LEU  QQD     6.56                
  7 TRP  QB     52 LEU  HN      6.38                
  7 TRP  HD1     8 VAL  HN      5.13                
  7 TRP  HD1    30 CYS  HA      5.22                
  7 TRP  HD1    31 THR  HN      4.42                
  7 TRP  HD1    31 THR  HB      2.62                
  7 TRP  HD1    31 THR  QG2     4.36                
  7 TRP  HD1    48 PRO  QB      5.20                
  7 TRP  HE3    39 VAL  QG1     4.30                
  7 TRP  HE3    39 VAL  QG2     4.30                
  7 TRP  HE3    39 VAL  QQG     3.84                
  7 TRP  HE3    42 ALA  HN      5.50                
  7 TRP  HE3    51 LEU  QQD     5.68                
  7 TRP  HE1    29 THR  QG2     6.53                
  7 TRP  HE1    31 THR  HN      5.50                
  7 TRP  HE1    31 THR  HB      4.60                
  7 TRP  HE1    31 THR  QG2     6.19                
  7 TRP  HE1    33 PHE  QE      7.62                
  7 TRP  HE1    33 PHE  HZ      5.50                
  7 TRP  HE1    48 PRO  HA      5.50                
  7 TRP  HE1    48 PRO  QB      6.38                
  7 TRP  HE1    48 PRO  QG      6.38                
  7 TRP  HZ3    39 VAL  QQG     6.63                
  7 TRP  HZ3    42 ALA  HN      5.50                
  7 TRP  HZ3    42 ALA  QB      4.95                
  7 TRP  HZ3    43 LEU  HN      4.94                
  7 TRP  HZ3    43 LEU  HA      4.32                
  7 TRP  HZ3    43 LEU  HG      3.55                
  7 TRP  HZ3    47 THR  HA      5.25                
  7 TRP  HZ2    31 THR  QG2     5.78                
  7 TRP  HZ2    42 ALA  QB      4.33                
  7 TRP  HH2    42 ALA  QB      3.92                
  7 TRP  HH2    43 LEU  HN      5.28                
  7 TRP  HH2    43 LEU  HA      3.39                
  7 TRP  HH2    43 LEU  QQD     5.90                
  7 TRP  HH2    46 LYS+ HN      5.41                
  8 VAL  HN      8 VAL  HB      3.45                
  8 VAL  HN      9 VAL  HN      4.66                
  8 VAL  HN     19 LEU  QB      6.38                
  8 VAL  HN     19 LEU  QQD     8.10                
  8 VAL  HN     30 CYS  HA      5.16                
  8 VAL  HN     30 CYS  HG      5.50                
  8 VAL  HN     31 THR  HB      5.50                
  8 VAL  HN     31 THR  QG2     6.53                
  8 VAL  HN     32 THR  HA      3.36                
  8 VAL  HN     32 THR  HB      5.50                
  8 VAL  HN     32 THR  QG2     5.10                
  8 VAL  HN     33 PHE  HN      4.11                
  8 VAL  HN     33 PHE  QD      7.62                
  8 VAL  HN     33 PHE  QE      7.62                
  8 VAL  HN     52 LEU  QB      6.38                
  8 VAL  HN     52 LEU  QQD     8.10                
  8 VAL  HA      9 VAL  HN      3.08                
  8 VAL  HA     51 LEU  HG      5.50                
  8 VAL  HA     51 LEU  QQD     7.38                
  8 VAL  HA     52 LEU  HN      3.52                
  8 VAL  HA     52 LEU  QB      6.28                
  8 VAL  HA     81 MET  QE      5.63                
  8 VAL  HB      9 VAL  HN      4.38                
  8 VAL  HB     32 THR  HN      5.50                
  8 VAL  HB     32 THR  HA      4.38                
  8 VAL  HB     32 THR  QG2     4.14                
  8 VAL  HB     33 PHE  HN      5.28                
  8 VAL  QG1    10 ASP- HB2     8.53                
  8 VAL  QG1    10 ASP- HB3     8.53                
  8 VAL  QG2    10 ASP- HB2     8.53                
  8 VAL  QG2    10 ASP- HB3     8.53                
  8 VAL  QQG     9 VAL  HN      6.51                
  8 VAL  QQG    10 ASP- QB      6.85                
  8 VAL  QQG    32 THR  HN      8.09                
  8 VAL  QQG    32 THR  HA      6.76                
  8 VAL  QQG    32 THR  HB      7.19                
  8 VAL  QQG    32 THR  QG2     7.53                
  8 VAL  QQG    33 PHE  HN      7.75                
  8 VAL  QQG    54 ASP- HN      8.09                
  9 VAL  HN      9 VAL  HB      4.17                
  9 VAL  HN      9 VAL  QG1     4.79                
  9 VAL  HN      9 VAL  QG2     4.79                
  9 VAL  HN     10 ASP- HN      4.54                
  9 VAL  HN     10 ASP- QB      5.85                
  9 VAL  HN     39 VAL  QQG     8.09                
  9 VAL  HN     52 LEU  QB      6.38                
  9 VAL  HN     53 SER  HA      3.67                
  9 VAL  HN     54 ASP- HN      5.07                
  9 VAL  HN     56 ARG+ QD      6.38                
  9 VAL  HN     81 MET  QE      5.57                
  9 VAL  HA     10 ASP- HN      3.24                
  9 VAL  HA     33 PHE  HN      3.79                
  9 VAL  HA     34 GLU- HN      4.85                
  9 VAL  HB     39 VAL  QQG     7.72                
  9 VAL  HB     53 SER  HA      4.76                
  9 VAL  HB     54 ASP- HA      5.25                
  9 VAL  QG1    10 ASP- HN      5.91                
  9 VAL  QG1    33 PHE  HN      5.78                
  9 VAL  QG1    33 PHE  QD      8.65                
  9 VAL  QG1    53 SER  HA      5.75                
  9 VAL  QG2    10 ASP- HN      5.91                
  9 VAL  QG2    33 PHE  HN      5.78                
  9 VAL  QG2    33 PHE  QD      8.65                
  9 VAL  QG2    53 SER  HA      5.75                
  9 VAL  QQG    10 ASP- HN      5.43                
  9 VAL  QQG    33 PHE  HN      5.46                
  9 VAL  QQG    33 PHE  QB      7.66                
  9 VAL  QQG    33 PHE  QD      8.37                
  9 VAL  QQG    34 GLU- HN      8.09                
  9 VAL  QQG    35 ASN  HN      7.81                
  9 VAL  QQG    36 GLY  QA      8.53                
  9 VAL  QQG    53 SER  HA      5.04                
  9 VAL  QQG    53 SER  QB      7.60                
  9 VAL  QQG    54 ASP- HN      7.41                
  9 VAL  QQG    57 MET  QE      8.09                
 10 ASP- HN     16 ARG+ QD      6.38                
 10 ASP- HN     32 THR  HA      5.28                
 10 ASP- HN     33 PHE  HN      4.29                
 10 ASP- HN     33 PHE  QB      6.38                
 10 ASP- HN     33 PHE  QD      7.62                
 10 ASP- HN     34 GLU- HA      3.52                
 10 ASP- HN     34 GLU- QB      6.38                
 10 ASP- HN     35 ASN  HN      5.04                
 10 ASP- HA     11 ASP- HN      3.17                
 10 ASP- HA     54 ASP- HN      3.70                
 10 ASP- HA     54 ASP- HA      5.50                
 10 ASP- HA     54 ASP- QB      5.57                
 10 ASP- HA     81 MET  QE      5.69                
 10 ASP- HB2    11 ASP- HN      4.51                
 10 ASP- HB2    16 ARG+ HN      5.50                
 10 ASP- HB2    34 GLU- HB2     6.23                
 10 ASP- HB2    34 GLU- HB3     6.23                
 10 ASP- HB3    11 ASP- HN      4.51                
 10 ASP- HB3    16 ARG+ HN      5.50                
 10 ASP- HB3    34 GLU- HB2     6.23                
 10 ASP- HB3    34 GLU- HB3     6.23                
 10 ASP- QB     12 ASP- HN      5.79                
 10 ASP- QB     15 ILE  QG2     6.04                
 10 ASP- QB     34 GLU- QB      5.33                
 11 ASP- HN     11 ASP- HB2     3.61                
 11 ASP- HN     11 ASP- HB3     3.61                
 11 ASP- HN     11 ASP- QB      3.28                
 11 ASP- HN     12 ASP- HN      3.89                
 11 ASP- HN     12 ASP- QB      5.54                
 11 ASP- HN     54 ASP- QB      6.38                
 11 ASP- HN     57 MET  QE      6.53                
 11 ASP- HA     56 ARG+ QB      5.76                
 11 ASP- HA     56 ARG+ HG2     5.50                
 11 ASP- HA     56 ARG+ HG3     5.50                
 11 ASP- HA     56 ARG+ QG      5.32                
 11 ASP- HA     56 ARG+ QD      5.66                
 12 ASP- HN     12 ASP- HB2     3.70                
 12 ASP- HN     12 ASP- HB3     3.70                
 12 ASP- HN     13 SER  HN      4.66                
 12 ASP- HN     13 SER  QB      6.19                
 12 ASP- HN     15 ILE  QG1     6.38                
 12 ASP- HN     34 GLU- QG      6.38                
 12 ASP- HA     13 SER  HN      2.80                
 12 ASP- HA     14 SER  HN      5.50                
 12 ASP- HB2    14 SER  HN      5.22                
 12 ASP- HB2    15 ILE  HN      4.48                
 12 ASP- HB2    16 ARG+ HN      4.91                
 12 ASP- HB3    14 SER  HN      5.22                
 12 ASP- HB3    15 ILE  HN      4.48                
 12 ASP- HB3    16 ARG+ HN      4.91                
 12 ASP- QB     14 SER  HN      4.87                
 12 ASP- QB     15 ILE  HN      4.28                
 12 ASP- QB     16 ARG+ HN      4.66                
 13 SER  HN     13 SER  QB      3.86                
 13 SER  HN     14 SER  HN      3.48                
 13 SER  HN     15 ILE  HN      5.04                
 13 SER  HA     14 SER  HN      3.55                
 13 SER  HA     15 ILE  HN      4.29                
 13 SER  HA     16 ARG+ HN      3.95                
 13 SER  HA     16 ARG+ QD      5.69                
 14 SER  HN     14 SER  HB2     3.58                
 14 SER  HN     14 SER  HB3     3.58                
 14 SER  HN     14 SER  QB      3.18                
 14 SER  HN     15 ILE  HN      3.24                
 14 SER  HN     15 ILE  HB      4.20                
 14 SER  HN     15 ILE  QG2     6.53                
 14 SER  HN     15 ILE  QG1     6.38                
 14 SER  HN     15 ILE  QD1     6.53                
 14 SER  HN     16 ARG+ HN      4.26                
 14 SER  HN     16 ARG+ QG      6.38                
 14 SER  HN     17 TRP  QB      5.73                
 14 SER  HA     17 TRP  HN      3.86                
 14 SER  HA     17 TRP  QB      4.58                
 14 SER  HA     18 VAL  HN      4.23                
 15 ILE  HN     15 ILE  HB      3.33                
 15 ILE  HN     15 ILE  QG1     5.07                
 15 ILE  HN     15 ILE  QD1     6.06                
 15 ILE  HN     16 ARG+ HN      3.45                
 15 ILE  HN     16 ARG+ QG      6.38                
 15 ILE  HN     17 TRP  HN      4.85                
 15 ILE  HA     15 ILE  QD1     4.11                
 15 ILE  HA     17 TRP  HN      4.20                
 15 ILE  HA     18 VAL  HN      3.79                
 15 ILE  HA     18 VAL  HB      3.48                
 15 ILE  HA     18 VAL  QG1     4.33                
 15 ILE  HA     18 VAL  QG2     4.33                
 15 ILE  HA     18 VAL  QQG     3.97                
 15 ILE  HB     16 ARG+ HN      3.45                
 15 ILE  QG2    16 ARG+ HN      5.50                
 15 ILE  QG2    17 TRP  HN      6.53                
 15 ILE  QG2    18 VAL  HN      6.53                
 15 ILE  QG2    19 LEU  QB      4.99                
 15 ILE  QG2    19 LEU  HG      4.57                
 15 ILE  QG2   104 LYS+ QE      6.60                
 15 ILE  QG2   106 PHE  QD      8.43                
 15 ILE  QG2   108 ILE  QG1     5.05                
 15 ILE  QG1    16 ARG+ HN      6.38                
 15 ILE  QD1    16 ARG+ HN      6.53                
 15 ILE  QD1    18 VAL  HB      5.54                
 15 ILE  QD1    18 VAL  QQG     8.74                
 15 ILE  QD1    19 LEU  QB      7.40                
 15 ILE  QD1   104 LYS+ QB      6.32                
 15 ILE  QD1   104 LYS+ QD      5.85                
 15 ILE  QD1   104 LYS+ HE2     5.91                
 15 ILE  QD1   104 LYS+ HE3     5.91                
 15 ILE  QD1   104 LYS+ QE      5.70                
 15 ILE  QD1   106 PHE  HN      6.53                
 15 ILE  QD1   106 PHE  QE      7.60                
 16 ARG+ HN     16 ARG+ QG      5.17                
 16 ARG+ HN     16 ARG+ QD      6.38                
 16 ARG+ HN     17 TRP  HN      3.64                
 16 ARG+ HN     17 TRP  QB      5.97                
 16 ARG+ HN     18 VAL  QQG     6.88                
 16 ARG+ HA     19 LEU  HN      3.86                
 16 ARG+ HA     20 GLU- HN      4.07                
 16 ARG+ HA     32 THR  QG2     4.85                
 16 ARG+ QB     19 LEU  HN      6.38                
 16 ARG+ QB     32 THR  HB      6.38                
 16 ARG+ QG     17 TRP  HN      5.73                
 16 ARG+ QG     18 VAL  HN      6.38                
 16 ARG+ QD     17 TRP  HN      6.38                
 16 ARG+ QD     32 THR  HB      5.97                
 16 ARG+ QD     32 THR  QG2     6.41                
 16 ARG+ QD     33 PHE  HN      6.38                
 17 TRP  HN     17 TRP  HB2     3.27                
 17 TRP  HN     17 TRP  HB3     3.27                
 17 TRP  HN     17 TRP  HD1     5.50                
 17 TRP  HN     18 VAL  HN      3.55                
 17 TRP  HN     18 VAL  HB      4.51                
 17 TRP  HN     18 VAL  QQG     7.84                
 17 TRP  HN     19 LEU  QQD     8.10                
 17 TRP  HA     17 TRP  HD1     4.32                
 17 TRP  HA     20 GLU- HN      3.64                
 17 TRP  HA     20 GLU- QB      4.49                
 17 TRP  HA     21 ARG+ HN      3.61                
 17 TRP  QB     17 TRP  HD1     3.30                
 17 TRP  QB     18 VAL  HN      4.33                
 17 TRP  HD1    18 VAL  HN      5.50                
 17 TRP  HD1    18 VAL  QQG     5.55                
 17 TRP  HE3    18 VAL  HN      4.79                
 17 TRP  HE1    21 ARG+ QG      6.38                
 17 TRP  HE1    21 ARG+ QD      6.38                
 17 TRP  HZ3    18 VAL  HN      5.50                
 17 TRP  HZ3    18 VAL  QQG     6.57                
 17 TRP  HZ2    21 ARG+ QD      6.38                
 18 VAL  HN     18 VAL  HB      3.02                
 18 VAL  HN     18 VAL  QG1     4.17                
 18 VAL  HN     18 VAL  QG2     4.17                
 18 VAL  HN     19 LEU  HG      5.50                
 18 VAL  HN     19 LEU  QQD     8.10                
 18 VAL  HN     20 GLU- HN      4.29                
 18 VAL  HA     18 VAL  HB      2.96                
 18 VAL  HA     21 ARG+ HN      3.33                
 18 VAL  HA     21 ARG+ HB2     3.67                
 18 VAL  HA     21 ARG+ HB3     3.67                
 18 VAL  HA     21 ARG+ QD      6.38                
 18 VAL  HA     22 ALA  HN      4.04                
 18 VAL  HB     19 LEU  HN      3.52                
 18 VAL  HB     22 ALA  QB      6.06                
 18 VAL  HB    108 ILE  QG2     6.31                
 18 VAL  HB    108 ILE  QD1     5.47                
 18 VAL  QG1    19 LEU  HN      5.94                
 18 VAL  QG1   108 ILE  HB      5.97                
 18 VAL  QG1   108 ILE  QD1     6.25                
 18 VAL  QG2    19 LEU  HN      5.94                
 18 VAL  QG2   108 ILE  HB      5.97                
 18 VAL  QG2   108 ILE  QD1     6.25                
 18 VAL  QQG    19 LEU  HN      5.07                
 18 VAL  QQG    19 LEU  HA      6.79                
 18 VAL  QQG    19 LEU  QB      8.41                
 18 VAL  QQG    19 LEU  HG      8.09                
 18 VAL  QQG    19 LEU  QQD    10.22                
 18 VAL  QQG    21 ARG+ HN      6.63                
 18 VAL  QQG    22 ALA  QB      8.90                
 18 VAL  QQG   108 ILE  HA      7.44                
 18 VAL  QQG   108 ILE  HB      5.48                
 18 VAL  QQG   108 ILE  QG1     7.01                
 18 VAL  QQG   108 ILE  QD1     5.90                
 19 LEU  HN     19 LEU  HB2     3.79                
 19 LEU  HN     19 LEU  HB3     3.79                
 19 LEU  HN     19 LEU  QB      3.29                
 19 LEU  HN     19 LEU  HG      3.89                
 19 LEU  HN     19 LEU  QD1     5.47                
 19 LEU  HN     19 LEU  QD2     5.47                
 19 LEU  HN     19 LEU  QQD     4.94                
 19 LEU  HN     20 GLU- HN      3.33                
 19 LEU  HN    108 ILE  QD1     5.38                
 19 LEU  HA     19 LEU  QD1     5.13                
 19 LEU  HA     19 LEU  QD2     5.13                
 19 LEU  HA     19 LEU  QQD     4.25                
 19 LEU  HA     23 LEU  HN      3.58                
 19 LEU  HA    108 ILE  QG2     4.20                
 19 LEU  QB     20 GLU- HN      4.33                
 19 LEU  QB     23 LEU  HN      5.04                
 19 LEU  HG     20 GLU- HN      5.31                
 19 LEU  QD1    20 GLU- HN      6.53                
 19 LEU  QD1   108 ILE  QD1     7.49                
 19 LEU  QD2    20 GLU- HN      6.53                
 19 LEU  QD2   108 ILE  QD1     7.49                
 19 LEU  QQD    20 GLU- HN      5.87                
 19 LEU  QQD    21 ARG+ HN      8.10                
 19 LEU  QQD    22 ALA  QB      7.98                
 19 LEU  QQD    81 MET  QE      6.86                
 19 LEU  QQD   106 PHE  QE      8.73                
 19 LEU  QQD   108 ILE  QG2     6.89                
 19 LEU  QQD   108 ILE  QD1     6.72                
 20 GLU- HN     20 GLU- HG2     4.35                
 20 GLU- HN     20 GLU- HG3     4.35                
 20 GLU- HN     21 ARG+ HN      3.45                
 20 GLU- HA     20 GLU- HG2     3.70                
 20 GLU- HA     20 GLU- HG3     3.70                
 20 GLU- HA     20 GLU- QG      3.49                
 20 GLU- HA     23 LEU  QB      4.42                
 20 GLU- HA     23 LEU  QQD     6.55                
 20 GLU- HA     24 ALA  HN      3.64                
 20 GLU- HA     30 CYS  HB2     5.47                
 20 GLU- HA     30 CYS  HB3     5.47                
 20 GLU- HA     30 CYS  QB      5.02                
 20 GLU- HA     31 THR  HN      5.50                
 20 GLU- QB     21 ARG+ HN      4.39                
 20 GLU- QB     32 THR  QG2     5.45                
 20 GLU- HG2    30 CYS  HB2     6.35                
 20 GLU- HG2    30 CYS  HB3     6.35                
 20 GLU- HG3    30 CYS  HB2     6.35                
 20 GLU- HG3    30 CYS  HB3     6.35                
 20 GLU- QG     21 ARG+ HN      5.66                
 20 GLU- QG     24 ALA  QB      6.29                
 20 GLU- QG     30 CYS  HN      6.38                
 20 GLU- QG     30 CYS  QB      5.34                
 20 GLU- QG     32 THR  HN      6.38                
 20 GLU- QG     32 THR  QG2     6.10                
 21 ARG+ HN     21 ARG+ HB2     3.58                
 21 ARG+ HN     21 ARG+ HB3     3.58                
 21 ARG+ HN     21 ARG+ QB      3.30                
 21 ARG+ HN     21 ARG+ QG      5.35                
 21 ARG+ HN     21 ARG+ QD      6.35                
 21 ARG+ HN     22 ALA  HN      5.50                
 21 ARG+ HN     23 LEU  HN      4.57                
 21 ARG+ HN     23 LEU  QQD     8.10                
 21 ARG+ HN    108 ILE  QG2     6.53                
 21 ARG+ HN    108 ILE  QG1     6.38                
 21 ARG+ HA     21 ARG+ QD      6.38                
 21 ARG+ HA     24 ALA  HN      3.70                
 21 ARG+ QB     22 ALA  HN      4.30                
 21 ARG+ QG     25 GLY  HN      6.38                
 21 ARG+ QG     26 ALA  HN      6.38                
 21 ARG+ QD     22 ALA  HN      6.38                
 22 ALA  HN     22 ALA  HA      2.83                
 22 ALA  HN     23 LEU  HN      3.42                
 22 ALA  HA     24 ALA  HN      4.32                
 22 ALA  HA     25 GLY  HN      3.76                
 22 ALA  HA    108 ILE  QG2     5.04                
 22 ALA  QB     23 LEU  QB      5.82                
 22 ALA  QB     23 LEU  QQD     8.20                
 22 ALA  QB    108 ILE  QG2     5.29                
 23 LEU  HN     23 LEU  HB2     3.45                
 23 LEU  HN     23 LEU  HB3     3.45                
 23 LEU  HN     23 LEU  QB      3.08                
 23 LEU  HN     23 LEU  QD1     5.54                
 23 LEU  HN     23 LEU  QD2     5.54                
 23 LEU  HN     23 LEU  QQD     4.83                
 23 LEU  HN     24 ALA  HN      3.39                
 23 LEU  HN     24 ALA  QB      5.88                
 23 LEU  HN     25 GLY  HN      4.07                
 23 LEU  HN    112 VAL  QG2     5.94                
 23 LEU  HA     23 LEU  QD1     4.20                
 23 LEU  HA     23 LEU  QD2     4.20                
 23 LEU  HA     23 LEU  QQD     3.80                
 23 LEU  HA     28 LEU  HN      5.50                
 23 LEU  HA    112 VAL  QG2     4.67                
 23 LEU  HB2    24 ALA  HN      3.76                
 23 LEU  HB3    24 ALA  HN      3.76                
 23 LEU  QB     24 ALA  HN      3.50                
 23 LEU  QB     25 GLY  HN      5.51                
 23 LEU  QB     26 ALA  HN      5.57                
 23 LEU  QB     30 CYS  HN      6.38                
 23 LEU  QB    112 VAL  QG2     5.88                
 23 LEU  HG     26 ALA  HN      5.50                
 23 LEU  QQD    24 ALA  HN      7.01                
 23 LEU  QQD    25 GLY  HN      8.10                
 23 LEU  QQD    26 ALA  HN      7.11                
 23 LEU  QQD    26 ALA  QB      7.14                
 23 LEU  QQD    27 GLY  HN      8.10                
 23 LEU  QQD   112 VAL  HN      8.10                
 23 LEU  QQD   112 VAL  HA      6.55                
 24 ALA  HN     25 GLY  HN      3.36                
 24 ALA  HN     25 GLY  QA      4.49                
 24 ALA  HN     26 ALA  HN      4.38                
 24 ALA  HA     26 ALA  HN      4.11                
 24 ALA  HA     27 GLY  HN      3.48                
 24 ALA  HA     28 LEU  HN      3.24                
 24 ALA  QB     25 GLY  HN      4.33                
 24 ALA  QB     25 GLY  QA      5.20                
 24 ALA  QB     30 CYS  HN      6.53                
 25 GLY  HN     26 ALA  HN      2.99                
 25 GLY  HN     26 ALA  HA      4.66                
 25 GLY  HN     28 LEU  QB      5.76                
 25 GLY  QA     27 GLY  HN      4.86                
 26 ALA  HN     27 GLY  HN      3.27                
 26 ALA  HN     27 GLY  QA      5.17                
 26 ALA  HN     28 LEU  HN      3.83                
 26 ALA  HN     28 LEU  QB      5.54                
 26 ALA  HN    112 VAL  HB      5.50                
 26 ALA  HN    112 VAL  QG1     6.03                
 26 ALA  HN    112 VAL  QG2     6.53                
 26 ALA  HA     27 GLY  HN      3.33                
 26 ALA  QB     27 GLY  QA      6.72                
 27 GLY  HN     28 LEU  HN      3.08                
 27 GLY  HN     28 LEU  QB      5.45                
 28 LEU  HN     28 LEU  HB2     3.42                
 28 LEU  HN     28 LEU  HB3     3.42                
 28 LEU  HN     28 LEU  QB      2.96                
 28 LEU  HN     28 LEU  QD1     5.54                
 28 LEU  HN     28 LEU  QD2     5.54                
 28 LEU  HN     28 LEU  QQD     5.04                
 28 LEU  HN     29 THR  HN      4.26                
 28 LEU  HA     28 LEU  QD1     5.54                
 28 LEU  HA     28 LEU  QD2     5.54                
 28 LEU  HA     29 THR  HN      2.96                
 28 LEU  QB     29 THR  HN      5.26                
 28 LEU  QQD    29 THR  HN      6.36                
 28 LEU  QQD   112 VAL  HN      8.10                
 28 LEU  QQD   112 VAL  HB      7.07                
 28 LEU  QQD   113 ALA  HN      8.10                
 28 LEU  QQD   116 GLU- HN      7.82                
 28 LEU  QQD   116 GLU- QG      7.98                
 29 THR  HN     29 THR  HB      3.24                
 29 THR  HN     30 CYS  HN      5.50                
 29 THR  HA     30 CYS  HN      2.80                
 29 THR  HB     30 CYS  HN      3.79                
 29 THR  QG2    30 CYS  HN      4.30                
 30 CYS  HN     30 CYS  HB2     3.70                
 30 CYS  HN     30 CYS  HB3     3.70                
 30 CYS  HN     30 CYS  QB      3.47                
 30 CYS  HA     30 CYS  HG      4.42                
 30 CYS  HA     31 THR  HN      2.99                
 30 CYS  HB2    31 THR  HN      5.50                
 30 CYS  HB3    31 THR  HN      5.50                
 30 CYS  QB     31 THR  HN      4.90                
 30 CYS  HG     31 THR  HN      4.79                
 30 CYS  HG     31 THR  QG2     5.75                
 30 CYS  HG     32 THR  HN      5.50                
 31 THR  HN     31 THR  HB      3.58                
 31 THR  HN     32 THR  HN      3.92                
 31 THR  HN     32 THR  HA      5.04                
 31 THR  HN     32 THR  QG2     6.53                
 31 THR  HN     33 PHE  QE      7.62                
 31 THR  HA     32 THR  HN      2.71                
 31 THR  HA     32 THR  QG2     5.01                
 31 THR  HB     33 PHE  QE      7.62                
 31 THR  QG2    32 THR  HN      4.23                
 31 THR  QG2    32 THR  QG2     7.56                
 31 THR  QG2    33 PHE  HN      6.53                
 31 THR  QG2    33 PHE  QD      7.29                
 31 THR  QG2    33 PHE  QE      7.60                
 31 THR  QG2    33 PHE  HZ      4.08                
 32 THR  HN     32 THR  HB      4.07                
 32 THR  HN     32 THR  QG2     4.33                
 32 THR  HN     33 PHE  HN      4.35                
 32 THR  HA     33 PHE  HN      3.08                
 32 THR  HA     33 PHE  QD      7.62                
 32 THR  HB     33 PHE  HN      3.39                
 32 THR  HB     34 GLU- HN      4.79                
 32 THR  QG2    33 PHE  HN      5.10                
 32 THR  QG2    34 GLU- QG      7.40                
 33 PHE  HN     33 PHE  HB2     3.89                
 33 PHE  HN     33 PHE  HB3     3.89                
 33 PHE  HN     33 PHE  QB      3.72                
 33 PHE  HN     33 PHE  QE      7.62                
 33 PHE  HN     35 ASN  HN      5.50                
 33 PHE  HA     34 GLU- HN      2.93                
 33 PHE  HA     35 ASN  HN      3.70                
 33 PHE  HA     38 GLU- QB      6.16                
 33 PHE  QB     34 GLU- HN      4.55                
 33 PHE  QB     35 ASN  HN      4.83                
 33 PHE  QB     39 VAL  HN      6.38                
 33 PHE  QD     34 GLU- HN      7.62                
 33 PHE  QD     35 ASN  HN      7.62                
 33 PHE  QD     38 GLU- QB      7.88                
 33 PHE  QD     38 GLU- HG2     7.62                
 33 PHE  QD     38 GLU- HG3     7.62                
 33 PHE  QD     42 ALA  QB      7.44                
 33 PHE  QD     43 LEU  QQD     9.07                
 33 PHE  QD     51 LEU  QQD     9.35                
 33 PHE  QE     39 VAL  HN      7.62                
 33 PHE  QE     39 VAL  QQG     9.09                
 33 PHE  QE     42 ALA  HN      7.62                
 33 PHE  QE     42 ALA  QB      7.13                
 33 PHE  QE     51 LEU  QQD    10.22                
 33 PHE  HZ     42 ALA  QB      4.11                
 34 GLU- HN     34 GLU- QB      3.62                
 34 GLU- HN     34 GLU- HG2     4.48                
 34 GLU- HN     34 GLU- HG3     4.48                
 34 GLU- HN     34 GLU- QG      4.24                
 34 GLU- HN     35 ASN  HN      3.27                
 34 GLU- HN     39 VAL  QQG     8.09                
 34 GLU- HB2    35 ASN  HD21    7.23                
 34 GLU- HB2    35 ASN  HD22    7.23                
 34 GLU- HB3    35 ASN  HD21    7.23                
 34 GLU- HB3    35 ASN  HD22    7.23                
 34 GLU- QB     35 ASN  HN      4.49                
 34 GLU- QB     35 ASN  QD2     6.31                
 34 GLU- HG2    35 ASN  HD21    7.25                
 34 GLU- HG2    35 ASN  HD22    7.25                
 34 GLU- HG3    35 ASN  HD21    7.25                
 34 GLU- HG3    35 ASN  HD22    7.25                
 34 GLU- QG     35 ASN  HN      5.14                
 34 GLU- QG     35 ASN  QD2     6.32                
 35 ASN  HN     35 ASN  QB      3.86                
 35 ASN  HN     36 GLY  QA      5.94                
 35 ASN  HN     39 VAL  QG1     6.53                
 35 ASN  HN     39 VAL  QG2     6.53                
 35 ASN  HN     39 VAL  QQG     6.18                
 35 ASN  HA     37 ASN  HN      4.07                
 35 ASN  HB2    37 ASN  HN      4.01                
 35 ASN  HB3    37 ASN  HN      4.01                
 35 ASN  QB     36 GLY  HN      4.24                
 35 ASN  QB     37 ASN  HN      3.85                
 35 ASN  QB     39 VAL  HN      5.76                
 35 ASN  HD21   38 GLU- HG2     7.25                
 35 ASN  HD21   38 GLU- HG3     7.25                
 35 ASN  HD22   38 GLU- HG2     7.25                
 35 ASN  HD22   38 GLU- HG3     7.25                
 35 ASN  QD2    38 GLU- QB      7.24                
 35 ASN  QD2    38 GLU- QG      6.32                
 36 GLY  HN     37 ASN  HN      3.92                
 36 GLY  HN     57 MET  QE      5.13                
 36 GLY  HA1    39 VAL  QG1     7.01                
 36 GLY  HA1    39 VAL  QG2     7.01                
 36 GLY  HA2    39 VAL  QG1     7.01                
 36 GLY  HA2    39 VAL  QG2     7.01                
 36 GLY  QA     39 VAL  HN      4.98                
 36 GLY  QA     39 VAL  QQG     5.40                
 36 GLY  QA     40 LEU  HN      5.69                
 37 ASN  HN     37 ASN  HB2     3.45                
 37 ASN  HN     37 ASN  HB3     3.45                
 37 ASN  HN     37 ASN  QB      3.21                
 37 ASN  HN     37 ASN  HD21    5.50                
 37 ASN  HN     37 ASN  HD22    5.50                
 37 ASN  HN     38 GLU- HN      3.33                
 37 ASN  HN     38 GLU- HA      5.50                
 37 ASN  HN     38 GLU- QB      5.51                
 37 ASN  HN     39 VAL  HN      4.29                
 37 ASN  HN     39 VAL  QQG     8.09                
 37 ASN  HN     40 LEU  HN      5.50                
 37 ASN  HN     40 LEU  HB2     5.50                
 37 ASN  HN     40 LEU  HB3     5.50                
 37 ASN  HN     40 LEU  QQD     8.10                
 37 ASN  HN     57 MET  QE      6.37                
 37 ASN  HA     37 ASN  HB2     3.05                
 37 ASN  HA     37 ASN  HB3     3.05                
 37 ASN  HA     39 VAL  HN      4.66                
 37 ASN  HA     40 LEU  HN      3.45                
 37 ASN  HA     40 LEU  HB2     3.45                
 37 ASN  HA     40 LEU  HB3     3.45                
 37 ASN  HA     40 LEU  QB      3.12                
 37 ASN  HA     40 LEU  QQD     6.05                
 37 ASN  HA     41 ALA  HN      4.54                
 37 ASN  HB2    38 GLU- HN      3.79                
 37 ASN  HB3    38 GLU- HN      3.79                
 37 ASN  QB     38 GLU- HN      3.55                
 38 GLU- HN     38 GLU- HG2     4.01                
 38 GLU- HN     38 GLU- HG3     4.01                
 38 GLU- HN     38 GLU- QG      3.74                
 38 GLU- HN     39 VAL  HN      3.52                
 38 GLU- HN     40 LEU  HN      4.26                
 38 GLU- HA     38 GLU- HG2     3.73                
 38 GLU- HA     38 GLU- HG3     3.73                
 38 GLU- HA     39 VAL  HN      3.58                
 38 GLU- HA     41 ALA  HN      3.33                
 38 GLU- HA     41 ALA  QB      3.71                
 38 GLU- HA     42 ALA  HN      4.20                
 38 GLU- QB     39 VAL  QQG     8.81                
 38 GLU- QB     40 LEU  HN      6.07                
 38 GLU- QB     42 ALA  HN      6.19                
 38 GLU- QG     39 VAL  HN      6.38                
 38 GLU- QG     39 VAL  HA      6.28                
 38 GLU- QG     39 VAL  QQG     8.10                
 38 GLU- QG     41 ALA  HN      6.38                
 39 VAL  HN     39 VAL  HB      3.17                
 39 VAL  HN     39 VAL  QQG     4.17                
 39 VAL  HN     40 LEU  HN      3.45                
 39 VAL  HN     40 LEU  QB      5.23                
 39 VAL  HN     41 ALA  HN      4.48                
 39 VAL  HN     42 ALA  QB      6.53                
 39 VAL  HN     43 LEU  QB      6.38                
 39 VAL  HA     41 ALA  HN      4.88                
 39 VAL  HA     42 ALA  HN      3.42                
 39 VAL  HA     42 ALA  QB      4.39                
 39 VAL  HA     43 LEU  HN      4.51                
 39 VAL  HB     40 LEU  HN      3.61                
 39 VAL  QG1    40 LEU  HN      5.66                
 39 VAL  QG1    42 ALA  QB      7.34                
 39 VAL  QG1    43 LEU  HN      6.53                
 39 VAL  QG2    40 LEU  HN      5.66                
 39 VAL  QG2    42 ALA  QB      7.34                
 39 VAL  QG2    43 LEU  HN      6.53                
 39 VAL  QQG    40 LEU  HN      4.89                
 39 VAL  QQG    42 ALA  HN      8.09                
 39 VAL  QQG    43 LEU  HN      6.06                
 39 VAL  QQG    43 LEU  QQD     9.54                
 39 VAL  QQG    51 LEU  QB      8.34                
 39 VAL  QQG    51 LEU  QQD     9.51                
 40 LEU  HN     40 LEU  HB2     3.24                
 40 LEU  HN     40 LEU  HB3     3.24                
 40 LEU  HN     40 LEU  QB      3.02                
 40 LEU  HN     40 LEU  HG      3.70                
 40 LEU  HN     40 LEU  QD1     6.53                
 40 LEU  HN     40 LEU  QD2     6.53                
 40 LEU  HN     40 LEU  QQD     5.40                
 40 LEU  HN     41 ALA  HN      3.36                
 40 LEU  HN     42 ALA  HN      3.36                
 40 LEU  HA     40 LEU  HG      3.24                
 40 LEU  HA     40 LEU  QD1     4.85                
 40 LEU  HA     40 LEU  QD2     4.85                
 40 LEU  HA     40 LEU  QQD     3.95                
 40 LEU  HA     43 LEU  HN      3.55                
 40 LEU  HA     44 ALA  HN      5.50                
 40 LEU  QB     41 ALA  HN      4.49                
 40 LEU  QB     42 ALA  HN      5.38                
 40 LEU  HG     41 ALA  HN      5.50                
 40 LEU  HG     42 ALA  HN      5.50                
 40 LEU  QD1    42 ALA  HN      6.53                
 40 LEU  QD2    42 ALA  HN      6.53                
 40 LEU  QQD    41 ALA  HN      8.04                
 40 LEU  QQD    42 ALA  HN      6.26                
 40 LEU  QQD    44 ALA  QB      9.13                
 40 LEU  QQD    68 GLN  HA      6.70                
 41 ALA  HN     41 ALA  HA      2.83                
 41 ALA  HN     41 ALA  QB      3.64                
 41 ALA  HN     42 ALA  QB      6.09                
 41 ALA  HN     43 LEU  HN      4.48                
 41 ALA  HA     44 ALA  HN      3.58                
 41 ALA  QB     43 LEU  HN      5.91                
 42 ALA  HN     43 LEU  HN      3.30                
 42 ALA  HN     43 LEU  QB      5.11                
 42 ALA  HN     44 ALA  HN      3.86                
 42 ALA  HA     43 LEU  HN      3.61                
 42 ALA  QB     44 ALA  HN      6.06                
 42 ALA  QB     45 SER  HN      6.53                
 42 ALA  QB     46 LYS+ HN      6.53                
 43 LEU  HN     43 LEU  HB2     3.39                
 43 LEU  HN     43 LEU  HB3     3.39                
 43 LEU  HN     43 LEU  QB      3.17                
 43 LEU  HN     43 LEU  QQD     6.61                
 43 LEU  HN     44 ALA  HN      3.30                
 43 LEU  HN     44 ALA  QB      5.88                
 43 LEU  HN     51 LEU  QQD     8.10                
 43 LEU  HA     43 LEU  HG      4.11                
 43 LEU  HA     45 SER  HN      4.07                
 43 LEU  HA     46 LYS+ HN      3.45                
 43 LEU  QB     44 ALA  HN      4.92                
 43 LEU  QB     45 SER  HN      5.23                
 43 LEU  HG     44 ALA  HN      5.50                
 43 LEU  QD1    47 THR  HA      4.39                
 43 LEU  QD1    47 THR  HB      6.06                
 43 LEU  QD1    48 PRO  HD2     7.99                
 43 LEU  QD1    48 PRO  HD3     7.99                
 43 LEU  QD2    47 THR  HA      4.39                
 43 LEU  QD2    47 THR  HB      6.06                
 43 LEU  QD2    48 PRO  HD2     7.99                
 43 LEU  QD2    48 PRO  HD3     7.99                
 43 LEU  QQD    44 ALA  HN      7.69                
 43 LEU  QQD    46 LYS+ HN      7.76                
 43 LEU  QQD    47 THR  HN      7.76                
 43 LEU  QQD    47 THR  HA      4.02                
 43 LEU  QQD    47 THR  HB      4.97                
 43 LEU  QQD    48 PRO  QD      6.19                
 43 LEU  QQD    73 HIS  HN      6.76                
 43 LEU  QQD    73 HIS  HD2     6.95                
 44 ALA  HN     44 ALA  HA      2.90                
 44 ALA  HN     44 ALA  QB      3.52                
 44 ALA  HN     45 SER  HN      3.14                
 44 ALA  HN     46 LYS+ HN      3.86                
 44 ALA  HA     45 SER  HN      3.55                
 44 ALA  HA     46 LYS+ HN      4.04                
 44 ALA  HA     71 GLN  HE21    5.50                
 44 ALA  HA     71 GLN  HE22    5.50                
 45 SER  HN     45 SER  HB2     3.39                
 45 SER  HN     45 SER  HB3     3.39                
 45 SER  HN     46 LYS+ HN      2.80                
 45 SER  HN     46 LYS+ HA      5.50                
 45 SER  HA     45 SER  HB2     2.77                
 45 SER  HA     45 SER  HB3     2.77                
 45 SER  HA     46 LYS+ HN      3.42                
 45 SER  HB2    46 LYS+ HN      3.76                
 45 SER  HB3    46 LYS+ HN      3.76                
 46 LYS+ HN     46 LYS+ HB2     3.52                
 46 LYS+ HN     46 LYS+ HB3     3.52                
 46 LYS+ HN     46 LYS+ HG2     4.97                
 46 LYS+ HN     46 LYS+ HG3     4.97                
 46 LYS+ HN     46 LYS+ QG      4.63                
 46 LYS+ HN     47 THR  HN      4.20                
 46 LYS+ HA     46 LYS+ HG2     4.23                
 46 LYS+ HA     46 LYS+ HG3     4.23                
 46 LYS+ HA     46 LYS+ QG      3.89                
 46 LYS+ HA     46 LYS+ QD      5.14                
 46 LYS+ HA     47 THR  HN      2.71                
 46 LYS+ HA     47 THR  QG2     6.00                
 46 LYS+ HB2    47 THR  HN      3.45                
 46 LYS+ HB3    47 THR  HN      3.45                
 46 LYS+ QG     47 THR  HN      5.48                
 47 THR  HN     47 THR  HB      3.14                
 47 THR  HN     48 PRO  HD2     5.50                
 47 THR  HN     48 PRO  HD3     5.50                
 47 THR  HA     48 PRO  HD2     3.52                
 47 THR  HA     48 PRO  HD3     3.52                
 47 THR  HA     48 PRO  QD      3.33                
 47 THR  HB     48 PRO  HD2     5.28                
 47 THR  HB     48 PRO  HD3     5.28                
 47 THR  HB     48 PRO  QD      5.05                
 47 THR  HB     76 LEU  QQD     7.38                
 47 THR  QG2    76 LEU  HN      6.53                
 47 THR  QG2    76 LEU  QQD     7.79                
 48 PRO  HA     49 ASP- HN      3.30                
 48 PRO  HA     50 VAL  HN      5.10                
 48 PRO  HB2    49 ASP- HN      4.01                
 48 PRO  HB2    50 VAL  HN      3.83                
 48 PRO  HB3    49 ASP- HN      4.01                
 48 PRO  HB3    50 VAL  HN      3.83                
 48 PRO  QB     49 ASP- HN      3.74                
 48 PRO  QB     50 VAL  HN      3.57                
 48 PRO  HD2    51 LEU  QD1     5.81                
 48 PRO  HD2    51 LEU  QD2     5.81                
 48 PRO  HD2    76 LEU  QD1     6.95                
 48 PRO  HD2    76 LEU  QD2     6.95                
 48 PRO  HD3    51 LEU  QD1     5.81                
 48 PRO  HD3    51 LEU  QD2     5.81                
 48 PRO  HD3    76 LEU  QD1     6.95                
 48 PRO  HD3    76 LEU  QD2     6.95                
 48 PRO  QD     51 LEU  QQD     5.09                
 48 PRO  QD     76 LEU  QQD     5.76                
 49 ASP- HN     50 VAL  HN      3.21                
 49 ASP- HN     50 VAL  HA      4.79                
 49 ASP- HN     76 LEU  HG      5.50                
 49 ASP- HN     76 LEU  QQD     8.10                
 49 ASP- HA     50 VAL  HN      3.61                
 49 ASP- HA     50 VAL  QG2     5.78                
 49 ASP- HA     76 LEU  QQD     6.92                
 49 ASP- HA    119 ILE  QG2     5.81                
 49 ASP- QB     50 VAL  HN      4.42                
 49 ASP- QB     50 VAL  QG1     6.44                
 49 ASP- QB    119 ILE  HN      6.38                
 49 ASP- QB    119 ILE  HA      5.82                
 49 ASP- QB    119 ILE  QG2     5.85                
 50 VAL  HN     50 VAL  HB      3.79                
 50 VAL  HN     50 VAL  QG2     4.64                
 50 VAL  HN     51 LEU  HN      4.82                
 50 VAL  HN     76 LEU  HG      5.50                
 50 VAL  HN     76 LEU  QQD     7.60                
 50 VAL  HN    119 ILE  QG1     6.07                
 50 VAL  HA     51 LEU  HN      3.02                
 50 VAL  HA     76 LEU  QD1     5.38                
 50 VAL  HA     76 LEU  QD2     5.38                
 50 VAL  HA     76 LEU  QQD     4.89                
 50 VAL  HB     51 LEU  HN      4.04                
 50 VAL  QG1    51 LEU  HN      4.51                
 50 VAL  QG1    51 LEU  HA      5.41                
 50 VAL  QG1    78 VAL  HA      4.54                
 50 VAL  QG1    79 ILE  HN      4.95                
 50 VAL  QG2    51 LEU  HN      4.64                
 51 LEU  HN     51 LEU  HB2     3.76                
 51 LEU  HN     51 LEU  HB3     3.76                
 51 LEU  HN     51 LEU  HG      5.50                
 51 LEU  HN     51 LEU  QQD     7.32                
 51 LEU  HN     52 LEU  HN      5.00                
 51 LEU  HN     76 LEU  QQD     7.23                
 51 LEU  HN     77 PRO  QG      6.38                
 51 LEU  HN     78 VAL  HA      3.95                
 51 LEU  HN     78 VAL  QG2     5.54                
 51 LEU  HN     79 ILE  HN      4.32                
 51 LEU  HA     51 LEU  QD1     5.13                
 51 LEU  HA     51 LEU  QD2     5.13                
 51 LEU  HA     52 LEU  HN      3.14                
 51 LEU  HA     52 LEU  QQD     7.04                
 51 LEU  HA     53 SER  HN      5.13                
 51 LEU  HB2    76 LEU  QD1     8.64                
 51 LEU  HB2    76 LEU  QD2     8.64                
 51 LEU  HB3    76 LEU  QD1     8.64                
 51 LEU  HB3    76 LEU  QD2     8.64                
 51 LEU  QB     76 LEU  QQD     6.93                
 51 LEU  QB     78 VAL  HN      6.38                
 51 LEU  QB     78 VAL  QG2     5.08                
 51 LEU  QD1    52 LEU  HN      4.79                
 51 LEU  QD1    76 LEU  QD1     9.86                
 51 LEU  QD1    76 LEU  QD2     9.86                
 51 LEU  QD2    52 LEU  HN      4.79                
 51 LEU  QD2    76 LEU  QD1     9.86                
 51 LEU  QD2    76 LEU  QD2     9.86                
 51 LEU  QQD    52 LEU  HN      4.41                
 51 LEU  QQD    73 HIS  HD2     5.06                
 51 LEU  QQD    76 LEU  QB      7.83                
 51 LEU  QQD    76 LEU  QQD     7.78                
 51 LEU  QQD    78 VAL  HB      6.95                
 52 LEU  HN     52 LEU  HB2     3.70                
 52 LEU  HN     52 LEU  HB3     3.70                
 52 LEU  HN     52 LEU  QB      3.43                
 52 LEU  HN     52 LEU  QQD     6.21                
 52 LEU  HN     53 SER  HN      4.82                
 52 LEU  HN     81 MET  QE      6.53                
 52 LEU  HA     52 LEU  HG      3.79                
 52 LEU  HA     52 LEU  QD1     5.19                
 52 LEU  HA     52 LEU  QD2     5.19                
 52 LEU  HA     53 SER  HN      3.17                
 52 LEU  HA     78 VAL  QG1     5.13                
 52 LEU  HA     79 ILE  HN      3.55                
 52 LEU  HA     79 ILE  HB      4.32                
 52 LEU  HA     79 ILE  QD1     6.22                
 52 LEU  QB     53 SER  HN      6.38                
 52 LEU  QB     81 MET  QE      5.30                
 52 LEU  HG     53 SER  HN      5.50                
 52 LEU  QD1    81 MET  HG2     5.91                
 52 LEU  QD1    81 MET  HG3     5.91                
 52 LEU  QD1   102 LEU  QD1     8.37                
 52 LEU  QD1   102 LEU  QD2     8.37                
 52 LEU  QD2    81 MET  HG2     5.91                
 52 LEU  QD2    81 MET  HG3     5.91                
 52 LEU  QD2   102 LEU  QD1     8.37                
 52 LEU  QD2   102 LEU  QD2     8.37                
 52 LEU  QQD    53 SER  HN      7.45                
 52 LEU  QQD    53 SER  HA      7.07                
 52 LEU  QQD    81 MET  QB      7.05                
 52 LEU  QQD    81 MET  QG      5.32                
 52 LEU  QQD    81 MET  QE      7.98                
 52 LEU  QQD   102 LEU  QQD     6.95                
 53 SER  HN     54 ASP- HN      5.10                
 53 SER  HN     80 ILE  QG2     5.69                
 53 SER  HN     81 MET  QE      5.44                
 53 SER  HA     54 ASP- HN      3.14                
 53 SER  HA     81 MET  QE      4.88                
 54 ASP- HN     81 MET  QE      4.95                
 54 ASP- HA     55 ILE  HN      3.48                
 54 ASP- HA     80 ILE  QG2     6.22                
 54 ASP- HA     81 MET  HN      3.76                
 54 ASP- HA     81 MET  HB2     4.82                
 54 ASP- HA     81 MET  HB3     4.82                
 54 ASP- HA     81 MET  QB      4.55                
 54 ASP- HA     81 MET  QE      5.10                
 54 ASP- QB     63 LEU  QQD     8.35                
 54 ASP- QB     81 MET  QE      6.23                
 55 ILE  HN     55 ILE  HB      3.67                
 55 ILE  HN     55 ILE  QD1     5.66                
 55 ILE  HA     55 ILE  QD1     4.42                
 55 ILE  QG2    82 THR  HA      5.63                
 55 ILE  QG2    82 THR  HB      5.16                
 55 ILE  QG2   104 LYS+ QE      6.57                
 55 ILE  QD1    56 ARG+ QG      5.79                
 55 ILE  QD1    80 ILE  QD1     7.56                
 55 ILE  QD1    82 THR  QG2     6.69                
 55 ILE  QD1   104 LYS+ QE      7.19                
 56 ARG+ QD     57 MET  QE      6.07                
 57 MET  HA     57 MET  QE      4.30                
 57 MET  QB     62 GLY  HN      6.38                
 57 MET  QB     62 GLY  QA      6.82                
 57 MET  QG     64 ALA  HN      4.83                
 57 MET  QE     65 LEU  QQD     8.16                
 58 PRO  HA     59 GLY  HN      3.36                
 58 PRO  HA     59 GLY  QA      4.61                
 58 PRO  HB2    59 GLY  HN      4.35                
 58 PRO  HB3    59 GLY  HN      4.35                
 58 PRO  QB     59 GLY  HN      4.19                
 58 PRO  QB     63 LEU  QQD     8.17                
 58 PRO  QB     65 LEU  QQD     8.91                
 58 PRO  QD     59 GLY  HN      5.21                
 59 GLY  HN     62 GLY  QA      4.61                
 59 GLY  HN     63 LEU  HN      5.07                
 59 GLY  QA     64 ALA  HN      4.98                
 62 GLY  HN     63 LEU  HN      4.82                
 62 GLY  HN     66 LEU  QQD     8.10                
 62 GLY  HA1    63 LEU  QD1     8.64                
 62 GLY  HA1    63 LEU  QD2     8.64                
 62 GLY  HA2    63 LEU  QD1     8.64                
 62 GLY  HA2    63 LEU  QD2     8.64                
 62 GLY  QA     63 LEU  QQD     6.45                
 62 GLY  QA     64 ALA  HN      4.14                
 62 GLY  QA     65 LEU  QQD     8.66                
 63 LEU  HN     63 LEU  QQD     6.95                
 63 LEU  HN     64 ALA  HN      3.86                
 63 LEU  HN     64 ALA  QB      4.42                
 63 LEU  HA     66 LEU  QB      4.58                
 63 LEU  HA     66 LEU  QQD     6.83                
 63 LEU  HG     64 ALA  HN      5.31                
 63 LEU  QQD    64 ALA  HA      6.45                
 63 LEU  QQD    89 ALA  HA      6.45                
 63 LEU  QQD    90 ALA  HA      7.11                
 63 LEU  QQD    90 ALA  QB      8.29                
 64 ALA  HN     65 LEU  QQD     8.10                
 64 ALA  HN     67 LYS+ QE      6.38                
 64 ALA  HN     89 ALA  QB      6.53                
 65 LEU  HN     65 LEU  QQD     8.10                
 65 LEU  HA     65 LEU  HB2     2.93                
 65 LEU  HA     65 LEU  HB3     2.93                
 65 LEU  HB2    68 GLN  HE21    7.25                
 65 LEU  HB2    68 GLN  HE22    7.25                
 65 LEU  HB3    68 GLN  HE21    7.25                
 65 LEU  HB3    68 GLN  HE22    7.25                
 65 LEU  QB     68 GLN  HN      5.45                
 65 LEU  QB     68 GLN  QE2     6.32                
 65 LEU  QD1    68 GLN  HG2     8.03                
 65 LEU  QD1    68 GLN  HG3     8.03                
 65 LEU  QD2    68 GLN  HG2     8.03                
 65 LEU  QD2    68 GLN  HG3     8.03                
 65 LEU  QQD    68 GLN  HN      8.10                
 65 LEU  QQD    68 GLN  QG      5.96                
 65 LEU  QQD    68 GLN  QE2     8.96                
 66 LEU  HA     69 ILE  HN      4.17                
 66 LEU  HA     69 ILE  HB      3.30                
 66 LEU  HA     69 ILE  QD1     4.67                
 66 LEU  QB     68 GLN  QE2     7.24                
 67 LYS+ HA     67 LYS+ QD      5.14                
 67 LYS+ HA     70 LYS+ HN      4.26                
 67 LYS+ HB2    68 GLN  HE21    7.25                
 67 LYS+ HB2    68 GLN  HE22    7.25                
 67 LYS+ HB3    68 GLN  HE21    7.25                
 67 LYS+ HB3    68 GLN  HE22    7.25                
 67 LYS+ QB     68 GLN  HN      4.67                
 67 LYS+ QB     68 GLN  QE2     6.32                
 67 LYS+ QB     71 GLN  HN      5.14                
 67 LYS+ QB     71 GLN  QE2     7.24                
 67 LYS+ QD     68 GLN  HN      6.38                
 67 LYS+ QD     71 GLN  QE2     7.24                
 68 GLN  HN     68 GLN  QB      3.89                
 68 GLN  HN     68 GLN  HG2     4.04                
 68 GLN  HN     68 GLN  HG3     4.04                
 68 GLN  HN     69 ILE  HN      3.86                
 68 GLN  HA     68 GLN  HG2     3.45                
 68 GLN  HA     68 GLN  HG3     3.45                
 68 GLN  HA     68 GLN  QG      3.28                
 68 GLN  HA     68 GLN  HE21    5.50                
 68 GLN  HA     68 GLN  HE22    5.50                
 68 GLN  HA     71 GLN  HN      4.11                
 68 GLN  HG2    69 ILE  HN      5.16                
 68 GLN  HG3    69 ILE  HN      5.16                
 69 ILE  HN     69 ILE  HB      3.33                
 69 ILE  HN     69 ILE  QD1     5.01                
 69 ILE  HN     70 LYS+ HN      4.11                
 69 ILE  HA     69 ILE  HG12    4.07                
 69 ILE  HA     69 ILE  HG13    4.07                
 69 ILE  HA     69 ILE  QG1     3.84                
 69 ILE  HA     69 ILE  QD1     4.85                
 69 ILE  HA     72 ARG+ HN      4.76                
 69 ILE  HA     72 ARG+ HB2     3.83                
 69 ILE  HA     72 ARG+ HB3     3.83                
 69 ILE  HA     72 ARG+ QB      3.66                
 69 ILE  HA     73 HIS  HD2     3.30                
 69 ILE  HB     70 LYS+ HN      3.92                
 69 ILE  QG2    70 LYS+ HN      5.69                
 69 ILE  QG2    73 HIS  QB      6.50                
 69 ILE  QG2    76 LEU  QB      5.79                
 69 ILE  QG2    76 LEU  QQD     7.48                
 69 ILE  QG2    94 TYR  QE      8.23                
 69 ILE  QD1    70 LYS+ HN      6.53                
 69 ILE  QD1    72 ARG+ QB      5.26                
 70 LYS+ HN     70 LYS+ QD      6.28                
 70 LYS+ HN     71 GLN  HN      4.57                
 70 LYS+ HA     70 LYS+ QD      5.01                
 70 LYS+ HA     72 ARG+ HN      3.89                
 70 LYS+ HA     73 HIS  HN      3.64                
 70 LYS+ HA     74 PRO  HA      3.48                
 70 LYS+ HA     75 MET  HN      5.22                
 70 LYS+ HA     94 TYR  QE      6.30                
 70 LYS+ QD     71 GLN  HA      5.07                
 70 LYS+ QD     75 MET  HN      6.38                
 70 LYS+ QD     76 LEU  HN      6.38                
 71 GLN  HN     71 GLN  HB2     3.39                
 71 GLN  HN     71 GLN  HB3     3.39                
 71 GLN  HN     71 GLN  QB      3.18                
 71 GLN  HN     71 GLN  HG2     4.48                
 71 GLN  HN     71 GLN  HG3     4.48                
 71 GLN  HN     71 GLN  QG      4.12                
 71 GLN  HN     72 ARG+ HN      3.89                
 71 GLN  HA     71 GLN  HG2     3.79                
 71 GLN  HA     71 GLN  HG3     3.79                
 71 GLN  HA     71 GLN  QG      3.57                
 71 GLN  HA     71 GLN  HE21    5.50                
 71 GLN  HA     71 GLN  HE22    5.50                
 71 GLN  HA     72 ARG+ HN      3.64                
 71 GLN  HA     74 PRO  QG      4.52                
 71 GLN  HB2    72 ARG+ HN      4.04                
 71 GLN  HB3    72 ARG+ HN      4.04                
 71 GLN  QB     72 ARG+ HN      3.82                
 71 GLN  QB     73 HIS  HN      6.16                
 72 ARG+ HN     72 ARG+ QB      3.85                
 72 ARG+ HN     72 ARG+ HG2     4.48                
 72 ARG+ HN     72 ARG+ HG3     4.48                
 72 ARG+ HN     72 ARG+ QG      4.24                
 72 ARG+ HN     72 ARG+ QD      6.38                
 72 ARG+ HN     73 HIS  HN      3.73                
 72 ARG+ HN     73 HIS  HD2     5.50                
 72 ARG+ HA     72 ARG+ HG2     3.89                
 72 ARG+ HA     72 ARG+ HG3     3.89                
 72 ARG+ HA     72 ARG+ QG      3.72                
 72 ARG+ HA     72 ARG+ HD2     4.32                
 72 ARG+ HA     72 ARG+ HD3     4.32                
 72 ARG+ QB     73 HIS  HD2     3.96                
 72 ARG+ QG     73 HIS  HN      6.16                
 72 ARG+ QG     73 HIS  HD2     4.18                
 73 HIS  HN     73 HIS  HD2     5.50                
 73 HIS  HN     74 PRO  QG      6.38                
 73 HIS  HN     74 PRO  HD2     5.50                
 73 HIS  HN     74 PRO  HD3     5.50                
 73 HIS  HN     76 LEU  QQD     7.76                
 73 HIS  HA     74 PRO  QG      5.38                
 73 HIS  HA     74 PRO  HD2     3.45                
 73 HIS  HA     74 PRO  HD3     3.45                
 73 HIS  HA     74 PRO  QD      3.25                
 73 HIS  HA     75 MET  HN      4.17                
 73 HIS  HA     76 LEU  HN      4.97                
 73 HIS  QB     75 MET  HN      5.66                
 73 HIS  QB     76 LEU  HN      5.11                
 73 HIS  QB     76 LEU  HB2     6.38                
 73 HIS  QB     76 LEU  HB3     6.38                
 73 HIS  QB     76 LEU  QB      6.21                
 73 HIS  QB     76 LEU  QD1     7.31                
 73 HIS  QB     76 LEU  QD2     7.31                
 73 HIS  QB     76 LEU  QQD     6.89                
 73 HIS  HE1    76 LEU  QB      4.89                
 73 HIS  HE1    78 VAL  QG2     3.55                
 74 PRO  HA     76 LEU  HN      4.14                
 74 PRO  HD2    75 MET  HN      5.34                
 74 PRO  HD3    75 MET  HN      5.34                
 75 MET  HN     75 MET  HB2     3.55                
 75 MET  HN     75 MET  HB3     3.55                
 75 MET  HN     75 MET  QB      3.21                
 75 MET  HN     75 MET  HG2     4.79                
 75 MET  HN     75 MET  HG3     4.79                
 75 MET  HN     75 MET  QG      4.39                
 75 MET  HN     76 LEU  HN      3.39                
 75 MET  HN     76 LEU  HA      4.63                
 75 MET  HN     76 LEU  QQD     8.10                
 75 MET  HA     75 MET  HG2     4.07                
 75 MET  HA     75 MET  HG3     4.07                
 75 MET  HA     75 MET  QG      3.64                
 75 MET  HA     75 MET  QE      4.45                
 75 MET  HG2    76 LEU  HN      5.50                
 75 MET  HG3    76 LEU  HN      5.50                
 76 LEU  HN     76 LEU  HB2     3.27                
 76 LEU  HN     76 LEU  HB3     3.27                
 76 LEU  HN     76 LEU  QD1     5.85                
 76 LEU  HN     76 LEU  QD2     5.85                
 76 LEU  HN     76 LEU  QQD     5.50                
 76 LEU  HN     77 PRO  HD2     5.50                
 76 LEU  HN     77 PRO  HD3     5.50                
 76 LEU  HA     76 LEU  HG      4.11                
 76 LEU  HA     77 PRO  HD2     3.89                
 76 LEU  HA     77 PRO  HD3     3.89                
 76 LEU  HA     77 PRO  QD      3.71                
 76 LEU  QB     78 VAL  QG2     5.33                
 76 LEU  QD1    77 PRO  HD2     7.93                
 76 LEU  QD1    77 PRO  HD3     7.93                
 76 LEU  QD2    77 PRO  HD2     7.93                
 76 LEU  QD2    77 PRO  HD3     7.93                
 76 LEU  QQD    77 PRO  QD      6.13                
 76 LEU  QQD    78 VAL  HN      8.10                
 76 LEU  QQD    78 VAL  QG2     8.20                
 77 PRO  HA     78 VAL  HN      2.93                
 78 VAL  HN     78 VAL  HB      3.67                
 78 VAL  HN     78 VAL  QG2     4.79                
 78 VAL  HA     79 ILE  HN      3.14                
 78 VAL  HB     79 ILE  HN      4.97                
 78 VAL  QG2    79 ILE  HN      5.38                
 79 ILE  HN     79 ILE  HB      3.92                
 79 ILE  HN     79 ILE  QG1     6.38                
 79 ILE  HN     79 ILE  QD1     5.81                
 79 ILE  QG2    99 PHE  HA      5.16                
 79 ILE  QG2   101 TYR  HN      6.00                
 79 ILE  QG2   101 TYR  HA      5.23                
 79 ILE  QG2   102 LEU  HN      5.63                
 79 ILE  QG2   102 LEU  HG      6.09                
 79 ILE  QG2   102 LEU  QQD     9.06                
 79 ILE  QG2   114 LEU  QB      6.60                
 79 ILE  QG2   114 LEU  QD1     6.66                
 79 ILE  QG2   114 LEU  QD2     6.66                
 79 ILE  QG2   114 LEU  QQD     5.98                
 79 ILE  HG12   99 PHE  HA      4.51                
 79 ILE  HG13   99 PHE  HA      4.51                
 79 ILE  QG1    99 PHE  HA      4.34                
 79 ILE  QG1    99 PHE  QD      6.48                
 79 ILE  QG1   101 TYR  HN      6.38                
 79 ILE  QG1   102 LEU  QQD     6.06                
 79 ILE  QD1   115 VAL  HN      5.32                
 79 ILE  QD1   115 VAL  HA      4.54                
 80 ILE  HN     80 ILE  HB      4.07                
 80 ILE  HN    101 TYR  HA      4.14                
 80 ILE  HB    101 TYR  HA      5.50                
 80 ILE  QG2    81 MET  HN      5.23                
 80 ILE  QG2    81 MET  QB      5.26                
 80 ILE  QG2    82 THR  HB      5.69                
 80 ILE  QG2    82 THR  QG2     6.25                
 80 ILE  QG2   101 TYR  HA      6.47                
 80 ILE  QG2   101 TYR  QD      8.64                
 80 ILE  QG2   101 TYR  QE      8.66                
 80 ILE  QD1    81 MET  HN      6.53                
 80 ILE  QD1   101 TYR  QE      7.20                
 81 MET  HN     81 MET  QG      6.38                
 81 MET  HN     81 MET  QE      5.47                
 81 MET  HA     81 MET  QE      5.10                
 81 MET  HA     82 THR  HN      3.27                
 81 MET  HA     82 THR  QG2     5.81                
 81 MET  HA    102 LEU  HN      3.70                
 81 MET  HA    102 LEU  HB2     4.48                
 81 MET  HA    102 LEU  HB3     4.48                
 81 MET  HA    102 LEU  QB      4.24                
 81 MET  HB2    82 THR  HN      4.32                
 81 MET  HB3    82 THR  HN      4.32                
 81 MET  QB     82 THR  HN      4.11                
 81 MET  HG2   102 LEU  HB2     6.42                
 81 MET  HG2   102 LEU  HB3     6.42                
 81 MET  HG2   102 LEU  QD1     7.23                
 81 MET  HG2   102 LEU  QD2     7.23                
 81 MET  HG3   102 LEU  HB2     6.42                
 81 MET  HG3   102 LEU  HB3     6.42                
 81 MET  HG3   102 LEU  QD1     7.23                
 81 MET  HG3   102 LEU  QD2     7.23                
 81 MET  QG     82 THR  HN      6.38                
 81 MET  QG    102 LEU  QB      5.49                
 81 MET  QG    102 LEU  QQD     5.97                
 81 MET  QG    104 LYS+ QG      6.85                
 81 MET  QG    106 PHE  HN      6.38                
 81 MET  QE    102 LEU  QQD     9.13                
 81 MET  QE    106 PHE  QE      8.65                
 82 THR  HN    102 LEU  HN      4.94                
 82 THR  HN    102 LEU  QB      6.38                
 82 THR  HN    103 PRO  HA      3.70                
 82 THR  HN    104 LYS+ HG2     5.50                
 82 THR  HN    104 LYS+ HG3     5.50                
 82 THR  HA     83 ALA  HN      3.55                
 82 THR  HB     83 ALA  HN      4.26                
 82 THR  QG2    83 ALA  HN      6.53                
 82 THR  QG2    86 ASP- QB      6.35                
 82 THR  QG2    87 LEU  HN      6.53                
 82 THR  QG2    87 LEU  HA      5.16                
 82 THR  QG2    87 LEU  QQD     7.73                
 82 THR  QG2    88 ASP- HN      6.53                
 82 THR  QG2    90 ALA  HN      6.43                
 82 THR  QG2    90 ALA  QB      6.53                
 82 THR  QG2   101 TYR  QD      7.61                
 82 THR  QG2   101 TYR  QE      7.08                
 82 THR  QG2   104 LYS+ QB      6.29                
 82 THR  QG2   104 LYS+ QD      5.88                
 83 ALA  QB     84 HIS  QB      6.91                
 83 ALA  QB     86 ASP- HN      5.57                
 83 ALA  QB     86 ASP- HB2     5.38                
 83 ALA  QB     86 ASP- HB3     5.38                
 83 ALA  QB     86 ASP- QB      5.23                
 84 HIS  HA     87 LEU  HN      4.91                
 84 HIS  HA     87 LEU  HB2     3.89                
 84 HIS  HA     87 LEU  HB3     3.89                
 84 HIS  HA     87 LEU  QQD     6.24                
 84 HIS  HA    103 PRO  HB2     5.04                
 84 HIS  HA    103 PRO  HB3     5.04                
 84 HIS  HA    103 PRO  QB      4.83                
 84 HIS  HB2   103 PRO  HB2     7.25                
 84 HIS  HB2   103 PRO  HB3     7.25                
 84 HIS  HB3   103 PRO  HB2     7.25                
 84 HIS  HB3   103 PRO  HB3     7.25                
 84 HIS  QB     84 HIS  HD2     3.42                
 84 HIS  QB    103 PRO  QB      6.32                
 84 HIS  HD2    87 LEU  QB      6.38                
 84 HIS  HD2   103 PRO  QB      4.45                
 84 HIS  HD2   105 PRO  HD2     3.83                
 84 HIS  HD2   105 PRO  HD3     3.83                
 84 HIS  HD2   105 PRO  QD      3.51                
 84 HIS  HE1   103 PRO  HB2     5.47                
 84 HIS  HE1   103 PRO  HB3     5.47                
 84 HIS  HE1   103 PRO  QB      5.05                
 85 SER  HN     85 SER  QB      3.92                
 85 SER  HN     86 ASP- HN      5.19                
 85 SER  HA     85 SER  HB2     2.80                
 85 SER  HA     85 SER  HB3     2.80                
 85 SER  HA     85 SER  QB      2.58                
 85 SER  HA     87 LEU  HN      3.86                
 85 SER  HA     88 ASP- HN      3.89                
 86 ASP- HN     87 LEU  HN      4.01                
 86 ASP- HA     87 LEU  HN      3.33                
 86 ASP- HA     88 ASP- HN      4.45                
 86 ASP- HA     88 ASP- QB      5.51                
 86 ASP- HA     89 ALA  QB      5.72                
 86 ASP- HA     90 ALA  QB      6.53                
 86 ASP- HB2    87 LEU  HN      4.63                
 86 ASP- HB3    87 LEU  HN      4.63                
 86 ASP- QB     87 LEU  HN      4.39                
 86 ASP- QB     87 LEU  QQD     7.27                
 87 LEU  HN     87 LEU  HB2     3.39                
 87 LEU  HN     87 LEU  HB3     3.39                
 87 LEU  HN     87 LEU  HG      4.69                
 87 LEU  HN     87 LEU  QQD     6.58                
 87 LEU  HN     88 ASP- HN      3.83                
 87 LEU  HN     89 ALA  HN      4.82                
 87 LEU  HN     89 ALA  QB      6.53                
 87 LEU  HA     88 ASP- HN      3.39                
 87 LEU  HA     88 ASP- QB      6.38                
 87 LEU  HA     90 ALA  HN      3.45                
 87 LEU  HA     90 ALA  QB      4.82                
 87 LEU  HA     91 VAL  QG2     5.94                
 87 LEU  QB     88 ASP- HN      4.49                
 87 LEU  QB     90 ALA  HN      5.32                
 87 LEU  HG     88 ASP- HN      4.42                
 87 LEU  QD1    90 ALA  HN      6.53                
 87 LEU  QD1   101 TYR  HB2     9.17                
 87 LEU  QD1   101 TYR  HB3     9.17                
 87 LEU  QD2    90 ALA  HN      6.53                
 87 LEU  QD2   101 TYR  HB2     9.17                
 87 LEU  QD2   101 TYR  HB3     9.17                
 87 LEU  QQD    88 ASP- HN      7.11                
 87 LEU  QQD    88 ASP- QB      8.97                
 87 LEU  QQD    90 ALA  HN      5.92                
 87 LEU  QQD    90 ALA  QB      8.51                
 87 LEU  QQD    91 VAL  HN      7.17                
 87 LEU  QQD    91 VAL  HA      6.73                
 87 LEU  QQD    91 VAL  HB      5.77                
 87 LEU  QQD   100 ASP- QB      7.11                
 87 LEU  QQD   101 TYR  QB      7.34                
 87 LEU  QQD   101 TYR  QD      9.77                
 87 LEU  QQD   101 TYR  QE      9.49                
 87 LEU  QQD   103 PRO  QD      8.07                
 88 ASP- HN     89 ALA  HN      3.52                
 88 ASP- HN     89 ALA  QB      6.53                
 88 ASP- HN     90 ALA  HN      4.91                
 88 ASP- HN     91 VAL  HB      5.13                
 88 ASP- HN     91 VAL  QG1     6.53                
 88 ASP- HN     91 VAL  QG2     6.53                
 88 ASP- HA     89 ALA  HN      3.36                
 88 ASP- HA     91 VAL  HN      3.83                
 88 ASP- HA     91 VAL  HB      3.24                
 88 ASP- HA     91 VAL  QG1     5.13                
 88 ASP- HA     91 VAL  QG2     5.60                
 88 ASP- HA     92 SER  QB      5.23                
 88 ASP- QB     89 ALA  HN      4.39                
 88 ASP- QB     89 ALA  QB      7.40                
 89 ALA  HN     89 ALA  QB      3.55                
 89 ALA  HA     91 VAL  HN      4.57                
 89 ALA  HA     92 SER  HN      3.58                
 89 ALA  HA     92 SER  QB      4.70                
 90 ALA  HN     91 VAL  HN      3.36                
 90 ALA  HN     91 VAL  QG1     6.53                
 90 ALA  HA     93 ALA  QB      4.79                
 90 ALA  HA     99 PHE  QD      6.72                
 90 ALA  QB     92 SER  HN      6.50                
 90 ALA  QB     99 PHE  QD      7.04                
 90 ALA  QB    101 TYR  QE      6.77                
 91 VAL  HN     91 VAL  HB      3.14                
 91 VAL  HN     91 VAL  QG1     4.85                
 91 VAL  HN     92 SER  HN      3.45                
 91 VAL  HA     94 TYR  QB      5.17                
 91 VAL  HA     99 PHE  HN      5.22                
 91 VAL  HA     99 PHE  QD      6.78                
 91 VAL  HA    101 TYR  QD      7.64                
 91 VAL  HA    101 TYR  QE      6.45                
 91 VAL  HB     92 SER  HN      3.33                
 91 VAL  QG1    92 SER  HN      4.95                
 91 VAL  QG1    92 SER  HA      5.44                
 91 VAL  QG2    92 SER  HN      5.85                
 91 VAL  QG2   101 TYR  QE      8.66                
 92 SER  HN     92 SER  HB2     2.87                
 92 SER  HN     92 SER  HB3     2.87                
 93 ALA  QB     94 TYR  QB      6.23                
 96 GLN  HA     96 GLN  QG      3.92                
 98 ALA  HN     99 PHE  HN      4.45                
 98 ALA  QB     99 PHE  QD      8.65                
 98 ALA  QB     99 PHE  QE      8.65                
 99 PHE  HN     99 PHE  HB2     3.92                
 99 PHE  HN     99 PHE  HB3     3.92                
 99 PHE  HN     99 PHE  QB      3.73                
 99 PHE  HN    100 ASP- HN      4.04                
 99 PHE  HB2   100 ASP- HN      4.57                
 99 PHE  HB3   100 ASP- HN      4.57                
 99 PHE  QB    101 TYR  HN      5.94                
 99 PHE  QD    114 LEU  QQD     8.70                
100 ASP- HN    100 ASP- HB2     3.79                
100 ASP- HN    100 ASP- HB3     3.79                
100 ASP- HN    101 TYR  HN      4.38                
100 ASP- HA    101 TYR  HN      3.17                
100 ASP- QB    102 LEU  HA      5.07                
100 ASP- QB    114 LEU  QQD     7.98                
101 TYR  HA    102 LEU  HN      3.58                
101 TYR  HB2   102 LEU  HN      4.51                
101 TYR  HB3   102 LEU  HN      4.51                
101 TYR  QD    102 LEU  HN      7.64                
101 TYR  QE    102 LEU  HN      7.63                
102 LEU  HN    102 LEU  HB2     4.11                
102 LEU  HN    102 LEU  HB3     4.11                
102 LEU  HN    102 LEU  QB      3.89                
102 LEU  HN    102 LEU  HG      5.50                
102 LEU  HN    102 LEU  QQD     8.10                
102 LEU  HN    111 ALA  QB      6.53                
102 LEU  HA    103 PRO  QB      5.99                
102 LEU  HA    103 PRO  HD2     3.92                
102 LEU  HA    103 PRO  HD3     3.92                
102 LEU  HA    103 PRO  QD      3.76                
102 LEU  QB    106 PHE  QE      6.92                
102 LEU  HG    106 PHE  QD      5.76                
102 LEU  QD1   103 PRO  HD2     8.67                
102 LEU  QD1   103 PRO  HD3     8.67                
102 LEU  QD1   106 PHE  HB2     9.57                
102 LEU  QD1   106 PHE  HB3     9.57                
102 LEU  QD1   106 PHE  QD      6.98                
102 LEU  QD1   111 ALA  HN      6.53                
102 LEU  QD1   111 ALA  HA      5.01                
102 LEU  QD1   111 ALA  QB      6.22                
102 LEU  QD1   114 LEU  HN      6.53                
102 LEU  QD1   114 LEU  QD1     7.56                
102 LEU  QD1   114 LEU  QD2     7.56                
102 LEU  QD2   103 PRO  HD2     8.67                
102 LEU  QD2   103 PRO  HD3     8.67                
102 LEU  QD2   106 PHE  HB2     9.57                
102 LEU  QD2   106 PHE  HB3     9.57                
102 LEU  QD2   106 PHE  QD      6.98                
102 LEU  QD2   111 ALA  HN      6.53                
102 LEU  QD2   111 ALA  HA      5.01                
102 LEU  QD2   111 ALA  QB      6.22                
102 LEU  QD2   114 LEU  HN      6.53                
102 LEU  QD2   114 LEU  QD1     7.56                
102 LEU  QD2   114 LEU  QD2     7.56                
102 LEU  QQD   103 PRO  QD      7.04                
102 LEU  QQD   106 PHE  QB      7.80                
102 LEU  QQD   106 PHE  QD      6.56                
102 LEU  QQD   106 PHE  QE      8.05                
102 LEU  QQD   107 ASP- HN      8.10                
102 LEU  QQD   111 ALA  HN      5.86                
102 LEU  QQD   111 ALA  HA      4.27                
102 LEU  QQD   111 ALA  QB      5.83                
102 LEU  QQD   112 VAL  HN      8.10                
102 LEU  QQD   114 LEU  QB      7.18                
102 LEU  QQD   114 LEU  QQD     6.34                
102 LEU  QQD   115 VAL  HN      8.10                
104 LYS+ HA    104 LYS+ QG      4.00                
104 LYS+ HA    105 PRO  HA      3.08                
104 LYS+ HA    106 PHE  HN      3.42                
104 LYS+ HA    106 PHE  HA      3.92                
104 LYS+ HA    106 PHE  QD      5.67                
104 LYS+ HB2   106 PHE  QE      6.23                
104 LYS+ HB3   106 PHE  QE      6.23                
104 LYS+ QB    104 LYS+ QE      5.80                
104 LYS+ QB    105 PRO  HA      4.39                
104 LYS+ QB    106 PHE  QD      7.01                
104 LYS+ QG    105 PRO  HA      5.35                
104 LYS+ QG    105 PRO  QG      6.26                
104 LYS+ QD    106 PHE  HN      6.19                
104 LYS+ QE    106 PHE  QE      8.50                
105 PRO  HA    106 PHE  HN      2.96                
105 PRO  HA    106 PHE  QD      7.62                
105 PRO  HB2   106 PHE  HN      3.58                
105 PRO  HB3   106 PHE  HN      3.58                
106 PHE  HN    106 PHE  HB2     4.14                
106 PHE  HN    106 PHE  HB3     4.14                
106 PHE  HN    106 PHE  QE      7.62                
106 PHE  HN    107 ASP- HN      4.54                
106 PHE  HA    106 PHE  HB2     3.05                
106 PHE  HA    106 PHE  HB3     3.05                
106 PHE  HA    107 ASP- HN      2.80                
106 PHE  HB2   107 ASP- HN      3.52                
106 PHE  HB3   107 ASP- HN      3.52                
106 PHE  QB    107 ASP- HN      3.29                
106 PHE  QD    107 ASP- HN      7.62                
106 PHE  QD    108 ILE  HN      7.62                
106 PHE  QD    108 ILE  HA      5.54                
106 PHE  QD    108 ILE  QG1     6.48                
106 PHE  QD    108 ILE  QD1     6.14                
106 PHE  QD    111 ALA  QB      7.69                
106 PHE  QE    107 ASP- HN      7.62                
106 PHE  QE    108 ILE  HN      7.62                
106 PHE  QE    108 ILE  HA      7.56                
106 PHE  QE    108 ILE  QD1     6.14                
107 ASP- HN    107 ASP- HB2     3.21                
107 ASP- HN    107 ASP- HB3     3.21                
107 ASP- HN    110 GLU- HN      4.60                
107 ASP- HN    110 GLU- HB2     4.20                
107 ASP- HN    110 GLU- HB3     4.20                
107 ASP- HN    110 GLU- QB      3.97                
107 ASP- HN    110 GLU- QG      6.38                
107 ASP- HN    111 ALA  QB      6.53                
107 ASP- HA    108 ILE  HB      5.34                
107 ASP- HA    109 ASP- HN      3.98                
107 ASP- HA    110 GLU- HN      4.79                
107 ASP- HB2   110 GLU- HN      3.83                
107 ASP- HB2   110 GLU- HB2     6.63                
107 ASP- HB2   110 GLU- HB3     6.63                
107 ASP- HB2   110 GLU- HG2     4.48                
107 ASP- HB2   110 GLU- HG3     4.48                
107 ASP- HB3   110 GLU- HN      3.83                
107 ASP- HB3   110 GLU- HB2     6.63                
107 ASP- HB3   110 GLU- HB3     6.63                
107 ASP- HB3   110 GLU- HG2     4.48                
107 ASP- HB3   110 GLU- HG3     4.48                
107 ASP- QB    110 GLU- QB      5.49                
107 ASP- QB    110 GLU- QG      4.07                
108 ILE  HN    108 ILE  HB      2.93                
108 ILE  HN    108 ILE  QG2     4.54                
108 ILE  HN    108 ILE  QG1     4.98                
108 ILE  HN    108 ILE  QD1     5.63                
108 ILE  HN    109 ASP- HN      3.42                
108 ILE  HN    110 GLU- HN      4.63                
108 ILE  HN    110 GLU- QB      5.66                
108 ILE  HA    108 ILE  HB      2.99                
108 ILE  HA    108 ILE  QG1     3.94                
108 ILE  HA    108 ILE  QD1     4.02                
108 ILE  HA    109 ASP- HN      3.55                
108 ILE  HA    111 ALA  HN      3.52                
108 ILE  HB    109 ASP- HN      3.33                
108 ILE  QG2   109 ASP- HN      4.20                
108 ILE  QG2   109 ASP- HA      5.91                
108 ILE  QG2   109 ASP- QB      7.40                
108 ILE  QG1   109 ASP- HN      4.92                
108 ILE  QG1   112 VAL  QG2     4.43                
108 ILE  QD1   112 VAL  HN      6.53                
109 ASP- HN    109 ASP- HA      2.77                
109 ASP- HN    109 ASP- HB2     2.99                
109 ASP- HN    109 ASP- HB3     2.99                
109 ASP- HA    109 ASP- HB2     2.96                
109 ASP- HA    109 ASP- HB3     2.96                
109 ASP- HA    112 VAL  HN      3.67                
109 ASP- HA    112 VAL  HB      3.17                
109 ASP- HA    112 VAL  QG1     5.16                
109 ASP- HA    112 VAL  QG2     4.67                
109 ASP- HA    113 ALA  HN      3.61                
109 ASP- HA    113 ALA  QB      5.72                
109 ASP- HB2   110 GLU- HN      3.64                
109 ASP- HB3   110 GLU- HN      3.64                
109 ASP- QB    110 GLU- HN      3.32                
109 ASP- QB    112 VAL  HN      5.82                
110 GLU- HN    110 GLU- HB2     3.30                
110 GLU- HN    110 GLU- HB3     3.30                
110 GLU- HN    110 GLU- QB      3.01                
110 GLU- HN    110 GLU- HG2     4.23                
110 GLU- HN    110 GLU- HG3     4.23                
110 GLU- HN    111 ALA  HN      3.21                
110 GLU- HN    111 ALA  HA      5.50                
110 GLU- HN    111 ALA  QB      5.54                
110 GLU- HA    110 GLU- QB      2.67                
110 GLU- HA    110 GLU- HG2     3.52                
110 GLU- HA    110 GLU- HG3     3.52                
110 GLU- HA    110 GLU- QG      3.31                
110 GLU- HA    112 VAL  HN      4.29                
110 GLU- QB    111 ALA  HN      4.36                
110 GLU- QB    111 ALA  QB      6.63                
110 GLU- QG    111 ALA  HN      6.38                
110 GLU- QG    113 ALA  HN      6.38                
111 ALA  HN    112 VAL  HN      2.65                
111 ALA  HA    114 LEU  HN      3.55                
111 ALA  HA    114 LEU  HB2     3.76                
111 ALA  HA    114 LEU  HB3     3.76                
111 ALA  HA    114 LEU  QB      3.50                
111 ALA  HA    114 LEU  QD1     5.72                
111 ALA  HA    114 LEU  QD2     5.72                
111 ALA  HA    114 LEU  QQD     5.27                
111 ALA  HA    115 VAL  HN      4.32                
112 VAL  HN    112 VAL  HB      2.96                
112 VAL  HN    112 VAL  QG1     4.42                
112 VAL  HN    112 VAL  QG2     3.71                
112 VAL  HN    113 ALA  HN      3.24                
112 VAL  HN    113 ALA  QB      5.47                
112 VAL  HN    114 LEU  HN      3.83                
112 VAL  HA    112 VAL  QG2     3.77                
112 VAL  HA    115 VAL  HN      3.58                
112 VAL  HA    115 VAL  HB      3.27                
112 VAL  HB    113 ALA  HN      3.21                
112 VAL  QG1   113 ALA  HN      4.51                
112 VAL  QG1   113 ALA  HA      4.98                
112 VAL  QG1   116 GLU- HG2     4.98                
112 VAL  QG1   116 GLU- HG3     4.98                
112 VAL  QG1   116 GLU- QG      4.60                
112 VAL  QG2   113 ALA  HN      4.79                
113 ALA  HN    114 LEU  HN      4.63                
113 ALA  HA    114 LEU  QB      6.38                
113 ALA  HA    116 GLU- HN      3.58                
113 ALA  HA    116 GLU- QB      4.08                
113 ALA  HA    116 GLU- QG      5.57                
113 ALA  QB    114 LEU  QQD     8.88                
114 LEU  HN    114 LEU  HB2     3.17                
114 LEU  HN    114 LEU  HB3     3.17                
114 LEU  HN    114 LEU  QD1     5.47                
114 LEU  HN    114 LEU  QD2     5.47                
114 LEU  HN    114 LEU  QQD     4.88                
114 LEU  HN    116 GLU- HN      4.60                
114 LEU  HA    114 LEU  QD1     5.44                
114 LEU  HA    114 LEU  QD2     5.44                
114 LEU  HA    114 LEU  QQD     4.40                
114 LEU  HA    117 ARG+ QB      4.30                
114 LEU  HB2   115 VAL  HN      3.73                
114 LEU  HB3   115 VAL  HN      3.73                
114 LEU  QB    115 VAL  HN      3.52                
114 LEU  HG    115 VAL  HA      4.88                
114 LEU  HG    118 ALA  HN      4.60                
114 LEU  QQD   115 VAL  HA      6.49                
114 LEU  QQD   117 ARG+ HN      7.23                
114 LEU  QQD   117 ARG+ QB      7.86                
114 LEU  QQD   117 ARG+ QG      6.37                
114 LEU  QQD   118 ALA  HN      5.65                
115 VAL  HN    115 VAL  HB      3.08                
115 VAL  HN    115 VAL  QG1     4.54                
115 VAL  HN    115 VAL  QG2     3.77                
115 VAL  HN    116 GLU- HN      3.27                
115 VAL  HN    116 GLU- QG      6.38                
115 VAL  HA    118 ALA  HN      3.61                
115 VAL  HA    119 ILE  HN      4.42                
115 VAL  HA    119 ILE  QD1     5.04                
115 VAL  HB    116 GLU- HN      3.70                
115 VAL  QG1   116 GLU- HN      4.85                
115 VAL  QG1   119 ILE  HN      4.70                
115 VAL  QG2   116 GLU- HN      5.13                
115 VAL  QG2   118 ALA  HN      5.13                
116 GLU- HN    116 GLU- HB2     3.27                
116 GLU- HN    116 GLU- HB3     3.27                
116 GLU- HN    116 GLU- QB      2.96                
116 GLU- HN    116 GLU- HG2     3.89                
116 GLU- HN    116 GLU- HG3     3.89                
116 GLU- HN    116 GLU- QG      3.62                
116 GLU- HN    117 ARG+ HN      3.39                
116 GLU- HN    117 ARG+ QG      6.38                
116 GLU- HN    119 ILE  HN      4.85                
116 GLU- HA    116 GLU- HG2     3.92                
116 GLU- HA    116 GLU- HG3     3.92                
116 GLU- HA    116 GLU- QG      3.65                
116 GLU- HA    119 ILE  HN      3.58                
116 GLU- HA    119 ILE  QD1     4.17                
116 GLU- QB    117 ARG+ HN      4.08                
116 GLU- QG    117 ARG+ HN      5.94                
117 ARG+ HN    117 ARG+ HA      2.90                
117 ARG+ HN    117 ARG+ QD      6.38                
117 ARG+ HA    117 ARG+ HG2     4.04                
117 ARG+ HA    117 ARG+ HG3     4.04                
117 ARG+ HA    117 ARG+ QD      5.48                
117 ARG+ HA    119 ILE  HN      4.66                
117 ARG+ HA    120 SER  HN      3.61                
117 ARG+ HA    121 HIS  HN      4.69                
117 ARG+ QB    118 ALA  HN      4.39                
117 ARG+ QB    120 SER  HN      5.85                
117 ARG+ QD    118 ALA  HN      6.38                
118 ALA  HN    119 ILE  HN      3.21                
118 ALA  HN    119 ILE  QG2     6.53                
118 ALA  HA    120 SER  HN      3.61                
118 ALA  HA    121 HIS  HN      4.72                
119 ILE  HN    119 ILE  HB      3.08                
119 ILE  HN    119 ILE  HG12    3.79                
119 ILE  HN    119 ILE  HG13    3.79                
119 ILE  HN    119 ILE  QD1     5.10                
119 ILE  HN    121 HIS  HE1     5.50                
119 ILE  HA    119 ILE  HG12    4.01                
119 ILE  HA    119 ILE  HG13    4.01                
119 ILE  HA    119 ILE  QG1     3.76                
119 ILE  HA    120 SER  HN      3.48                
119 ILE  HA    122 TYR  QB      4.89                
119 ILE  HA    122 TYR  QD      6.62                
119 ILE  HB    120 SER  HN      3.33                
119 ILE  QG2   120 SER  HN      4.45                
119 ILE  QG2   121 HIS  HN      6.53                
119 ILE  HG12  120 SER  HN      5.28                
119 ILE  HG13  120 SER  HN      5.28                
120 SER  HN    120 SER  QB      3.50                
120 SER  HN    121 HIS  QB      5.51                
120 SER  HN    122 TYR  QD      7.64                
120 SER  HA    120 SER  QB      2.67                
120 SER  HA    122 TYR  HN      4.66                
120 SER  HA    123 GLN  QB      4.58                
120 SER  QB    121 HIS  HN      4.42                
120 SER  QB    122 TYR  HN      5.91                
121 HIS  HN    121 HIS  HB2     3.33                
121 HIS  HN    121 HIS  HB3     3.33                
121 HIS  HN    122 TYR  HN      3.55                
121 HIS  HN    122 TYR  QD      7.64                
121 HIS  HN    122 TYR  QE      7.63                
121 HIS  HA    122 TYR  HN      3.39                
121 HIS  QB    122 TYR  HN      5.01                
122 TYR  HN    122 TYR  HB2     3.48                
122 TYR  HN    122 TYR  HB3     3.48                
122 TYR  HN    122 TYR  QE      7.63                
122 TYR  HA    122 TYR  HB2     2.90                
122 TYR  HA    122 TYR  HB3     2.90                
122 TYR  HA    122 TYR  QB      2.70                
122 TYR  HA    124 GLU- HN      4.14                
122 TYR  HB2   123 GLN  HN      4.17                
122 TYR  HB3   123 GLN  HN      4.17                
122 TYR  QB    123 GLN  HN      3.98                
122 TYR  QB    124 GLU- HN      5.48                
122 TYR  QD    123 GLN  HN      7.64                
122 TYR  QE    123 GLN  HN      7.63                
123 GLN  HN    123 GLN  HB2     3.58                
123 GLN  HN    123 GLN  HB3     3.58                
123 GLN  HN    123 GLN  QB      3.31                
123 GLN  HN    123 GLN  QG      6.04                
123 GLN  HA    124 GLU- HN      2.56                
123 GLN  QG    124 GLU- HN      6.38                
124 GLU- HN    124 GLU- HA      2.90                
124 GLU- HN    124 GLU- HB2     3.42                
124 GLU- HN    124 GLU- HB3     3.42                
124 GLU- HN    124 GLU- QB      3.23                
124 GLU- HN    124 GLU- QG      6.38                
124 GLU- HA    124 GLU- HB2     2.96                
124 GLU- HA    124 GLU- HB3     2.96                

  Entry H atom name         Submitted Coord H atom name
    1    H    MET   1           H        MET   1 -14.469  -3.874  16.595
    2    HA   MET   1           HA       MET   1 -13.668  -4.154  13.832
    3   1HB   MET   1          1HB       MET   1 -15.123  -2.058  15.497
    4   2HB   MET   1          2HB       MET   1 -14.469  -1.607  13.935
    5   1HG   MET   1          1HG       MET   1 -15.783  -3.418  12.839
    6   2HG   MET   1          2HG       MET   1 -16.401  -3.933  14.395
    7   1HE   MET   1          1HE       MET   1 -19.287  -2.173  12.346
    8   2HE   MET   1          2HE       MET   1 -18.136  -3.523  12.198
    9   3HE   MET   1          3HE       MET   1 -19.179  -3.396  13.634
   10    H    GLN   2           H        GLN   2 -12.348  -2.229  12.887
   11    HA   GLN   2           HA       GLN   2 -10.483  -1.123  12.787
   12   1HB   GLN   2          1HB       GLN   2 -11.679   0.171  14.700
   13   2HB   GLN   2          2HB       GLN   2 -10.567  -0.638  15.786
   14   1HG   GLN   2          1HG       GLN   2  -9.227   0.548  13.422
   15   2HG   GLN   2          2HG       GLN   2 -10.054   1.736  14.410
   16   1HE2  GLN   2          1HE2      GLN   2  -7.312  -0.170  14.021
   17   2HE2  GLN   2          2HE2      GLN   2  -6.547   0.078  15.555
   18    H    ARG   3           H        ARG   3  -8.534  -2.078  12.399
   19    HA   ARG   3           HA       ARG   3  -6.896  -3.005  14.380
   20   1HB   ARG   3          1HB       ARG   3  -8.817  -4.855  14.263
   21   2HB   ARG   3          2HB       ARG   3  -7.945  -5.402  12.846
   22   1HG   ARG   3          1HG       ARG   3  -6.821  -6.645  14.445
   23   2HG   ARG   3          2HG       ARG   3  -5.827  -5.202  14.489
   24   1HD   ARG   3          1HD       ARG   3  -6.853  -4.402  16.493
   25   2HD   ARG   3          2HD       ARG   3  -8.257  -5.433  16.299
   26    HE   ARG   3           HE       ARG   3  -5.681  -6.193  17.462
   27   1HH1  ARG   3          2HH2      ARG   3  -8.598  -7.396  15.904
   28   2HH1  ARG   3          1HH2      ARG   3  -8.448  -8.989  16.567
   29   1HH2  ARG   3          2HH1      ARG   3  -5.483  -8.295  18.337
   30   2HH2  ARG   3          1HH1      ARG   3  -6.665  -9.504  17.961
   31    H    GLY   4           H        GLY   4  -6.293  -1.364  12.382
   32   1HA   GLY   4          1HA       GLY   4  -4.277  -1.479  11.074
   33   2HA   GLY   4          2HA       GLY   4  -4.803  -3.027  10.445
   34    H    ILE   5           H        ILE   5  -4.190  -0.224   9.214
   35    HA   ILE   5           HA       ILE   5  -6.661  -0.120   7.631
   36    HB   ILE   5           HB       ILE   5  -5.045   2.118   8.812
   37   1HG1  ILE   5          1HG1      ILE   5  -8.038   1.977   8.631
   38   2HG1  ILE   5          2HG1      ILE   5  -7.207   0.988   9.815
   39   1HG2  ILE   5          1HG2      ILE   5  -5.141   2.650   6.464
   40   2HG2  ILE   5          2HG2      ILE   5  -6.882   2.281   6.409
   41   3HG2  ILE   5          3HG2      ILE   5  -6.297   3.678   7.344
   42   1HD1  ILE   5          1HD1      ILE   5  -6.065   3.011  10.721
   43   2HD1  ILE   5          2HD1      ILE   5  -6.913   4.014   9.520
   44   3HD1  ILE   5          3HD1      ILE   5  -7.837   3.173  10.788
   45    H    VAL   6           H        VAL   6  -6.388   0.238   5.374
   46    HA   VAL   6           HA       VAL   6  -3.665   0.414   4.396
   47    HB   VAL   6           HB       VAL   6  -5.320  -2.032   4.365
   48   1HG1  VAL   6          1HG1      VAL   6  -4.259  -2.738   2.161
   49   2HG1  VAL   6          2HG1      VAL   6  -5.599  -1.570   2.052
   50   3HG1  VAL   6          3HG1      VAL   6  -3.916  -1.014   1.882
   51   1HG2  VAL   6          1HG2      VAL   6  -3.234  -3.132   4.495
   52   2HG2  VAL   6          2HG2      VAL   6  -2.355  -1.726   3.847
   53   3HG2  VAL   6          3HG2      VAL   6  -3.047  -1.665   5.486
   54    H    TRP   7           H        TRP   7  -3.711   1.993   2.890
   55    HA   TRP   7           HA       TRP   7  -6.269   2.590   1.635
   56   1HB   TRP   7          1HB       TRP   7  -3.690   4.071   2.017
   57   2HB   TRP   7          2HB       TRP   7  -4.796   4.556   0.747
   58    HD1  TRP   7           HD       TRP   7  -6.684   3.318   3.749
   59    HE1  TRP   7          1HE       TRP   7  -7.725   5.278   5.177
   60    HE3  TRP   7          3HE       TRP   7  -4.110   7.058   1.459
   61    HZ2  TRP   7          2HZ       TRP   7  -7.364   8.109   5.188
   62    HZ3  TRP   7          3HZ       TRP   7  -4.512   9.392   2.239
   63    HH2  TRP   7           HH       TRP   7  -6.074   9.944   4.036
   64    H    VAL   8           H        VAL   8  -6.719   1.593  -0.280
   65    HA   VAL   8           HA       VAL   8  -4.529   0.463  -1.797
   66    HB   VAL   8           HB       VAL   8  -7.528   0.370  -2.182
   67   1HG1  VAL   8          1HG1      VAL   8  -7.253  -1.059  -3.950
   68   2HG1  VAL   8          2HG1      VAL   8  -5.786  -0.071  -4.153
   69   3HG1  VAL   8          3HG1      VAL   8  -5.684  -1.664  -3.365
   70   1HG2  VAL   8          1HG2      VAL   8  -6.710  -0.668  -0.064
   71   2HG2  VAL   8          2HG2      VAL   8  -7.449  -1.832  -1.189
   72   3HG2  VAL   8          3HG2      VAL   8  -5.678  -1.746  -1.034
   73    H    VAL   9           H        VAL   9  -3.874   1.125  -3.853
   74    HA   VAL   9           HA       VAL   9  -5.267   3.446  -4.960
   75    HB   VAL   9           HB       VAL   9  -2.266   3.263  -4.670
   76   1HG1  VAL   9          1HG1      VAL   9  -2.124   5.199  -5.826
   77   2HG1  VAL   9          2HG1      VAL   9  -3.719   4.723  -6.456
   78   3HG1  VAL   9          3HG1      VAL   9  -3.604   5.866  -5.097
   79   1HG2  VAL   9          1HG2      VAL   9  -2.601   5.142  -2.983
   80   2HG2  VAL   9          2HG2      VAL   9  -4.315   4.664  -2.936
   81   3HG2  VAL   9          3HG2      VAL   9  -3.054   3.507  -2.445
   82    H    ASP  10           H        ASP  10  -6.163   1.704  -6.346
   83    HA   ASP  10           HA       ASP  10  -4.186   0.970  -8.360
   84   1HB   ASP  10          1HB       ASP  10  -5.087  -0.958  -6.937
   85   2HB   ASP  10          2HB       ASP  10  -6.676  -0.623  -7.595
   86    H    ASP  11           H        ASP  11  -5.005   1.047 -10.592
   87    HA   ASP  11           HA       ASP  11  -7.278   2.805 -10.818
   88   1HB   ASP  11          1HB       ASP  11  -4.910   2.069 -12.478
   89   2HB   ASP  11          2HB       ASP  11  -6.373   2.366 -13.396
   90    H    ASP  12           H        ASP  12  -7.419  -0.186 -10.143
   91    HA   ASP  12           HA       ASP  12  -9.017  -0.967 -12.453
   92   1HB   ASP  12          1HB       ASP  12  -7.085  -2.525 -10.734
   93   2HB   ASP  12          2HB       ASP  12  -8.478  -3.373 -11.374
   94    H    SER  13           H        SER  13 -10.622  -2.890 -11.615
   95    HA   SER  13           HA       SER  13 -11.548  -2.126  -8.960
   96   1HB   SER  13          1HB       SER  13 -12.879  -1.352 -11.178
   97   2HB   SER  13          2HB       SER  13 -13.555  -2.962 -11.037
   98    HG   SER  13           HG       SER  13 -13.456  -1.281  -8.715
   99    H    SER  14           H        SER  14  -9.823  -4.235  -9.186
  100    HA   SER  14           HA       SER  14 -11.638  -6.491  -8.910
  101   1HB   SER  14          1HB       SER  14 -10.292  -6.497 -11.112
  102   2HB   SER  14          2HB       SER  14  -8.861  -6.737 -10.131
  103    HG   SER  14           HG       SER  14  -9.500  -8.767  -9.581
  104    H    ILE  15           H        ILE  15  -8.415  -5.008  -8.237
  105    HA   ILE  15           HA       ILE  15  -7.944  -6.839  -6.061
  106    HB   ILE  15           HB       ILE  15  -6.386  -4.408  -6.946
  107   1HG1  ILE  15          1HG1      ILE  15  -6.842  -6.559  -8.524
  108   2HG1  ILE  15          2HG1      ILE  15  -5.380  -5.594  -8.572
  109   1HG2  ILE  15          1HG2      ILE  15  -5.908  -5.124  -4.648
  110   2HG2  ILE  15          2HG2      ILE  15  -5.569  -6.771  -5.232
  111   3HG2  ILE  15          3HG2      ILE  15  -4.529  -5.417  -5.735
  112   1HD1  ILE  15          1HD1      ILE  15  -5.753  -8.105  -6.873
  113   2HD1  ILE  15          2HD1      ILE  15  -4.879  -8.031  -8.422
  114   3HD1  ILE  15          3HD1      ILE  15  -4.258  -7.147  -7.007
  115    H    ARG  16           H        ARG  16  -9.008  -3.459  -6.600
  116    HA   ARG  16           HA       ARG  16  -8.766  -2.556  -4.045
  117   1HB   ARG  16          1HB       ARG  16 -10.378  -0.842  -4.669
  118   2HB   ARG  16          2HB       ARG  16  -9.438  -1.218  -6.098
  119   1HG   ARG  16          1HG       ARG  16 -11.233  -2.701  -6.937
  120   2HG   ARG  16          2HG       ARG  16 -12.159  -2.456  -5.469
  121   1HD   ARG  16          1HD       ARG  16 -11.881   0.139  -6.146
  122   2HD   ARG  16          2HD       ARG  16 -11.668  -0.539  -7.748
  123    HE   ARG  16           HE       ARG  16 -13.914  -1.855  -6.882
  124   1HH1  ARG  16          2HH2      ARG  16 -13.034   1.552  -6.905
  125   2HH1  ARG  16          1HH2      ARG  16 -14.669   2.104  -7.055
  126   1HH2  ARG  16          2HH1      ARG  16 -16.071  -1.127  -7.080
  127   2HH2  ARG  16          1HH1      ARG  16 -16.408   0.570  -7.155
  128    H    TRP  17           H        TRP  17 -11.262  -4.633  -5.555
  129    HA   TRP  17           HA       TRP  17 -13.026  -4.473  -3.299
  130   1HB   TRP  17          1HB       TRP  17 -14.453  -5.108  -4.852
  131   2HB   TRP  17          2HB       TRP  17 -13.151  -5.362  -5.998
  132    HD1  TRP  17           HD       TRP  17 -14.171  -7.526  -2.893
  133    HE1  TRP  17          1HE       TRP  17 -14.493 -10.048  -3.599
  134    HE3  TRP  17          3HE       TRP  17 -13.262  -6.804  -7.843
  135    HZ2  TRP  17          2HZ       TRP  17 -14.335 -11.427  -6.092
  136    HZ3  TRP  17          3HZ       TRP  17 -13.366  -8.791  -9.345
  137    HH2  TRP  17           HH       TRP  17 -13.880 -11.041  -8.542
  138    H    VAL  18           H        VAL  18 -10.797  -6.932  -4.782
  139    HA   VAL  18           HA       VAL  18 -11.155  -8.917  -2.911
  140    HB   VAL  18           HB       VAL  18  -8.733  -8.115  -4.531
  141   1HG1  VAL  18          1HG1      VAL  18  -8.696  -9.848  -2.383
  142   2HG1  VAL  18          2HG1      VAL  18  -8.966 -10.940  -3.763
  143   3HG1  VAL  18          3HG1      VAL  18  -7.553  -9.857  -3.747
  144   1HG2  VAL  18          1HG2      VAL  18 -10.303 -10.521  -5.233
  145   2HG2  VAL  18          2HG2      VAL  18 -11.161  -8.974  -5.430
  146   3HG2  VAL  18          3HG2      VAL  18  -9.617  -9.249  -6.273
  147    H    LEU  19           H        LEU  19  -8.655  -6.279  -2.948
  148    HA   LEU  19           HA       LEU  19  -7.485  -6.944  -0.535
  149   1HB   LEU  19          1HB       LEU  19  -7.662  -4.521  -2.247
  150   2HB   LEU  19          2HB       LEU  19  -7.108  -4.296  -0.600
  151    HG   LEU  19           HG       LEU  19  -5.864  -6.281  -2.518
  152   1HD1  LEU  19          1HD1      LEU  19  -4.285  -4.728  -3.195
  153   2HD1  LEU  19          2HD1      LEU  19  -5.782  -3.766  -3.167
  154   3HD1  LEU  19          3HD1      LEU  19  -4.615  -3.635  -1.829
  155   1HD2  LEU  19          1HD2      LEU  19  -5.561  -6.691  -0.075
  156   2HD2  LEU  19          2HD2      LEU  19  -4.046  -6.392  -0.960
  157   3HD2  LEU  19          3HD2      LEU  19  -4.758  -5.107   0.045
  158    H    GLU  20           H        GLU  20 -10.141  -4.557  -1.202
  159    HA   GLU  20           HA       GLU  20 -10.523  -3.858   1.425
  160   1HB   GLU  20          1HB       GLU  20 -11.526  -2.514  -0.276
  161   2HB   GLU  20          2HB       GLU  20 -12.352  -3.881  -0.997
  162   1HG   GLU  20          1HG       GLU  20 -14.048  -3.888   0.595
  163   2HG   GLU  20          2HG       GLU  20 -13.004  -3.302   1.875
  164    H    ARG  21           H        ARG  21 -11.875  -6.575  -0.509
  165    HA   ARG  21           HA       ARG  21 -13.723  -7.357   1.412
  166   1HB   ARG  21          1HB       ARG  21 -14.080  -8.242  -0.759
  167   2HB   ARG  21          2HB       ARG  21 -12.397  -8.686  -0.967
  168   1HG   ARG  21          1HG       ARG  21 -12.597 -10.623   0.387
  169   2HG   ARG  21          2HG       ARG  21 -14.024 -10.026   1.210
  170   1HD   ARG  21          1HD       ARG  21 -14.754 -10.122  -1.535
  171   2HD   ARG  21          2HD       ARG  21 -13.840 -11.592  -1.260
  172    HE   ARG  21           HE       ARG  21 -15.799 -11.065   0.849
  173   1HH1  ARG  21          2HH2      ARG  21 -15.318 -12.494  -2.331
  174   2HH1  ARG  21          1HH2      ARG  21 -16.668 -13.570  -2.193
  175   1HH2  ARG  21          2HH1      ARG  21 -17.580 -12.485   1.032
  176   2HH2  ARG  21          1HH1      ARG  21 -17.964 -13.565  -0.267
  177    H    ALA  22           H        ALA  22 -10.413  -8.612   0.561
  178    HA   ALA  22           HA       ALA  22 -10.319 -10.533   2.589
  179   1HB   ALA  22          1HB       ALA  22  -8.246  -9.055   0.943
  180   2HB   ALA  22          2HB       ALA  22  -7.785 -10.270   2.160
  181   3HB   ALA  22          3HB       ALA  22  -8.806 -10.737   0.779
  182    H    LEU  23           H        LEU  23  -9.161  -7.104   2.434
  183    HA   LEU  23           HA       LEU  23  -8.029  -7.080   4.981
  184   1HB   LEU  23          1HB       LEU  23  -9.055  -4.982   3.098
  185   2HB   LEU  23          2HB       LEU  23  -8.520  -4.542   4.708
  186    HG   LEU  23           HG       LEU  23  -6.531  -6.220   3.463
  187   1HD1  LEU  23          1HD1      LEU  23  -6.072  -4.062   1.826
  188   2HD1  LEU  23          2HD1      LEU  23  -6.734  -5.633   1.316
  189   3HD1  LEU  23          3HD1      LEU  23  -7.833  -4.283   1.688
  190   1HD2  LEU  23          1HD2      LEU  23  -6.677  -3.457   4.631
  191   2HD2  LEU  23          2HD2      LEU  23  -5.798  -4.892   5.209
  192   3HD2  LEU  23          3HD2      LEU  23  -5.210  -4.002   3.784
  193    H    ALA  24           H        ALA  24 -11.376  -6.516   3.808
  194    HA   ALA  24           HA       ALA  24 -12.248  -5.846   6.483
  195   1HB   ALA  24          1HB       ALA  24 -13.748  -6.205   3.856
  196   2HB   ALA  24          2HB       ALA  24 -14.444  -5.576   5.369
  197   3HB   ALA  24          3HB       ALA  24 -13.166  -4.664   4.530
  198    H    GLY  25           H        GLY  25 -11.335  -8.658   4.957
  199   1HA   GLY  25          1HA       GLY  25 -13.479 -10.267   6.191
  200   2HA   GLY  25          2HA       GLY  25 -12.422 -10.776   4.889
  201    H    ALA  26           H        ALA  26 -10.037  -9.405   6.277
  202    HA   ALA  26           HA       ALA  26  -9.414 -11.679   7.967
  203   1HB   ALA  26          1HB       ALA  26  -7.946 -10.633   6.083
  204   2HB   ALA  26          2HB       ALA  26  -7.570  -9.380   7.290
  205   3HB   ALA  26          3HB       ALA  26  -7.168 -11.083   7.619
  206    H    GLY  27           H        GLY  27 -10.853  -8.634   8.301
  207   1HA   GLY  27          1HA       GLY  27 -11.596  -7.784  10.320
  208   2HA   GLY  27          2HA       GLY  27 -10.353  -8.673  11.177
  209    H    LEU  28           H        LEU  28  -9.804  -6.658   8.248
  210    HA   LEU  28           HA       LEU  28  -8.431  -4.713   9.962
  211   1HB   LEU  28          1HB       LEU  28  -6.922  -6.409   8.802
  212   2HB   LEU  28          2HB       LEU  28  -7.379  -5.639   7.296
  213    HG   LEU  28           HG       LEU  28  -6.468  -3.713   9.306
  214   1HD1  LEU  28          1HD1      LEU  28  -4.058  -4.357   9.108
  215   2HD1  LEU  28          2HD1      LEU  28  -5.042  -5.462  10.098
  216   3HD1  LEU  28          3HD1      LEU  28  -4.586  -5.920   8.439
  217   1HD2  LEU  28          1HD2      LEU  28  -5.772  -2.595   7.494
  218   2HD2  LEU  28          2HD2      LEU  28  -4.976  -4.023   6.790
  219   3HD2  LEU  28          3HD2      LEU  28  -6.729  -3.790   6.586
  220    H    THR  29           H        THR  29  -8.069  -2.581   8.754
  221    HA   THR  29           HA       THR  29 -10.547  -1.987   7.321
  222    HB   THR  29           HB       THR  29  -8.415  -0.155   8.541
  223    HG1  THR  29          1HG       THR  29 -10.998  -1.248   9.413
  224   1HG2  THR  29          1HG2      THR  29 -10.980   0.997   8.688
  225   2HG2  THR  29          2HG2      THR  29  -9.691   1.478   7.558
  226   3HG2  THR  29          3HG2      THR  29 -10.924   0.298   7.052
  227    H    CYS  30           H        CYS  30 -10.540  -0.651   5.392
  228    HA   CYS  30           HA       CYS  30  -8.029  -0.482   3.995
  229   1HB   CYS  30          1HB       CYS  30  -8.534  -2.697   3.315
  230   2HB   CYS  30          2HB       CYS  30 -10.234  -2.340   3.087
  231    HG   CYS  30           HG       CYS  30  -9.861  -0.548   1.168
  232    H    THR  31           H        THR  31  -8.219   1.009   2.145
  233    HA   THR  31           HA       THR  31 -10.814   2.287   1.799
  234    HB   THR  31           HB       THR  31  -8.334   3.940   2.450
  235    HG1  THR  31          1HG       THR  31  -8.743   2.741   4.347
  236   1HG2  THR  31          1HG2      THR  31 -10.014   5.627   3.088
  237   2HG2  THR  31          2HG2      THR  31 -10.364   5.077   1.432
  238   3HG2  THR  31          3HG2      THR  31 -11.332   4.467   2.795
  239    H    THR  32           H        THR  32 -11.117   1.885  -0.316
  240    HA   THR  32           HA       THR  32  -8.965   1.705  -2.147
  241    HB   THR  32           HB       THR  32 -11.027   1.806  -3.771
  242    HG1  THR  32          1HG       THR  32 -12.966   2.080  -2.672
  243   1HG2  THR  32          1HG2      THR  32 -10.030  -0.358  -2.755
  244   2HG2  THR  32          2HG2      THR  32 -11.273  -0.212  -1.489
  245   3HG2  THR  32          3HG2      THR  32 -11.754  -0.430  -3.189
  246    H    PHE  33           H        PHE  33  -7.857   3.203  -3.241
  247    HA   PHE  33           HA       PHE  33  -9.123   5.802  -3.611
  248   1HB   PHE  33          1HB       PHE  33  -6.458   5.094  -2.271
  249   2HB   PHE  33          2HB       PHE  33  -6.699   6.679  -2.979
  250    HD1  PHE  33          1HD       PHE  33  -6.701   5.040   0.009
  251    HD2  PHE  33          2HD       PHE  33  -9.165   7.679  -2.220
  252    HE1  PHE  33          1HE       PHE  33  -7.783   5.824   2.134
  253    HE2  PHE  33          2HE       PHE  33 -10.247   8.464  -0.095
  254    HZ   PHE  33           HZ       PHE  33  -9.543   7.527   2.056
  255    H    GLU  34           H        GLU  34  -9.308   4.747  -5.813
  256    HA   GLU  34           HA       GLU  34  -6.897   4.225  -7.193
  257   1HB   GLU  34          1HB       GLU  34  -8.370   3.933  -9.162
  258   2HB   GLU  34          2HB       GLU  34  -8.988   3.063  -7.771
  259   1HG   GLU  34          1HG       GLU  34 -10.960   4.124  -8.213
  260   2HG   GLU  34          2HG       GLU  34 -10.223   5.515  -7.444
  261    H    ASN  35           H        ASN  35  -6.546   6.724  -6.079
  262    HA   ASN  35           HA       ASN  35  -6.133   8.260  -8.417
  263   1HB   ASN  35          1HB       ASN  35  -7.940   9.458  -6.253
  264   2HB   ASN  35          2HB       ASN  35  -7.433  10.248  -7.733
  265   1HD2  ASN  35          1HD2      ASN  35  -9.586   8.024  -6.245
  266   2HD2  ASN  35          2HD2      ASN  35 -10.584   7.652  -7.611
  267    H    GLY  36           H        GLY  36  -3.913   8.154  -7.671
  268   1HA   GLY  36          1HA       GLY  36  -2.799   8.338  -5.270
  269   2HA   GLY  36          2HA       GLY  36  -2.143   9.176  -6.663
  270    H    ASN  37           H        ASN  37  -4.506  11.004  -6.947
  271    HA   ASN  37           HA       ASN  37  -3.546  13.082  -5.436
  272   1HB   ASN  37          1HB       ASN  37  -5.379  12.794  -7.489
  273   2HB   ASN  37          2HB       ASN  37  -6.452  13.181  -6.158
  274   1HD2  ASN  37          1HD2      ASN  37  -3.440  14.194  -7.737
  275   2HD2  ASN  37          2HD2      ASN  37  -3.611  15.898  -7.479
  276    H    GLU  38           H        GLU  38  -6.655  11.196  -5.094
  277    HA   GLU  38           HA       GLU  38  -7.563  12.345  -2.823
  278   1HB   GLU  38          1HB       GLU  38  -8.079   9.940  -4.343
  279   2HB   GLU  38          2HB       GLU  38  -8.142   9.542  -2.638
  280   1HG   GLU  38          1HG       GLU  38  -9.525  11.946  -2.691
  281   2HG   GLU  38          2HG       GLU  38  -9.956  11.265  -4.247
  282    H    VAL  39           H        VAL  39  -5.393   9.443  -3.091
  283    HA   VAL  39           HA       VAL  39  -5.107   9.131  -0.312
  284    HB   VAL  39           HB       VAL  39  -4.195   7.922  -2.752
  285   1HG1  VAL  39          1HG1      VAL  39  -2.065   8.095  -0.596
  286   2HG1  VAL  39          2HG1      VAL  39  -1.971   7.209  -2.137
  287   3HG1  VAL  39          3HG1      VAL  39  -2.022   8.988  -2.135
  288   1HG2  VAL  39          1HG2      VAL  39  -4.875   6.119  -1.624
  289   2HG2  VAL  39          2HG2      VAL  39  -3.654   6.385  -0.356
  290   3HG2  VAL  39          3HG2      VAL  39  -5.240   7.185  -0.246
  291    H    LEU  40           H        LEU  40  -4.037  11.581  -2.436
  292    HA   LEU  40           HA       LEU  40  -1.647  12.124  -0.861
  293   1HB   LEU  40          1HB       LEU  40  -0.991  12.486  -2.968
  294   2HB   LEU  40          2HB       LEU  40  -2.619  12.766  -3.555
  295    HG   LEU  40           HG       LEU  40  -2.328  15.052  -2.210
  296   1HD1  LEU  40          1HD1      LEU  40   0.052  14.138  -1.561
  297   2HD1  LEU  40          2HD1      LEU  40   0.494  14.767  -3.167
  298   3HD1  LEU  40          3HD1      LEU  40  -0.198  15.858  -1.943
  299   1HD2  LEU  40          1HD2      LEU  40  -1.737  16.127  -4.294
  300   2HD2  LEU  40          2HD2      LEU  40  -1.113  14.594  -4.948
  301   3HD2  LEU  40          3HD2      LEU  40  -2.851  14.776  -4.610
  302    H    ALA  41           H        ALA  41  -4.893  13.451  -1.671
  303    HA   ALA  41           HA       ALA  41  -4.450  15.711   0.075
  304   1HB   ALA  41          1HB       ALA  41  -6.717  16.348  -0.662
  305   2HB   ALA  41          2HB       ALA  41  -5.681  15.950  -2.054
  306   3HB   ALA  41          3HB       ALA  41  -6.895  14.779  -1.485
  307    H    ALA  42           H        ALA  42  -5.055  12.459   0.535
  308    HA   ALA  42           HA       ALA  42  -6.850  12.965   2.801
  309   1HB   ALA  42          1HB       ALA  42  -7.446  10.631   2.643
  310   2HB   ALA  42          2HB       ALA  42  -7.539  11.323   1.006
  311   3HB   ALA  42          3HB       ALA  42  -6.143  10.322   1.471
  312    H    LEU  43           H        LEU  43  -3.662  11.771   1.745
  313    HA   LEU  43           HA       LEU  43  -3.031  11.090   4.516
  314   1HB   LEU  43          1HB       LEU  43  -2.533   9.773   2.173
  315   2HB   LEU  43          2HB       LEU  43  -1.024  10.631   2.416
  316    HG   LEU  43           HG       LEU  43  -2.165   9.104   4.723
  317   1HD1  LEU  43          1HD1      LEU  43  -0.556   7.713   2.578
  318   2HD1  LEU  43          2HD1      LEU  43  -1.363   7.005   3.997
  319   3HD1  LEU  43          3HD1      LEU  43  -2.333   7.649   2.652
  320   1HD2  LEU  43          1HD2      LEU  43  -0.058   9.162   5.558
  321   2HD2  LEU  43          2HD2      LEU  43   0.707   9.035   3.956
  322   3HD2  LEU  43          3HD2      LEU  43   0.046  10.593   4.505
  323    H    ALA  44           H        ALA  44  -3.235  13.831   2.798
  324    HA   ALA  44           HA       ALA  44  -0.580  14.844   3.403
  325   1HB   ALA  44          1HB       ALA  44  -1.263  15.625   1.325
  326   2HB   ALA  44          2HB       ALA  44  -2.971  15.749   1.814
  327   3HB   ALA  44          3HB       ALA  44  -1.794  16.961   2.374
  328    H    SER  45           H        SER  45  -3.578  14.385   4.961
  329    HA   SER  45           HA       SER  45  -3.043  16.674   6.686
  330   1HB   SER  45          1HB       SER  45  -5.475  15.689   5.486
  331   2HB   SER  45          2HB       SER  45  -5.624  15.519   7.223
  332    HG   SER  45           HG       SER  45  -4.656  17.887   7.117
  333    H    LYS  46           H        LYS  46  -3.034  13.222   6.365
  334    HA   LYS  46           HA       LYS  46  -2.062  12.900   9.005
  335   1HB   LYS  46          1HB       LYS  46  -4.903  12.715   8.685
  336   2HB   LYS  46          2HB       LYS  46  -4.284  11.108   9.007
  337   1HG   LYS  46          1HG       LYS  46  -3.216  11.813  11.055
  338   2HG   LYS  46          2HG       LYS  46  -3.407  13.510  10.661
  339   1HD   LYS  46          1HD       LYS  46  -5.701  13.523  11.176
  340   2HD   LYS  46          2HD       LYS  46  -5.896  11.813  10.850
  341   1HE   LYS  46          1HE       LYS  46  -4.057  11.850  12.972
  342   2HE   LYS  46          2HE       LYS  46  -5.147  13.164  13.367
  343   1HZ   LYS  46          1HZ       LYS  46  -6.986  11.628  13.059
  344   2HZ   LYS  46          2HZ       LYS  46  -5.949  10.406  12.744
  345   3HZ   LYS  46          3HZ       LYS  46  -5.965  11.104  14.221
  346    H    THR  47           H        THR  47  -2.488  10.111   9.268
  347    HA   THR  47           HA       THR  47  -1.848   8.876   6.745
  348    HB   THR  47           HB       THR  47   0.323   9.956   7.532
  349    HG1  THR  47          1HG       THR  47   1.283   7.565   7.640
  350   1HG2  THR  47          1HG2      THR  47   1.468   9.060   9.456
  351   2HG2  THR  47          2HG2      THR  47  -0.163   9.469  10.042
  352   3HG2  THR  47          3HG2      THR  47   0.252   7.778   9.671
  353    HA   PRO  48           HA       PRO  48  -3.812   5.708   8.898
  354   1HB   PRO  48          1HB       PRO  48  -3.585   3.723   7.033
  355   2HB   PRO  48          2HB       PRO  48  -4.831   4.954   6.975
  356   1HG   PRO  48          1HG       PRO  48  -2.389   4.710   5.326
  357   2HG   PRO  48          2HG       PRO  48  -3.832   5.656   5.018
  358   1HD   PRO  48          1HD       PRO  48  -1.305   6.637   5.955
  359   2HD   PRO  48          2HD       PRO  48  -2.780   7.562   5.757
  360    H    ASP  49           H        ASP  49  -3.291   2.965   8.777
  361    HA   ASP  49           HA       ASP  49  -1.000   3.005  10.487
  362   1HB   ASP  49          1HB       ASP  49  -2.445   0.488   9.628
  363   2HB   ASP  49          2HB       ASP  49  -1.686   0.839  11.168
  364    H    VAL  50           H        VAL  50  -1.749   2.508   7.150
  365    HA   VAL  50           HA       VAL  50   0.841   2.031   6.364
  366    HB   VAL  50           HB       VAL  50  -0.463  -0.331   7.366
  367   1HG1  VAL  50          1HG1      VAL  50  -0.161  -1.853   5.518
  368   2HG1  VAL  50          2HG1      VAL  50  -1.238  -0.535   4.997
  369   3HG1  VAL  50          3HG1      VAL  50   0.467  -0.548   4.484
  370   1HG2  VAL  50          1HG2      VAL  50   2.248   0.542   6.470
  371   2HG2  VAL  50          2HG2      VAL  50   1.725  -0.186   8.008
  372   3HG2  VAL  50          3HG2      VAL  50   1.934  -1.208   6.565
  373    H    LEU  51           H        LEU  51   0.869   1.248   3.953
  374    HA   LEU  51           HA       LEU  51  -1.682   1.928   2.690
  375   1HB   LEU  51          1HB       LEU  51   0.636   3.572   2.765
  376   2HB   LEU  51          2HB       LEU  51   0.477   2.959   1.131
  377    HG   LEU  51           HG       LEU  51  -1.935   3.764   1.180
  378   1HD1  LEU  51          1HD1      LEU  51  -2.378   5.624   2.817
  379   2HD1  LEU  51          2HD1      LEU  51  -2.350   3.985   3.511
  380   3HD1  LEU  51          3HD1      LEU  51  -0.953   5.067   3.728
  381   1HD2  LEU  51          1HD2      LEU  51  -0.961   6.305   1.206
  382   2HD2  LEU  51          2HD2      LEU  51   0.535   5.364   0.993
  383   3HD2  LEU  51          3HD2      LEU  51  -0.809   5.172  -0.158
  384    H    LEU  52           H        LEU  52  -1.819   1.141   0.419
  385    HA   LEU  52           HA       LEU  52   0.149  -0.885  -0.256
  386   1HB   LEU  52          1HB       LEU  52  -1.681  -1.886   1.209
  387   2HB   LEU  52          2HB       LEU  52  -2.776  -1.597  -0.129
  388    HG   LEU  52           HG       LEU  52  -1.127  -2.976  -1.552
  389   1HD1  LEU  52          1HD1      LEU  52   0.535  -2.837   0.537
  390   2HD1  LEU  52          2HD1      LEU  52  -0.300  -4.354   0.951
  391   3HD1  LEU  52          3HD1      LEU  52   0.537  -4.197  -0.612
  392   1HD2  LEU  52          1HD2      LEU  52  -2.815  -4.404  -1.408
  393   2HD2  LEU  52          2HD2      LEU  52  -2.133  -5.043   0.107
  394   3HD2  LEU  52          3HD2      LEU  52  -3.307  -3.706   0.154
  395    H    SER  53           H        SER  53   0.327   1.283  -1.613
  396    HA   SER  53           HA       SER  53  -1.666   1.586  -3.592
  397   1HB   SER  53          1HB       SER  53   0.973   2.825  -2.926
  398   2HB   SER  53          2HB       SER  53   0.487   2.932  -4.607
  399    HG   SER  53           HG       SER  53  -1.020   3.843  -2.307
  400    H    ASP  54           H        ASP  54  -1.055   1.488  -6.025
  401    HA   ASP  54           HA       ASP  54   0.532  -0.926  -6.419
  402   1HB   ASP  54          1HB       ASP  54  -1.557   0.142  -8.352
  403   2HB   ASP  54          2HB       ASP  54  -0.890  -1.476  -8.279
  404    H    ILE  55           H        ILE  55   0.204  -0.385  -9.445
  405    HA   ILE  55           HA       ILE  55   2.458   1.418  -9.652
  406    HB   ILE  55           HB       ILE  55   2.287   0.689 -12.092
  407   1HG1  ILE  55          1HG1      ILE  55  -0.159  -0.154 -11.610
  408   2HG1  ILE  55          2HG1      ILE  55   0.871  -0.977 -12.765
  409   1HG2  ILE  55          1HG2      ILE  55   3.026  -1.768 -11.246
  410   2HG2  ILE  55          2HG2      ILE  55   4.061  -0.323 -11.138
  411   3HG2  ILE  55          3HG2      ILE  55   3.134  -0.863  -9.717
  412   1HD1  ILE  55          1HD1      ILE  55   1.017  -2.862 -11.483
  413   2HD1  ILE  55          2HD1      ILE  55   1.220  -1.933  -9.978
  414   3HD1  ILE  55          3HD1      ILE  55  -0.408  -2.202 -10.645
  415    H    ARG  56           H        ARG  56   0.389   1.358 -12.424
  416    HA   ARG  56           HA       ARG  56  -0.886   2.821 -13.378
  417   1HB   ARG  56          1HB       ARG  56  -1.313   3.877 -10.542
  418   2HB   ARG  56          2HB       ARG  56  -2.154   4.541 -11.929
  419   1HG   ARG  56          1HG       ARG  56  -3.693   2.933 -11.195
  420   2HG   ARG  56          2HG       ARG  56  -2.823   2.032 -12.420
  421   1HD   ARG  56          1HD       ARG  56  -1.244   1.284 -10.461
  422   2HD   ARG  56          2HD       ARG  56  -2.509   1.868  -9.398
  423    HE   ARG  56           HE       ARG  56  -3.696  -0.072  -9.886
  424   1HH1  ARG  56          2HH2      ARG  56  -1.598   0.655 -12.616
  425   2HH1  ARG  56          1HH2      ARG  56  -2.061  -0.754 -13.511
  426   1HH2  ARG  56          2HH1      ARG  56  -4.307  -1.931 -11.066
  427   2HH2  ARG  56          1HH1      ARG  56  -3.613  -2.235 -12.624
  428    H    MET  57           H        MET  57   0.809   4.605 -10.684
  429    HA   MET  57           HA       MET  57   1.144   6.977 -11.879
  430   1HB   MET  57          1HB       MET  57   3.370   5.560 -10.323
  431   2HB   MET  57          2HB       MET  57   3.037   7.280 -10.348
  432   1HG   MET  57          1HG       MET  57   1.440   5.076  -8.999
  433   2HG   MET  57          2HG       MET  57   2.110   6.527  -8.280
  434   1HE   MET  57          1HE       MET  57  -1.516   6.414  -7.826
  435   2HE   MET  57          2HE       MET  57  -1.800   5.560  -9.362
  436   3HE   MET  57          3HE       MET  57  -0.496   5.026  -8.274
  437    HA   PRO  58           HA       PRO  58   4.182   6.648 -14.973
  438   1HB   PRO  58          1HB       PRO  58   5.925   8.712 -14.562
  439   2HB   PRO  58          2HB       PRO  58   4.344   8.923 -15.288
  440   1HG   PRO  58          1HG       PRO  58   5.238   9.619 -12.557
  441   2HG   PRO  58          2HG       PRO  58   3.831  10.192 -13.431
  442   1HD   PRO  58          1HD       PRO  58   3.870   8.231 -11.338
  443   2HD   PRO  58          2HD       PRO  58   2.483   8.719 -12.291
  444    H    GLY  59           H        GLY  59   6.668   7.939 -12.925
  445   1HA   GLY  59          1HA       GLY  59   8.802   6.998 -12.853
  446   2HA   GLY  59          2HA       GLY  59   7.908   6.109 -11.636
  447    H    MET  60           H        MET  60   8.076   6.016 -15.275
  448    HA   MET  60           HA       MET  60   8.519   4.401 -16.665
  449   1HB   MET  60          1HB       MET  60  10.333   3.950 -14.643
  450   2HB   MET  60          2HB       MET  60   9.457   2.434 -14.584
  451   1HG   MET  60          1HG       MET  60   9.853   2.141 -17.061
  452   2HG   MET  60          2HG       MET  60  10.791   3.622 -17.066
  453   1HE   MET  60          1HE       MET  60  10.846   0.422 -14.364
  454   2HE   MET  60          2HE       MET  60  10.292   0.142 -16.032
  455   3HE   MET  60          3HE       MET  60  11.874  -0.478 -15.504
  456    H    ASP  61           H        ASP  61   7.600   2.675 -13.588
  457    HA   ASP  61           HA       ASP  61   5.572   1.317 -15.176
  458   1HB   ASP  61          1HB       ASP  61   6.370   0.413 -12.410
  459   2HB   ASP  61          2HB       ASP  61   5.789  -0.549 -13.754
  460    H    GLY  62           H        GLY  62   6.267   3.554 -12.574
  461   1HA   GLY  62          1HA       GLY  62   4.450   4.986 -11.887
  462   2HA   GLY  62          2HA       GLY  62   3.410   3.578 -11.811
  463    H    LEU  63           H        LEU  63   6.759   4.326 -10.588
  464    HA   LEU  63           HA       LEU  63   5.767   3.711  -7.901
  465   1HB   LEU  63          1HB       LEU  63   8.507   2.836  -8.393
  466   2HB   LEU  63          2HB       LEU  63   7.197   2.046  -7.538
  467    HG   LEU  63           HG       LEU  63   7.875   0.662  -9.372
  468   1HD1  LEU  63          1HD1      LEU  63   5.246   1.569  -8.989
  469   2HD1  LEU  63          2HD1      LEU  63   5.475   1.484 -10.752
  470   3HD1  LEU  63          3HD1      LEU  63   5.776   0.047  -9.745
  471   1HD2  LEU  63          1HD2      LEU  63   8.234   3.145 -10.742
  472   2HD2  LEU  63          2HD2      LEU  63   8.733   1.508 -11.231
  473   3HD2  LEU  63          3HD2      LEU  63   7.127   2.123 -11.690
  474    H    ALA  64           H        ALA  64   6.671   6.100  -9.820
  475    HA   ALA  64           HA       ALA  64   8.872   7.174  -8.308
  476   1HB   ALA  64          1HB       ALA  64   7.325   7.825 -10.767
  477   2HB   ALA  64          2HB       ALA  64   7.991   9.215  -9.876
  478   3HB   ALA  64          3HB       ALA  64   9.075   7.926 -10.454
  479    H    LEU  65           H        LEU  65   5.354   7.904  -8.811
  480    HA   LEU  65           HA       LEU  65   5.082  10.100  -7.276
  481   1HB   LEU  65          1HB       LEU  65   3.397   8.557  -8.585
  482   2HB   LEU  65          2HB       LEU  65   3.081   7.898  -6.992
  483    HG   LEU  65           HG       LEU  65   2.886  10.569  -6.472
  484   1HD1  LEU  65          1HD1      LEU  65   3.054  11.525  -8.556
  485   2HD1  LEU  65          2HD1      LEU  65   2.255  10.159  -9.373
  486   3HD1  LEU  65          3HD1      LEU  65   1.292  11.311  -8.417
  487   1HD2  LEU  65          1HD2      LEU  65   0.740   8.627  -7.359
  488   2HD2  LEU  65          2HD2      LEU  65   1.292   8.967  -5.701
  489   3HD2  LEU  65          3HD2      LEU  65   0.409  10.211  -6.619
  490    H    LEU  66           H        LEU  66   6.021   6.885  -6.236
  491    HA   LEU  66           HA       LEU  66   5.250   6.614  -3.718
  492   1HB   LEU  66          1HB       LEU  66   7.682   5.998  -5.219
  493   2HB   LEU  66          2HB       LEU  66   7.959   6.130  -3.494
  494    HG   LEU  66           HG       LEU  66   6.399   4.387  -3.007
  495   1HD1  LEU  66          1HD1      LEU  66   4.632   3.860  -4.249
  496   2HD1  LEU  66          2HD1      LEU  66   5.080   5.210  -5.320
  497   3HD1  LEU  66          3HD1      LEU  66   5.640   3.561  -5.685
  498   1HD2  LEU  66          1HD2      LEU  66   8.626   3.664  -3.705
  499   2HD2  LEU  66          2HD2      LEU  66   7.385   2.481  -4.183
  500   3HD2  LEU  66          3HD2      LEU  66   8.081   3.581  -5.397
  501    H    LYS  67           H        LYS  67   7.614   9.055  -4.895
  502    HA   LYS  67           HA       LYS  67   8.694  10.023  -2.669
  503   1HB   LYS  67          1HB       LYS  67   8.184  12.365  -3.829
  504   2HB   LYS  67          2HB       LYS  67   9.343  11.225  -4.482
  505   1HG   LYS  67          1HG       LYS  67   8.025  10.710  -6.298
  506   2HG   LYS  67          2HG       LYS  67   6.540  10.751  -5.368
  507   1HD   LYS  67          1HD       LYS  67   6.196  13.013  -5.736
  508   2HD   LYS  67          2HD       LYS  67   7.907  13.389  -5.736
  509   1HE   LYS  67          1HE       LYS  67   7.984  12.058  -8.002
  510   2HE   LYS  67          2HE       LYS  67   6.241  12.240  -8.003
  511   1HZ   LYS  67          1HZ       LYS  67   7.548  14.673  -7.400
  512   2HZ   LYS  67          2HZ       LYS  67   8.036  14.080  -8.841
  513   3HZ   LYS  67          3HZ       LYS  67   6.449  14.351  -8.564
  514    H    GLN  68           H        GLN  68   5.389  11.002  -3.828
  515    HA   GLN  68           HA       GLN  68   4.777  12.568  -1.688
  516   1HB   GLN  68          1HB       GLN  68   3.210  11.021  -3.718
  517   2HB   GLN  68          2HB       GLN  68   2.321  11.579  -2.315
  518   1HG   GLN  68          1HG       GLN  68   2.336  13.729  -3.052
  519   2HG   GLN  68          2HG       GLN  68   4.070  13.702  -3.307
  520   1HE2  GLN  68          1HE2      GLN  68   4.633  12.038  -5.195
  521   2HE2  GLN  68          2HE2      GLN  68   3.809  12.348  -6.687
  522    H    ILE  69           H        ILE  69   4.297   9.007  -2.115
  523    HA   ILE  69           HA       ILE  69   2.895   8.487   0.178
  524    HB   ILE  69           HB       ILE  69   5.008   6.833  -1.205
  525   1HG1  ILE  69          1HG1      ILE  69   3.272   7.420  -2.745
  526   2HG1  ILE  69          2HG1      ILE  69   3.042   5.747  -2.275
  527   1HG2  ILE  69          1HG2      ILE  69   2.820   5.551   0.344
  528   2HG2  ILE  69          2HG2      ILE  69   4.501   5.032   0.072
  529   3HG2  ILE  69          3HG2      ILE  69   4.143   6.296   1.274
  530   1HD1  ILE  69          1HD1      ILE  69   1.311   8.099  -1.777
  531   2HD1  ILE  69          2HD1      ILE  69   0.888   6.372  -1.853
  532   3HD1  ILE  69          3HD1      ILE  69   1.546   7.061  -0.350
  533    H    LYS  70           H        LYS  70   6.496   8.093  -0.153
  534    HA   LYS  70           HA       LYS  70   6.935   7.870   2.576
  535   1HB   LYS  70          1HB       LYS  70   8.448   7.794   0.208
  536   2HB   LYS  70          2HB       LYS  70   9.174   9.066   1.169
  537   1HG   LYS  70          1HG       LYS  70   8.450   6.594   2.684
  538   2HG   LYS  70          2HG       LYS  70   9.718   6.389   1.492
  539   1HD   LYS  70          1HD       LYS  70  10.176   8.858   2.963
  540   2HD   LYS  70          2HD       LYS  70   9.941   7.545   4.099
  541   1HE   LYS  70          1HE       LYS  70  12.238   7.358   3.695
  542   2HE   LYS  70          2HE       LYS  70  11.611   6.224   2.515
  543   1HZ   LYS  70          1HZ       LYS  70  12.033   9.034   1.823
  544   2HZ   LYS  70          2HZ       LYS  70  13.247   7.946   1.727
  545   3HZ   LYS  70          3HZ       LYS  70  11.902   7.752   0.820
  546    H    GLN  71           H        GLN  71   6.801  10.738   0.409
  547    HA   GLN  71           HA       GLN  71   7.724  12.546   2.294
  548   1HB   GLN  71          1HB       GLN  71   7.464  12.899  -0.214
  549   2HB   GLN  71          2HB       GLN  71   5.742  13.101   0.045
  550   1HG   GLN  71          1HG       GLN  71   6.936  14.802   1.962
  551   2HG   GLN  71          2HG       GLN  71   7.930  15.001   0.532
  552   1HE2  GLN  71          1HE2      GLN  71   4.465  14.348   1.036
  553   2HE2  GLN  71          2HE2      GLN  71   3.853  15.688   0.126
  554    H    ARG  72           H        ARG  72   4.668  10.869   1.951
  555    HA   ARG  72           HA       ARG  72   3.362  12.794   3.660
  556   1HB   ARG  72          1HB       ARG  72   2.506  10.723   1.728
  557   2HB   ARG  72          2HB       ARG  72   1.572  10.669   3.210
  558   1HG   ARG  72          1HG       ARG  72   0.549  12.200   1.527
  559   2HG   ARG  72          2HG       ARG  72   0.987  13.049   2.996
  560   1HD   ARG  72          1HD       ARG  72   3.123  12.949   0.903
  561   2HD   ARG  72          2HD       ARG  72   1.701  13.880   0.473
  562    HE   ARG  72           HE       ARG  72   3.576  14.461   2.700
  563   1HH1  ARG  72          2HH2      ARG  72   0.607  15.290   1.004
  564   2HH1  ARG  72          1HH2      ARG  72   0.508  16.878   1.689
  565   1HH2  ARG  72          2HH1      ARG  72   3.447  16.555   3.604
  566   2HH2  ARG  72          1HH1      ARG  72   2.134  17.602   3.178
  567    H    HIS  73           H        HIS  73   4.252   9.284   3.493
  568    HA   HIS  73           HA       HIS  73   4.139   9.257   6.413
  569   1HB   HIS  73          1HB       HIS  73   3.332   6.827   6.144
  570   2HB   HIS  73          2HB       HIS  73   2.170   8.127   5.965
  571    HD1  HIS  73          1HD       HIS  73   2.725   5.042   4.513
  572    HD2  HIS  73          2HD       HIS  73   2.349   8.876   2.855
  573    HE1  HIS  73          1HE       HIS  73   2.058   4.703   2.074
  574    HA   PRO  74           HA       PRO  74   8.101   7.766   4.770
  575   1HB   PRO  74          1HB       PRO  74   9.739   9.524   6.072
  576   2HB   PRO  74          2HB       PRO  74   9.173   9.776   4.432
  577   1HG   PRO  74          1HG       PRO  74   8.287  11.099   6.922
  578   2HG   PRO  74          2HG       PRO  74   8.057  11.615   5.264
  579   1HD   PRO  74          1HD       PRO  74   6.097  10.403   6.971
  580   2HD   PRO  74          2HD       PRO  74   5.903  10.813   5.278
  581    H    MET  75           H        MET  75   6.952   6.079   6.217
  582    HA   MET  75           HA       MET  75   8.894   5.142   7.908
  583   1HB   MET  75          1HB       MET  75   8.363   6.959   9.458
  584   2HB   MET  75          2HB       MET  75   6.639   6.706   9.266
  585   1HG   MET  75          1HG       MET  75   6.609   4.829  10.658
  586   2HG   MET  75          2HG       MET  75   8.252   4.366  10.259
  587   1HE   MET  75          1HE       MET  75   9.923   4.435  11.610
  588   2HE   MET  75          2HE       MET  75  10.507   6.097  11.359
  589   3HE   MET  75          3HE       MET  75  10.263   5.479  13.010
  590    H    LEU  76           H        LEU  76   5.449   5.394   7.029
  591    HA   LEU  76           HA       LEU  76   4.481   3.098   8.195
  592   1HB   LEU  76          1HB       LEU  76   3.709   4.965   6.128
  593   2HB   LEU  76          2HB       LEU  76   3.242   3.333   5.691
  594    HG   LEU  76           HG       LEU  76   1.995   3.088   7.780
  595   1HD1  LEU  76          1HD1      LEU  76   3.259   4.393   9.318
  596   2HD1  LEU  76          2HD1      LEU  76   3.001   5.879   8.373
  597   3HD1  LEU  76          3HD1      LEU  76   1.636   5.117   9.223
  598   1HD2  LEU  76          1HD2      LEU  76   0.890   4.011   5.772
  599   2HD2  LEU  76          2HD2      LEU  76   0.170   4.600   7.290
  600   3HD2  LEU  76          3HD2      LEU  76   1.253   5.655   6.351
  601    HA   PRO  77           HA       PRO  77   6.651  -0.007   6.086
  602   1HB   PRO  77          1HB       PRO  77   5.319  -2.180   7.073
  603   2HB   PRO  77          2HB       PRO  77   6.616  -1.377   7.936
  604   1HG   PRO  77          1HG       PRO  77   3.705  -1.260   8.437
  605   2HG   PRO  77          2HG       PRO  77   5.021  -0.830   9.511
  606   1HD   PRO  77          1HD       PRO  77   3.336   0.976   8.052
  607   2HD   PRO  77          2HD       PRO  77   4.725   1.400   9.033
  608    H    VAL  78           H        VAL  78   5.275   1.302   4.297
  609    HA   VAL  78           HA       VAL  78   3.132  -0.149   3.215
  610    HB   VAL  78           HB       VAL  78   5.024   1.942   2.153
  611   1HG1  VAL  78          1HG1      VAL  78   4.296   0.522   0.267
  612   2HG1  VAL  78          2HG1      VAL  78   2.598   0.802   0.724
  613   3HG1  VAL  78          3HG1      VAL  78   3.608   2.162   0.177
  614   1HG2  VAL  78          1HG2      VAL  78   3.631   3.351   3.173
  615   2HG2  VAL  78          2HG2      VAL  78   2.288   2.745   2.174
  616   3HG2  VAL  78          3HG2      VAL  78   2.644   1.984   3.744
  617    H    ILE  79           H        ILE  79   3.042  -1.535   1.355
  618    HA   ILE  79           HA       ILE  79   5.626  -2.813   0.785
  619    HB   ILE  79           HB       ILE  79   2.915  -4.136   0.806
  620   1HG1  ILE  79          1HG1      ILE  79   4.695  -5.034   2.895
  621   2HG1  ILE  79          2HG1      ILE  79   4.442  -3.306   3.038
  622   1HG2  ILE  79          1HG2      ILE  79   4.732  -6.118   1.092
  623   2HG2  ILE  79          2HG2      ILE  79   4.078  -5.580  -0.474
  624   3HG2  ILE  79          3HG2      ILE  79   5.658  -4.979   0.084
  625   1HD1  ILE  79          1HD1      ILE  79   2.712  -5.175   4.031
  626   2HD1  ILE  79          2HD1      ILE  79   2.215  -3.532   3.557
  627   3HD1  ILE  79          3HD1      ILE  79   1.987  -4.891   2.430
  628    H    ILE  80           H        ILE  80   2.291  -2.185  -0.506
  629    HA   ILE  80           HA       ILE  80   1.625  -1.541  -2.517
  630    HB   ILE  80           HB       ILE  80   4.446  -0.741  -2.534
  631   1HG1  ILE  80          1HG1      ILE  80   1.799   0.429  -2.630
  632   2HG1  ILE  80          2HG1      ILE  80   3.327   1.150  -2.166
  633   1HG2  ILE  80          1HG2      ILE  80   3.008  -1.019  -5.187
  634   2HG2  ILE  80          2HG2      ILE  80   4.619  -0.318  -4.901
  635   3HG2  ILE  80          3HG2      ILE  80   4.344  -2.057  -4.635
  636   1HD1  ILE  80          1HD1      ILE  80   2.417   2.346  -4.105
  637   2HD1  ILE  80          2HD1      ILE  80   3.890   1.476  -4.595
  638   3HD1  ILE  80          3HD1      ILE  80   2.289   0.823  -5.019
  639    H    MET  81           H        MET  81   1.463  -2.364  -4.795
  640    HA   MET  81           HA       MET  81   2.365  -5.134  -4.808
  641   1HB   MET  81          1HB       MET  81   0.116  -3.805  -6.417
  642   2HB   MET  81          2HB       MET  81   0.424  -5.527  -6.314
  643   1HG   MET  81          1HG       MET  81  -0.608  -5.719  -4.271
  644   2HG   MET  81          2HG       MET  81   0.112  -4.244  -3.658
  645   1HE   MET  81          1HE       MET  81  -0.766  -1.771  -5.172
  646   2HE   MET  81          2HE       MET  81  -2.314  -1.503  -4.336
  647   3HE   MET  81          3HE       MET  81  -0.917  -2.144  -3.438
  648    H    THR  82           H        THR  82   3.116  -6.080  -6.853
  649    HA   THR  82           HA       THR  82   3.760  -4.179  -8.965
  650    HB   THR  82           HB       THR  82   6.151  -4.710  -8.859
  651    HG1  THR  82          1HG       THR  82   6.602  -6.130  -6.792
  652   1HG2  THR  82          1HG2      THR  82   5.541  -2.943  -7.233
  653   2HG2  THR  82          2HG2      THR  82   5.049  -4.179  -6.050
  654   3HG2  THR  82          3HG2      THR  82   6.761  -4.018  -6.508
  655    H    ALA  83           H        ALA  83   4.535  -5.272 -10.955
  656    HA   ALA  83           HA       ALA  83   3.252  -7.904 -11.119
  657   1HB   ALA  83          1HB       ALA  83   2.957  -5.544 -12.622
  658   2HB   ALA  83          2HB       ALA  83   3.912  -6.633 -13.657
  659   3HB   ALA  83          3HB       ALA  83   2.330  -7.159 -13.032
  660    H    HIS  84           H        HIS  84   5.827  -7.737  -9.921
  661    HA   HIS  84           HA       HIS  84   7.725  -8.851 -10.019
  662   1HB   HIS  84          1HB       HIS  84   6.965  -9.709 -12.825
  663   2HB   HIS  84          2HB       HIS  84   8.235 -10.401 -11.835
  664    HD1  HIS  84          1HD       HIS  84   7.512 -12.615 -10.959
  665    HD2  HIS  84          2HD       HIS  84   4.345  -9.866 -11.064
  666    HE1  HIS  84          1HE       HIS  84   5.476 -13.834 -10.022
  667    H    SER  85           H        SER  85   7.072  -7.417 -13.299
  668    HA   SER  85           HA       SER  85   9.769  -6.513 -13.429
  669   1HB   SER  85          1HB       SER  85   7.573  -6.912 -15.253
  670   2HB   SER  85          2HB       SER  85   8.108  -5.251 -15.416
  671    HG   SER  85           HG       SER  85   9.220  -7.020 -16.742
  672    H    ASP  86           H        ASP  86   7.308  -5.516 -11.536
  673    HA   ASP  86           HA       ASP  86   7.934  -2.698 -11.957
  674   1HB   ASP  86          1HB       ASP  86   5.508  -3.729 -10.446
  675   2HB   ASP  86          2HB       ASP  86   5.757  -2.131 -11.119
  676    H    LEU  87           H        LEU  87   9.234  -5.012 -10.328
  677    HA   LEU  87           HA       LEU  87   8.884  -3.867  -7.649
  678   1HB   LEU  87          1HB       LEU  87   8.283  -6.194  -7.776
  679   2HB   LEU  87          2HB       LEU  87   9.801  -6.598  -8.552
  680    HG   LEU  87           HG       LEU  87  11.041  -6.327  -6.582
  681   1HD1  LEU  87          1HD1      LEU  87  10.607  -4.401  -5.498
  682   2HD1  LEU  87          2HD1      LEU  87   8.856  -4.494  -5.801
  683   3HD1  LEU  87          3HD1      LEU  87   9.582  -5.441  -4.481
  684   1HD2  LEU  87          1HD2      LEU  87   8.361  -7.514  -5.815
  685   2HD2  LEU  87          2HD2      LEU  87   9.749  -8.365  -6.534
  686   3HD2  LEU  87          3HD2      LEU  87   9.868  -7.701  -4.887
  687    H    ASP  88           H        ASP  88  11.059  -4.388 -10.364
  688    HA   ASP  88           HA       ASP  88  13.452  -4.144  -8.991
  689   1HB   ASP  88          1HB       ASP  88  12.611  -4.446 -11.655
  690   2HB   ASP  88          2HB       ASP  88  13.416  -2.889 -11.666
  691    H    ALA  89           H        ALA  89  10.874  -1.929  -9.510
  692    HA   ALA  89           HA       ALA  89  12.651   0.396  -9.323
  693   1HB   ALA  89          1HB       ALA  89  10.011   1.265  -9.669
  694   2HB   ALA  89          2HB       ALA  89  11.263   1.150 -10.929
  695   3HB   ALA  89          3HB       ALA  89  10.128  -0.198 -10.677
  696    H    ALA  90           H        ALA  90  10.749  -1.765  -7.476
  697    HA   ALA  90           HA       ALA  90  10.256   0.296  -5.445
  698   1HB   ALA  90          1HB       ALA  90   9.103  -2.410  -5.095
  699   2HB   ALA  90          2HB       ALA  90   8.341  -0.810  -4.926
  700   3HB   ALA  90          3HB       ALA  90   8.531  -1.540  -6.539
  701    H    VAL  91           H        VAL  91  12.049  -2.623  -6.303
  702    HA   VAL  91           HA       VAL  91  12.898  -3.011  -3.554
  703    HB   VAL  91           HB       VAL  91  12.876  -4.540  -6.068
  704   1HG1  VAL  91          1HG1      VAL  91  15.298  -4.314  -5.804
  705   2HG1  VAL  91          2HG1      VAL  91  15.181  -4.864  -4.115
  706   3HG1  VAL  91          3HG1      VAL  91  14.779  -5.978  -5.444
  707   1HG2  VAL  91          1HG2      VAL  91  11.586  -4.835  -3.781
  708   2HG2  VAL  91          2HG2      VAL  91  12.105  -6.249  -4.729
  709   3HG2  VAL  91          3HG2      VAL  91  13.056  -5.726  -3.319
  710    H    SER  92           H        SER  92  13.981  -1.635  -6.648
  711    HA   SER  92           HA       SER  92  16.443  -0.888  -5.274
  712   1HB   SER  92          1HB       SER  92  16.559  -2.598  -7.274
  713   2HB   SER  92          2HB       SER  92  16.279  -1.194  -8.285
  714    HG   SER  92           HG       SER  92  18.442  -1.517  -6.383
  715    H    ALA  93           H        ALA  93  14.800   0.933  -4.666
  716    HA   ALA  93           HA       ALA  93  15.465   3.240  -6.019
  717   1HB   ALA  93          1HB       ALA  93  14.055   3.394  -7.759
  718   2HB   ALA  93          2HB       ALA  93  13.466   1.751  -7.409
  719   3HB   ALA  93          3HB       ALA  93  12.662   3.160  -6.676
  720    H    TYR  94           H        TYR  94  15.605   2.716  -3.424
  721    HA   TYR  94           HA       TYR  94  13.676   4.522  -2.306
  722   1HB   TYR  94          1HB       TYR  94  12.805   1.985  -2.394
  723   2HB   TYR  94          2HB       TYR  94  13.983   1.710  -1.127
  724    HD1  TYR  94          1HD       TYR  94  13.747   2.906   1.075
  725    HD2  TYR  94          2HD       TYR  94  10.712   3.056  -1.936
  726    HE1  TYR  94          1HE       TYR  94  12.058   3.687   2.807
  727    HE2  TYR  94          2HE       TYR  94   9.033   3.837  -0.195
  728    HH   TYR  94           HH       TYR  94   9.712   3.702   3.151
  729    H    GLN  95           H        GLN  95  14.451   5.510  -0.423
  730    HA   GLN  95           HA       GLN  95  17.197   5.342  -0.034
  731   1HB   GLN  95          1HB       GLN  95  14.983   6.954   0.898
  732   2HB   GLN  95          2HB       GLN  95  15.975   6.520   2.276
  733   1HG   GLN  95          1HG       GLN  95  18.014   7.316   1.030
  734   2HG   GLN  95          2HG       GLN  95  16.990   7.797  -0.308
  735   1HE2  GLN  95          1HE2      GLN  95  18.715   9.445   1.268
  736   2HE2  GLN  95          2HE2      GLN  95  17.756  10.665   2.038
  737    H    GLN  96           H        GLN  96  14.767   4.870   2.615
  738    HA   GLN  96           HA       GLN  96  16.573   2.973   3.792
  739   1HB   GLN  96          1HB       GLN  96  14.659   4.854   4.760
  740   2HB   GLN  96          2HB       GLN  96  14.069   3.274   5.236
  741   1HG   GLN  96          1HG       GLN  96  15.518   3.980   7.013
  742   2HG   GLN  96          2HG       GLN  96  16.422   2.769   6.125
  743   1HE2  GLN  96          1HE2      GLN  96  16.111   6.107   6.972
  744   2HE2  GLN  96          2HE2      GLN  96  17.608   6.685   6.320
  745    H    GLY  97           H        GLY  97  16.143   1.515   1.796
  746   1HA   GLY  97          1HA       GLY  97  13.775   0.312   1.174
  747   2HA   GLY  97          2HA       GLY  97  15.341  -0.471   1.097
  748    H    ALA  98           H        ALA  98  12.308  -0.924   2.254
  749    HA   ALA  98           HA       ALA  98  13.097  -2.966   4.027
  750   1HB   ALA  98          1HB       ALA  98  11.521  -0.982   5.573
  751   2HB   ALA  98          2HB       ALA  98  12.844  -2.052   6.096
  752   3HB   ALA  98          3HB       ALA  98  13.213  -0.526   5.257
  753    H    PHE  99           H        PHE  99  11.532  -2.600   1.611
  754    HA   PHE  99           HA       PHE  99   8.829  -3.061   2.650
  755   1HB   PHE  99          1HB       PHE  99  10.082  -2.018   0.071
  756   2HB   PHE  99          2HB       PHE  99   8.482  -2.728  -0.010
  757    HD1  PHE  99          1HD       PHE  99   7.126  -0.888  -0.490
  758    HD2  PHE  99          2HD       PHE  99   9.898  -0.631   2.713
  759    HE1  PHE  99          1HE       PHE  99   6.118   1.303   0.206
  760    HE2  PHE  99          2HE       PHE  99   8.890   1.560   3.409
  761    HZ   PHE  99           HZ       PHE  99   7.013   2.501   2.147
  762    H    ASP 100           H        ASP 100   7.683  -4.404   0.516
  763    HA   ASP 100           HA       ASP 100   9.390  -6.582  -0.190
  764   1HB   ASP 100          1HB       ASP 100   7.086  -6.852   1.768
  765   2HB   ASP 100          2HB       ASP 100   7.504  -8.197   0.725
  766    H    TYR 101           H        TYR 101   7.660  -4.342  -1.354
  767    HA   TYR 101           HA       TYR 101   5.340  -4.584  -2.326
  768   1HB   TYR 101          1HB       TYR 101   7.686  -4.864  -4.289
  769   2HB   TYR 101          2HB       TYR 101   6.239  -3.905  -4.522
  770    HD1  TYR 101          1HD       TYR 101   6.047  -1.676  -3.605
  771    HD2  TYR 101          2HD       TYR 101   9.476  -4.087  -2.746
  772    HE1  TYR 101          1HE       TYR 101   7.260   0.362  -2.692
  773    HE2  TYR 101          2HE       TYR 101  10.678  -2.040  -1.836
  774    HH   TYR 101           HH       TYR 101  10.240   0.727  -2.453
  775    H    LEU 102           H        LEU 102   4.297  -6.609  -2.004
  776    HA   LEU 102           HA       LEU 102   5.063  -9.058  -2.779
  777   1HB   LEU 102          1HB       LEU 102   2.329  -7.789  -2.925
  778   2HB   LEU 102          2HB       LEU 102   2.608  -9.503  -3.161
  779    HG   LEU 102           HG       LEU 102   3.858  -9.188  -0.788
  780   1HD1  LEU 102          1HD1      LEU 102   3.351  -7.343   0.333
  781   2HD1  LEU 102          2HD1      LEU 102   2.564  -6.710  -1.134
  782   3HD1  LEU 102          3HD1      LEU 102   1.610  -7.606   0.072
  783   1HD2  LEU 102          1HD2      LEU 102   1.110  -9.966  -1.603
  784   2HD2  LEU 102          2HD2      LEU 102   2.373 -10.895  -0.759
  785   3HD2  LEU 102          3HD2      LEU 102   1.392  -9.710   0.136
  786    HA   PRO 103           HA       PRO 103   5.489  -8.906  -7.085
  787   1HB   PRO 103          1HB       PRO 103   5.800 -11.575  -7.584
  788   2HB   PRO 103          2HB       PRO 103   7.109 -10.542  -7.044
  789   1HG   PRO 103          1HG       PRO 103   5.577 -12.550  -5.508
  790   2HG   PRO 103          2HG       PRO 103   7.129 -11.830  -5.130
  791   1HD   PRO 103          1HD       PRO 103   4.600 -11.177  -3.944
  792   2HD   PRO 103          2HD       PRO 103   6.132 -10.379  -3.652
  793    H    LYS 104           H        LYS 104   3.048  -8.204  -6.651
  794    HA   LYS 104           HA       LYS 104   1.003  -9.898  -7.122
  795   1HB   LYS 104          1HB       LYS 104  -0.108  -7.976  -7.048
  796   2HB   LYS 104          2HB       LYS 104   1.416  -7.114  -7.107
  797   1HG   LYS 104          1HG       LYS 104   1.274  -7.510  -9.711
  798   2HG   LYS 104          2HG       LYS 104  -0.418  -7.850  -9.411
  799   1HD   LYS 104          1HD       LYS 104  -0.415  -5.578  -8.085
  800   2HD   LYS 104          2HD       LYS 104   1.091  -5.259  -8.921
  801   1HE   LYS 104          1HE       LYS 104  -1.413  -6.096 -10.438
  802   2HE   LYS 104          2HE       LYS 104  -1.112  -4.418 -10.031
  803   1HZ   LYS 104          1HZ       LYS 104   0.498  -6.166 -11.736
  804   2HZ   LYS 104          2HZ       LYS 104  -0.173  -4.723 -12.106
  805   3HZ   LYS 104          3HZ       LYS 104   1.120  -4.791 -11.111
  806    HA   PRO 105           HA       PRO 105  -0.739 -10.009  -8.144
  807   1HB   PRO 105          1HB       PRO 105  -2.070 -12.211  -9.065
  808   2HB   PRO 105          2HB       PRO 105  -2.324 -10.600  -9.707
  809   1HG   PRO 105          1HG       PRO 105  -0.845 -12.862 -10.906
  810   2HG   PRO 105          2HG       PRO 105  -1.467 -11.420 -11.685
  811   1HD   PRO 105          1HD       PRO 105   1.263 -11.948 -10.980
  812   2HD   PRO 105          2HD       PRO 105   0.623 -10.462 -11.652
  813    H    PHE 106           H        PHE 106  -1.280 -10.962  -6.182
  814    HA   PHE 106           HA       PHE 106   0.117 -13.472  -5.686
  815   1HB   PHE 106          1HB       PHE 106   0.909 -12.410  -3.494
  816   2HB   PHE 106          2HB       PHE 106   1.641 -11.687  -4.912
  817    HD1  PHE 106          1HD       PHE 106   1.512  -9.384  -5.245
  818    HD2  PHE 106          2HD       PHE 106  -1.171 -11.224  -2.521
  819    HE1  PHE 106          1HE       PHE 106   0.713  -7.122  -4.504
  820    HE2  PHE 106          2HE       PHE 106  -1.970  -8.962  -1.780
  821    HZ   PHE 106           HZ       PHE 106  -1.018  -6.939  -2.780
  822    H    ASP 107           H        ASP 107  -0.429 -13.878  -3.045
  823    HA   ASP 107           HA       ASP 107  -3.257 -14.197  -3.149
  824   1HB   ASP 107          1HB       ASP 107  -0.978 -15.290  -1.641
  825   2HB   ASP 107          2HB       ASP 107  -2.337 -14.957  -0.586
  826    H    ILE 108           H        ILE 108  -4.356 -12.237  -2.717
  827    HA   ILE 108           HA       ILE 108  -3.550 -10.103  -1.313
  828    HB   ILE 108           HB       ILE 108  -5.984 -11.135  -2.314
  829   1HG1  ILE 108          1HG1      ILE 108  -6.602  -8.748  -2.389
  830   2HG1  ILE 108          2HG1      ILE 108  -5.246  -8.355  -1.352
  831   1HG2  ILE 108          1HG2      ILE 108  -6.248 -10.015   0.488
  832   2HG2  ILE 108          2HG2      ILE 108  -7.589 -10.187  -0.669
  833   3HG2  ILE 108          3HG2      ILE 108  -6.730 -11.631  -0.081
  834   1HD1  ILE 108          1HD1      ILE 108  -5.061  -8.252  -4.035
  835   2HD1  ILE 108          2HD1      ILE 108  -3.673  -8.712  -3.020
  836   3HD1  ILE 108          3HD1      ILE 108  -4.649  -9.970  -3.816
  837    H    ASP 109           H        ASP 109  -5.085 -13.074   0.071
  838    HA   ASP 109           HA       ASP 109  -5.299 -12.260   2.635
  839   1HB   ASP 109          1HB       ASP 109  -5.668 -14.611   1.312
  840   2HB   ASP 109          2HB       ASP 109  -4.193 -15.016   2.167
  841    H    GLU 110           H        GLU 110  -2.437 -13.558   0.848
  842    HA   GLU 110           HA       GLU 110  -0.776 -13.768   3.069
  843   1HB   GLU 110          1HB       GLU 110  -0.539 -13.942   0.137
  844   2HB   GLU 110          2HB       GLU 110   0.907 -13.289   0.881
  845   1HG   GLU 110          1HG       GLU 110   1.226 -15.660   0.877
  846   2HG   GLU 110          2HG       GLU 110   0.815 -15.258   2.533
  847    H    ALA 111           H        ALA 111  -1.708 -11.059   0.968
  848    HA   ALA 111           HA       ALA 111   0.425  -9.367   1.865
  849   1HB   ALA 111          1HB       ALA 111  -1.020  -7.632   0.642
  850   2HB   ALA 111          2HB       ALA 111  -0.400  -8.984  -0.336
  851   3HB   ALA 111          3HB       ALA 111  -2.093  -8.986   0.214
  852    H    VAL 112           H        VAL 112  -3.002 -10.019   2.693
  853    HA   VAL 112           HA       VAL 112  -3.244  -7.788   4.423
  854    HB   VAL 112           HB       VAL 112  -4.823 -10.365   4.395
  855   1HG1  VAL 112          1HG1      VAL 112  -5.178  -7.679   5.645
  856   2HG1  VAL 112          2HG1      VAL 112  -6.626  -8.475   4.984
  857   3HG1  VAL 112          3HG1      VAL 112  -5.653  -9.291   6.231
  858   1HG2  VAL 112          1HG2      VAL 112  -4.459  -8.769   2.200
  859   2HG2  VAL 112          2HG2      VAL 112  -5.901  -9.766   2.507
  860   3HG2  VAL 112          3HG2      VAL 112  -5.905  -8.038   2.936
  861    H    ALA 113           H        ALA 113  -2.459 -11.290   4.857
  862    HA   ALA 113           HA       ALA 113  -2.357 -11.238   7.640
  863   1HB   ALA 113          1HB       ALA 113  -2.401 -13.372   6.743
  864   2HB   ALA 113          2HB       ALA 113  -1.266 -12.963   5.434
  865   3HB   ALA 113          3HB       ALA 113  -0.663 -13.215   7.090
  866    H    LEU 114           H        LEU 114  -0.079 -10.171   5.124
  867    HA   LEU 114           HA       LEU 114   2.205 -10.083   6.752
  868   1HB   LEU 114          1HB       LEU 114   2.929  -9.877   4.668
  869   2HB   LEU 114          2HB       LEU 114   1.389  -9.277   4.087
  870    HG   LEU 114           HG       LEU 114   2.059  -7.007   5.056
  871   1HD1  LEU 114          1HD1      LEU 114   3.919  -8.050   6.461
  872   2HD1  LEU 114          2HD1      LEU 114   4.867  -8.109   4.955
  873   3HD1  LEU 114          3HD1      LEU 114   4.300  -6.545   5.588
  874   1HD2  LEU 114          1HD2      LEU 114   3.901  -6.864   3.064
  875   2HD2  LEU 114          2HD2      LEU 114   3.043  -8.359   2.623
  876   3HD2  LEU 114          3HD2      LEU 114   2.139  -6.838   2.816
  877    H    VAL 115           H        VAL 115  -0.094  -7.453   5.737
  878    HA   VAL 115           HA       VAL 115   0.971  -5.420   7.194
  879    HB   VAL 115           HB       VAL 115  -1.328  -5.928   5.715
  880   1HG1  VAL 115          1HG1      VAL 115  -3.116  -4.829   7.099
  881   2HG1  VAL 115          2HG1      VAL 115  -2.655  -6.459   7.644
  882   3HG1  VAL 115          3HG1      VAL 115  -2.060  -5.027   8.518
  883   1HG2  VAL 115          1HG2      VAL 115  -0.504  -3.901   5.179
  884   2HG2  VAL 115          2HG2      VAL 115  -1.597  -3.299   6.449
  885   3HG2  VAL 115          3HG2      VAL 115   0.116  -3.609   6.822
  886    H    GLU 116           H        GLU 116  -1.452  -7.882   8.304
  887    HA   GLU 116           HA       GLU 116  -1.800  -6.903  10.819
  888   1HB   GLU 116          1HB       GLU 116  -2.053  -9.585   9.515
  889   2HB   GLU 116          2HB       GLU 116  -2.026  -9.582  11.268
  890   1HG   GLU 116          1HG       GLU 116  -3.803  -7.583   9.862
  891   2HG   GLU 116          2HG       GLU 116  -4.316  -9.258   9.910
  892    H    ARG 117           H        ARG 117   1.053  -8.274   9.400
  893    HA   ARG 117           HA       ARG 117   2.123  -8.832  12.039
  894   1HB   ARG 117          1HB       ARG 117   3.341 -10.500  11.053
  895   2HB   ARG 117          2HB       ARG 117   2.300 -10.275   9.661
  896   1HG   ARG 117          1HG       ARG 117   3.940  -8.470   8.855
  897   2HG   ARG 117          2HG       ARG 117   5.015  -8.970  10.145
  898   1HD   ARG 117          1HD       ARG 117   5.050 -11.296   9.225
  899   2HD   ARG 117          2HD       ARG 117   3.956 -10.811   7.944
  900    HE   ARG 117           HE       ARG 117   6.086  -9.001   7.778
  901   1HH1  ARG 117          2HH2      ARG 117   5.731 -12.498   7.616
  902   2HH1  ARG 117          1HH2      ARG 117   7.093 -12.716   6.569
  903   1HH2  ARG 117          2HH1      ARG 117   7.883  -9.287   6.397
  904   2HH2  ARG 117          1HH1      ARG 117   8.326 -10.877   5.871
  905    H    ALA 118           H        ALA 118   2.074  -6.511   9.473
  906    HA   ALA 118           HA       ALA 118   4.698  -5.445  10.151
  907   1HB   ALA 118          1HB       ALA 118   3.113  -3.904   8.251
  908   2HB   ALA 118          2HB       ALA 118   4.682  -4.712   8.024
  909   3HB   ALA 118          3HB       ALA 118   3.171  -5.624   7.796
  910    H    ILE 119           H        ILE 119   1.196  -4.834  10.513
  911    HA   ILE 119           HA       ILE 119   1.513  -2.185  11.467
  912    HB   ILE 119           HB       ILE 119  -0.713  -4.199  11.448
  913   1HG1  ILE 119          1HG1      ILE 119  -0.530  -1.460  10.171
  914   2HG1  ILE 119          2HG1      ILE 119   0.009  -2.925   9.374
  915   1HG2  ILE 119          1HG2      ILE 119  -2.180  -2.357  12.333
  916   2HG2  ILE 119          2HG2      ILE 119  -1.072  -3.086  13.520
  917   3HG2  ILE 119          3HG2      ILE 119  -0.696  -1.498  12.809
  918   1HD1  ILE 119          1HD1      ILE 119  -2.149  -3.043   8.627
  919   2HD1  ILE 119          2HD1      ILE 119  -2.490  -3.705  10.244
  920   3HD1  ILE 119          3HD1      ILE 119  -2.752  -1.975   9.917
  921    H    SER 120           H        SER 120   2.116  -5.325  12.797
  922    HA   SER 120           HA       SER 120   1.800  -4.323  15.491
  923   1HB   SER 120          1HB       SER 120   2.412  -7.087  14.368
  924   2HB   SER 120          2HB       SER 120   2.433  -6.740  16.085
  925    HG   SER 120           HG       SER 120   0.330  -7.115  16.025
  926    H    HIS 121           H        HIS 121   4.278  -5.748  13.262
  927    HA   HIS 121           HA       HIS 121   6.396  -5.568  15.070
  928   1HB   HIS 121          1HB       HIS 121   7.670  -6.378  13.373
  929   2HB   HIS 121          2HB       HIS 121   6.087  -6.798  12.749
  930    HD1  HIS 121          1HD       HIS 121   5.343  -3.853  11.734
  931    HD2  HIS 121          2HD       HIS 121   8.888  -5.939  10.914
  932    HE1  HIS 121          1HE       HIS 121   6.284  -2.847   9.587
  933    H    TYR 122           H        TYR 122   4.575  -3.139  13.459
  934    HA   TYR 122           HA       TYR 122   6.499  -1.232  12.876
  935   1HB   TYR 122          1HB       TYR 122   4.539   0.080  12.625
  936   2HB   TYR 122          2HB       TYR 122   3.798  -1.507  12.676
  937    HD1  TYR 122          1HD       TYR 122   3.367  -2.357  15.240
  938    HD2  TYR 122          2HD       TYR 122   3.558   1.714  13.938
  939    HE1  TYR 122          1HE       TYR 122   1.988  -1.641  17.252
  940    HE2  TYR 122          2HE       TYR 122   2.178   2.416  15.955
  941    HH   TYR 122           HH       TYR 122   1.845   1.367  18.360
  942    H    GLN 123           H        GLN 123   5.184  -2.332  15.981
  943    HA   GLN 123           HA       GLN 123   6.088  -0.010  17.356
  944   1HB   GLN 123          1HB       GLN 123   4.119  -1.278  18.140
  945   2HB   GLN 123          2HB       GLN 123   5.100  -2.711  18.372
  946   1HG   GLN 123          1HG       GLN 123   6.540  -0.898  19.853
  947   2HG   GLN 123          2HG       GLN 123   4.928  -0.237  20.042
  948   1HE2  GLN 123          1HE2      GLN 123   6.964  -1.872  21.698
  949   2HE2  GLN 123          2HE2      GLN 123   6.009  -3.097  22.466
  950    H    GLU 124           H        GLU 124   8.331  -0.403  16.200
  951    HA   GLU 124           HA       GLU 124   9.949  -1.778  18.172
  952   1HB   GLU 124          1HB       GLU 124   9.454  -2.917  15.681
  953   2HB   GLU 124          2HB       GLU 124  10.970  -2.081  15.410
  954   1HG   GLU 124          1HG       GLU 124  12.145  -3.526  16.738
  955   2HG   GLU 124          2HG       GLU 124  10.924  -3.510  17.996